X5LV34_CAEEL Loading...

DH domain-containing protein

AlphaFold DB , UniProt , Accession X5LV34, Species CAEEL (Caenorhabditis elegans), Gene exc-5, Length 861 aa.

						>X5LV34_CAEEL|X5LV34|exc-5
MQTGRPPPFFKQMHYPHGPQSNEWNDFVPSFLAPKMSSLVQLPSQPSSAFQLDFDAVRNFQNVPPVDLEGGTLIDATEEEEIDPVDGCTVRVFTYRILSADEMEELTKTVRQKIKFDCTQTMRSLKMIGSEANVVEKSQRISGDIKGMKPIEFSNNSKQICLDQHSLQLDPNDEQDQQISRVLNQVPNTFMSLLSREKDMFVKLYPELFEKMRTESSLIPSTTTEIITNPDGSTTTRVKSSKSYSSHFSRQETYVNGVKKMSKSKFRAFVEYKGPDGGFQVKLSDGDEFELSEDEQEDDDTSLSQSCYSEIDSESDITGPSPKTDLDKRYQKAWYAAKELVDSEQRYVDKLKLLGDTFRNRLIKEELITNDKITRLLANVSSLYQFHNTHFLPQLLESIRDWHTTKRIANVVRKQAPFLKMYSEYTNNYDRATKLFEELKKKKKFADVVKEIEKQAECEGLPLGHHLICPVQRVMRYQLLLQEYKKHLQPSDVDFDDTTVALELVLQAAAHANEMMKKLDRFGKVIEVQEQLGNSISLVSPGRELLKSGSVQKISSTTEKTEERFIFLFNDLVILASERKMIGVSKYKLRAVFSASHMQVCEGDNLEREHSFYLRGSDGTGPKRCVELFTPTQKEKNDWVDSIFSIIDEAKAHSLTFTSSSRSSISENNNNSIESKHCADCDIEFGFLSRGSKCVKCSRRLCKKCFGRRRNESKKHRICDTCTKNMDLDGIPRSFSTQSNMRRNLLQLPAKGSGVLHSSQIRFRGSLGKLLDRFMVVRDDFCMYTYSSEEDICALAMLPLPGCEVKMCGEKFTFSVRVGARRMYTMTAEDEQTQMKWLAILDLAANAHLKNQRNSGSEQSE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	38.6	Very low	233 Å²	233	154.6 Å²	154.6	100%	1.148	81%	0.807	S	S	*	*				0	149.9	0	-66.5	160.6	88.2	0	0	107.7
2	Q	38.7	Very low	38	Very low	177 Å²	177	154.9 Å²	154.9	83%	0.827	80%	0.801	S	S	*	*			trans	52.6	104.7	170.9	-64.9	169.5	-6.8	0	0	116.6
3	T	35.6	Very low	37.6	Very low	141 Å²	141	154.9 Å²	154.9	87%	0.865	80%	0.798	S	S	*	*				61.9	135.4	68.6	69.7	0	0	0	0	114
4	G	41.5	Very low	37.4	Very low	80 Å²	80	154.4 Å²	154.4	83%	0.825	79%	0.79	S	S	*	*			cis	-151.2	-149.2	19.5	0	0	0	0	0	116.2
5	R	32.9	Very low	37	Very low	248 Å²	248	158.1 Å²	158.1	94%	0.936	79%	0.792	S	S	*	*			trans	-129.3	-178.7	-163.7	-114.9	-160.8	178.8	-172.1	1.8	111.8
6	P	50.1	Low	37.3	Very low	107 Å²	107	154.1 Å²	154.1	70%	0.695	78%	0.781	S	S	*	*			trans	-87.5	-146	-166	43.4	-43	0	0	0	111.2
7	P	42.4	Very low	37.3	Very low	116 Å²	116	156.2 Å²	156.2	75%	0.753	79%	0.786	S	S	*	*			cis	-131.7	-111.3	0.6	26.3	2.9	0	0	0	119.7
8	P	45.3	Very low	37	Very low	96 Å²	96	151.1 Å²	151.1	62%	0.623	78%	0.78	S	S	*	*				-126.1	-176	-115.3	41.4	-24.2	0	0	0	116.1
9	F	34.5	Very low	37.1	Very low	172 Å²	172	149.6 Å²	149.6	75%	0.754	78%	0.781	S	S	*	*				168.7	150.4	124.8	-104.5	-71.5	0	0	0	118.3
10	F	31.7	Very low	37	Very low	159 Å²	159	151.1 Å²	151.1	70%	0.697	78%	0.783	S	S	*	*			trans	81.4	136.1	138.3	-92.4	-51.3	0	0	0	127.8
11	K	33.9	Very low	36.6	Very low	172 Å²	172	148.1 Å²	148.1	75%	0.748	78%	0.776	S	S	*	*			trans	75.9	159.3	145.5	-71.9	178	178.4	178.2	0	121.1
12	Q	31.4	Very low	36.4	Very low	158 Å²	158	143.1 Å²	143.1	74%	0.738	75%	0.754	S	S	*	*			cis	-174.5	176.2	-43.3	-152	163.7	2.1	0	0	109.3
13	M	32.6	Very low	35.9	Very low	155 Å²	155	143 Å²	143	76%	0.764	75%	0.754	S	S	*	*			trans	79.5	151.6	166.3	-65.5	169.4	164.2	0	0	117.6
14	H	35.6	Very low	35.7	Very low	148 Å²	148	148 Å²	148	69%	0.685	76%	0.757	S	S	*	*			cis	-150.7	144.3	-4.3	-120.6	-61.9	0	0	0	113.4
15	Y	30.9	Very low	35.1	Very low	209 Å²	209	150.4 Å²	150.4	82%	0.82	75%	0.75	S	S	*	*			trans	-22.5	179.6	155.2	-70.2	-100.6	0	0	0	121.6
16	P	42	Very low	35	Very low	94 Å²	94	144.8 Å²	144.8	61%	0.61	74%	0.739	S	S	*	*			cis	-146	-168.6	-50	44.3	-25.9	0	0	0	114.8
17	H	37.7	Very low	34.1	Very low	190 Å²	190	149.5 Å²	149.5	88%	0.88	75%	0.749	S	S	*	*				168.7	154.7	129	-93.4	-76	0	0	0	112.9
18	G	31.5	Very low	33.5	Very low	65 Å²	65	149.7 Å²	149.7	67%	0.67	75%	0.748	S	S	*	*			trans	-137.6	-140.4	175.3	0	0	0	0	0	110.5
19	P	39.9	Very low	33	Very low	123 Å²	123	150.2 Å²	150.2	80%	0.799	75%	0.751	S	S	*	*			cis	-141.3	-138.2	-13.8	42.7	-20.9	0	0	0	112.6
20	Q	34.7	Very low	32.9	Very low	178 Å²	178	146.1 Å²	146.1	83%	0.832	74%	0.744	S	S	*	*			trans	90.5	152.9	170.8	-60	-179.3	-13.4	0	0	118.4
21	S	28.2	Very low	33	Very low	89 Å²	89	147.3 Å²	147.3	62%	0.622	75%	0.749	S	S	*	*				167	177.5	-53.2	59.2	0	0	0	0	110.8
22	N	33.9	Very low	33	Very low	129 Å²	129	147.1 Å²	147.1	69%	0.69	76%	0.755	S	S	*	*			trans	84.9	116.6	175.8	-42.2	-0	0	0	0	113
23	E	28.7	Very low	33	Very low	175 Å²	175	144 Å²	144	82%	0.818	76%	0.757	S	S	*	*			cis	74.2	130.1	45	-60.6	-173.2	141.4	0	0	115
24	W	30.1	Very low	33.1	Very low	245 Å²	245	141.9 Å²	141.9	93%	0.928	75%	0.754	S	S	*	*				-174.6	161.1	129.7	-96.2	106.2	0	0	0	110.6
25	N	28.7	Very low	32.8	Very low	130 Å²	130	143.5 Å²	143.5	70%	0.695	76%	0.759	S	S	*	*			trans	-122.3	170.2	-155	-92.8	6.4	0	0	0	115.9
26	D	30.5	Very low	32.6	Very low	130 Å²	130	141.7 Å²	141.7	70%	0.695	76%	0.76	S	S	*	*			trans	62.1	126.6	150.8	-60.4	-36.7	0	0	0	121.5
27	F	32.8	Very low	32	Very low	207 Å²	207	141.9 Å²	141.9	91%	0.908	76%	0.764	S	S	*	*				-162	145.3	114.1	-115	-77.6	0	0	0	112.2
28	V	29.4	Very low	31.5	Very low	119 Å²	119	137.7 Å²	137.7	72%	0.721	76%	0.756	S	S	*	*			trans	-147.8	140.5	-168.8	173.7	0	0	0	0	105.4
29	P	35.6	Very low	31.4	Very low	107 Å²	107	142.7 Å²	142.7	70%	0.695	77%	0.766	S	S	*	*				-159.7	167.8	71.2	45.5	-23.9	0	0	0	121
30	S	32.3	Very low	30.7	Very low	87 Å²	87	143.3 Å²	143.3	61%	0.608	77%	0.768	S	S	*	*			trans	35.6	140.8	143.3	66	0	0	0	0	121.9
31	F	32.7	Very low	30.3	Very low	184 Å²	184	143.7 Å²	143.7	81%	0.807	77%	0.769	S	S	*	*				-166.5	160.9	55.8	-115.3	-74.9	0	0	0	114.3
32	L	34.4	Very low	30.3	Very low	168 Å²	168	147.5 Å²	147.5	88%	0.88	78%	0.782	S	S	*	*			trans	71.6	149.5	164.9	-60.2	173.9	0	0	0	118.8
33	A	31.5	Very low	30	Very low	92 Å²	92	146.5 Å²	146.5	76%	0.76	78%	0.782	S	S	*	*			trans	-153.7	-166.7	-165.8	0	0	0	0	0	109.2
34	P	35.1	Very low	30.2	Very low	110 Å²	110	143.2 Å²	143.2	71%	0.714	78%	0.779	S	S	*	*			cis	-138.2	179.9	-12.7	32.3	-10.4	0	0	0	115.8
35	K	28.9	Very low	30.2	Very low	182 Å²	182	140.3 Å²	140.3	79%	0.791	78%	0.776	S	S	*	*			trans	107.8	125.3	149.1	-65.3	-176.4	178.4	179.8	0	121.2
36	M	27	Very low	30.6	Very low	171 Å²	171	139.4 Å²	139.4	84%	0.842	78%	0.777	S	S	*	*			trans	84.4	123.6	136	-77.3	170.6	156.2	0	0	123.1
37	S	27.9	Very low	30.6	Very low	99 Å²	99	138.4 Å²	138.4	69%	0.692	78%	0.78	S	S	*	*			trans	52.6	111.4	141.6	63.6	0	0	0	0	122.6
38	S	28	Very low	30.4	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	78%	0.777	S	S	*	*				62.8	154.9	125.4	70.8	0	0	0	0	122.9
39	L	28.5	Very low	30.5	Very low	170 Å²	170	132.7 Å²	132.7	89%	0.89	78%	0.777	S	S	*	*			trans	83.4	153.1	156.4	-80.8	162.1	0	0	0	119.8
40	V	26.8	Very low	30.5	Very low	136 Å²	136	135.6 Å²	135.6	82%	0.824	78%	0.778	S	S	*	*			trans	-83.6	147.8	-164.4	173	0	0	0	0	111.7
41	Q	25.8	Very low	30.9	Very low	186 Å²	186	139.8 Å²	139.8	87%	0.869	79%	0.788	S	S	*	*			trans	-75.4	131.3	175	-58.8	164.2	-85.2	0	0	112.4
42	L	27.2	Very low	31.6	Very low	169 Å²	169	134.5 Å²	134.5	89%	0.885	77%	0.768	S	S	*	*			trans	-157	140	148.9	-95.8	-179.8	0	0	0	109.5
43	P	27.4	Very low	32.4	Very low	108 Å²	108	131 Å²	131	70%	0.701	75%	0.751	S	S	*	*			trans	-100.7	165.1	-173	37.5	-35.5	0	0	0	116.1
44	S	33.1	Very low	33.4	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	73%	0.732	S	S	*	*			trans	56.8	106.7	166.9	49.3	0	0	0	0	117.6
45	Q	30.6	Very low	34.3	Very low	183 Å²	183	129.5 Å²	129.5	86%	0.855	72%	0.72	S	S	*	*			cis	78.7	147.5	36.3	-65.6	-152.6	-8.7	0	0	117
46	P	37.8	Very low	35.5	Very low	112 Å²	112	123.2 Å²	123.2	73%	0.727	70%	0.702	S	S	*	*			cis	-145.7	172.1	-50	40.9	-23.7	0	0	0	114.6
47	S	28.9	Very low	36.9	Very low	109 Å²	109	118 Å²	118	76%	0.762	68%	0.68	S	S	*	*	S	Bend	trans	-161.3	119.6	144.9	62.7	0	0	0	0	113.3
48	S	29.5	Very low	38.1	Very low	119 Å²	119	119.7 Å²	119.7	83%	0.832	67%	0.671	S	S	*	*			trans	39.7	73.9	165.8	65.3	0	0	0	0	118
49	A	31.9	Very low	39.5	Very low	87 Å²	87	120.4 Å²	120.4	72%	0.719	67%	0.667	S	S	*	*			trans	-69.3	138	147.8	0	0	0	0	0	108.8	Q51	A49-Q51 PolarHBondContact O-N 3.12Å
50	F	34.8	Very low	40.8	Very low	167 Å²	167	118.7 Å²	118.7	73%	0.732	65%	0.652	S	S	*	*			trans	-80	59.5	172.8	-149.3	-81.2	0	0	0	110.2	L52	F50-L52 HydrophobicContact CD1-CG 4.35Å; F50-L52 HydrophobicContact CE1-CD2 4.36Å; F50-L52 HydrophobicContact CE1-CG 4.23Å; F50-L52 PolarHBondContact O-N 2.78Å; F50-L52 VanDerWaalsContact O-N 3.16Å
51	Q	42.2	Very low	42.1	Very low	175 Å²	175	119.5 Å²	119.5	82%	0.818	65%	0.647	S	S	*	*			trans	-79.7	94.7	176.5	-174.5	169.1	-6.1	0	0	108.1	A49 D53	A49-Q51 PolarHBondContact O-N 3.12Å; Q51-D53 PolarHBondContact O-N 2.61Å; Q51-D53 VanDerWaalsContact O-N 3.17Å
52	L	46.2	Very low	43.9	Very low	74 Å²	74	115.5 Å²	115.5	39%	0.387	63%	0.632	S	S	.	*			trans	-56	119.4	168.4	-84.2	164.3	0	0	0	108.6	F50 F54	F50-L52 HydrophobicContact CD1-CG 4.35Å; F50-L52 HydrophobicContact CE1-CD2 4.36Å; F50-L52 HydrophobicContact CE1-CG 4.23Å; F50-L52 PolarHBondContact O-N 2.78Å; F50-L52 VanDerWaalsContact O-N 3.16Å; L52-F54 VanDerWaalsContact C-N 3.28Å; L52-F54 HydrophobicContact CB-CD2 4.34Å; L52-F54 HydrophobicContact CB-CE2 4.01Å; L52-F54 HydrophobicContact CB-CZ 4.31Å; L52-F54 WeakPolarHBondContact O-CD2 3.08Å; L52-F54 PolarHBondContact O-N 2.94Å
53	D	51.2	Low	45.9	Very low	94 Å²	94	111.4 Å²	111.4	50%	0.503	61%	0.614	S	S	.	*			trans	-73.6	87.6	171.6	-174.4	-10.3	0	0	0	108.6	Q51 D55 A56 V57	Q51-D53 PolarHBondContact O-N 2.61Å; Q51-D53 VanDerWaalsContact O-N 3.17Å; D53-D55 PolarHBondContact O-N 3.33Å; D53-D55 WeakPolarHBondContact OD1-CA 3.48Å; D53-D55 WeakPolarHBondContact OD1-CB 3.33Å; D53-D55 PolarHBondContact OD1-N 3.16Å; D53-A56 HydrophobicContact CB-CB 3.83Å; D53-A56 VanDerWaalsContact CG-CB 3.47Å; D53-A56 PolarHBondContact O-N 2.89Å; D53-A56 PolarHBondContact OD1-N 2.94Å; D53-A56 WeakPolarHBondContact OD2-CB 3.4Å; D53-V57 PolarHBondContact O-N 3.08Å; D53-V57 VanDerWaalsContact O-N 3.16Å
54	F	52.8	Low	48.2	Very low	83 Å²	83	107.1 Å²	107.1	36%	0.364	59%	0.586	S	S	.	*	H	α-helix	trans	-60.6	-23.6	176	-73.2	-82.7	0	0	0	112.2	L52 R58 F116 I145	L52-F54 VanDerWaalsContact C-N 3.28Å; L52-F54 HydrophobicContact CB-CD2 4.34Å; L52-F54 HydrophobicContact CB-CE2 4.01Å; L52-F54 HydrophobicContact CB-CZ 4.31Å; L52-F54 WeakPolarHBondContact O-CD2 3.08Å; L52-F54 PolarHBondContact O-N 2.94Å; F54-R58 WeakPolarHBondContact O-CB 3.21Å; F54-R58 VanDerWaalsContact O-CD 3.3Å; F54-R58 WeakPolarHBondContact O-CD 3.33Å; F54-R58 WeakPolarHBondContact O-CG 2.85Å; F54-R58 PolarHBondContact O-N 2.85Å; F54-F116 HydrophobicContact CE1-CD1 4.31Å; F54-F116 HydrophobicContact CE1-CE1 4.43Å; F54-I145 HydrophobicContact CD1-CG1 4.35Å
55	D	53.4	Low	50.5	Low	87 Å²	87	108.2 Å²	108.2	47%	0.465	59%	0.59	S	S	.	*	H	α-helix	trans	-78.6	-35.8	175.9	-68.8	-40.3	0	0	0	111.6	D53 V57 R58 N59	D53-D55 PolarHBondContact O-N 3.33Å; D53-D55 WeakPolarHBondContact OD1-CA 3.48Å; D53-D55 WeakPolarHBondContact OD1-CB 3.33Å; D53-D55 PolarHBondContact OD1-N 3.16Å; D55-V57 VanDerWaalsContact C-N 3.31Å; D55-V57 PolarHBondContact O-N 2.98Å; D55-R58 PolarHBondContact O-N 2.67Å; D55-R58 WeakPolarHBondContact OD1-CD 3.03Å; D55-R58 IonicContact OD1-CZ 3.51Å; D55-R58 IonicContact OD1-NE 2.66Å; D55-R58 IonicContact OD1-NH1 3.08Å; D55-R58 PolarHBondContact OD1-NH1 3.12Å; D55-N59 VanDerWaalsContact O-CB 3.29Å; D55-N59 WeakPolarHBondContact O-CB 3.34Å; D55-N59 PolarHBondContact O-N 2.94Å; D55-N59 PolarHBondContact O-ND2 2.92Å
56	A	55.3	Low	53	Low	50 Å²	50	101.1 Å²	101.1	41%	0.413	56%	0.56	S	S	.	*	H	α-helix	trans	-60.6	-38.1	167.7	0	0	0	0	0	112.7	D53 N59	D53-A56 HydrophobicContact CB-CB 3.83Å; D53-A56 VanDerWaalsContact CG-CB 3.47Å; D53-A56 PolarHBondContact O-N 2.89Å; D53-A56 PolarHBondContact OD1-N 2.94Å; D53-A56 WeakPolarHBondContact OD2-CB 3.4Å; A56-N59 PolarHBondContact O-N 3.2Å
57	V	55.1	Low	55.3	Low	63 Å²	63	101 Å²	101	38%	0.382	55%	0.552	S	S	.	*	H	α-helix	trans	-80.4	-26.8	177.3	-166.7	0	0	0	0	112.2	D53 D55 N59 F60 I145	D53-V57 PolarHBondContact O-N 3.08Å; D53-V57 VanDerWaalsContact O-N 3.16Å; D55-V57 VanDerWaalsContact C-N 3.31Å; D55-V57 PolarHBondContact O-N 2.98Å; V57-N59 VanDerWaalsContact C-N 3.34Å; V57-F60 VanDerWaalsContact O-CB 3.3Å; V57-F60 WeakPolarHBondContact O-CB 3.48Å; V57-F60 PolarHBondContact O-N 2.92Å; V57-I145 HydrophobicContact CB-CD1 3.74Å; V57-I145 HydrophobicContact CG1-CD1 3.47Å; V57-I145 VanDerWaalsContact CG1-CD1 3.47Å
58	R	54	Low	58	Low	134 Å²	134	98.4 Å²	98.4	51%	0.506	53%	0.53	S	S	.	.	H	α-helix	trans	-66.1	-36.5	166.5	-77	158.9	174.4	179.9	-3.7	112	F54 D55 F60 I145	F54-R58 WeakPolarHBondContact O-CB 3.21Å; F54-R58 VanDerWaalsContact O-CD 3.3Å; F54-R58 WeakPolarHBondContact O-CD 3.33Å; F54-R58 WeakPolarHBondContact O-CG 2.85Å; F54-R58 PolarHBondContact O-N 2.85Å; D55-R58 PolarHBondContact O-N 2.67Å; D55-R58 WeakPolarHBondContact OD1-CD 3.03Å; D55-R58 IonicContact OD1-CZ 3.51Å; D55-R58 IonicContact OD1-NE 2.66Å; D55-R58 IonicContact OD1-NH1 3.08Å; D55-R58 PolarHBondContact OD1-NH1 3.12Å; R58-F60 PolarHBondContact O-N 3.36Å; R58-I145 HydrophobicContact CG-CD1 4.4Å; R58-I145 HydrophobicContact CG-CG1 4.41Å
59	N	57	Low	60.6	Low	115 Å²	115	98.4 Å²	98.4	62%	0.615	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	10	177.6	-69.6	-30.6	0	0	0	113.7	D55 A56 V57 Q61	D55-N59 VanDerWaalsContact O-CB 3.29Å; D55-N59 WeakPolarHBondContact O-CB 3.34Å; D55-N59 PolarHBondContact O-N 2.94Å; D55-N59 PolarHBondContact O-ND2 2.92Å; A56-N59 PolarHBondContact O-N 3.2Å; V57-N59 VanDerWaalsContact C-N 3.34Å; N59-Q61 PolarHBondContact O-N 3.45Å
60	F	55	Low	63	Low	134 Å²	134	97.4 Å²	97.4	59%	0.588	52%	0.515	S	S	*	.			trans	-75.5	63.5	174.1	-139.8	-90	0	0	0	110.9	V57 R58 N62	V57-F60 VanDerWaalsContact O-CB 3.3Å; V57-F60 WeakPolarHBondContact O-CB 3.48Å; V57-F60 PolarHBondContact O-N 2.92Å; R58-F60 PolarHBondContact O-N 3.36Å; F60-N62 PolarHBondContact O-N 2.9Å
61	Q	55.7	Low	65.5	Low	153 Å²	153	90 Å²	90	72%	0.715	49%	0.485	S	S	*	.			trans	-72	36.5	-172.8	-67.6	-170.5	-31.9	0	0	114.6	N59 V63	N59-Q61 PolarHBondContact O-N 3.45Å; Q61-V63 VanDerWaalsContact C-N 3.3Å; Q61-V63 PolarHBondContact O-N 3.4Å
62	N	62.5	Low	67.8	Low	103 Å²	103	86 Å²	86	55%	0.551	47%	0.473	S	S	*	.			trans	-73.9	88.2	168.9	-72.6	-3.3	0	0	0	109.3	F60 Q112	F60-N62 PolarHBondContact O-N 2.9Å; N62-Q112 PolarHBondContact O-NE2 3.03Å
63	V	70.2	Confident	69.8	Low	83 Å²	83	86.2 Å²	86.2	50%	0.503	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-48.3	120.4	153.8	177.2	0	0	0	0	106.5	Q61 F93 Y95	Q61-V63 VanDerWaalsContact C-N 3.3Å; Q61-V63 PolarHBondContact O-N 3.4Å; V63-F93 HydrophobicContact CB-CE1 4.39Å; V63-F93 HydrophobicContact CG1-CD1 4.19Å; V63-F93 HydrophobicContact CG1-CE1 4.16Å; V63-F93 HydrophobicContact CG2-CE1 4.17Å; V63-Y95 HydrophobicContact CG1-CE1 4.15Å; V63-Y95 WeakPolarHBondContact CG1-OH 3.48Å
64	P	75.6	Confident	71.7	Confident	18 Å²	18	85.9 Å²	85.9	12%	0.117	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-65.6	139.5	-171.2	23	-30.4	0	0	0	110.4	V66 F93 Y95 V110	P64-V66 PolarHBondContact O-N 2.75Å; P64-F93 VanDerWaalsContact CD-CD2 3.43Å; P64-F93 HydrophobicContact CG-CB 4.43Å; P64-F93 HydrophobicContact CG-CD2 3.49Å; P64-F93 VanDerWaalsContact CG-CD2 3.49Å; P64-F93 HydrophobicContact CG-CE2 3.79Å; P64-F93 HydrophobicContact CG-CG 3.97Å; P64-F93 HydrophobicContact CG-CZ 4.48Å; P64-Y95 WeakPolarHBondContact CD-OH 3.1Å; P64-Y95 WeakPolarHBondContact CG-OH 3.34Å; P64-Y95 PolarHBondContact O-OH 3.37Å; P64-V110 HydrophobicContact CB-CG1 3.88Å; P64-V110 HydrophobicContact CG-CB 4.07Å; P64-V110 HydrophobicContact CG-CG1 3.64Å
65	P	81	Confident	73.5	Confident	130 Å²	130	85.5 Å²	85.5	84%	0.844	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-62.6	128	178.4	26.9	-34.1	0	0	0	109.8
66	V	83.1	Confident	75.2	Confident	34 Å²	34	83.6 Å²	83.6	21%	0.206	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-100.1	134	169.7	67.6	0	0	0	0	108.8	P64 L68 Y95 I97 K108	P64-V66 PolarHBondContact O-N 2.75Å; V66-L68 HydrophobicContact CG1-CD2 3.85Å; V66-L68 PolarHBondContact O-N 2.9Å; V66-Y95 HydrophobicContact CB-CD1 4.13Å; V66-Y95 HydrophobicContact CB-CD2 3.75Å; V66-Y95 HydrophobicContact CB-CE1 4.3Å; V66-Y95 HydrophobicContact CB-CE2 3.93Å; V66-Y95 HydrophobicContact CB-CG 3.86Å; V66-Y95 HydrophobicContact CG1-CD1 3.62Å; V66-Y95 HydrophobicContact CG1-CD2 4.16Å; V66-Y95 HydrophobicContact CG1-CE1 3.98Å; V66-Y95 HydrophobicContact CG1-CE2 4.47Å; V66-Y95 HydrophobicContact CG1-CG 3.73Å; V66-Y95 HydrophobicContact CG2-CD2 3.77Å; V66-Y95 HydrophobicContact CG2-CE2 4.36Å; V66-Y95 HydrophobicContact CG2-CG 3.95Å; V66-I97 HydrophobicContact CG2-CD1 3.94Å; V66-K108 HydrophobicContact CG2-CB 3.88Å; V66-K108 HydrophobicContact CG2-CD 3.7Å; V66-K108 HydrophobicContact CG2-CG 4.42Å
67	D	85.7	Confident	76.9	Confident	108 Å²	108	84.5 Å²	84.5	58%	0.578	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-72.8	122.8	167.1	-176.4	0.2	0	0	0	108.6	E69 K108	D67-E69 VanDerWaalsContact C-N 3.32Å; D67-E69 PolarHBondContact OD1-N 2.64Å; D67-K108 WeakPolarHBondContact O-CD 3.28Å; D67-K108 PolarHBondContact O-NZ 2.83Å
68	L	86.9	Confident	78.5	Confident	56 Å²	56	85.9 Å²	85.9	29%	0.293	47%	0.472	S	S	.	.			trans	-83.3	-6.9	179.1	-59.7	177.6	0	0	0	113	V66 G70 G71 L73 I97	V66-L68 HydrophobicContact CG1-CD2 3.85Å; V66-L68 PolarHBondContact O-N 2.9Å; L68-G70 PolarHBondContact O-N 2.61Å; L68-G70 VanDerWaalsContact O-N 3.15Å; L68-G71 WeakPolarHBondContact CB-O 3.32Å; L68-G71 WeakPolarHBondContact O-CA 3.05Å; L68-G71 PolarHBondContact O-N 2.89Å; L68-L73 HydrophobicContact CD2-CB 4.06Å; L68-L73 HydrophobicContact CD2-CD1 4.27Å; L68-I97 HydrophobicContact CB-CG2 4.32Å; L68-I97 HydrophobicContact CD2-CD1 3.92Å; L68-I97 HydrophobicContact CD2-CG1 3.81Å; L68-I97 HydrophobicContact CD2-CG2 4.04Å
69	E	83.4	Confident	80.2	Confident	119 Å²	119	85.2 Å²	85.2	56%	0.556	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	30.8	-176.8	-75.1	169.1	-154.4	0	0	113.3	D67 G71 K108	D67-E69 VanDerWaalsContact C-N 3.32Å; D67-E69 PolarHBondContact OD1-N 2.64Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-K108 VanDerWaalsContact OE1-CE 3.29Å; E69-K108 WeakPolarHBondContact OE1-CE 3.43Å; E69-K108 IonicContact OE1-NZ 2.76Å; E69-K108 PolarHBondContact OE1-NZ 3.41Å
70	G	82.5	Confident	81.6	Confident	66 Å²	66	85.2 Å²	85.2	68%	0.68	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-4.6	-175.1	0	0	0	0	0	115	L68 A100	L68-G70 PolarHBondContact O-N 2.61Å; L68-G70 VanDerWaalsContact O-N 3.15Å; G70-A100 WeakPolarHBondContact O-CB 3.33Å
71	G	87.8	Confident	83.1	Confident	10 Å²	10	81.9 Å²	81.9	10%	0.103	46%	0.458	C	S	.	.			trans	-80	-177.5	177.6	0	0	0	0	0	115.6	L68 E69 L98	L68-G71 WeakPolarHBondContact CB-O 3.32Å; L68-G71 WeakPolarHBondContact O-CA 3.05Å; L68-G71 PolarHBondContact O-N 2.89Å; E69-G71 VanDerWaalsContact C-N 3.32Å; G71-L98 CarbonylContact C-O 3.59Å; G71-L98 WeakPolarHBondContact CA-O 3.25Å
72	T	88.6	Confident	84.3	Confident	93 Å²	93	78.6 Å²	78.6	57%	0.571	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.2	178.7	-60.9	0	0	0	0	110.8	I74 I97 L98	T72-I74 PolarHBondContact O-N 3.47Å; T72-I97 CarbonylContact O-C 3.57Å; T72-I97 WeakPolarHBondContact O-CA 3.39Å; T72-L98 PolarHBondContact N-O 2.88Å; T72-L98 PolarHBondContact O-N 3.33Å
73	L	90	Very high	85	Confident	78 Å²	78	75.5 Å²	75.5	41%	0.408	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.6	175.8	-173.5	70.7	0	0	0	111	L68 D75 A76 Y95 I97	L68-L73 HydrophobicContact CD2-CB 4.06Å; L68-L73 HydrophobicContact CD2-CD1 4.27Å; L73-D75 WeakPolarHBondContact CD1-O 3.28Å; L73-A76 HydrophobicContact CD2-CB 4.4Å; L73-Y95 HydrophobicContact CD1-CD1 3.92Å; L73-Y95 HydrophobicContact CD1-CG 4.42Å; L73-I97 HydrophobicContact CD1-CG1 4.17Å
74	I	90.7	Very high	85.4	Confident	86 Å²	86	77.9 Å²	77.9	44%	0.441	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-50.4	176.6	-56.7	166.1	0	0	0	110.2	T72 R96 L98 E105	T72-I74 PolarHBondContact O-N 3.47Å; I74-R96 HydrophobicContact CB-CB 4.12Å; I74-R96 WeakPolarHBondContact CB-O 3.48Å; I74-R96 HydrophobicContact CD1-CB 4.47Å; I74-R96 PolarHBondContact N-O 3.35Å; I74-L98 HydrophobicContact CD1-CB 3.89Å; I74-L98 HydrophobicContact CG1-CB 3.93Å; I74-E105 HydrophobicContact CD1-CG 4Å; I74-E105 WeakPolarHBondContact CD1-OE1 3.39Å
75	D	90.9	Very high	85.3	Confident	75 Å²	75	83.4 Å²	83.4	40%	0.401	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	156.2	-172.7	-173.2	21.9	0	0	0	110.6	L73 Y95 R96	L73-D75 WeakPolarHBondContact CD1-O 3.28Å; D75-Y95 WeakPolarHBondContact O-CA 3.45Å; D75-R96 HydrophobicContact CB-CB 4.29Å; D75-R96 PolarHBondContact N-O 3.03Å; D75-R96 PolarHBondContact O-N 3.05Å
76	A	88.9	Confident	85.1	Confident	48 Å²	48	78.7 Å²	78.7	40%	0.397	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	104	177.2	0	0	0	0	0	110.3	L73 T94 Y95	L73-A76 HydrophobicContact CD2-CB 4.4Å; A76-T94 WeakPolarHBondContact CA-O 3.45Å; A76-Y95 HydrophobicContact CB-CD1 3.66Å; A76-Y95 HydrophobicContact CB-CE1 3.9Å
77	T	90.2	Very high	84.6	Confident	68 Å²	68	78.3 Å²	78.3	42%	0.417	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	148.2	177.9	57.8	0	0	0	0	111.6	F93 T94	T77-F93 CarbonylContact O-C 3.5Å; T77-F93 VanDerWaalsContact O-CA 3.29Å; T77-F93 WeakPolarHBondContact O-CA 3.33Å; T77-T94 PolarHBondContact N-O 2.9Å; T77-T94 PolarHBondContact O-N 3.25Å; T77-T94 PolarHBondContact OG1-O 2.83Å
78	E	89.5	Confident	84.1	Confident	92 Å²	92	73.3 Å²	73.3	43%	0.43	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.6	171.9	-177.6	179.5	160.4	0	0	109.7	R91 V92 F93	E78-R91 IonicContact OE1-CZ 2.91Å; E78-R91 IonicContact OE1-NE 3.88Å; E78-R91 PolarHBondContact OE1-NE 3.47Å; E78-R91 IonicContact OE1-NH2 2.73Å; E78-R91 PolarHBondContact OE1-NH2 3.16Å; E78-R91 IonicContact OE2-CZ 2.66Å; E78-R91 IonicContact OE2-NE 2.92Å; E78-R91 IonicContact OE2-NH2 3.61Å; E78-R91 PolarHBondContact OE2-NH2 3.03Å; E78-V92 WeakPolarHBondContact CA-O 3.44Å; E78-F93 HydrophobicContact CB-CD1 4.16Å; E78-F93 HydrophobicContact CB-CE1 4.14Å; E78-F93 HydrophobicContact CG-CD1 4.24Å; E78-F93 HydrophobicContact CG-CE1 3.91Å; E78-F93 HydrophobicContact CG-CZ 4.32Å; E78-F93 WeakPolarHBondContact OE2-CE1 3.38Å
79	E	88.8	Confident	83.5	Confident	120 Å²	120	71 Å²	71	56%	0.561	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	164.8	171.8	65.4	-175.6	168.1	0	0	111.4	V92	E79-V92 HydrophobicContact CG-CB 3.74Å; E79-V92 HydrophobicContact CG-CG1 4.46Å; E79-V92 HydrophobicContact CG-CG2 4.33Å; E79-V92 PolarHBondContact N-O 3.42Å; E79-V92 PolarHBondContact O-N 3.48Å
80	E	85.8	Confident	83.4	Confident	116 Å²	116	65.6 Å²	65.6	54%	0.542	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129	-178.9	-61.5	-167	-168.5	0	0	111.7	T89 V90 K146	E80-T89 HydrophobicContact CB-CG2 4.28Å; E80-T89 WeakPolarHBondContact OE2-CG2 3.46Å; E80-V90 WeakPolarHBondContact CA-O 3.45Å; E80-K146 IonicContact OE1-NZ 3.66Å; E80-K146 PolarHBondContact OE1-NZ 2.95Å; E80-K146 IonicContact OE2-NZ 2.65Å; E80-K146 PolarHBondContact OE2-NZ 2.94Å
81	E	87.4	Confident	83.6	Confident	63 Å²	63	64.1 Å²	64.1	29%	0.294	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	165.9	172.7	69	-179.8	170.9	0	0	111.2	T89 V90 V92 R111	E81-T89 CarbonylContact O-C 3.37Å; E81-T89 WeakPolarHBondContact O-CA 3.25Å; E81-V90 HydrophobicContact CG-CB 3.73Å; E81-V90 HydrophobicContact CG-CG1 4.43Å; E81-V90 HydrophobicContact CG-CG2 4.42Å; E81-V90 PolarHBondContact N-O 3.38Å; E81-V90 PolarHBondContact O-N 3.37Å; E81-V92 HydrophobicContact CG-CG2 3.84Å; E81-V92 WeakPolarHBondContact OE1-CG2 3.07Å; E81-R111 VanDerWaalsContact CD-NH2 3.27Å; E81-R111 IonicContact OE1-CZ 2.69Å; E81-R111 VanDerWaalsContact OE1-CZ 3.29Å; E81-R111 IonicContact OE1-NE 4Å; E81-R111 PolarHBondContact OE1-NE 3.38Å; E81-R111 IonicContact OE1-NH2 3.55Å; E81-R111 PolarHBondContact OE1-NH2 3.13Å; E81-R111 IonicContact OE2-CZ 2.73Å; E81-R111 IonicContact OE2-NE 2.89Å; E81-R111 IonicContact OE2-NH2 3.69Å; E81-R111 PolarHBondContact OE2-NH2 3.37Å
82	I	81.1	Confident	83.6	Confident	84 Å²	84	63.9 Å²	63.9	43%	0.431	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.5	171.3	-56.6	-59.6	0	0	0	108.3	T89 M148	I82-T89 WeakPolarHBondContact CD1-OG1 2.96Å; I82-M148 HydrophobicContact CD1-CE 4.09Å; I82-M148 HydrophobicContact CD1-CG 4.36Å
83	D	77.7	Confident	83.6	Confident	38 Å²	38	59.7 Å²	59.7	20%	0.203	33%	0.329	C	S	.	.			trans	-68.1	126.5	178.6	-175.9	-63	0	0	0	111.3	V85 D86 G87 C88 V90 K113	D83-V85 VanDerWaalsContact C-N 3.26Å; D83-V85 PolarHBondContact O-N 3.43Å; D83-V85 WeakPolarHBondContact OD1-CA 3.45Å; D83-V85 VanDerWaalsContact OD1-CB 3.26Å; D83-V85 WeakPolarHBondContact OD1-CB 3.47Å; D83-V85 PolarHBondContact OD1-N 3.48Å; D83-D86 PolarHBondContact OD1-N 3.41Å; D83-G87 WeakPolarHBondContact O-CA 3.41Å; D83-G87 PolarHBondContact O-N 3.28Å; D83-C88 PolarHBondContact N-O 3.05Å; D83-V90 HydrophobicContact CB-CG2 4.1Å; D83-K113 IonicContact OD1-NZ 3.18Å; D83-K113 WeakPolarHBondContact OD2-CE 3.41Å; D83-K113 IonicContact OD2-NZ 2.81Å; D83-K113 PolarHBondContact OD2-NZ 3.14Å
84	P	77.2	Confident	83.7	Confident	133 Å²	133	57.3 Å²	57.3	86%	0.864	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.7	-174.6	30.7	-36.7	0	0	0	114.5
85	V	75.1	Confident	83.7	Confident	135 Å²	135	53.4 Å²	53.4	82%	0.818	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-38.1	-179.6	-172.1	0	0	0	0	111.6	D83	D83-V85 VanDerWaalsContact C-N 3.26Å; D83-V85 PolarHBondContact O-N 3.43Å; D83-V85 WeakPolarHBondContact OD1-CA 3.45Å; D83-V85 VanDerWaalsContact OD1-CB 3.26Å; D83-V85 WeakPolarHBondContact OD1-CB 3.47Å; D83-V85 PolarHBondContact OD1-N 3.48Å
86	D	75.7	Confident	83.8	Confident	31 Å²	31	54.7 Å²	54.7	17%	0.166	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-4.6	-175.2	68.8	30.7	0	0	0	116.7	D83 C88 K113 K115 K149	D83-D86 PolarHBondContact OD1-N 3.41Å; D86-C88 VanDerWaalsContact C-N 3.29Å; D86-C88 PolarHBondContact O-N 2.77Å; D86-C88 WeakPolarHBondContact OD1-CB 3.44Å; D86-C88 PolarHBondContact OD1-N 3.22Å; D86-C88 VanDerWaalsContact OD1-N 3.15Å; D86-C88 PolarHBondContact OD1-SG 3.43Å; D86-K113 IonicContact OD1-NZ 3.02Å; D86-K113 PolarHBondContact OD1-NZ 2.9Å; D86-K113 IonicContact OD2-NZ 3.21Å; D86-K113 PolarHBondContact OD2-NZ 3.43Å; D86-K115 WeakPolarHBondContact OD2-CE 3.4Å; D86-K115 IonicContact OD2-NZ 3.65Å; D86-K115 PolarHBondContact OD2-NZ 2.89Å; D86-K149 WeakPolarHBondContact O-CD 3.26Å; D86-K149 WeakPolarHBondContact O-CE 3.28Å; D86-K149 PolarHBondContact O-NZ 3.34Å
87	G	73.1	Confident	83.9	Confident	26 Å²	26	52.4 Å²	52.4	27%	0.268	28%	0.278	S	S	.	.			trans	74.5	9.5	174.1	0	0	0	0	0	115.7	D83	D83-G87 WeakPolarHBondContact O-CA 3.41Å; D83-G87 PolarHBondContact O-N 3.28Å
88	C	75.2	Confident	83.9	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.014	27%	0.271	C	S	.	.			trans	-85.3	147	176.9	-51.9	0	0	0	0	111.4	D83 D86 K113 D144	D83-C88 PolarHBondContact N-O 3.05Å; D86-C88 VanDerWaalsContact C-N 3.29Å; D86-C88 PolarHBondContact O-N 2.77Å; D86-C88 WeakPolarHBondContact OD1-CB 3.44Å; D86-C88 PolarHBondContact OD1-N 3.22Å; D86-C88 VanDerWaalsContact OD1-N 3.15Å; D86-C88 PolarHBondContact OD1-SG 3.43Å; C88-K113 HydrophobicContact CB-CD 3.96Å; C88-K113 HydrophobicContact CB-CG 4.34Å; C88-D144 WeakPolarHBondContact CA-OD2 3.11Å; C88-D144 HydrophobicContact CB-CB 4.14Å
89	T	74.3	Confident	83.9	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.5	170.2	-58.8	0	0	0	0	112.2	E80 E81 I82 D144 K146	E80-T89 HydrophobicContact CB-CG2 4.28Å; E80-T89 WeakPolarHBondContact OE2-CG2 3.46Å; E81-T89 CarbonylContact O-C 3.37Å; E81-T89 WeakPolarHBondContact O-CA 3.25Å; I82-T89 WeakPolarHBondContact CD1-OG1 2.96Å; T89-D144 PolarHBondContact N-OD2 3.01Å; T89-D144 PolarHBondContact OG1-OD2 3.38Å; T89-K146 HydrophobicContact CG2-CD 3.85Å
90	V	82.1	Confident	83.7	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.1	171	-175.1	0	0	0	0	108.2	E80 E81 D83 R111 K113	E80-V90 WeakPolarHBondContact CA-O 3.45Å; E81-V90 HydrophobicContact CG-CB 3.73Å; E81-V90 HydrophobicContact CG-CG1 4.43Å; E81-V90 HydrophobicContact CG-CG2 4.42Å; E81-V90 PolarHBondContact N-O 3.38Å; E81-V90 PolarHBondContact O-N 3.37Å; D83-V90 HydrophobicContact CB-CG2 4.1Å; V90-R111 HydrophobicContact CG1-CB 3.97Å; V90-R111 HydrophobicContact CG1-CG 4.3Å; V90-K113 HydrophobicContact CG1-CB 4.49Å; V90-K113 HydrophobicContact CG2-CB 4.02Å; V90-K113 HydrophobicContact CG2-CD 4.37Å; V90-K113 VanDerWaalsContact CG2-CE 3.46Å; V90-K113 HydrophobicContact CG2-CG 4.07Å
91	R	85.2	Confident	83.8	Confident	35 Å²	35	45 Å²	45	13%	0.132	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.7	169.1	-59.1	169.8	74.2	-161.2	8.8	107.7	E78 F93 Q112	E78-R91 IonicContact OE1-CZ 2.91Å; E78-R91 IonicContact OE1-NE 3.88Å; E78-R91 PolarHBondContact OE1-NE 3.47Å; E78-R91 IonicContact OE1-NH2 2.73Å; E78-R91 PolarHBondContact OE1-NH2 3.16Å; E78-R91 IonicContact OE2-CZ 2.66Å; E78-R91 IonicContact OE2-NE 2.92Å; E78-R91 IonicContact OE2-NH2 3.61Å; E78-R91 PolarHBondContact OE2-NH2 3.03Å; R91-F93 HydrophobicContact CB-CE2 3.84Å; R91-F93 HydrophobicContact CB-CZ 4.35Å; R91-Q112 HydrophobicContact CB-CB 4.41Å; R91-Q112 PolarHBondContact N-O 3.5Å; R91-Q112 PolarHBondContact O-N 2.71Å
92	V	87.8	Confident	83.5	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.024	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.5	178.3	-169	0	0	0	0	107.6	E78 E79 E81 T109 R111	E78-V92 WeakPolarHBondContact CA-O 3.44Å; E79-V92 HydrophobicContact CG-CB 3.74Å; E79-V92 HydrophobicContact CG-CG1 4.46Å; E79-V92 HydrophobicContact CG-CG2 4.33Å; E79-V92 PolarHBondContact N-O 3.42Å; E79-V92 PolarHBondContact O-N 3.48Å; E81-V92 HydrophobicContact CG-CG2 3.84Å; E81-V92 WeakPolarHBondContact OE1-CG2 3.07Å; V92-T109 HydrophobicContact CG1-CG2 3.47Å; V92-T109 VanDerWaalsContact CG1-CG2 3.47Å; V92-R111 HydrophobicContact CG1-CG 4.18Å; V92-R111 HydrophobicContact CG2-CG 4.23Å
93	F	89.8	Confident	83.7	Confident	5 Å²	5	52.6 Å²	52.6	2%	0.022	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126	175.9	-62.9	-90.4	0	0	0	109.2	V63 P64 T77 E78 R91 Y95 T109 V110 Q112	V63-F93 HydrophobicContact CB-CE1 4.39Å; V63-F93 HydrophobicContact CG1-CD1 4.19Å; V63-F93 HydrophobicContact CG1-CE1 4.16Å; V63-F93 HydrophobicContact CG2-CE1 4.17Å; P64-F93 VanDerWaalsContact CD-CD2 3.43Å; P64-F93 HydrophobicContact CG-CB 4.43Å; P64-F93 HydrophobicContact CG-CD2 3.49Å; P64-F93 VanDerWaalsContact CG-CD2 3.49Å; P64-F93 HydrophobicContact CG-CE2 3.79Å; P64-F93 HydrophobicContact CG-CG 3.97Å; P64-F93 HydrophobicContact CG-CZ 4.48Å; T77-F93 CarbonylContact O-C 3.5Å; T77-F93 VanDerWaalsContact O-CA 3.29Å; T77-F93 WeakPolarHBondContact O-CA 3.33Å; E78-F93 HydrophobicContact CB-CD1 4.16Å; E78-F93 HydrophobicContact CB-CE1 4.14Å; E78-F93 HydrophobicContact CG-CD1 4.24Å; E78-F93 HydrophobicContact CG-CE1 3.91Å; E78-F93 HydrophobicContact CG-CZ 4.32Å; E78-F93 WeakPolarHBondContact OE2-CE1 3.38Å; R91-F93 HydrophobicContact CB-CE2 3.84Å; R91-F93 HydrophobicContact CB-CZ 4.35Å; F93-Y95 HydrophobicContact CB-CD2 4.45Å; F93-Y95 HydrophobicContact CB-CE2 3.59Å; F93-T109 CarbonylContact O-C 3.59Å; F93-T109 VanDerWaalsContact O-CA 3.28Å; F93-T109 WeakPolarHBondContact O-CA 3.43Å; F93-V110 HydrophobicContact CB-CB 4.49Å; F93-V110 PolarHBondContact N-O 2.89Å; F93-V110 PolarHBondContact O-N 3.14Å; F93-Q112 HydrophobicContact CD2-CB 4.41Å; F93-Q112 HydrophobicContact CE2-CB 3.98Å
94	T	91.1	Very high	84.2	Confident	28 Å²	28	56.8 Å²	56.8	17%	0.172	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.8	175.7	-65.7	0	0	0	0	110	A76 T77 T107 T109	A76-T94 WeakPolarHBondContact CA-O 3.45Å; T77-T94 PolarHBondContact N-O 2.9Å; T77-T94 PolarHBondContact O-N 3.25Å; T77-T94 PolarHBondContact OG1-O 2.83Å; T94-T107 HydrophobicContact CG2-CG2 3.6Å; T94-T109 PolarHBondContact OG1-OG1 2.88Å
95	Y	90.8	Very high	84.7	Confident	5 Å²	5	54.8 Å²	54.8	2%	0.02	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.8	-179.4	-55.1	-85.8	0	0	0	109.8	V63 P64 V66 L73 D75 A76 F93 T107 K108 V110	V63-Y95 HydrophobicContact CG1-CE1 4.15Å; V63-Y95 WeakPolarHBondContact CG1-OH 3.48Å; P64-Y95 WeakPolarHBondContact CD-OH 3.1Å; P64-Y95 WeakPolarHBondContact CG-OH 3.34Å; P64-Y95 PolarHBondContact O-OH 3.37Å; V66-Y95 HydrophobicContact CB-CD1 4.13Å; V66-Y95 HydrophobicContact CB-CD2 3.75Å; V66-Y95 HydrophobicContact CB-CE1 4.3Å; V66-Y95 HydrophobicContact CB-CE2 3.93Å; V66-Y95 HydrophobicContact CB-CG 3.86Å; V66-Y95 HydrophobicContact CG1-CD1 3.62Å; V66-Y95 HydrophobicContact CG1-CD2 4.16Å; V66-Y95 HydrophobicContact CG1-CE1 3.98Å; V66-Y95 HydrophobicContact CG1-CE2 4.47Å; V66-Y95 HydrophobicContact CG1-CG 3.73Å; V66-Y95 HydrophobicContact CG2-CD2 3.77Å; V66-Y95 HydrophobicContact CG2-CE2 4.36Å; V66-Y95 HydrophobicContact CG2-CG 3.95Å; L73-Y95 HydrophobicContact CD1-CD1 3.92Å; L73-Y95 HydrophobicContact CD1-CG 4.42Å; D75-Y95 WeakPolarHBondContact O-CA 3.45Å; A76-Y95 HydrophobicContact CB-CD1 3.66Å; A76-Y95 HydrophobicContact CB-CE1 3.9Å; F93-Y95 HydrophobicContact CB-CD2 4.45Å; F93-Y95 HydrophobicContact CB-CE2 3.59Å; Y95-T107 WeakPolarHBondContact O-CA 3.46Å; Y95-K108 WeakPolarHBondContact CD2-O 3.43Å; Y95-K108 PolarHBondContact N-O 3.43Å; Y95-K108 PolarHBondContact O-N 2.84Å; Y95-V110 HydrophobicContact CD2-CG2 4.22Å; Y95-V110 HydrophobicContact CE2-CB 4.12Å; Y95-V110 HydrophobicContact CE2-CG2 3.76Å
96	R	92.5	Very high	85.2	Confident	102 Å²	102	51 Å²	51	39%	0.385	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.2	169.8	-65.8	178.7	62.6	-179.8	-0.4	108.4	I74 D75 E105	I74-R96 HydrophobicContact CB-CB 4.12Å; I74-R96 WeakPolarHBondContact CB-O 3.48Å; I74-R96 HydrophobicContact CD1-CB 4.47Å; I74-R96 PolarHBondContact N-O 3.35Å; D75-R96 HydrophobicContact CB-CB 4.29Å; D75-R96 PolarHBondContact N-O 3.03Å; D75-R96 PolarHBondContact O-N 3.05Å; R96-E105 IonicContact CZ-OE1 3.83Å; R96-E105 IonicContact CZ-OE2 3.89Å; R96-E105 IonicContact NE-OE1 3.45Å; R96-E105 PolarHBondContact NE-OE1 2.87Å; R96-E105 IonicContact NE-OE2 3.56Å; R96-E105 IonicContact NH2-OE1 2.72Å; R96-E105 PolarHBondContact NH2-OE1 2.98Å; R96-E105 IonicContact NH2-OE2 2.64Å; R96-E105 PolarHBondContact NH2-OE2 3.13Å
97	I	91	Very high	85.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123	-168.6	-56.1	162.9	0	0	0	108.2	V66 L68 T72 L73 E105 L106 K108	V66-I97 HydrophobicContact CG2-CD1 3.94Å; L68-I97 HydrophobicContact CB-CG2 4.32Å; L68-I97 HydrophobicContact CD2-CD1 3.92Å; L68-I97 HydrophobicContact CD2-CG1 3.81Å; L68-I97 HydrophobicContact CD2-CG2 4.04Å; T72-I97 CarbonylContact O-C 3.57Å; T72-I97 WeakPolarHBondContact O-CA 3.39Å; L73-I97 HydrophobicContact CD1-CG1 4.17Å; I97-E105 CarbonylContact O-C 3.59Å; I97-E105 WeakPolarHBondContact O-CA 3.39Å; I97-L106 HydrophobicContact CB-CB 4.24Å; I97-L106 PolarHBondContact N-O 3.37Å; I97-L106 PolarHBondContact O-N 3.47Å; I97-K108 HydrophobicContact CD1-CB 4.24Å; I97-K108 HydrophobicContact CD1-CD 3.8Å; I97-K108 HydrophobicContact CD1-CG 4.08Å
98	L	91.4	Very high	86.6	Confident	48 Å²	48	54.6 Å²	54.6	25%	0.251	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131	170.4	-173	61.8	0	0	0	108.8	G71 T72 I74 E102	G71-L98 CarbonylContact C-O 3.59Å; G71-L98 WeakPolarHBondContact CA-O 3.25Å; T72-L98 PolarHBondContact N-O 2.88Å; T72-L98 PolarHBondContact O-N 3.33Å; I74-L98 HydrophobicContact CD1-CB 3.89Å; I74-L98 HydrophobicContact CG1-CB 3.93Å; L98-E102 HydrophobicContact CD2-CB 4.11Å; L98-E102 HydrophobicContact CD2-CG 3.97Å; L98-E102 HydrophobicContact CG-CB 4.39Å; L98-E102 HydrophobicContact CG-CG 4.49Å
99	S	88.2	Confident	87.3	Confident	14 Å²	14	58.2 Å²	58.2	10%	0.098	30%	0.303	C	S	.	.			trans	-61.4	162.5	178.9	59.9	0	0	0	0	113.3	D101 E102 M103 E104	S99-D101 VanDerWaalsContact CB-OD1 3.27Å; S99-D101 WeakPolarHBondContact CB-OD1 3.25Å; S99-D101 PolarHBondContact O-N 2.81Å; S99-D101 VanDerWaalsContact O-N 3.14Å; S99-D101 PolarHBondContact OG-OD1 2.76Å; S99-E102 PolarHBondContact O-N 3.06Å; S99-M103 PolarHBondContact OG-N 3.45Å; S99-E104 PolarHBondContact N-O 3.4Å; S99-E104 PolarHBondContact OG-N 2.63Å; S99-E104 PolarHBondContact OG-O 2.73Å
100	A	85	Confident	87.9	Confident	78 Å²	78	59.9 Å²	59.9	65%	0.645	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13	-177.7	0	0	0	0	0	114.8	G70	G70-A100 WeakPolarHBondContact O-CB 3.33Å
101	D	87.4	Confident	88.1	Confident	101 Å²	101	67.3 Å²	67.3	54%	0.54	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	6.6	174.6	60.7	-2.2	0	0	0	113.2	S99 M103	S99-D101 VanDerWaalsContact CB-OD1 3.27Å; S99-D101 WeakPolarHBondContact CB-OD1 3.25Å; S99-D101 PolarHBondContact O-N 2.81Å; S99-D101 VanDerWaalsContact O-N 3.14Å; S99-D101 PolarHBondContact OG-OD1 2.76Å; D101-M103 PolarHBondContact O-N 2.97Å; D101-M103 VanDerWaalsContact O-N 3.16Å; D101-M103 PolarHBondContact OD1-N 2.85Å
102	E	81.5	Confident	87.9	Confident	154 Å²	154	67.6 Å²	67.6	72%	0.72	34%	0.343	S	S	*	.	S	Bend	trans	59	15.8	-177.1	-54.6	-172.8	160	0	0	115.2	L98 S99	L98-E102 HydrophobicContact CD2-CB 4.11Å; L98-E102 HydrophobicContact CD2-CG 3.97Å; L98-E102 HydrophobicContact CG-CB 4.39Å; L98-E102 HydrophobicContact CG-CG 4.49Å; S99-E102 PolarHBondContact O-N 3.06Å
103	M	85.7	Confident	87.5	Confident	151 Å²	151	70.4 Å²	70.4	74%	0.744	36%	0.355	S	S	*	.	S	Bend	trans	-95.9	-28.3	-175.3	-75.5	-177.2	42.4	0	0	115.8	S99 D101	S99-M103 PolarHBondContact OG-N 3.45Å; D101-M103 PolarHBondContact O-N 2.97Å; D101-M103 VanDerWaalsContact O-N 3.16Å; D101-M103 PolarHBondContact OD1-N 2.85Å
104	E	87.7	Confident	86.6	Confident	126 Å²	126	72.6 Å²	72.6	59%	0.589	37%	0.366	S	S	*	.			trans	-125.8	146.7	-173.6	-63.3	-165.2	162.2	0	0	112.6	S99	S99-E104 PolarHBondContact N-O 3.4Å; S99-E104 PolarHBondContact OG-N 2.63Å; S99-E104 PolarHBondContact OG-O 2.73Å
105	E	88	Confident	85.5	Confident	91 Å²	91	76.5 Å²	76.5	43%	0.425	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	107.9	172.1	-179.3	168.6	-130.6	0	0	110.5	I74 R96 I97	I74-E105 HydrophobicContact CD1-CG 4Å; I74-E105 WeakPolarHBondContact CD1-OE1 3.39Å; R96-E105 IonicContact CZ-OE1 3.83Å; R96-E105 IonicContact CZ-OE2 3.89Å; R96-E105 IonicContact NE-OE1 3.45Å; R96-E105 PolarHBondContact NE-OE1 2.87Å; R96-E105 IonicContact NE-OE2 3.56Å; R96-E105 IonicContact NH2-OE1 2.72Å; R96-E105 PolarHBondContact NH2-OE1 2.98Å; R96-E105 IonicContact NH2-OE2 2.64Å; R96-E105 PolarHBondContact NH2-OE2 3.13Å; I97-E105 CarbonylContact O-C 3.59Å; I97-E105 WeakPolarHBondContact O-CA 3.39Å
106	L	86.8	Confident	84.5	Confident	56 Å²	56	78 Å²	78	29%	0.293	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.2	176.8	-67.6	159.5	0	0	0	109.5	I97	I97-L106 HydrophobicContact CB-CB 4.24Å; I97-L106 PolarHBondContact N-O 3.37Å; I97-L106 PolarHBondContact O-N 3.47Å
107	T	89.5	Confident	83.2	Confident	87 Å²	87	77.4 Å²	77.4	53%	0.534	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.9	171.6	-59.7	0	0	0	0	109.9	T94 Y95	T94-T107 HydrophobicContact CG2-CG2 3.6Å; Y95-T107 WeakPolarHBondContact O-CA 3.46Å
108	K	88.5	Confident	81.5	Confident	45 Å²	45	79.1 Å²	79.1	20%	0.196	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.6	175.3	-74.2	-174.7	175.2	-178.6	0	110.3	V66 D67 E69 Y95 I97	V66-K108 HydrophobicContact CG2-CB 3.88Å; V66-K108 HydrophobicContact CG2-CD 3.7Å; V66-K108 HydrophobicContact CG2-CG 4.42Å; D67-K108 WeakPolarHBondContact O-CD 3.28Å; D67-K108 PolarHBondContact O-NZ 2.83Å; E69-K108 VanDerWaalsContact OE1-CE 3.29Å; E69-K108 WeakPolarHBondContact OE1-CE 3.43Å; E69-K108 IonicContact OE1-NZ 2.76Å; E69-K108 PolarHBondContact OE1-NZ 3.41Å; Y95-K108 WeakPolarHBondContact CD2-O 3.43Å; Y95-K108 PolarHBondContact N-O 3.43Å; Y95-K108 PolarHBondContact O-N 2.84Å; I97-K108 HydrophobicContact CD1-CB 4.24Å; I97-K108 HydrophobicContact CD1-CD 3.8Å; I97-K108 HydrophobicContact CD1-CG 4.08Å
109	T	88.4	Confident	79.8	Confident	78 Å²	78	80.4 Å²	80.4	48%	0.479	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.5	177.3	-57.8	0	0	0	0	110.7	V92 F93 T94	V92-T109 HydrophobicContact CG1-CG2 3.47Å; V92-T109 VanDerWaalsContact CG1-CG2 3.47Å; F93-T109 CarbonylContact O-C 3.59Å; F93-T109 VanDerWaalsContact O-CA 3.28Å; F93-T109 WeakPolarHBondContact O-CA 3.43Å; T94-T109 PolarHBondContact OG1-OG1 2.88Å
110	V	87	Confident	78	Confident	44 Å²	44	83.4 Å²	83.4	27%	0.267	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.6	177.8	-175.6	0	0	0	0	109.6	P64 F93 Y95	P64-V110 HydrophobicContact CB-CG1 3.88Å; P64-V110 HydrophobicContact CG-CB 4.07Å; P64-V110 HydrophobicContact CG-CG1 3.64Å; F93-V110 HydrophobicContact CB-CB 4.49Å; F93-V110 PolarHBondContact N-O 2.89Å; F93-V110 PolarHBondContact O-N 3.14Å; Y95-V110 HydrophobicContact CD2-CG2 4.22Å; Y95-V110 HydrophobicContact CE2-CB 4.12Å; Y95-V110 HydrophobicContact CE2-CG2 3.76Å
111	R	87.2	Confident	76.3	Confident	162 Å²	162	82.9 Å²	82.9	61%	0.611	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.7	175.8	-76.6	177	143	117.9	-3.3	110.6	E81 V90 V92	E81-R111 VanDerWaalsContact CD-NH2 3.27Å; E81-R111 IonicContact OE1-CZ 2.69Å; E81-R111 VanDerWaalsContact OE1-CZ 3.29Å; E81-R111 IonicContact OE1-NE 4Å; E81-R111 PolarHBondContact OE1-NE 3.38Å; E81-R111 IonicContact OE1-NH2 3.55Å; E81-R111 PolarHBondContact OE1-NH2 3.13Å; E81-R111 IonicContact OE2-CZ 2.73Å; E81-R111 IonicContact OE2-NE 2.89Å; E81-R111 IonicContact OE2-NH2 3.69Å; E81-R111 PolarHBondContact OE2-NH2 3.37Å; V90-R111 HydrophobicContact CG1-CB 3.97Å; V90-R111 HydrophobicContact CG1-CG 4.3Å; V92-R111 HydrophobicContact CG1-CG 4.18Å; V92-R111 HydrophobicContact CG2-CG 4.23Å
112	Q	81.4	Confident	74.6	Confident	41 Å²	41	82.9 Å²	82.9	19%	0.192	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	102.9	179.2	-176.5	-173.3	85.7	0	0	109.8	N62 R91 F93 I114	N62-Q112 PolarHBondContact O-NE2 3.03Å; R91-Q112 HydrophobicContact CB-CB 4.41Å; R91-Q112 PolarHBondContact N-O 3.5Å; R91-Q112 PolarHBondContact O-N 2.71Å; F93-Q112 HydrophobicContact CD2-CB 4.41Å; F93-Q112 HydrophobicContact CE2-CB 3.98Å; Q112-I114 HydrophobicContact CG-CG1 4.25Å
113	K	79.7	Confident	72.9	Confident	62 Å²	62	82.3 Å²	82.3	27%	0.27	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.3	170.5	-171.7	-177.8	-66.3	-167.8	0	110.1	D83 D86 C88 V90 K115	D83-K113 IonicContact OD1-NZ 3.18Å; D83-K113 WeakPolarHBondContact OD2-CE 3.41Å; D83-K113 IonicContact OD2-NZ 2.81Å; D83-K113 PolarHBondContact OD2-NZ 3.14Å; D86-K113 IonicContact OD1-NZ 3.02Å; D86-K113 PolarHBondContact OD1-NZ 2.9Å; D86-K113 IonicContact OD2-NZ 3.21Å; D86-K113 PolarHBondContact OD2-NZ 3.43Å; C88-K113 HydrophobicContact CB-CD 3.96Å; C88-K113 HydrophobicContact CB-CG 4.34Å; V90-K113 HydrophobicContact CG1-CB 4.49Å; V90-K113 HydrophobicContact CG2-CB 4.02Å; V90-K113 HydrophobicContact CG2-CD 4.37Å; V90-K113 VanDerWaalsContact CG2-CE 3.46Å; V90-K113 HydrophobicContact CG2-CG 4.07Å; K113-K115 HydrophobicContact CD-CD 4.17Å; K113-K115 HydrophobicContact CD-CG 4.05Å; K113-K115 HydrophobicContact CG-CG 4.29Å; K113-K115 PolarHBondContact O-N 3.34Å
114	I	69.3	Low	71.1	Confident	51 Å²	51	76.7 Å²	76.7	26%	0.262	38%	0.38	S	S	.	.			trans	-96.7	92	176.3	-54.8	178.9	0	0	0	109.2	Q112 I145	Q112-I114 HydrophobicContact CG-CG1 4.25Å; I114-I145 HydrophobicContact CB-CG2 4.04Å; I114-I145 HydrophobicContact CG2-CB 4.34Å; I114-I145 HydrophobicContact CG2-CD1 4.1Å; I114-I145 HydrophobicContact CG2-CG2 3.91Å
115	K	69.2	Low	69	Low	111 Å²	111	70.9 Å²	70.9	48%	0.483	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.3	164.6	-75.9	175.9	171.5	174.3	0	109.5	D86 K113 G143	D86-K115 WeakPolarHBondContact OD2-CE 3.4Å; D86-K115 IonicContact OD2-NZ 3.65Å; D86-K115 PolarHBondContact OD2-NZ 2.89Å; K113-K115 HydrophobicContact CD-CD 4.17Å; K113-K115 HydrophobicContact CD-CG 4.05Å; K113-K115 HydrophobicContact CG-CG 4.29Å; K113-K115 PolarHBondContact O-N 3.34Å; K115-G143 WeakPolarHBondContact CA-O 3.22Å
116	F	68.7	Low	67.1	Low	36 Å²	36	71.6 Å²	71.6	16%	0.158	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	139.7	154.8	62.4	-100.6	0	0	0	108.8	F54 I141 S142 G143 I151	F54-F116 HydrophobicContact CE1-CD1 4.31Å; F54-F116 HydrophobicContact CE1-CE1 4.43Å; F116-I141 WeakPolarHBondContact CD2-O 3.42Å; F116-I141 HydrophobicContact CE2-CG2 3.87Å; F116-S142 VanDerWaalsContact CE2-C 3.4Å; F116-S142 WeakPolarHBondContact O-CA 3.48Å; F116-G143 WeakPolarHBondContact CD1-O 3.43Å; F116-G143 VanDerWaalsContact CE1-C 3.43Å; F116-G143 VanDerWaalsContact CZ-CA 3.43Å; F116-G143 PolarHBondContact N-O 2.67Å; F116-G143 VanDerWaalsContact N-O 3.17Å; F116-G143 PolarHBondContact O-N 3.44Å; F116-I151 HydrophobicContact CE2-CG2 4.14Å; F116-I151 HydrophobicContact CZ-CD1 4.18Å; F116-I151 HydrophobicContact CZ-CG1 4.03Å; F116-I151 HydrophobicContact CZ-CG2 4.09Å
117	D	65.6	Low	65.1	Low	89 Å²	89	71.6 Å²	71.6	48%	0.476	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	76.9	173.1	-170	4.2	0	0	0	107.6	R140	D117-R140 WeakPolarHBondContact OD1-CG 3.44Å; D117-R140 IonicContact OD1-CZ 3.03Å; D117-R140 IonicContact OD1-NE 2.78Å; D117-R140 PolarHBondContact OD1-NE 3.37Å; D117-R140 IonicContact OD1-NH2 3.29Å; D117-R140 IonicContact OD2-CZ 2.72Å; D117-R140 IonicContact OD2-NE 3.01Å; D117-R140 PolarHBondContact OD2-NE 2.63Å; D117-R140 IonicContact OD2-NH2 3.34Å; D117-R140 PolarHBondContact OD2-NH2 3.33Å
118	C	56	Low	63.2	Low	36 Å²	36	71.4 Å²	71.4	24%	0.243	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.7	-172.4	-179	0	0	0	0	109.2	Q120 I141	C118-Q120 PolarHBondContact O-N 3Å; C118-I141 HydrophobicContact CB-CB 4.48Å; C118-I141 PolarHBondContact N-O 2.9Å; C118-I141 WeakPolarHBondContact O-CB 3.37Å; C118-I141 PolarHBondContact O-N 3.34Å
119	T	55.2	Low	62	Low	76 Å²	76	70.6 Å²	70.6	47%	0.466	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	99.7	164.8	-59.7	0	0	0	0	108.3	T121 Q139	T119-T121 PolarHBondContact O-N 3.29Å; T119-T121 VanDerWaalsContact O-N 3.09Å; T119-Q139 CarbonylContact C-O 3.57Å; T119-Q139 WeakPolarHBondContact CA-O 3.35Å
120	Q	51	Low	59.7	Low	76 Å²	76	69 Å²	69	36%	0.355	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	95.6	168.9	-173.5	178.9	33.6	0	0	108.4	C118 M122 Q139 I141	C118-Q120 PolarHBondContact O-N 3Å; Q120-M122 HydrophobicContact CG-CG 4.31Å; Q120-M122 PolarHBondContact O-N 3.47Å; Q120-M122 VanDerWaalsContact O-N 3.12Å; Q120-Q139 PolarHBondContact N-O 3.04Å; Q120-Q139 PolarHBondContact O-N 3.19Å; Q120-I141 HydrophobicContact CB-CD1 3.51Å; Q120-I141 HydrophobicContact CB-CG1 4.07Å; Q120-I141 HydrophobicContact CG-CD1 4.4Å
121	T	48.3	Very low	57.2	Low	68 Å²	68	67.3 Å²	67.3	42%	0.417	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	89.3	173.5	-60.8	0	0	0	0	110.3	T119 R123 E136 S138	T119-T121 PolarHBondContact O-N 3.29Å; T119-T121 VanDerWaalsContact O-N 3.09Å; T121-R123 HydrophobicContact CG2-CB 4.44Å; T121-R123 PolarHBondContact O-N 3.41Å; T121-E136 HydrophobicContact CG2-CG 3.43Å; T121-E136 VanDerWaalsContact CG2-CG 3.43Å; T121-E136 VanDerWaalsContact CG2-OE1 3.29Å; T121-E136 WeakPolarHBondContact CG2-OE1 3.49Å; T121-S138 PolarHBondContact OG1-OG 2.83Å
122	M	50.9	Low	55.1	Low	101 Å²	101	59.8 Å²	59.8	50%	0.498	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	88.3	167	-76.2	-177	63.6	0	0	109.7	Q120 S124 K137	Q120-M122 HydrophobicContact CG-CG 4.31Å; Q120-M122 PolarHBondContact O-N 3.47Å; Q120-M122 VanDerWaalsContact O-N 3.12Å; M122-S124 VanDerWaalsContact C-N 3.33Å; M122-S124 PolarHBondContact O-N 2.87Å; M122-K137 HydrophobicContact CB-CB 4.06Å; M122-K137 PolarHBondContact N-O 3.38Å; M122-K137 PolarHBondContact O-N 3.02Å
123	R	46.8	Very low	53.3	Low	142 Å²	142	59.2 Å²	59.2	54%	0.536	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	74	177.4	-159	-172.9	-176.5	-152.8	-5.3	111.6	T121 L125 V134 E136	T121-R123 HydrophobicContact CG2-CB 4.44Å; T121-R123 PolarHBondContact O-N 3.41Å; R123-L125 HydrophobicContact CG-CD1 3.78Å; R123-L125 PolarHBondContact O-N 2.72Å; R123-V134 HydrophobicContact CG-CG1 3.78Å; R123-E136 HydrophobicContact CB-CG 4.5Å; R123-E136 HydrophobicContact CG-CB 4.5Å; R123-E136 HydrophobicContact CG-CG 4.3Å
124	S	48.9	Very low	51.7	Low	33 Å²	33	57.9 Å²	57.9	23%	0.231	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	95.5	172	54.3	0	0	0	0	110.4	M122 K126 V135	M122-S124 VanDerWaalsContact C-N 3.33Å; M122-S124 PolarHBondContact O-N 2.87Å; S124-K126 PolarHBondContact O-N 3.15Å; S124-V135 PolarHBondContact N-O 2.72Å; S124-V135 VanDerWaalsContact N-O 3.12Å; S124-V135 CarbonylContact O-C 3.59Å; S124-V135 WeakPolarHBondContact O-CA 3.15Å; S124-V135 VanDerWaalsContact O-CB 3.31Å; S124-V135 WeakPolarHBondContact O-CB 3.36Å; S124-V135 PolarHBondContact O-N 3.33Å; S124-V135 PolarHBondContact OG-O 3.44Å
125	L	42.2	Very low	50.7	Low	3 Å²	3	57.7 Å²	57.7	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.5	168.8	-79	85.6	0	0	0	109	R123 A132 V134 V182 L183 V186	R123-L125 HydrophobicContact CG-CD1 3.78Å; R123-L125 PolarHBondContact O-N 2.72Å; L125-A132 HydrophobicContact CD2-CB 3.95Å; L125-V134 HydrophobicContact CD1-CG1 4.04Å; L125-V134 HydrophobicContact CD2-CG2 3.95Å; L125-V134 HydrophobicContact CG-CB 4.25Å; L125-V134 HydrophobicContact CG-CG1 4.05Å; L125-V134 HydrophobicContact CG-CG2 3.95Å; L125-V182 HydrophobicContact CB-CB 4.03Å; L125-V182 HydrophobicContact CB-CG1 4.05Å; L125-V182 HydrophobicContact CD1-CB 3.84Å; L125-V182 HydrophobicContact CD1-CG1 3.62Å; L125-V182 HydrophobicContact CD2-CB 4.17Å; L125-V182 HydrophobicContact CG-CB 4.2Å; L125-V182 HydrophobicContact CG-CG1 4.31Å; L125-L183 HydrophobicContact CB-CB 4.35Å; L125-L183 HydrophobicContact CB-CD2 3.84Å; L125-L183 HydrophobicContact CB-CG 3.97Å; L125-L183 HydrophobicContact CD2-CG 4.09Å; L125-L183 CarbonylContact O-C 3.53Å; L125-L183 WeakPolarHBondContact O-CA 3.33Å; L125-V186 WeakPolarHBondContact O-CG2 3.41Å
126	K	48.3	Very low	49.7	Very low	107 Å²	107	57.1 Å²	57.1	47%	0.465	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.9	-178.1	-162.4	175.5	-177.3	-165.2	0	112	S124 N133 V135 Q164 L183 V186	S124-K126 PolarHBondContact O-N 3.15Å; K126-N133 PolarHBondContact N-O 3.24Å; K126-N133 WeakPolarHBondContact O-CB 3.48Å; K126-N133 PolarHBondContact O-N 2.91Å; K126-V135 HydrophobicContact CB-CG2 4.39Å; K126-Q164 PolarHBondContact O-NE2 3.12Å; K126-Q164 VanDerWaalsContact O-NE2 3.1Å; K126-L183 VanDerWaalsContact O-CD2 3.23Å; K126-L183 WeakPolarHBondContact O-CD2 3.27Å; K126-V186 HydrophobicContact CB-CG2 3.57Å; K126-V186 HydrophobicContact CD-CG1 4.44Å; K126-V186 HydrophobicContact CD-CG2 4.37Å; K126-V186 HydrophobicContact CG-CB 4.3Å; K126-V186 HydrophobicContact CG-CG2 3.66Å
127	M	44.3	Very low	48.7	Very low	56 Å²	56	61.6 Å²	61.6	28%	0.276	32%	0.321	S	S	.	.			trans	-69.9	144.3	168.4	-60.8	-149.2	88.1	0	0	110.5	G129 S130 L183	M127-G129 WeakPolarHBondContact CE-O 3.5Å; M127-S130 WeakPolarHBondContact CE-O 3.36Å; M127-L183 HydrophobicContact CE-CD1 3.76Å; M127-L183 HydrophobicContact CG-CB 3.48Å; M127-L183 VanDerWaalsContact CG-CB 3.48Å; M127-L183 HydrophobicContact CG-CD1 3.93Å; M127-L183 HydrophobicContact CG-CD2 3.88Å; M127-L183 HydrophobicContact CG-CG 3.97Å; M127-L183 VanDerWaalsContact N-CD2 3.33Å; M127-L183 PolarHBondContact N-O 2.9Å; M127-L183 HydrophobicContact SD-CB 4.24Å; M127-L183 HydrophobicContact SD-CD1 4.3Å
128	I	50.9	Low	47.9	Very low	83 Å²	83	59 Å²	59	43%	0.426	31%	0.31	S	S	.	.	S	Bend	trans	-139.6	20.3	170.5	-27	176.2	0	0	0	108.9	N133 Q164	I128-N133 HydrophobicContact CD1-CB 3.76Å; I128-N133 HydrophobicContact CG1-CB 4.1Å; I128-Q164 VanDerWaalsContact C-OE1 3.25Å; I128-Q164 HydrophobicContact CB-CB 3.71Å; I128-Q164 HydrophobicContact CB-CG 3.57Å; I128-Q164 HydrophobicContact CD1-CG 4.12Å; I128-Q164 HydrophobicContact CG1-CB 4.47Å; I128-Q164 HydrophobicContact CG1-CG 3.78Å; I128-Q164 WeakPolarHBondContact O-CB 3.48Å
129	G	62	Low	47.7	Very low	28 Å²	28	59.3 Å²	59.3	29%	0.289	31%	0.308	S	S	.	.	S	Bend	trans	152.4	-140	-162.8	0	0	0	0	0	111	M127 Q164	M127-G129 WeakPolarHBondContact CE-O 3.5Å; G129-Q164 CarbonylContact C-O 3.26Å; G129-Q164 VanDerWaalsContact CA-O 3.23Å; G129-Q164 WeakPolarHBondContact CA-O 3.47Å; G129-Q164 VanDerWaalsContact CA-OE1 3.27Å
130	S	41.1	Very low	47.9	Very low	45 Å²	45	61 Å²	61	32%	0.315	31%	0.306	S	S	.	.	S	Bend	trans	-89.3	-17.2	177.9	57.4	0	0	0	0	114.7	M127 Q164 L167 L169	M127-S130 WeakPolarHBondContact CE-O 3.36Å; S130-Q164 PolarHBondContact N-O 2.94Å; S130-L167 PolarHBondContact OG-O 3.48Å; S130-L169 WeakPolarHBondContact O-CD1 3.42Å; S130-L169 WeakPolarHBondContact O-CG 3.41Å
131	E	33.9	Very low	48.4	Very low	8 Å²	8	58.5 Å²	58.5	4%	0.037	30%	0.295	C	S	.	.	S	Bend	trans	-87.5	174.3	-171.2	-57.3	-156.9	174.3	0	0	115.1	L162 D163 Q164 S166 L167 L183	E131-L162 WeakPolarHBondContact OE2-CA 3.19Å; E131-L162 WeakPolarHBondContact OE2-CB 3.43Å; E131-D163 VanDerWaalsContact CD-N 3.32Å; E131-D163 PolarHBondContact OE2-N 2.98Å; E131-Q164 VanDerWaalsContact C-NE2 3.32Å; E131-Q164 HydrophobicContact CB-CG 3.94Å; E131-Q164 PolarHBondContact N-O 3.44Å; E131-Q164 VanDerWaalsContact N-OE1 3.1Å; E131-Q164 VanDerWaalsContact O-CD 3.26Å; E131-Q164 PolarHBondContact O-NE2 3.01Å; E131-Q164 PolarHBondContact O-OE1 3.28Å; E131-Q164 VanDerWaalsContact O-OE1 3.13Å; E131-S166 WeakPolarHBondContact OE1-CB 3.15Å; E131-S166 PolarHBondContact OE1-N 3.47Å; E131-L167 HydrophobicContact CB-CB 4.38Å; E131-L167 HydrophobicContact CB-CD1 3.82Å; E131-L167 HydrophobicContact CB-CG 4.27Å; E131-L167 VanDerWaalsContact CD-CG 3.48Å; E131-L167 HydrophobicContact CG-CB 3.63Å; E131-L167 HydrophobicContact CG-CD1 3.79Å; E131-L167 HydrophobicContact CG-CG 3.66Å; E131-L167 PolarHBondContact OE1-N 3.12Å; E131-L183 WeakPolarHBondContact O-CD1 3.36Å
132	A	42.3	Very low	49	Very low	4 Å²	4	56.7 Å²	56.7	3%	0.033	29%	0.285	C	S	.	.			trans	-89.1	108	156.4	0	0	0	0	0	113.9	L125 V134 L162 I179 L183	L125-A132 HydrophobicContact CD2-CB 3.95Å; A132-V134 VanDerWaalsContact C-N 3.32Å; A132-V134 HydrophobicContact CB-CG2 3.81Å; A132-V134 PolarHBondContact O-N 3.1Å; A132-V134 VanDerWaalsContact O-N 3.15Å; A132-L162 VanDerWaalsContact O-CB 3.27Å; A132-L162 WeakPolarHBondContact O-CB 3.38Å; A132-L162 WeakPolarHBondContact O-CD1 3.4Å; A132-I179 HydrophobicContact CB-CB 4.25Å; A132-I179 HydrophobicContact CB-CG1 4.2Å; A132-I179 HydrophobicContact CB-CG2 3.53Å; A132-L183 VanDerWaalsContact CA-CD1 3.49Å; A132-L183 VanDerWaalsContact CA-CD2 3.44Å; A132-L183 HydrophobicContact CB-CD1 3.74Å; A132-L183 HydrophobicContact CB-CD2 3.93Å; A132-L183 HydrophobicContact CB-CG 3.9Å
133	N	44.8	Very low	49.7	Very low	28 Å²	28	52 Å²	52	15%	0.15	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	87.2	157.8	-157.4	-75.8	0	0	0	107.1	K126 I128 V135 L162 Q164	K126-N133 PolarHBondContact N-O 3.24Å; K126-N133 WeakPolarHBondContact O-CB 3.48Å; K126-N133 PolarHBondContact O-N 2.91Å; I128-N133 HydrophobicContact CD1-CB 3.76Å; I128-N133 HydrophobicContact CG1-CB 4.1Å; N133-V135 VanDerWaalsContact C-N 3.29Å; N133-V135 PolarHBondContact O-N 3.4Å; N133-V135 VanDerWaalsContact OD1-CG2 3.31Å; N133-V135 WeakPolarHBondContact OD1-CG2 3.27Å; N133-L162 PolarHBondContact ND2-O 2.82Å; N133-L162 VanDerWaalsContact ND2-O 3.1Å; N133-Q164 HydrophobicContact CB-CG 4.23Å
134	V	46.4	Very low	50.7	Low	35 Å²	35	45.5 Å²	45.5	21%	0.212	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	86.6	176.4	-170.2	0	0	0	0	108.4	R123 L125 A132 E136	R123-V134 HydrophobicContact CG-CG1 3.78Å; L125-V134 HydrophobicContact CD1-CG1 4.04Å; L125-V134 HydrophobicContact CD2-CG2 3.95Å; L125-V134 HydrophobicContact CG-CB 4.25Å; L125-V134 HydrophobicContact CG-CG1 4.05Å; L125-V134 HydrophobicContact CG-CG2 3.95Å; A132-V134 VanDerWaalsContact C-N 3.32Å; A132-V134 HydrophobicContact CB-CG2 3.81Å; A132-V134 PolarHBondContact O-N 3.1Å; A132-V134 VanDerWaalsContact O-N 3.15Å; V134-E136 HydrophobicContact CG1-CB 4.29Å; V134-E136 PolarHBondContact O-N 3.4Å
135	V	48.3	Very low	51.5	Low	47 Å²	47	44.8 Å²	44.8	29%	0.285	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	79.3	173.6	-175.4	0	0	0	0	108.1	S124 K126 N133 K137	S124-V135 PolarHBondContact N-O 2.72Å; S124-V135 VanDerWaalsContact N-O 3.12Å; S124-V135 CarbonylContact O-C 3.59Å; S124-V135 WeakPolarHBondContact O-CA 3.15Å; S124-V135 VanDerWaalsContact O-CB 3.31Å; S124-V135 WeakPolarHBondContact O-CB 3.36Å; S124-V135 PolarHBondContact O-N 3.33Å; S124-V135 PolarHBondContact OG-O 3.44Å; K126-V135 HydrophobicContact CB-CG2 4.39Å; N133-V135 VanDerWaalsContact C-N 3.29Å; N133-V135 PolarHBondContact O-N 3.4Å; N133-V135 VanDerWaalsContact OD1-CG2 3.31Å; N133-V135 WeakPolarHBondContact OD1-CG2 3.27Å; V135-K137 HydrophobicContact CG1-CG 4.23Å; V135-K137 PolarHBondContact O-N 2.96Å
136	E	46.6	Very low	52.4	Low	99 Å²	99	48.2 Å²	48.2	46%	0.463	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	90.7	175.6	-165.8	169.9	141.7	0	0	110	T121 R123 V134 S138	T121-E136 HydrophobicContact CG2-CG 3.43Å; T121-E136 VanDerWaalsContact CG2-CG 3.43Å; T121-E136 VanDerWaalsContact CG2-OE1 3.29Å; T121-E136 WeakPolarHBondContact CG2-OE1 3.49Å; R123-E136 HydrophobicContact CB-CG 4.5Å; R123-E136 HydrophobicContact CG-CB 4.5Å; R123-E136 HydrophobicContact CG-CG 4.3Å; V134-E136 HydrophobicContact CG1-CB 4.29Å; V134-E136 PolarHBondContact O-N 3.4Å; E136-S138 VanDerWaalsContact C-N 3.31Å; E136-S138 PolarHBondContact O-N 2.89Å
137	K	47.8	Very low	52.8	Low	129 Å²	129	45.8 Å²	45.8	56%	0.561	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	82.5	172.1	-80.8	-179	177.7	-179.3	0	109.7	M122 V135 Q139	M122-K137 HydrophobicContact CB-CB 4.06Å; M122-K137 PolarHBondContact N-O 3.38Å; M122-K137 PolarHBondContact O-N 3.02Å; V135-K137 HydrophobicContact CG1-CG 4.23Å; V135-K137 PolarHBondContact O-N 2.96Å; K137-Q139 PolarHBondContact O-N 2.92Å; K137-Q139 VanDerWaalsContact O-N 3.07Å
138	S	49	Very low	53.3	Low	34 Å²	34	49.2 Å²	49.2	24%	0.238	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	91.5	163.5	-69	0	0	0	0	109.5	T121 E136	T121-S138 PolarHBondContact OG1-OG 2.83Å; E136-S138 VanDerWaalsContact C-N 3.31Å; E136-S138 PolarHBondContact O-N 2.89Å
139	Q	52.8	Low	53.6	Low	43 Å²	43	47.2 Å²	47.2	20%	0.201	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.5	171.1	-178	167.1	78.9	0	0	108.5	T119 Q120 K137 I141 F153 N155	T119-Q139 CarbonylContact C-O 3.57Å; T119-Q139 WeakPolarHBondContact CA-O 3.35Å; Q120-Q139 PolarHBondContact N-O 3.04Å; Q120-Q139 PolarHBondContact O-N 3.19Å; K137-Q139 PolarHBondContact O-N 2.92Å; K137-Q139 VanDerWaalsContact O-N 3.07Å; Q139-I141 HydrophobicContact CG-CG1 4.23Å; Q139-I141 PolarHBondContact O-N 3.46Å; Q139-F153 HydrophobicContact CG-CB 4.34Å; Q139-F153 HydrophobicContact CG-CD1 4.11Å; Q139-N155 PolarHBondContact NE2-OD1 3.18Å
140	R	59.5	Low	53	Low	113 Å²	113	51 Å²	51	43%	0.426	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	113.1	172.3	-177.2	-173.2	-170.5	-172.5	6.5	108	D117 S154	D117-R140 WeakPolarHBondContact OD1-CG 3.44Å; D117-R140 IonicContact OD1-CZ 3.03Å; D117-R140 IonicContact OD1-NE 2.78Å; D117-R140 PolarHBondContact OD1-NE 3.37Å; D117-R140 IonicContact OD1-NH2 3.29Å; D117-R140 IonicContact OD2-CZ 2.72Å; D117-R140 IonicContact OD2-NE 3.01Å; D117-R140 PolarHBondContact OD2-NE 2.63Å; D117-R140 IonicContact OD2-NH2 3.34Å; D117-R140 PolarHBondContact OD2-NH2 3.33Å; R140-S154 WeakPolarHBondContact CB-OG 3.48Å; R140-S154 PolarHBondContact N-O 2.9Å; R140-S154 PolarHBondContact O-N 3.03Å; R140-S154 PolarHBondContact O-OG 3.31Å
141	I	60	Low	53.5	Low	23 Å²	23	52.5 Å²	52.5	12%	0.118	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.6	179.3	-45.1	-175.4	0	0	0	107.3	F116 C118 Q120 Q139 I151 F153	F116-I141 WeakPolarHBondContact CD2-O 3.42Å; F116-I141 HydrophobicContact CE2-CG2 3.87Å; C118-I141 HydrophobicContact CB-CB 4.48Å; C118-I141 PolarHBondContact N-O 2.9Å; C118-I141 WeakPolarHBondContact O-CB 3.37Å; C118-I141 PolarHBondContact O-N 3.34Å; Q120-I141 HydrophobicContact CB-CD1 3.51Å; Q120-I141 HydrophobicContact CB-CG1 4.07Å; Q120-I141 HydrophobicContact CG-CD1 4.4Å; Q139-I141 HydrophobicContact CG-CG1 4.23Å; Q139-I141 PolarHBondContact O-N 3.46Å; I141-I151 HydrophobicContact CG2-CG2 3.22Å; I141-F153 HydrophobicContact CD1-CE1 4.2Å; I141-F153 HydrophobicContact CG1-CD1 4.11Å; I141-F153 HydrophobicContact CG1-CE1 4.21Å; I141-F153 HydrophobicContact CG2-CD1 4.06Å; I141-F153 HydrophobicContact CG2-CE1 3.79Å
142	S	60.9	Low	54.2	Low	29 Å²	29	56.6 Å²	56.6	20%	0.203	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.7	-178.2	54.7	0	0	0	0	112	F116 E152	F116-S142 VanDerWaalsContact CE2-C 3.4Å; F116-S142 WeakPolarHBondContact O-CA 3.48Å; S142-E152 PolarHBondContact N-O 3.14Å; S142-E152 PolarHBondContact O-N 2.79Å
143	G	67.2	Low	54.4	Low	4 Å²	4	62 Å²	62	4%	0.041	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-169.8	180	0	0	0	0	0	114.4	K115 F116	K115-G143 WeakPolarHBondContact CA-O 3.22Å; F116-G143 WeakPolarHBondContact CD1-O 3.43Å; F116-G143 VanDerWaalsContact CE1-C 3.43Å; F116-G143 VanDerWaalsContact CZ-CA 3.43Å; F116-G143 PolarHBondContact N-O 2.67Å; F116-G143 VanDerWaalsContact N-O 3.17Å; F116-G143 PolarHBondContact O-N 3.44Å
144	D	67.5	Low	54.5	Low	5 Å²	5	62.9 Å²	62.9	3%	0.027	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.8	-178.1	-175.4	-11.7	0	0	0	111.2	C88 T89 K146 G147 K149	C88-D144 WeakPolarHBondContact CA-OD2 3.11Å; C88-D144 HydrophobicContact CB-CB 4.14Å; T89-D144 PolarHBondContact N-OD2 3.01Å; T89-D144 PolarHBondContact OG1-OD2 3.38Å; D144-K146 PolarHBondContact O-N 3.42Å; D144-K146 PolarHBondContact OD1-N 2.8Å; D144-G147 PolarHBondContact O-N 3.12Å; D144-K149 HydrophobicContact CB-CB 4.11Å
145	I	64.6	Low	54.2	Low	17 Å²	17	66.6 Å²	66.6	9%	0.087	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.6	175.5	-167.8	172.4	0	0	0	114	F54 V57 R58 I114	F54-I145 HydrophobicContact CD1-CG1 4.35Å; V57-I145 HydrophobicContact CB-CD1 3.74Å; V57-I145 HydrophobicContact CG1-CD1 3.47Å; V57-I145 VanDerWaalsContact CG1-CD1 3.47Å; R58-I145 HydrophobicContact CG-CD1 4.4Å; R58-I145 HydrophobicContact CG-CG1 4.41Å; I114-I145 HydrophobicContact CB-CG2 4.04Å; I114-I145 HydrophobicContact CG2-CB 4.34Å; I114-I145 HydrophobicContact CG2-CD1 4.1Å; I114-I145 HydrophobicContact CG2-CG2 3.91Å
146	K	62.9	Low	53.8	Low	76 Å²	76	70 Å²	70	33%	0.33	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-8.3	176.1	-71.9	177.9	173.8	176.3	0	113.7	E80 T89 D144 M148	E80-K146 IonicContact OE1-NZ 3.66Å; E80-K146 PolarHBondContact OE1-NZ 2.95Å; E80-K146 IonicContact OE2-NZ 2.65Å; E80-K146 PolarHBondContact OE2-NZ 2.94Å; T89-K146 HydrophobicContact CG2-CD 3.85Å; D144-K146 PolarHBondContact O-N 3.42Å; D144-K146 PolarHBondContact OD1-N 2.8Å; K146-M148 VanDerWaalsContact C-N 3.3Å; K146-M148 HydrophobicContact CB-CG 4.42Å; K146-M148 PolarHBondContact O-N 3.45Å
147	G	56.2	Low	53.1	Low	56 Å²	56	70.2 Å²	70.2	58%	0.577	38%	0.378	S	S	*	.	S	Bend	trans	74.9	12.1	177.4	0	0	0	0	0	115.3	D144 K149	D144-G147 PolarHBondContact O-N 3.12Å; G147-K149 VanDerWaalsContact C-N 3.26Å; G147-K149 PolarHBondContact O-N 2.95Å
148	M	54.1	Low	52.3	Low	127 Å²	127	73.1 Å²	73.1	63%	0.626	39%	0.391	S	S	*	.	S	Bend	trans	-65.7	-32.1	174.4	-64	-65.5	-75.2	0	0	111.7	I82 K146	I82-M148 HydrophobicContact CD1-CE 4.09Å; I82-M148 HydrophobicContact CD1-CG 4.36Å; K146-M148 VanDerWaalsContact C-N 3.3Å; K146-M148 HydrophobicContact CB-CG 4.42Å; K146-M148 PolarHBondContact O-N 3.45Å
149	K	57.7	Low	51.2	Low	41 Å²	41	80 Å²	80	18%	0.178	42%	0.42	C	S	.	.	S	Bend	trans	-100.1	134.1	167.3	-160.7	-167.7	-166.6	178.6	0	110.8	D86 D144 G147 E152	D86-K149 WeakPolarHBondContact O-CD 3.26Å; D86-K149 WeakPolarHBondContact O-CE 3.28Å; D86-K149 PolarHBondContact O-NZ 3.34Å; D144-K149 HydrophobicContact CB-CB 4.11Å; G147-K149 VanDerWaalsContact C-N 3.26Å; G147-K149 PolarHBondContact O-N 2.95Å; K149-E152 VanDerWaalsContact CE-CD 3.46Å; K149-E152 WeakPolarHBondContact CE-OE1 3.39Å; K149-E152 IonicContact NZ-OE1 3.72Å; K149-E152 PolarHBondContact NZ-OE1 3.24Å; K149-E152 IonicContact NZ-OE2 2.72Å; K149-E152 PolarHBondContact NZ-OE2 2.97Å
150	P	48.2	Very low	50	Low	107 Å²	107	83.7 Å²	83.7	70%	0.695	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-55.1	148.5	165.9	-25	34.8	0	0	0	112.2	E152	P150-E152 PolarHBondContact O-N 3.09Å
151	I	52.6	Low	48.4	Very low	77 Å²	77	83 Å²	83	40%	0.395	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-67.4	120.6	178.5	-53.6	-167.8	0	0	0	109.9	F116 I141 F153	F116-I151 HydrophobicContact CE2-CG2 4.14Å; F116-I151 HydrophobicContact CZ-CD1 4.18Å; F116-I151 HydrophobicContact CZ-CG1 4.03Å; F116-I151 HydrophobicContact CZ-CG2 4.09Å; I141-I151 HydrophobicContact CG2-CG2 3.22Å; I151-F153 HydrophobicContact CB-CE2 3.97Å; I151-F153 HydrophobicContact CB-CZ 4.05Å; I151-F153 HydrophobicContact CG2-CD1 4.36Å; I151-F153 HydrophobicContact CG2-CD2 4.35Å; I151-F153 HydrophobicContact CG2-CE1 3.89Å; I151-F153 HydrophobicContact CG2-CE2 3.86Å; I151-F153 HydrophobicContact CG2-CZ 3.61Å; I151-F153 WeakPolarHBondContact O-CD2 3.45Å
152	E	48.6	Very low	47	Very low	95 Å²	95	85 Å²	85	44%	0.444	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.6	175.8	-73.4	171	152.9	0	0	109.9	S142 K149 P150	S142-E152 PolarHBondContact N-O 3.14Å; S142-E152 PolarHBondContact O-N 2.79Å; K149-E152 VanDerWaalsContact CE-CD 3.46Å; K149-E152 WeakPolarHBondContact CE-OE1 3.39Å; K149-E152 IonicContact NZ-OE1 3.72Å; K149-E152 PolarHBondContact NZ-OE1 3.24Å; K149-E152 IonicContact NZ-OE2 2.72Å; K149-E152 PolarHBondContact NZ-OE2 2.97Å; P150-E152 PolarHBondContact O-N 3.09Å
153	F	45.7	Very low	45.7	Very low	117 Å²	117	88.9 Å²	88.9	51%	0.513	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	109.7	178.2	-62.3	-79.9	0	0	0	109.8	Q139 I141 I151	Q139-F153 HydrophobicContact CG-CB 4.34Å; Q139-F153 HydrophobicContact CG-CD1 4.11Å; I141-F153 HydrophobicContact CD1-CE1 4.2Å; I141-F153 HydrophobicContact CG1-CD1 4.11Å; I141-F153 HydrophobicContact CG1-CE1 4.21Å; I141-F153 HydrophobicContact CG2-CD1 4.06Å; I141-F153 HydrophobicContact CG2-CE1 3.79Å; I151-F153 HydrophobicContact CB-CE2 3.97Å; I151-F153 HydrophobicContact CB-CZ 4.05Å; I151-F153 HydrophobicContact CG2-CD1 4.36Å; I151-F153 HydrophobicContact CG2-CD2 4.35Å; I151-F153 HydrophobicContact CG2-CE1 3.89Å; I151-F153 HydrophobicContact CG2-CE2 3.86Å; I151-F153 HydrophobicContact CG2-CZ 3.61Å; I151-F153 WeakPolarHBondContact O-CD2 3.45Å
154	S	48.6	Very low	44	Very low	47 Å²	47	89.3 Å²	89.3	33%	0.329	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.8	175.6	55.1	0	0	0	0	111.5	R140	R140-S154 WeakPolarHBondContact CB-OG 3.48Å; R140-S154 PolarHBondContact N-O 2.9Å; R140-S154 PolarHBondContact O-N 3.03Å; R140-S154 PolarHBondContact O-OG 3.31Å
155	N	40.1	Very low	42.5	Very low	113 Å²	113	96.7 Å²	96.7	60%	0.604	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	97.4	-177.1	-73.1	-17.3	0	0	0	110.7	Q139 S157	Q139-N155 PolarHBondContact NE2-OD1 3.18Å; N155-S157 PolarHBondContact O-N 3.43Å; N155-S157 VanDerWaalsContact O-N 3.11Å
156	N	39.3	Very low	41.3	Very low	117 Å²	117	99.5 Å²	99.5	63%	0.626	54%	0.536	S	S	*	.			trans	-85.9	63.6	170.4	-79.5	-21.3	0	0	0	110.9	K158	N156-K158 VanDerWaalsContact C-N 3.29Å; N156-K158 PolarHBondContact O-N 3.48Å
157	S	31.8	Very low	40.2	Very low	104 Å²	104	99.2 Å²	99.2	73%	0.727	54%	0.538	S	S	*	.			trans	-72	79.8	177.7	57.3	0	0	0	0	111.6	N155 Q159	N155-S157 PolarHBondContact O-N 3.43Å; N155-S157 VanDerWaalsContact O-N 3.11Å; S157-Q159 PolarHBondContact O-N 3.09Å
158	K	29.9	Very low	39.8	Very low	190 Å²	190	105.6 Å²	105.6	83%	0.826	55%	0.552	S	S	*	*			trans	-67.4	121.5	165.4	-78.7	-171.4	175	-177.5	0	109	N156 I160	N156-K158 VanDerWaalsContact C-N 3.29Å; N156-K158 PolarHBondContact O-N 3.48Å; K158-I160 PolarHBondContact O-N 2.74Å
159	Q	26.3	Very low	39.8	Very low	180 Å²	180	101.3 Å²	101.3	84%	0.841	53%	0.532	S	S	*	.			trans	-76.2	114.3	176.9	-174.4	174.1	-0.4	0	0	109.3	S157	S157-Q159 PolarHBondContact O-N 3.09Å
160	I	27.7	Very low	39.9	Very low	120 Å²	120	103 Å²	103	62%	0.615	54%	0.543	S	S	*	.			trans	-108.5	117.9	167.1	-62.9	175.9	0	0	0	106.5	K158 L162	K158-I160 PolarHBondContact O-N 2.74Å; I160-L162 HydrophobicContact CG2-CD1 4.33Å; I160-L162 HydrophobicContact CG2-CG 4.25Å; I160-L162 PolarHBondContact O-N 3.09Å
161	C	26.7	Very low	40.6	Very low	99 Å²	99	102.5 Å²	102.5	67%	0.669	54%	0.54	S	S	*	.			trans	-76.9	121	170.2	-62.8	0	0	0	0	108.7
162	L	29.5	Very low	41.6	Very low	63 Å²	63	105.3 Å²	105.3	33%	0.33	56%	0.556	S	S	.	*			trans	-124.1	120.1	159.5	-75.2	165.7	0	0	0	105	E131 A132 N133 I160	E131-L162 WeakPolarHBondContact OE2-CA 3.19Å; E131-L162 WeakPolarHBondContact OE2-CB 3.43Å; A132-L162 VanDerWaalsContact O-CB 3.27Å; A132-L162 WeakPolarHBondContact O-CB 3.38Å; A132-L162 WeakPolarHBondContact O-CD1 3.4Å; N133-L162 PolarHBondContact ND2-O 2.82Å; N133-L162 VanDerWaalsContact ND2-O 3.1Å; I160-L162 HydrophobicContact CG2-CD1 4.33Å; I160-L162 HydrophobicContact CG2-CG 4.25Å; I160-L162 PolarHBondContact O-N 3.09Å
163	D	34	Very low	42.9	Very low	111 Å²	111	104 Å²	104	59%	0.594	55%	0.551	S	S	*	*			trans	-106.8	82.7	-143.1	-176.7	45.4	0	0	0	110.3	E131 H165 S166	E131-D163 VanDerWaalsContact CD-N 3.32Å; E131-D163 PolarHBondContact OE2-N 2.98Å; D163-H165 PolarHBondContact O-N 3.03Å; D163-S166 WeakPolarHBondContact O-CB 3.44Å; D163-S166 PolarHBondContact O-N 2.75Å; D163-S166 PolarHBondContact O-OG 3.46Å; D163-S166 PolarHBondContact OD2-OG 2.75Å
164	Q	32.2	Very low	44.1	Very low	13 Å²	13	104.5 Å²	104.5	6%	0.061	56%	0.555	C	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	0.8	-130.2	-96.7	-99.9	2.6	0	0	119	K126 I128 G129 S130 E131 N133	K126-Q164 PolarHBondContact O-NE2 3.12Å; K126-Q164 VanDerWaalsContact O-NE2 3.1Å; I128-Q164 VanDerWaalsContact C-OE1 3.25Å; I128-Q164 HydrophobicContact CB-CB 3.71Å; I128-Q164 HydrophobicContact CB-CG 3.57Å; I128-Q164 HydrophobicContact CD1-CG 4.12Å; I128-Q164 HydrophobicContact CG1-CB 4.47Å; I128-Q164 HydrophobicContact CG1-CG 3.78Å; I128-Q164 WeakPolarHBondContact O-CB 3.48Å; G129-Q164 CarbonylContact C-O 3.26Å; G129-Q164 VanDerWaalsContact CA-O 3.23Å; G129-Q164 WeakPolarHBondContact CA-O 3.47Å; G129-Q164 VanDerWaalsContact CA-OE1 3.27Å; S130-Q164 PolarHBondContact N-O 2.94Å; E131-Q164 VanDerWaalsContact C-NE2 3.32Å; E131-Q164 HydrophobicContact CB-CG 3.94Å; E131-Q164 PolarHBondContact N-O 3.44Å; E131-Q164 VanDerWaalsContact N-OE1 3.1Å; E131-Q164 VanDerWaalsContact O-CD 3.26Å; E131-Q164 PolarHBondContact O-NE2 3.01Å; E131-Q164 PolarHBondContact O-OE1 3.28Å; E131-Q164 VanDerWaalsContact O-OE1 3.13Å; N133-Q164 HydrophobicContact CB-CG 4.23Å
165	H	36.5	Very low	44.6	Very low	161 Å²	161	108.9 Å²	108.9	75%	0.745	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	16.4	172.7	-74.7	-77.2	0	0	0	113.6	D163	D163-H165 PolarHBondContact O-N 3.03Å
166	S	38.5	Very low	46	Very low	76 Å²	76	105.1 Å²	105.1	53%	0.531	55%	0.551	S	S	.	*			trans	-109.4	-36.7	-173.4	-64.3	0	0	0	0	115.9	E131 D163 Q168	E131-S166 WeakPolarHBondContact OE1-CB 3.15Å; E131-S166 PolarHBondContact OE1-N 3.47Å; D163-S166 WeakPolarHBondContact O-CB 3.44Å; D163-S166 PolarHBondContact O-N 2.75Å; D163-S166 PolarHBondContact O-OG 3.46Å; D163-S166 PolarHBondContact OD2-OG 2.75Å; S166-Q168 PolarHBondContact O-N 2.65Å
167	L	40.9	Very low	47.3	Very low	70 Å²	70	103 Å²	103	37%	0.366	54%	0.537	S	S	.	.			trans	-67.7	119.5	173.3	-62.5	165.4	0	0	0	110.7	S130 E131 L169	S130-L167 PolarHBondContact OG-O 3.48Å; E131-L167 HydrophobicContact CB-CB 4.38Å; E131-L167 HydrophobicContact CB-CD1 3.82Å; E131-L167 HydrophobicContact CB-CG 4.27Å; E131-L167 VanDerWaalsContact CD-CG 3.48Å; E131-L167 HydrophobicContact CG-CB 3.63Å; E131-L167 HydrophobicContact CG-CD1 3.79Å; E131-L167 HydrophobicContact CG-CG 3.66Å; E131-L167 PolarHBondContact OE1-N 3.12Å; L167-L169 VanDerWaalsContact C-N 3.34Å; L167-L169 HydrophobicContact CB-CD2 3.88Å; L167-L169 HydrophobicContact CB-CG 4.34Å; L167-L169 HydrophobicContact CD1-CD2 3.81Å; L167-L169 HydrophobicContact CG-CD2 4.42Å; L167-L169 PolarHBondContact O-N 3.1Å
168	Q	46.1	Very low	48.7	Very low	189 Å²	189	102.6 Å²	102.6	88%	0.883	52%	0.524	S	S	*	.			trans	-73.6	90.8	149.6	-64.2	176	-6.8	0	0	107.3	S166 D170	S166-Q168 PolarHBondContact O-N 2.65Å; Q168-D170 PolarHBondContact O-N 3.14Å
169	L	54.8	Low	49.7	Very low	37 Å²	37	95.5 Å²	95.5	19%	0.194	49%	0.494	C	S	.	.			trans	-67.4	124.8	167.2	-63.8	-171.1	0	0	0	108.8	S130 L167 P171 D176 I179	S130-L169 WeakPolarHBondContact O-CD1 3.42Å; S130-L169 WeakPolarHBondContact O-CG 3.41Å; L167-L169 VanDerWaalsContact C-N 3.34Å; L167-L169 HydrophobicContact CB-CD2 3.88Å; L167-L169 HydrophobicContact CB-CG 4.34Å; L167-L169 HydrophobicContact CD1-CD2 3.81Å; L167-L169 HydrophobicContact CG-CD2 4.42Å; L167-L169 PolarHBondContact O-N 3.1Å; L169-P171 WeakPolarHBondContact O-CD 3.41Å; L169-D176 VanDerWaalsContact CA-OD2 3.31Å; L169-D176 WeakPolarHBondContact CA-OD2 2.93Å; L169-D176 HydrophobicContact CB-CB 4.05Å; L169-D176 HydrophobicContact CD2-CB 4.2Å; L169-D176 WeakPolarHBondContact CD2-OD1 3.2Å; L169-I179 HydrophobicContact CD1-CG2 3.53Å; L169-I179 HydrophobicContact CD2-CG2 3.8Å; L169-I179 HydrophobicContact CG-CG2 4.35Å
170	D	60.6	Low	51	Low	76 Å²	76	89.2 Å²	89.2	41%	0.406	47%	0.47	S	S	.	.			trans	-74.9	117.5	175.5	-171.6	-16.9	0	0	0	109.1	Q168 N172 D173 D176	Q168-D170 PolarHBondContact O-N 3.14Å; D170-N172 PolarHBondContact O-N 2.75Å; D170-N172 VanDerWaalsContact OD1-CB 3.31Å; D170-N172 WeakPolarHBondContact OD1-CB 3.47Å; D170-N172 PolarHBondContact OD1-N 2.88Å; D170-N172 PolarHBondContact OD1-ND2 3.3Å; D170-D173 HydrophobicContact CB-CB 4.08Å; D170-D173 PolarHBondContact O-N 2.76Å; D170-D173 VanDerWaalsContact O-N 3.09Å; D170-D176 PolarHBondContact N-OD2 2.83Å
171	P	62.2	Low	52.3	Low	98 Å²	98	89.4 Å²	89.4	64%	0.636	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.1	176.8	27.7	-36.2	0	0	0	113.6	L169 Q177	L169-P171 WeakPolarHBondContact O-CD 3.41Å; P171-Q177 PolarHBondContact O-NE2 3.39Å
172	N	73.4	Confident	53.1	Low	136 Å²	136	87 Å²	87	73%	0.727	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-17.2	176.6	-51.6	-81.6	0	0	0	113.5	D170	D170-N172 PolarHBondContact O-N 2.75Å; D170-N172 VanDerWaalsContact OD1-CB 3.31Å; D170-N172 WeakPolarHBondContact OD1-CB 3.47Å; D170-N172 PolarHBondContact OD1-N 2.88Å; D170-N172 PolarHBondContact OD1-ND2 3.3Å
173	D	75.9	Confident	53.6	Low	66 Å²	66	84.2 Å²	84.2	35%	0.353	43%	0.431	S	S	.	.			trans	-84.7	138	-180	-179.3	83.9	0	0	0	111.9	D170 Q175 D176 Q177	D170-D173 HydrophobicContact CB-CB 4.08Å; D170-D173 PolarHBondContact O-N 2.76Å; D170-D173 VanDerWaalsContact O-N 3.09Å; D173-Q175 VanDerWaalsContact OD2-CA 3.31Å; D173-Q175 WeakPolarHBondContact OD2-CA 3.28Å; D173-Q175 VanDerWaalsContact OD2-CB 3.27Å; D173-Q175 WeakPolarHBondContact OD2-CB 3.49Å; D173-Q175 PolarHBondContact OD2-N 2.74Å; D173-D176 HydrophobicContact CB-CB 4.12Å; D173-D176 PolarHBondContact OD2-N 2.96Å; D173-Q177 WeakPolarHBondContact O-CG 3.35Å; D173-Q177 PolarHBondContact O-N 3.42Å
174	E	70.4	Confident	54.1	Low	128 Å²	128	84.7 Å²	84.7	60%	0.598	43%	0.434	S	S	*	.	H	α-helix	trans	-76.4	-31.9	-174.7	-151.4	-163.7	144	0	0	112.9	Q178	E174-Q178 WeakPolarHBondContact O-CB 3.45Å; E174-Q178 WeakPolarHBondContact O-CG 3.49Å; E174-Q178 PolarHBondContact O-N 2.98Å; E174-Q178 PolarHBondContact OE1-NE2 3.49Å; E174-Q178 VanDerWaalsContact OE1-NE2 3.1Å
175	Q	60.7	Low	54.5	Low	139 Å²	139	90.3 Å²	90.3	65%	0.65	46%	0.46	S	S	*	.	H	α-helix	trans	-67.8	-44.3	173.5	-58.8	-165.1	-18.5	0	0	110.2	D173 Q177 Q178 I179	D173-Q175 VanDerWaalsContact OD2-CA 3.31Å; D173-Q175 WeakPolarHBondContact OD2-CA 3.28Å; D173-Q175 VanDerWaalsContact OD2-CB 3.27Å; D173-Q175 WeakPolarHBondContact OD2-CB 3.49Å; D173-Q175 PolarHBondContact OD2-N 2.74Å; Q175-Q177 PolarHBondContact O-N 2.96Å; Q175-Q178 WeakPolarHBondContact O-CB 3.43Å; Q175-Q178 PolarHBondContact O-N 3.03Å; Q175-Q178 VanDerWaalsContact O-N 3.09Å; Q175-I179 VanDerWaalsContact O-CB 3.24Å; Q175-I179 WeakPolarHBondContact O-CB 3.39Å; Q175-I179 VanDerWaalsContact O-CG1 3.26Å; Q175-I179 WeakPolarHBondContact O-CG1 3.31Å; Q175-I179 PolarHBondContact O-N 2.6Å
176	D	68.5	Low	54.4	Low	35 Å²	35	85 Å²	85	19%	0.187	44%	0.438	C	S	.	.	H	α-helix	trans	-65.3	-36	178.2	-80.4	-6.3	0	0	0	112.6	L169 D170 D173 I179 S180	L169-D176 VanDerWaalsContact CA-OD2 3.31Å; L169-D176 WeakPolarHBondContact CA-OD2 2.93Å; L169-D176 HydrophobicContact CB-CB 4.05Å; L169-D176 HydrophobicContact CD2-CB 4.2Å; L169-D176 WeakPolarHBondContact CD2-OD1 3.2Å; D170-D176 PolarHBondContact N-OD2 2.83Å; D173-D176 HydrophobicContact CB-CB 4.12Å; D173-D176 PolarHBondContact OD2-N 2.96Å; D176-I179 WeakPolarHBondContact O-CB 3.19Å; D176-S180 WeakPolarHBondContact O-CB 3.41Å; D176-S180 PolarHBondContact O-N 2.79Å
177	Q	66.4	Low	54.6	Low	73 Å²	73	86.1 Å²	86.1	34%	0.341	44%	0.444	S	S	.	.	H	α-helix	trans	-66.8	-40.1	168.1	-73.3	-171.2	27.7	0	0	113.1	P171 D173 Q175 S180 R181	P171-Q177 PolarHBondContact O-NE2 3.39Å; D173-Q177 WeakPolarHBondContact O-CG 3.35Å; D173-Q177 PolarHBondContact O-N 3.42Å; Q175-Q177 PolarHBondContact O-N 2.96Å; Q177-S180 WeakPolarHBondContact O-CB 3.43Å; Q177-S180 PolarHBondContact O-N 3.28Å; Q177-R181 VanDerWaalsContact O-CG 3.28Å; Q177-R181 WeakPolarHBondContact O-CG 3.37Å; Q177-R181 PolarHBondContact O-N 2.94Å
178	Q	61.9	Low	54.9	Low	95 Å²	95	88.4 Å²	88.4	44%	0.444	46%	0.456	S	S	.	.	H	α-helix	trans	-65.3	-42.8	177.2	-74.9	172.6	30.7	0	0	111.5	E174 Q175 R181 V182	E174-Q178 WeakPolarHBondContact O-CB 3.45Å; E174-Q178 WeakPolarHBondContact O-CG 3.49Å; E174-Q178 PolarHBondContact O-N 2.98Å; E174-Q178 PolarHBondContact OE1-NE2 3.49Å; E174-Q178 VanDerWaalsContact OE1-NE2 3.1Å; Q175-Q178 WeakPolarHBondContact O-CB 3.43Å; Q175-Q178 PolarHBondContact O-N 3.03Å; Q175-Q178 VanDerWaalsContact O-N 3.09Å; Q178-R181 PolarHBondContact O-N 3.31Å; Q178-V182 PolarHBondContact O-N 3.43Å
179	I	49.8	Very low	55.7	Low	40 Å²	40	83.6 Å²	83.6	21%	0.205	44%	0.44	C	S	.	.	H	α-helix	trans	-47.8	-63.2	166	-81.5	167.4	0	0	0	108.4	A132 L169 Q175 D176 R181 L183	A132-I179 HydrophobicContact CB-CB 4.25Å; A132-I179 HydrophobicContact CB-CG1 4.2Å; A132-I179 HydrophobicContact CB-CG2 3.53Å; L169-I179 HydrophobicContact CD1-CG2 3.53Å; L169-I179 HydrophobicContact CD2-CG2 3.8Å; L169-I179 HydrophobicContact CG-CG2 4.35Å; Q175-I179 VanDerWaalsContact O-CB 3.24Å; Q175-I179 WeakPolarHBondContact O-CB 3.39Å; Q175-I179 VanDerWaalsContact O-CG1 3.26Å; Q175-I179 WeakPolarHBondContact O-CG1 3.31Å; Q175-I179 PolarHBondContact O-N 2.6Å; D176-I179 WeakPolarHBondContact O-CB 3.19Å; I179-R181 VanDerWaalsContact C-N 3.28Å; I179-R181 PolarHBondContact O-N 3.38Å; I179-R181 VanDerWaalsContact O-N 3.15Å; I179-L183 HydrophobicContact CG2-CD1 3.89Å; I179-L183 WeakPolarHBondContact O-CB 3.13Å; I179-L183 WeakPolarHBondContact O-CD1 3.27Å; I179-L183 WeakPolarHBondContact O-CG 3.17Å; I179-L183 PolarHBondContact O-N 3.46Å
180	S	53.4	Low	56.4	Low	49 Å²	49	83.8 Å²	83.8	34%	0.343	44%	0.439	S	S	.	.	H	α-helix	trans	-51.1	-37.6	179	-169.6	0	0	0	0	114.9	D176 Q177 L183 N184	D176-S180 WeakPolarHBondContact O-CB 3.41Å; D176-S180 PolarHBondContact O-N 2.79Å; Q177-S180 WeakPolarHBondContact O-CB 3.43Å; Q177-S180 PolarHBondContact O-N 3.28Å; S180-L183 WeakPolarHBondContact O-CB 3.41Å; S180-N184 PolarHBondContact O-ND2 3.27Å
181	R	55.5	Low	56.8	Low	124 Å²	124	82.9 Å²	82.9	47%	0.468	43%	0.434	S	S	.	.	H	α-helix	trans	-73.1	-57.6	-176.5	-72.4	173.2	-145.6	147.9	2.8	113.7	Q177 Q178 I179 L183 N184	Q177-R181 VanDerWaalsContact O-CG 3.28Å; Q177-R181 WeakPolarHBondContact O-CG 3.37Å; Q177-R181 PolarHBondContact O-N 2.94Å; Q178-R181 PolarHBondContact O-N 3.31Å; I179-R181 VanDerWaalsContact C-N 3.28Å; I179-R181 PolarHBondContact O-N 3.38Å; I179-R181 VanDerWaalsContact O-N 3.15Å; R181-L183 PolarHBondContact O-N 2.89Å; R181-N184 PolarHBondContact O-N 3.09Å
182	V	43.9	Very low	57	Low	49 Å²	49	80.2 Å²	80.2	30%	0.297	42%	0.417	S	S	.	.	H	α-helix	trans	-66.3	-27	-175.6	-167.9	0	0	0	0	110.6	L125 Q178 N184 Q185	L125-V182 HydrophobicContact CB-CB 4.03Å; L125-V182 HydrophobicContact CB-CG1 4.05Å; L125-V182 HydrophobicContact CD1-CB 3.84Å; L125-V182 HydrophobicContact CD1-CG1 3.62Å; L125-V182 HydrophobicContact CD2-CB 4.17Å; L125-V182 HydrophobicContact CG-CB 4.2Å; L125-V182 HydrophobicContact CG-CG1 4.31Å; Q178-V182 PolarHBondContact O-N 3.43Å; V182-N184 PolarHBondContact O-N 3.22Å; V182-Q185 VanDerWaalsContact O-CB 3.24Å; V182-Q185 WeakPolarHBondContact O-CB 3.48Å; V182-Q185 PolarHBondContact O-N 3.48Å
183	L	40.6	Very low	57.1	Low	4 Å²	4	75.5 Å²	75.5	2%	0.021	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.8	175.8	-94.8	178.1	0	0	0	116.8	L125 K126 M127 E131 A132 I179 S180 R181 Q185	L125-L183 HydrophobicContact CB-CB 4.35Å; L125-L183 HydrophobicContact CB-CD2 3.84Å; L125-L183 HydrophobicContact CB-CG 3.97Å; L125-L183 HydrophobicContact CD2-CG 4.09Å; L125-L183 CarbonylContact O-C 3.53Å; L125-L183 WeakPolarHBondContact O-CA 3.33Å; K126-L183 VanDerWaalsContact O-CD2 3.23Å; K126-L183 WeakPolarHBondContact O-CD2 3.27Å; M127-L183 HydrophobicContact CE-CD1 3.76Å; M127-L183 HydrophobicContact CG-CB 3.48Å; M127-L183 VanDerWaalsContact CG-CB 3.48Å; M127-L183 HydrophobicContact CG-CD1 3.93Å; M127-L183 HydrophobicContact CG-CD2 3.88Å; M127-L183 HydrophobicContact CG-CG 3.97Å; M127-L183 VanDerWaalsContact N-CD2 3.33Å; M127-L183 PolarHBondContact N-O 2.9Å; M127-L183 HydrophobicContact SD-CB 4.24Å; M127-L183 HydrophobicContact SD-CD1 4.3Å; E131-L183 WeakPolarHBondContact O-CD1 3.36Å; A132-L183 VanDerWaalsContact CA-CD1 3.49Å; A132-L183 VanDerWaalsContact CA-CD2 3.44Å; A132-L183 HydrophobicContact CB-CD1 3.74Å; A132-L183 HydrophobicContact CB-CD2 3.93Å; A132-L183 HydrophobicContact CB-CG 3.9Å; I179-L183 HydrophobicContact CG2-CD1 3.89Å; I179-L183 WeakPolarHBondContact O-CB 3.13Å; I179-L183 WeakPolarHBondContact O-CD1 3.27Å; I179-L183 WeakPolarHBondContact O-CG 3.17Å; I179-L183 PolarHBondContact O-N 3.46Å; S180-L183 WeakPolarHBondContact O-CB 3.41Å; R181-L183 PolarHBondContact O-N 2.89Å; L183-Q185 VanDerWaalsContact C-N 3.3Å
184	N	44.2	Very low	57.3	Low	121 Å²	121	72.4 Å²	72.4	65%	0.647	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-89.7	10.4	178.5	-77.7	-82.4	0	0	0	112.6	S180 R181 V182	S180-N184 PolarHBondContact O-ND2 3.27Å; R181-N184 PolarHBondContact O-N 3.09Å; V182-N184 PolarHBondContact O-N 3.22Å
185	Q	40.4	Very low	57.7	Low	131 Å²	131	68.1 Å²	68.1	61%	0.612	36%	0.36	S	S	*	.			trans	-113.9	11.4	-168.5	-54.6	179.9	-12.4	0	0	115.4	V182 L183	V182-Q185 VanDerWaalsContact O-CB 3.24Å; V182-Q185 WeakPolarHBondContact O-CB 3.48Å; V182-Q185 PolarHBondContact O-N 3.48Å; L183-Q185 VanDerWaalsContact C-N 3.3Å
186	V	35.4	Very low	58.7	Low	48 Å²	48	67.9 Å²	67.9	29%	0.291	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-69.7	130.2	178.6	-174.8	0	0	0	0	111.6	L125 K126 N188	L125-V186 WeakPolarHBondContact O-CG2 3.41Å; K126-V186 HydrophobicContact CB-CG2 3.57Å; K126-V186 HydrophobicContact CD-CG1 4.44Å; K126-V186 HydrophobicContact CD-CG2 4.37Å; K126-V186 HydrophobicContact CG-CB 4.3Å; K126-V186 HydrophobicContact CG-CG2 3.66Å; V186-N188 PolarHBondContact O-N 2.67Å
187	P	41.5	Very low	59.6	Low	100 Å²	100	66.5 Å²	66.5	65%	0.649	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-57.8	134.9	175.7	-26.5	35.3	0	0	0	113.2	T189	P187-T189 PolarHBondContact O-N 3.06Å
188	N	47.9	Very low	60.6	Low	118 Å²	118	64 Å²	64	63%	0.631	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-57.6	118.5	166.2	-71	-53.3	0	0	0	109.2	V186 S192 L193	V186-N188 PolarHBondContact O-N 2.67Å; N188-S192 WeakPolarHBondContact CA-OG 3.46Å; N188-S192 WeakPolarHBondContact CB-OG 3.49Å; N188-L193 HydrophobicContact CB-CD2 3.77Å; N188-L193 HydrophobicContact CB-CG 4Å
189	T	62.9	Low	61.7	Low	88 Å²	88	63 Å²	63	54%	0.54	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-68.1	155.7	174.3	63.2	0	0	0	0	110.4	P187 M191 S192 L193	P187-T189 PolarHBondContact O-N 3.06Å; T189-M191 PolarHBondContact O-N 3.22Å; T189-M191 VanDerWaalsContact O-N 3.09Å; T189-S192 PolarHBondContact N-OG 3.12Å; T189-S192 WeakPolarHBondContact O-CA 3.45Å; T189-S192 PolarHBondContact O-N 3.33Å; T189-S192 PolarHBondContact O-OG 3.04Å; T189-S192 PolarHBondContact OG1-N 2.98Å; T189-L193 PolarHBondContact O-N 3.29Å
190	F	68.6	Low	63.6	Low	41 Å²	41	64.5 Å²	64.5	18%	0.18	34%	0.338	C	S	.	.	H	α-helix	trans	-47.4	-40.6	172.2	-174.5	-82.8	0	0	0	112.1	S192 L193 L194 M807 E831 M835 L838	F190-S192 PolarHBondContact O-N 3.09Å; F190-L193 PolarHBondContact O-N 3.13Å; F190-L194 HydrophobicContact CD1-CB 4.5Å; F190-L194 HydrophobicContact CE1-CB 4.36Å; F190-L194 HydrophobicContact CE1-CD2 4.32Å; F190-L194 VanDerWaalsContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CB 3.25Å; F190-L194 PolarHBondContact O-N 3.04Å; F190-M807 HydrophobicContact CD1-CE 3.86Å; F190-M807 HydrophobicContact CD1-SD 3.9Å; F190-M807 HydrophobicContact CD2-CE 4.45Å; F190-M807 HydrophobicContact CE1-CE 3.34Å; F190-M807 HydrophobicContact CE1-SD 3.41Å; F190-M807 WeakPolarHBondContact CE1-SD 3.34Å; F190-M807 HydrophobicContact CE2-CE 3.98Å; F190-M807 HydrophobicContact CG-CE 4.4Å; F190-M807 HydrophobicContact CZ-CE 3.4Å; F190-M807 VanDerWaalsContact CZ-CE 3.4Å; F190-M807 HydrophobicContact CZ-SD 4.07Å; F190-E831 HydrophobicContact CD2-CG 4.3Å; F190-E831 WeakPolarHBondContact CD2-OE1 3.26Å; F190-E831 HydrophobicContact CE2-CG 4Å; F190-M835 HydrophobicContact CD2-CG 4.06Å; F190-M835 HydrophobicContact CD2-SD 4.04Å; F190-M835 HydrophobicContact CE1-CG 4.22Å; F190-M835 HydrophobicContact CE2-CG 3.39Å; F190-M835 HydrophobicContact CE2-SD 3.98Å; F190-M835 HydrophobicContact CZ-CG 3.48Å; F190-M835 VanDerWaalsContact CZ-CG 3.48Å; F190-M835 HydrophobicContact CZ-SD 4.46Å; F190-L838 HydrophobicContact CE1-CD1 4.04Å; F190-L838 HydrophobicContact CZ-CD1 3.75Å
191	M	69.3	Low	65.4	Low	58 Å²	58	62.6 Å²	62.6	29%	0.286	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-38.1	176.9	-62.5	-48.6	-54.7	0	0	113.6	T189 L194 S195 L218 I219	T189-M191 PolarHBondContact O-N 3.22Å; T189-M191 VanDerWaalsContact O-N 3.09Å; M191-L194 HydrophobicContact CE-CD2 3.98Å; M191-L194 HydrophobicContact SD-CD2 4.49Å; M191-S195 WeakPolarHBondContact O-CB 3.25Å; M191-S195 PolarHBondContact O-N 3.08Å; M191-L218 WeakPolarHBondContact CE-O 3.36Å; M191-I219 HydrophobicContact CE-CG1 3.87Å
192	S	67.2	Low	66.9	Low	42 Å²	42	59.2 Å²	59.2	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-71	-35.2	175.2	66.9	0	0	0	0	112.6	N188 T189 F190 S195 R196	N188-S192 WeakPolarHBondContact CA-OG 3.46Å; N188-S192 WeakPolarHBondContact CB-OG 3.49Å; T189-S192 PolarHBondContact N-OG 3.12Å; T189-S192 WeakPolarHBondContact O-CA 3.45Å; T189-S192 PolarHBondContact O-N 3.33Å; T189-S192 PolarHBondContact O-OG 3.04Å; T189-S192 PolarHBondContact OG1-N 2.98Å; F190-S192 PolarHBondContact O-N 3.09Å; S192-S195 PolarHBondContact O-N 3.11Å; S192-R196 WeakPolarHBondContact O-CB 3.44Å; S192-R196 PolarHBondContact O-N 3.39Å
193	L	74.4	Confident	69	Low	37 Å²	37	64.6 Å²	64.6	19%	0.194	34%	0.336	C	S	.	.	H	α-helix	trans	-68.8	-45.7	173.9	-63.6	176.7	0	0	0	110.9	N188 T189 F190 S195 R196 E197 M835	N188-L193 HydrophobicContact CB-CD2 3.77Å; N188-L193 HydrophobicContact CB-CG 4Å; T189-L193 PolarHBondContact O-N 3.29Å; F190-L193 PolarHBondContact O-N 3.13Å; L193-S195 VanDerWaalsContact C-N 3.33Å; L193-S195 PolarHBondContact O-N 2.86Å; L193-R196 WeakPolarHBondContact O-CB 3.37Å; L193-R196 PolarHBondContact O-N 3.46Å; L193-R196 VanDerWaalsContact O-N 3.1Å; L193-E197 WeakPolarHBondContact O-CG 3.45Å; L193-E197 PolarHBondContact O-N 2.98Å; L193-M835 HydrophobicContact CB-CE 4.29Å; L193-M835 HydrophobicContact CB-SD 3.39Å; L193-M835 WeakPolarHBondContact CB-SD 3.5Å; L193-M835 HydrophobicContact CD1-CE 4.15Å; L193-M835 HydrophobicContact CD1-SD 3.99Å; L193-M835 HydrophobicContact CG-SD 4.34Å
194	L	80.6	Confident	71.3	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-57.4	-43.5	172.6	177.6	64	0	0	0	111.9	F190 M191 E197 K198 L218 L838 A839	F190-L194 HydrophobicContact CD1-CB 4.5Å; F190-L194 HydrophobicContact CE1-CB 4.36Å; F190-L194 HydrophobicContact CE1-CD2 4.32Å; F190-L194 VanDerWaalsContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CB 3.25Å; F190-L194 PolarHBondContact O-N 3.04Å; M191-L194 HydrophobicContact CE-CD2 3.98Å; M191-L194 HydrophobicContact SD-CD2 4.49Å; L194-E197 PolarHBondContact O-N 3.03Å; L194-K198 WeakPolarHBondContact O-CG 3.44Å; L194-K198 PolarHBondContact O-N 3.41Å; L194-L218 HydrophobicContact CD2-CB 4.24Å; L194-L218 HydrophobicContact CD2-CD1 4.09Å; L194-L838 HydrophobicContact CD1-CB 3.68Å; L194-A839 HydrophobicContact CD1-CB 4.03Å
195	S	78.5	Confident	73.4	Confident	38 Å²	38	67.2 Å²	67.2	27%	0.266	34%	0.344	S	S	.	.	H	α-helix	trans	-59.7	-46.3	173.3	-163.6	0	0	0	0	111	M191 S192 L193 E197 K198 D199	M191-S195 WeakPolarHBondContact O-CB 3.25Å; M191-S195 PolarHBondContact O-N 3.08Å; S192-S195 PolarHBondContact O-N 3.11Å; L193-S195 VanDerWaalsContact C-N 3.33Å; L193-S195 PolarHBondContact O-N 2.86Å; S195-E197 PolarHBondContact O-N 2.69Å; S195-K198 CarbonylContact O-C 3.58Å; S195-K198 WeakPolarHBondContact O-CB 3.48Å; S195-K198 PolarHBondContact O-N 3.07Å; S195-K198 VanDerWaalsContact O-N 3.16Å; S195-D199 WeakPolarHBondContact O-CB 3.13Å; S195-D199 PolarHBondContact O-N 3.23Å
196	R	81.5	Confident	75.5	Confident	133 Å²	133	64.5 Å²	64.5	50%	0.502	34%	0.338	S	S	.	.	H	α-helix	trans	-62.6	-41.4	179.1	-169.3	-163.5	71.4	179.6	1.1	113	S192 L193 K198 D199 M200	S192-R196 WeakPolarHBondContact O-CB 3.44Å; S192-R196 PolarHBondContact O-N 3.39Å; L193-R196 WeakPolarHBondContact O-CB 3.37Å; L193-R196 PolarHBondContact O-N 3.46Å; L193-R196 VanDerWaalsContact O-N 3.1Å; R196-K198 VanDerWaalsContact C-N 3.35Å; R196-D199 PolarHBondContact O-N 2.88Å; R196-M200 WeakPolarHBondContact O-CB 3.33Å; R196-M200 PolarHBondContact O-N 3.1Å
197	E	88.1	Confident	77.9	Confident	6 Å²	6	69.4 Å²	69.4	3%	0.028	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-36.8	174.9	-59	-57.8	115.3	0	0	111	L193 L194 S195 M200 F201 M835 K836 A839	L193-E197 WeakPolarHBondContact O-CG 3.45Å; L193-E197 PolarHBondContact O-N 2.98Å; L194-E197 PolarHBondContact O-N 3.03Å; S195-E197 PolarHBondContact O-N 2.69Å; E197-M200 WeakPolarHBondContact O-CB 3.11Å; E197-M200 PolarHBondContact O-N 3.11Å; E197-F201 WeakPolarHBondContact O-CD2 3.46Å; E197-F201 PolarHBondContact O-N 3.35Å; E197-M835 HydrophobicContact CG-CB 4.38Å; E197-K836 HydrophobicContact CG-CG 4.46Å; E197-K836 VanDerWaalsContact OE2-CE 3.26Å; E197-K836 WeakPolarHBondContact OE2-CE 3.34Å; E197-K836 WeakPolarHBondContact OE2-CG 3.05Å; E197-A839 HydrophobicContact CB-CB 3.95Å
198	K	86.9	Confident	79.9	Confident	21 Å²	21	66.7 Å²	66.7	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-47.5	171.3	-75.9	-177.8	55.2	170.7	0	112.3	L194 S195 R196 M200 F201 V202 S216 I219 A839 D842 L843	L194-K198 WeakPolarHBondContact O-CG 3.44Å; L194-K198 PolarHBondContact O-N 3.41Å; S195-K198 CarbonylContact O-C 3.58Å; S195-K198 WeakPolarHBondContact O-CB 3.48Å; S195-K198 PolarHBondContact O-N 3.07Å; S195-K198 VanDerWaalsContact O-N 3.16Å; R196-K198 VanDerWaalsContact C-N 3.35Å; K198-M200 PolarHBondContact O-N 2.83Å; K198-F201 PolarHBondContact O-N 2.89Å; K198-F201 VanDerWaalsContact O-N 3.07Å; K198-V202 WeakPolarHBondContact O-CG2 3.4Å; K198-V202 PolarHBondContact O-N 3.4Å; K198-S216 VanDerWaalsContact NZ-CB 3.29Å; K198-S216 PolarHBondContact NZ-OG 2.78Å; K198-I219 HydrophobicContact CD-CD1 4.06Å; K198-A839 HydrophobicContact CB-CB 4.45Å; K198-A839 HydrophobicContact CG-CB 3.53Å; K198-D842 IonicContact NZ-OD2 2.68Å; K198-D842 PolarHBondContact NZ-OD2 2.81Å; K198-L843 HydrophobicContact CB-CD1 4.26Å; K198-L843 HydrophobicContact CG-CD1 4.25Å; K198-L843 HydrophobicContact CG-CG 4.2Å
199	D	85.8	Confident	81.6	Confident	74 Å²	74	61.5 Å²	61.5	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-34.6	177.1	-65.1	-33.2	0	0	0	111.2	S195 R196 K203	S195-D199 WeakPolarHBondContact O-CB 3.13Å; S195-D199 PolarHBondContact O-N 3.23Å; R196-D199 PolarHBondContact O-N 2.88Å; D199-K203 WeakPolarHBondContact O-CB 3.43Å; D199-K203 VanDerWaalsContact O-CD 3.29Å; D199-K203 WeakPolarHBondContact O-CD 3.31Å; D199-K203 WeakPolarHBondContact O-CG 3.18Å; D199-K203 PolarHBondContact O-N 3.29Å
200	M	89.2	Confident	82.1	Confident	72 Å²	72	63.8 Å²	63.8	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-48.8	171.6	-178.8	-172.5	65.2	0	0	111.4	R196 E197 K198 V202 K203 L204	R196-M200 WeakPolarHBondContact O-CB 3.33Å; R196-M200 PolarHBondContact O-N 3.1Å; E197-M200 WeakPolarHBondContact O-CB 3.11Å; E197-M200 PolarHBondContact O-N 3.11Å; K198-M200 PolarHBondContact O-N 2.83Å; M200-V202 PolarHBondContact O-N 2.91Å; M200-K203 PolarHBondContact O-N 2.95Å; M200-L204 HydrophobicContact CG-CD1 3.9Å; M200-L204 HydrophobicContact CG-CG 4.42Å; M200-L204 WeakPolarHBondContact O-CB 3.35Å; M200-L204 VanDerWaalsContact O-CG 3.29Å; M200-L204 WeakPolarHBondContact O-CG 3.47Å; M200-L204 PolarHBondContact O-N 2.88Å
201	F	90.4	Very high	82.4	Confident	8 Å²	8	67.8 Å²	67.8	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-61.7	-39.7	175.9	-79.2	-63.8	0	0	0	113	E197 K198 L204 Y205 F209 H757 A839 I840 L843	E197-F201 WeakPolarHBondContact O-CD2 3.46Å; E197-F201 PolarHBondContact O-N 3.35Å; K198-F201 PolarHBondContact O-N 2.89Å; K198-F201 VanDerWaalsContact O-N 3.07Å; F201-L204 PolarHBondContact O-N 2.88Å; F201-Y205 HydrophobicContact CD1-CD2 4.24Å; F201-Y205 HydrophobicContact CD1-CE2 4.05Å; F201-Y205 PolarHBondContact O-N 3.06Å; F201-F209 HydrophobicContact CB-CE2 4.38Å; F201-H757 HydrophobicContact CE1-CB 4.44Å; F201-H757 HydrophobicContact CZ-CB 4.2Å; F201-A839 HydrophobicContact CD2-CB 3.93Å; F201-A839 HydrophobicContact CE2-CB 4.01Å; F201-I840 HydrophobicContact CD1-CD1 3.86Å; F201-I840 HydrophobicContact CD2-CB 4.31Å; F201-I840 HydrophobicContact CE1-CB 4.36Å; F201-I840 HydrophobicContact CE1-CD1 4.04Å; F201-I840 HydrophobicContact CE1-CG1 4.34Å; F201-I840 HydrophobicContact CE2-CB 3.89Å; F201-I840 HydrophobicContact CG-CD1 4.12Å; F201-I840 HydrophobicContact CZ-CB 3.91Å; F201-I840 HydrophobicContact CZ-CD1 4.44Å; F201-I840 HydrophobicContact CZ-CG1 4.38Å; F201-L843 HydrophobicContact CB-CD1 3.44Å; F201-L843 VanDerWaalsContact CB-CD1 3.44Å; F201-L843 HydrophobicContact CD2-CD1 4.43Å; F201-L843 HydrophobicContact CG-CD1 4.27Å
202	V	87.7	Confident	82.7	Confident	53 Å²	53	68.4 Å²	68.4	32%	0.321	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-37.7	174.8	177.1	0	0	0	0	111.6	K198 M200 Y205 P206 F209 L843	K198-V202 WeakPolarHBondContact O-CG2 3.4Å; K198-V202 PolarHBondContact O-N 3.4Å; M200-V202 PolarHBondContact O-N 2.91Å; V202-Y205 CarbonylContact O-C 3.58Å; V202-P206 VanDerWaalsContact O-CA 3.28Å; V202-P206 WeakPolarHBondContact O-CA 3.35Å; V202-P206 VanDerWaalsContact O-N 3.17Å; V202-F209 HydrophobicContact CG2-CB 3.99Å; V202-F209 HydrophobicContact CG2-CD2 4.46Å; V202-F209 HydrophobicContact CG2-CG 4.45Å; V202-L843 HydrophobicContact CG2-CD1 4.2Å; V202-L843 HydrophobicContact CG2-CD2 3.92Å
203	K	88.9	Confident	82.8	Confident	163 Å²	163	73.3 Å²	73.3	71%	0.709	35%	0.346	S	S	*	.	H	α-helix	trans	-71.2	-32.2	175.3	-73.5	163.2	-172.1	164.9	0	113.4	D199 M200	D199-K203 WeakPolarHBondContact O-CB 3.43Å; D199-K203 VanDerWaalsContact O-CD 3.29Å; D199-K203 WeakPolarHBondContact O-CD 3.31Å; D199-K203 WeakPolarHBondContact O-CG 3.18Å; D199-K203 PolarHBondContact O-N 3.29Å; M200-K203 PolarHBondContact O-N 2.95Å
204	L	88.2	Confident	82.5	Confident	105 Å²	105	75.6 Å²	75.6	55%	0.55	36%	0.362	S	S	.	.	H	α-helix	trans	-76.5	-35.8	176.5	-72.3	170.2	0	0	0	112.5	M200 F201 P206	M200-L204 HydrophobicContact CG-CD1 3.9Å; M200-L204 HydrophobicContact CG-CG 4.42Å; M200-L204 WeakPolarHBondContact O-CB 3.35Å; M200-L204 VanDerWaalsContact O-CG 3.29Å; M200-L204 WeakPolarHBondContact O-CG 3.47Å; M200-L204 PolarHBondContact O-N 2.88Å; F201-L204 PolarHBondContact O-N 2.88Å; L204-P206 VanDerWaalsContact C-CD 3.47Å
205	Y	88.5	Confident	81.6	Confident	75 Å²	75	81.8 Å²	81.8	29%	0.294	39%	0.391	S	S	.	.			trans	-130.6	56.6	-173.6	-51.9	-74.1	0	0	0	112.8	F201 V202 E207 L208 F209 L756	F201-Y205 HydrophobicContact CD1-CD2 4.24Å; F201-Y205 HydrophobicContact CD1-CE2 4.05Å; F201-Y205 PolarHBondContact O-N 3.06Å; V202-Y205 CarbonylContact O-C 3.58Å; Y205-E207 VanDerWaalsContact C-N 3.3Å; Y205-E207 PolarHBondContact O-N 3.24Å; Y205-L208 HydrophobicContact CD1-CD1 4.42Å; Y205-L208 HydrophobicContact CG-CD1 4.35Å; Y205-L208 PolarHBondContact O-N 2.82Å; Y205-F209 HydrophobicContact CD2-CE2 4.32Å; Y205-F209 WeakPolarHBondContact O-CD2 3.28Å; Y205-F209 PolarHBondContact O-N 2.9Å; Y205-L756 HydrophobicContact CD1-CD2 3.81Å; Y205-L756 HydrophobicContact CD2-CD2 4Å; Y205-L756 HydrophobicContact CE1-CD2 3.66Å; Y205-L756 HydrophobicContact CE2-CB 4.49Å; Y205-L756 HydrophobicContact CE2-CD2 3.85Å; Y205-L756 HydrophobicContact CG-CD2 3.98Å
206	P	84.9	Confident	81.1	Confident	74 Å²	74	81.2 Å²	81.2	48%	0.481	39%	0.386	S	S	.	.	H	α-helix	trans	-59.7	-38.9	-173.3	23.5	-34	0	0	0	112.5	V202 L204 L208 F209 E210	V202-P206 VanDerWaalsContact O-CA 3.28Å; V202-P206 WeakPolarHBondContact O-CA 3.35Å; V202-P206 VanDerWaalsContact O-N 3.17Å; L204-P206 VanDerWaalsContact C-CD 3.47Å; P206-L208 PolarHBondContact O-N 3.43Å; P206-F209 PolarHBondContact O-N 3.22Å; P206-E210 WeakPolarHBondContact O-CB 3.43Å; P206-E210 PolarHBondContact O-N 2.84Å
207	E	84.1	Confident	80.3	Confident	151 Å²	151	77.5 Å²	77.5	71%	0.706	38%	0.381	S	S	*	.	H	α-helix	trans	-64.8	-19.4	178.8	-64.9	-170.8	-156.7	0	0	114.4	Y205 K850	Y205-E207 VanDerWaalsContact C-N 3.3Å; Y205-E207 PolarHBondContact O-N 3.24Å; E207-K850 PolarHBondContact O-NZ 3.14Å
208	L	84.2	Confident	79.1	Confident	42 Å²	42	78.4 Å²	78.4	22%	0.22	39%	0.386	C	S	.	.	H	α-helix	trans	-87.3	-36.8	176.6	-62.5	-173.1	0	0	0	112	Y205 P206 L756 D779 F781	Y205-L208 HydrophobicContact CD1-CD1 4.42Å; Y205-L208 HydrophobicContact CG-CD1 4.35Å; Y205-L208 PolarHBondContact O-N 2.82Å; P206-L208 PolarHBondContact O-N 3.43Å; L208-L756 HydrophobicContact CD1-CD1 4Å; L208-L756 HydrophobicContact CD1-CD2 3.74Å; L208-D779 HydrophobicContact CD1-CB 3.9Å; L208-F781 HydrophobicContact CB-CE1 4.09Å; L208-F781 HydrophobicContact CB-CZ 3.89Å; L208-F781 HydrophobicContact CD2-CZ 4.16Å; L208-F781 HydrophobicContact CG-CZ 4.47Å
209	F	84.3	Confident	77.7	Confident	9 Å²	9	79.7 Å²	79.7	4%	0.039	39%	0.393	C	S	.	.	H	α-helix	trans	-108.5	3.1	-171.5	-55.9	-57.5	0	0	0	114.7	F201 V202 Y205 P206 K211 M212 L756 F781 I840 L843	F201-F209 HydrophobicContact CB-CE2 4.38Å; V202-F209 HydrophobicContact CG2-CB 3.99Å; V202-F209 HydrophobicContact CG2-CD2 4.46Å; V202-F209 HydrophobicContact CG2-CG 4.45Å; Y205-F209 HydrophobicContact CD2-CE2 4.32Å; Y205-F209 WeakPolarHBondContact O-CD2 3.28Å; Y205-F209 PolarHBondContact O-N 2.9Å; P206-F209 PolarHBondContact O-N 3.22Å; F209-K211 PolarHBondContact O-N 3.34Å; F209-M212 HydrophobicContact CB-SD 4.44Å; F209-M212 HydrophobicContact CD1-SD 4.41Å; F209-L756 HydrophobicContact CZ-CD1 4.21Å; F209-F781 HydrophobicContact CD1-CE1 4.36Å; F209-F781 HydrophobicContact CE1-CD1 4.41Å; F209-F781 AromaticContact CE1-CE1 3.73Å; F209-F781 HydrophobicContact CE1-CE1 3.73Å; F209-F781 HydrophobicContact CZ-CE1 4.34Å; F209-I840 HydrophobicContact CE2-CD1 4.41Å; F209-I840 HydrophobicContact CZ-CD1 3.85Å; F209-L843 HydrophobicContact CD1-CB 3.93Å; F209-L843 HydrophobicContact CD1-CD2 4.43Å; F209-L843 HydrophobicContact CD2-CD1 4.41Å; F209-L843 HydrophobicContact CE1-CB 3.61Å; F209-L843 HydrophobicContact CE2-CD1 4.3Å; F209-L843 HydrophobicContact CZ-CB 3.99Å; F209-L843 HydrophobicContact CZ-CD1 4.43Å
210	E	73.7	Confident	76	Confident	136 Å²	136	77.1 Å²	77.1	64%	0.636	38%	0.381	S	S	*	.	S	Bend	trans	-49.4	-36.9	171.7	-175.8	-164.1	-166	0	0	113.1	P206	P206-E210 WeakPolarHBondContact O-CB 3.43Å; P206-E210 PolarHBondContact O-N 2.84Å
211	K	73.4	Confident	74	Confident	125 Å²	125	75.4 Å²	75.4	54%	0.543	38%	0.376	S	S	.	.	S	Bend	trans	-127	117.7	-176.5	-61.2	-167.9	-178.4	-171.3	0	110.8	F209 H848	F209-K211 PolarHBondContact O-N 3.34Å; K211-H848 HydrophobicContact CB-CB 3.94Å; K211-H848 WeakPolarHBondContact O-CB 3.27Å; K211-H848 PolarHBondContact O-N 2.53Å
212	M	75.6	Confident	71.7	Confident	71 Å²	71	77.1 Å²	77.1	35%	0.35	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-109.1	142.2	179.5	-57	-64.1	-85.6	0	0	109.5	F209 L843 N846	F209-M212 HydrophobicContact CB-SD 4.44Å; F209-M212 HydrophobicContact CD1-SD 4.41Å; M212-L843 HydrophobicContact CE-CD2 3.76Å; M212-N846 CarbonylContact C-O 3.51Å; M212-N846 WeakPolarHBondContact CA-O 3.11Å; M212-N846 HydrophobicContact CE-CB 3.54Å
213	R	70.2	Confident	69.6	Low	145 Å²	145	78.6 Å²	78.6	55%	0.547	40%	0.396	S	S	.	.	S	Bend	trans	-72.1	-32.1	177.3	-61.2	177.2	65	99	5.9	112.4	N846 A847 H848	R213-N846 PolarHBondContact N-O 2.83Å; R213-A847 VanDerWaalsContact CD-O 3.24Å; R213-A847 WeakPolarHBondContact CD-O 3.47Å; R213-A847 WeakPolarHBondContact CG-O 3.49Å; R213-H848 HydrophobicContact CG-CB 4.24Å
214	T	66.9	Low	67.5	Low	86 Å²	86	75 Å²	75	53%	0.528	39%	0.388	S	S	.	.	S	Bend	trans	-155.7	154.4	-168.6	25.1	0	0	0	0	109.6	N846	T214-N846 WeakPolarHBondContact CB-OD1 3.44Å; T214-N846 PolarHBondContact OG1-OD1 3.2Å
215	E	63.6	Low	65.6	Low	131 Å²	131	73.4 Å²	73.4	61%	0.612	38%	0.378	S	S	*	.			trans	-67.3	157.8	168.9	-65.7	-172.6	173.3	0	0	111.4	S217 S221	E215-S217 PolarHBondContact O-N 3.41Å; E215-S221 WeakPolarHBondContact OE2-CB 3.21Å; E215-S221 PolarHBondContact OE2-OG 3.03Å
216	S	66.7	Low	64.3	Low	25 Å²	25	75.1 Å²	75.1	18%	0.175	39%	0.391	C	S	.	.			trans	-65.1	120.7	-178.8	-174.6	0	0	0	0	111.9	K198 L218 I219 D842	K198-S216 VanDerWaalsContact NZ-CB 3.29Å; K198-S216 PolarHBondContact NZ-OG 2.78Å; S216-L218 PolarHBondContact O-N 3.11Å; S216-L218 PolarHBondContact OG-N 3.37Å; S216-I219 PolarHBondContact O-N 2.97Å; S216-I219 VanDerWaalsContact O-O 3.13Å; S216-I219 PolarHBondContact OG-N 3.22Å; S216-D842 WeakPolarHBondContact CB-OD2 3.43Å; S216-D842 VanDerWaalsContact OG-CG 3.31Å; S216-D842 PolarHBondContact OG-OD1 3.37Å; S216-D842 PolarHBondContact OG-OD2 3.41Å
217	S	65.7	Low	63.5	Low	56 Å²	56	74.6 Å²	74.6	39%	0.392	38%	0.383	S	S	.	.	S	Bend	trans	-70.8	-17.4	173.2	70.9	0	0	0	0	113.3	E215	E215-S217 PolarHBondContact O-N 3.41Å
218	L	61.5	Low	62.9	Low	25 Å²	25	72.1 Å²	72.1	13%	0.131	38%	0.379	C	S	.	.	S	Bend	trans	-79.2	-34.2	175.5	-62.8	-177.5	0	0	0	112.6	M191 L194 S216 V805 L838 D842	M191-L218 WeakPolarHBondContact CE-O 3.36Å; L194-L218 HydrophobicContact CD2-CB 4.24Å; L194-L218 HydrophobicContact CD2-CD1 4.09Å; S216-L218 PolarHBondContact O-N 3.11Å; S216-L218 PolarHBondContact OG-N 3.37Å; L218-V805 HydrophobicContact CD1-CG1 4.44Å; L218-V805 WeakPolarHBondContact CD2-O 3.48Å; L218-L838 HydrophobicContact CD1-CB 4.33Å; L218-L838 HydrophobicContact CD1-CD2 4.19Å; L218-D842 HydrophobicContact CD1-CB 3.69Å; L218-D842 HydrophobicContact CG-CB 4.34Å
219	I	59	Low	62.4	Low	47 Å²	47	72.2 Å²	72.2	24%	0.241	38%	0.379	C	S	.	.	S	Bend	trans	-114.4	103.8	-174.8	-54.8	179.5	0	0	0	109.8	M191 K198 S216 S221	M191-I219 HydrophobicContact CE-CG1 3.87Å; K198-I219 HydrophobicContact CD-CD1 4.06Å; S216-I219 PolarHBondContact O-N 2.97Å; S216-I219 VanDerWaalsContact O-O 3.13Å; S216-I219 PolarHBondContact OG-N 3.22Å; I219-S221 PolarHBondContact O-N 2.76Å
220	P	50.4	Low	61.8	Low	20 Å²	20	78.7 Å²	78.7	13%	0.13	42%	0.423	C	S	.	.			trans	-62.7	128.8	179.3	-22	33.2	0	0	0	112.8	S241 F279	P220-S241 WeakPolarHBondContact CA-OG 3.47Å; P220-S241 VanDerWaalsContact CB-OG 3.31Å; P220-S241 WeakPolarHBondContact CB-OG 3.41Å; P220-F279 HydrophobicContact CB-CE1 4.14Å; P220-F279 HydrophobicContact CG-CE1 3.95Å
221	S	45.7	Very low	62	Low	37 Å²	37	78.2 Å²	78.2	26%	0.259	43%	0.425	S	S	.	.			trans	-91.9	170.9	176.6	60.3	0	0	0	0	113.3	E215 I219 S241	E215-S221 WeakPolarHBondContact OE2-CB 3.21Å; E215-S221 PolarHBondContact OE2-OG 3.03Å; I219-S221 PolarHBondContact O-N 2.76Å; S221-S241 PolarHBondContact N-OG 2.77Å; S221-S241 WeakPolarHBondContact O-CB 3.37Å; S221-S241 PolarHBondContact O-N 2.84Å; S221-S241 VanDerWaalsContact O-N 3.12Å; S221-S241 PolarHBondContact O-OG 3.36Å
222	T	43.1	Very low	61.6	Low	43 Å²	43	75 Å²	75	26%	0.264	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.2	165.1	27.9	0	0	0	0	109.9	V238 K239 Y272	T222-V238 HydrophobicContact CG2-CG1 3.59Å; T222-K239 WeakPolarHBondContact CA-O 3.47Å; T222-Y272 HydrophobicContact CG2-CD1 3.74Å; T222-Y272 HydrophobicContact CG2-CE1 3.97Å; T222-Y272 WeakPolarHBondContact CG2-O 3.35Å; T222-Y272 WeakPolarHBondContact OG1-CE1 3.38Å
223	T	42.8	Very low	60.9	Low	84 Å²	84	74.1 Å²	74.1	52%	0.515	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.9	169.1	25.7	0	0	0	0	110.2	K239	T223-K239 PolarHBondContact N-O 3.2Å; T223-K239 PolarHBondContact O-N 3Å
224	T	44.8	Very low	60.4	Low	88 Å²	88	71.3 Å²	71.3	54%	0.54	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.6	-178.7	-57.7	0	0	0	0	109.5	T236 V238	T224-T236 HydrophobicContact CG2-CG2 3.39Å; T224-V238 HydrophobicContact CG2-CG2 4.43Å
225	E	48.4	Very low	59.7	Low	72 Å²	72	70.3 Å²	70.3	34%	0.336	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.2	-175.2	179.8	173.1	-113.1	0	0	109.2	I227 R237 K239	E225-I227 HydrophobicContact CG-CG1 4.2Å; E225-I227 PolarHBondContact O-N 3.37Å; E225-R237 HydrophobicContact CB-CB 4.45Å; E225-R237 WeakPolarHBondContact CB-O 3.45Å; E225-R237 PolarHBondContact N-O 3.16Å; E225-R237 PolarHBondContact O-N 3.11Å; E225-K239 IonicContact OE1-NZ 2.76Å; E225-K239 PolarHBondContact OE1-NZ 3.22Å; E225-K239 WeakPolarHBondContact OE2-CE 3.25Å; E225-K239 IonicContact OE2-NZ 2.66Å; E225-K239 PolarHBondContact OE2-NZ 3.32Å
226	I	61.9	Low	59	Low	111 Å²	111	68 Å²	68	57%	0.569	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	111	178.7	-55.9	176.8	0	0	0	108.5	T234	I226-T234 HydrophobicContact CG2-CG2 4.15Å
227	I	67.1	Low	58	Low	62 Å²	62	73.9 Å²	73.9	32%	0.318	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.6	178.6	-57.4	172.6	0	0	0	107.8	E225 T234 T235 R237	E225-I227 HydrophobicContact CG-CG1 4.2Å; E225-I227 PolarHBondContact O-N 3.37Å; I227-T234 CarbonylContact O-C 3.33Å; I227-T234 WeakPolarHBondContact O-CA 3.45Å; I227-T235 PolarHBondContact N-O 3.17Å; I227-T235 PolarHBondContact O-N 3.36Å; I227-R237 HydrophobicContact CD1-CB 4.11Å
228	T	71.5	Confident	57	Low	100 Å²	100	74.5 Å²	74.5	61%	0.613	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.5	169.9	-52.2	0	0	0	0	108.8
229	N	75.2	Confident	56.2	Low	43 Å²	43	78 Å²	78	23%	0.23	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-76.5	159.6	178.5	-60.4	-29.9	0	0	0	110.3	D231 G232 S233 T235	N229-D231 VanDerWaalsContact CB-OD1 3.27Å; N229-D231 WeakPolarHBondContact CB-OD1 3.22Å; N229-D231 PolarHBondContact O-N 2.84Å; N229-G232 PolarHBondContact O-N 3.17Å; N229-S233 WeakPolarHBondContact CB-O 3.45Å; N229-S233 PolarHBondContact N-O 2.91Å; N229-S233 PolarHBondContact ND2-OG 2.82Å; N229-T235 VanDerWaalsContact CG-OG1 3.23Å; N229-T235 PolarHBondContact ND2-OG1 2.99Å; N229-T235 PolarHBondContact OD1-OG1 3.03Å
230	P	70.2	Confident	55.5	Low	146 Å²	146	77.5 Å²	77.5	95%	0.948	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.4	-179.1	-24.9	35.7	0	0	0	115.9
231	D	78.7	Confident	55.2	Low	126 Å²	126	78.2 Å²	78.2	67%	0.674	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.7	175.4	63.5	2.2	0	0	0	113.6	N229 S233	N229-D231 VanDerWaalsContact CB-OD1 3.27Å; N229-D231 WeakPolarHBondContact CB-OD1 3.22Å; N229-D231 PolarHBondContact O-N 2.84Å; D231-S233 VanDerWaalsContact OD1-CB 3.31Å; D231-S233 WeakPolarHBondContact OD1-CB 3.2Å; D231-S233 PolarHBondContact OD1-N 2.73Å; D231-S233 PolarHBondContact OD1-OG 3.06Å; D231-S233 PolarHBondContact OD2-OG 3.27Å
232	G	64.5	Low	55.1	Low	58 Å²	58	82.5 Å²	82.5	60%	0.598	47%	0.469	S	S	*	.	S	Bend	trans	87.2	-3.2	-176.6	0	0	0	0	0	115.1	N229	N229-G232 PolarHBondContact O-N 3.17Å
233	S	62.2	Low	54.9	Low	51 Å²	51	82.4 Å²	82.4	36%	0.357	47%	0.471	S	S	.	.			trans	-75.4	158.3	171.2	69	0	0	0	0	111.5	N229 D231	N229-S233 WeakPolarHBondContact CB-O 3.45Å; N229-S233 PolarHBondContact N-O 2.91Å; N229-S233 PolarHBondContact ND2-OG 2.82Å; D231-S233 VanDerWaalsContact OD1-CB 3.31Å; D231-S233 WeakPolarHBondContact OD1-CB 3.2Å; D231-S233 PolarHBondContact OD1-N 2.73Å; D231-S233 PolarHBondContact OD1-OG 3.06Å; D231-S233 PolarHBondContact OD2-OG 3.27Å
234	T	59.1	Low	54.7	Low	87 Å²	87	83.8 Å²	83.8	53%	0.534	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	112.7	-177.3	54.4	0	0	0	0	112.6	I226 I227	I226-T234 HydrophobicContact CG2-CG2 4.15Å; I227-T234 CarbonylContact O-C 3.33Å; I227-T234 WeakPolarHBondContact O-CA 3.45Å
235	T	51.6	Low	54.2	Low	64 Å²	64	83.5 Å²	83.5	39%	0.393	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	110.3	170.8	-57.3	0	0	0	0	110.2	I227 N229 R237	I227-T235 PolarHBondContact N-O 3.17Å; I227-T235 PolarHBondContact O-N 3.36Å; N229-T235 VanDerWaalsContact CG-OG1 3.23Å; N229-T235 PolarHBondContact ND2-OG1 2.99Å; N229-T235 PolarHBondContact OD1-OG1 3.03Å; T235-R237 PolarHBondContact O-N 3.35Å
236	T	49	Very low	53.6	Low	82 Å²	82	82.2 Å²	82.2	50%	0.503	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114	173.5	-61.1	0	0	0	0	110.3	T224	T224-T236 HydrophobicContact CG2-CG2 3.39Å
237	R	45.5	Very low	52.5	Low	149 Å²	149	83.1 Å²	83.1	56%	0.562	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	108.9	-177.7	-169.4	-179.9	-167.5	175	6.1	110.9	E225 I227 T235	E225-R237 HydrophobicContact CB-CB 4.45Å; E225-R237 WeakPolarHBondContact CB-O 3.45Å; E225-R237 PolarHBondContact N-O 3.16Å; E225-R237 PolarHBondContact O-N 3.11Å; I227-R237 HydrophobicContact CD1-CB 4.11Å; T235-R237 PolarHBondContact O-N 3.35Å
238	V	44.5	Very low	51.3	Low	70 Å²	70	86.1 Å²	86.1	42%	0.424	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.5	176.3	-177.2	0	0	0	0	110.5	T222 T224	T222-V238 HydrophobicContact CG2-CG1 3.59Å; T224-V238 HydrophobicContact CG2-CG2 4.43Å
239	K	45.3	Very low	49.8	Very low	98 Å²	98	83.5 Å²	83.5	43%	0.426	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	105.2	170.7	-78	169.6	173.4	164.9	0	109.3	T222 T223 E225	T222-K239 WeakPolarHBondContact CA-O 3.47Å; T223-K239 PolarHBondContact N-O 3.2Å; T223-K239 PolarHBondContact O-N 3Å; E225-K239 IonicContact OE1-NZ 2.76Å; E225-K239 PolarHBondContact OE1-NZ 3.22Å; E225-K239 WeakPolarHBondContact OE2-CE 3.25Å; E225-K239 IonicContact OE2-NZ 2.66Å; E225-K239 PolarHBondContact OE2-NZ 3.32Å
240	S	44.4	Very low	48.3	Very low	37 Å²	37	89.9 Å²	89.9	26%	0.259	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.9	172.2	55.4	0	0	0	0	111.8	Y272	S240-Y272 WeakPolarHBondContact CA-O 3.31Å; S240-Y272 WeakPolarHBondContact CB-O 3.28Å
241	S	43.1	Very low	47	Very low	34 Å²	34	88.6 Å²	88.6	24%	0.238	47%	0.468	C	S	.	.			trans	-68	156.9	164	71	0	0	0	0	111	P220 S221 Y272	P220-S241 WeakPolarHBondContact CA-OG 3.47Å; P220-S241 VanDerWaalsContact CB-OG 3.31Å; P220-S241 WeakPolarHBondContact CB-OG 3.41Å; S221-S241 PolarHBondContact N-OG 2.77Å; S221-S241 WeakPolarHBondContact O-CB 3.37Å; S221-S241 PolarHBondContact O-N 2.84Å; S221-S241 VanDerWaalsContact O-N 3.12Å; S221-S241 PolarHBondContact O-OG 3.36Å; S241-Y272 PolarHBondContact O-N 3.1Å
242	K	44.2	Very low	45.9	Very low	128 Å²	128	87.4 Å²	87.4	56%	0.557	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	111.5	-179.4	-68.5	175.8	-179.4	-171	0	109.1	V270 E271	K242-V270 WeakPolarHBondContact CA-O 3.37Å; K242-E271 WeakPolarHBondContact CE-OE1 3.47Å; K242-E271 HydrophobicContact CG-CB 4.34Å; K242-E271 HydrophobicContact CG-CG 4.2Å; K242-E271 IonicContact NZ-OE1 2.7Å; K242-E271 PolarHBondContact NZ-OE1 3.38Å
243	S	38.3	Very low	45.3	Very low	41 Å²	41	87.3 Å²	87.3	29%	0.287	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	153.5	167.6	-168.2	0	0	0	0	109.6	F269 V270	S243-F269 WeakPolarHBondContact O-CA 3.32Å; S243-V270 PolarHBondContact N-O 2.99Å; S243-V270 PolarHBondContact O-N 3Å
244	Y	39.8	Very low	45.3	Very low	113 Å²	113	92.3 Å²	92.3	44%	0.443	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.9	176	70.1	-90.6	0	0	0	112.5	A268	Y244-A268 CarbonylContact C-O 3.57Å; Y244-A268 VanDerWaalsContact CA-O 3.25Å; Y244-A268 WeakPolarHBondContact CA-O 3.39Å
245	S	34.6	Very low	45.2	Very low	81 Å²	81	91.4 Å²	91.4	57%	0.566	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	149.3	163.8	-173.1	0	0	0	0	109.2	R267 A268	S245-R267 WeakPolarHBondContact O-CA 3.17Å; S245-A268 PolarHBondContact N-O 3.48Å; S245-A268 PolarHBondContact O-N 3.37Å
246	S	35.4	Very low	45.4	Very low	45 Å²	45	96.1 Å²	96.1	32%	0.315	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	117.5	174.5	63.1	0	0	0	0	110.2	F266	S246-F266 CarbonylContact C-O 3.58Å; S246-F266 VanDerWaalsContact CA-O 3.28Å; S246-F266 WeakPolarHBondContact CA-O 3.37Å
247	H	37.8	Very low	45.5	Very low	130 Å²	130	95.5 Å²	95.5	60%	0.602	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.3	-179.6	-166	-89.8	0	0	0	110.5	K265 F266	H247-K265 WeakPolarHBondContact O-CA 3.24Å; H247-F266 PolarHBondContact N-O 3.32Å; H247-F266 PolarHBondContact O-N 3.44Å
248	F	43	Very low	44.9	Very low	126 Å²	126	93 Å²	93	55%	0.553	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	109.6	176.6	-65.5	-89.8	0	0	0	109.5	S264 K265	F248-S264 CarbonylContact C-O 3.5Å; F248-S264 WeakPolarHBondContact CA-O 3.49Å; F248-K265 HydrophobicContact CD1-CB 4Å; F248-K265 HydrophobicContact CD1-CD 4.44Å; F248-K265 HydrophobicContact CD1-CG 3.94Å; F248-K265 HydrophobicContact CE1-CB 4.02Å; F248-K265 HydrophobicContact CE1-CD 3.65Å; F248-K265 HydrophobicContact CE1-CG 3.62Å; F248-K265 HydrophobicContact CZ-CD 4Å; F248-K265 HydrophobicContact CZ-CG 4.1Å
249	S	39.5	Very low	45.6	Very low	45 Å²	45	94.4 Å²	94.4	32%	0.315	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	141.1	165.8	-173.2	0	0	0	0	109.9	K263 S264	S249-K263 WeakPolarHBondContact O-CA 3.32Å; S249-S264 PolarHBondContact N-O 2.96Å; S249-S264 PolarHBondContact O-N 3.15Å
250	R	44	Very low	45.8	Very low	177 Å²	177	95.8 Å²	95.8	67%	0.668	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	123	164.7	-69	-176.8	-174.9	-172	4.6	107.3	M261 S262 K263	R250-M261 HydrophobicContact CB-CE 4.33Å; R250-S262 WeakPolarHBondContact CA-O 3.15Å; R250-K263 HydrophobicContact CG-CG 4.27Å
251	Q	42.8	Very low	45.9	Very low	118 Å²	118	98.5 Å²	98.5	55%	0.551	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.5	175.6	-161.9	177.5	3.1	0	0	109.3	T253 S262	Q251-T253 HydrophobicContact CG-CG2 4.38Å; Q251-S262 WeakPolarHBondContact CB-OG 3.44Å; Q251-S262 PolarHBondContact N-O 3.37Å; Q251-S262 PolarHBondContact O-N 2.91Å
252	E	55.7	Low	46.2	Very low	102 Å²	102	98.9 Å²	98.9	48%	0.477	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.3	171.7	-46.3	-154.3	141.8	0	0	108.2	K259 M261	E252-K259 WeakPolarHBondContact OE1-CE 3.38Å; E252-K259 IonicContact OE1-NZ 3.91Å; E252-K259 PolarHBondContact OE1-NZ 3.15Å; E252-K259 VanDerWaalsContact OE2-CE 3.28Å; E252-K259 WeakPolarHBondContact OE2-CE 3.18Å; E252-K259 IonicContact OE2-NZ 3.92Å; E252-K259 PolarHBondContact OE2-NZ 3.33Å; E252-M261 HydrophobicContact CB-SD 4.4Å; E252-M261 HydrophobicContact CG-SD 3.73Å
253	T	51.6	Low	46.2	Very low	55 Å²	55	100.1 Å²	100.1	34%	0.337	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.5	177.3	43.9	0	0	0	0	109.7	Q251 K260	Q251-T253 HydrophobicContact CG-CG2 4.38Å; T253-K260 PolarHBondContact N-O 2.88Å; T253-K260 WeakPolarHBondContact O-CA 3.15Å; T253-K260 PolarHBondContact O-N 3.39Å
254	Y	62.9	Low	46.6	Very low	156 Å²	156	100.8 Å²	100.8	61%	0.612	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	115.7	176.2	-74.8	-100.4	0	0	0	108.9	K259	Y254-K259 HydrophobicContact CD1-CB 4.25Å; Y254-K259 HydrophobicContact CE1-CB 3.84Å
255	V	55.5	Low	46.8	Very low	68 Å²	68	98.5 Å²	98.5	41%	0.412	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.7	177.1	-176.1	0	0	0	0	107.5	G257 V258 K260	V255-G257 PolarHBondContact O-N 3.22Å; V255-V258 PolarHBondContact N-O 3.46Å; V255-V258 WeakPolarHBondContact O-CB 3.3Å; V255-V258 PolarHBondContact O-N 3.43Å; V255-K260 HydrophobicContact CG2-CD 4.34Å
256	N	57.6	Low	47.3	Very low	164 Å²	164	99.2 Å²	99.2	88%	0.877	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40.9	-175.2	-56.9	-5.4	0	0	0	112.9	V258	N256-V258 PolarHBondContact O-N 3.06Å; N256-V258 VanDerWaalsContact O-N 3.17Å
257	G	49.7	Very low	47.6	Very low	68 Å²	68	100.8 Å²	100.8	70%	0.701	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-11.3	-176.5	0	0	0	0	0	115.3	V255	V255-G257 PolarHBondContact O-N 3.22Å
258	V	33.2	Very low	47.8	Very low	96 Å²	96	95.9 Å²	95.9	58%	0.582	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	125.1	177.9	-175.3	0	0	0	0	110.1	V255 N256 K260	V255-V258 PolarHBondContact N-O 3.46Å; V255-V258 WeakPolarHBondContact O-CB 3.3Å; V255-V258 PolarHBondContact O-N 3.43Å; N256-V258 PolarHBondContact O-N 3.06Å; N256-V258 VanDerWaalsContact O-N 3.17Å; V258-K260 PolarHBondContact O-N 3.19Å
259	K	58.7	Low	47.9	Very low	100 Å²	100	93 Å²	93	44%	0.435	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	109.8	174.1	175.7	167.4	169.6	157.2	0	110.6	E252 Y254	E252-K259 WeakPolarHBondContact OE1-CE 3.38Å; E252-K259 IonicContact OE1-NZ 3.91Å; E252-K259 PolarHBondContact OE1-NZ 3.15Å; E252-K259 VanDerWaalsContact OE2-CE 3.28Å; E252-K259 WeakPolarHBondContact OE2-CE 3.18Å; E252-K259 IonicContact OE2-NZ 3.92Å; E252-K259 PolarHBondContact OE2-NZ 3.33Å; Y254-K259 HydrophobicContact CD1-CB 4.25Å; Y254-K259 HydrophobicContact CE1-CB 3.84Å
260	K	50.1	Low	48.1	Very low	128 Å²	128	93.1 Å²	93.1	56%	0.557	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	152.4	165.3	-77.3	-172.4	172.8	-176.8	0	110.7	T253 V255 V258	T253-K260 PolarHBondContact N-O 2.88Å; T253-K260 WeakPolarHBondContact O-CA 3.15Å; T253-K260 PolarHBondContact O-N 3.39Å; V255-K260 HydrophobicContact CG2-CD 4.34Å; V258-K260 PolarHBondContact O-N 3.19Å
261	M	47.2	Very low	48.2	Very low	93 Å²	93	85.4 Å²	85.4	46%	0.458	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.1	174.1	-68.3	-72	-63.5	0	0	108	R250 E252	R250-M261 HydrophobicContact CB-CE 4.33Å; E252-M261 HydrophobicContact CB-SD 4.4Å; E252-M261 HydrophobicContact CG-SD 3.73Å
262	S	48.6	Very low	48.5	Very low	43 Å²	43	82 Å²	82	30%	0.301	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	156.1	161	70.4	0	0	0	0	110.4	R250 Q251	R250-S262 WeakPolarHBondContact CA-O 3.15Å; Q251-S262 WeakPolarHBondContact CB-OG 3.44Å; Q251-S262 PolarHBondContact N-O 3.37Å; Q251-S262 PolarHBondContact O-N 2.91Å
263	K	45.1	Very low	48.4	Very low	154 Å²	154	81.4 Å²	81.4	67%	0.67	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.2	169.4	-71.6	175.7	-177.1	170.4	0	107.6	S249 R250	S249-K263 WeakPolarHBondContact O-CA 3.32Å; R250-K263 HydrophobicContact CG-CG 4.27Å
264	S	45.5	Very low	48.1	Very low	54 Å²	54	78.9 Å²	78.9	38%	0.378	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.4	173.9	-55.8	0	0	0	0	109.3	F248 S249	F248-S264 CarbonylContact C-O 3.5Å; F248-S264 WeakPolarHBondContact CA-O 3.49Å; S249-S264 PolarHBondContact N-O 2.96Å; S249-S264 PolarHBondContact O-N 3.15Å
265	K	44.5	Very low	46.9	Very low	66 Å²	66	75.8 Å²	75.8	29%	0.287	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	100.7	-177.3	-177	-170.8	-176.5	180	0	110	H247 F248	H247-K265 WeakPolarHBondContact O-CA 3.24Å; F248-K265 HydrophobicContact CD1-CB 4Å; F248-K265 HydrophobicContact CD1-CD 4.44Å; F248-K265 HydrophobicContact CD1-CG 3.94Å; F248-K265 HydrophobicContact CE1-CB 4.02Å; F248-K265 HydrophobicContact CE1-CD 3.65Å; F248-K265 HydrophobicContact CE1-CG 3.62Å; F248-K265 HydrophobicContact CZ-CD 4Å; F248-K265 HydrophobicContact CZ-CG 4.1Å
266	F	44.8	Very low	46.2	Very low	95 Å²	95	79.9 Å²	79.9	42%	0.417	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	133	174.1	-56.5	-82.3	0	0	0	109.1	S246 H247 D285	S246-F266 CarbonylContact C-O 3.58Å; S246-F266 VanDerWaalsContact CA-O 3.28Å; S246-F266 WeakPolarHBondContact CA-O 3.37Å; H247-F266 PolarHBondContact N-O 3.32Å; H247-F266 PolarHBondContact O-N 3.44Å; F266-D285 WeakPolarHBondContact CD1-OD1 3.32Å
267	R	42.4	Very low	45.4	Very low	79 Å²	79	73.7 Å²	73.7	30%	0.298	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.1	169.4	-88.6	174.7	158.8	143.7	-12.9	110.2	S245 F269 L283 S284	S245-R267 WeakPolarHBondContact O-CA 3.17Å; R267-F269 HydrophobicContact CB-CE2 4.01Å; R267-F269 HydrophobicContact CB-CZ 4.02Å; R267-L283 CarbonylContact O-C 3.51Å; R267-L283 VanDerWaalsContact O-CA 3.29Å; R267-L283 WeakPolarHBondContact O-CA 3.48Å; R267-S284 PolarHBondContact N-O 2.88Å; R267-S284 PolarHBondContact O-N 2.92Å
268	A	41.3	Very low	45.1	Very low	27 Å²	27	71.6 Å²	71.6	22%	0.223	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.1	170.9	0	0	0	0	0	109.3	Y244 S245 K282 L283	Y244-A268 CarbonylContact C-O 3.57Å; Y244-A268 VanDerWaalsContact CA-O 3.25Å; Y244-A268 WeakPolarHBondContact CA-O 3.39Å; S245-A268 PolarHBondContact N-O 3.48Å; S245-A268 PolarHBondContact O-N 3.37Å; A268-K282 CarbonylContact C-O 3.59Å; A268-K282 VanDerWaalsContact CA-O 3.31Å; A268-K282 WeakPolarHBondContact CA-O 3.38Å; A268-L283 HydrophobicContact CB-CD2 3.64Å
269	F	44.6	Very low	45.6	Very low	64 Å²	64	72.5 Å²	72.5	28%	0.281	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.8	178.5	-51.7	-92.3	0	0	0	109.9	S243 R267 V281 K282 S284	S243-F269 WeakPolarHBondContact O-CA 3.32Å; R267-F269 HydrophobicContact CB-CE2 4.01Å; R267-F269 HydrophobicContact CB-CZ 4.02Å; F269-V281 CarbonylContact O-C 3.54Å; F269-V281 VanDerWaalsContact O-CA 3.29Å; F269-V281 WeakPolarHBondContact O-CA 3.48Å; F269-K282 HydrophobicContact CB-CB 4.47Å; F269-K282 HydrophobicContact CD2-CB 4.41Å; F269-K282 PolarHBondContact N-O 3.49Å; F269-K282 PolarHBondContact O-N 3.05Å; F269-S284 WeakPolarHBondContact CE2-OG 3.32Å
270	V	43.5	Very low	45	Very low	48 Å²	48	71.5 Å²	71.5	29%	0.291	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112	169.6	-179.4	0	0	0	0	107.7	K242 S243 F279 Q280	K242-V270 WeakPolarHBondContact CA-O 3.37Å; S243-V270 PolarHBondContact N-O 2.99Å; S243-V270 PolarHBondContact O-N 3Å; V270-F279 HydrophobicContact CG1-CB 4.2Å; V270-F279 HydrophobicContact CG1-CD1 3.76Å; V270-F279 HydrophobicContact CG1-CG 4.39Å; V270-Q280 WeakPolarHBondContact CA-O 3.4Å
271	E	47.8	Very low	44.6	Very low	16 Å²	16	70.3 Å²	70.3	8%	0.075	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.4	-179.9	-177.3	174.7	-130.8	0	0	108.5	K242 K273 Q280 K282	K242-E271 WeakPolarHBondContact CE-OE1 3.47Å; K242-E271 HydrophobicContact CG-CB 4.34Å; K242-E271 HydrophobicContact CG-CG 4.2Å; K242-E271 IonicContact NZ-OE1 2.7Å; K242-E271 PolarHBondContact NZ-OE1 3.38Å; E271-K273 VanDerWaalsContact CD-CE 3.46Å; E271-K273 HydrophobicContact CG-CG 4.09Å; E271-K273 WeakPolarHBondContact OE2-CE 3.42Å; E271-K273 IonicContact OE2-NZ 3.58Å; E271-Q280 PolarHBondContact N-O 3.49Å; E271-Q280 PolarHBondContact O-N 2.99Å; E271-K282 IonicContact OE2-NZ 2.69Å; E271-K282 PolarHBondContact OE2-NZ 3.44Å
272	Y	48	Very low	44.7	Very low	45 Å²	45	70.5 Å²	70.5	18%	0.176	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	102.5	179.2	178.3	-121.5	0	0	0	110.8	T222 S240 S241 G274 G278 F279	T222-Y272 HydrophobicContact CG2-CD1 3.74Å; T222-Y272 HydrophobicContact CG2-CE1 3.97Å; T222-Y272 WeakPolarHBondContact CG2-O 3.35Å; T222-Y272 WeakPolarHBondContact OG1-CE1 3.38Å; S240-Y272 WeakPolarHBondContact CA-O 3.31Å; S240-Y272 WeakPolarHBondContact CB-O 3.28Å; S241-Y272 PolarHBondContact O-N 3.1Å; Y272-G274 VanDerWaalsContact CE2-O 3.3Å; Y272-G274 WeakPolarHBondContact CE2-O 3.48Å; Y272-G274 VanDerWaalsContact CZ-C 3.48Å; Y272-G274 PolarHBondContact O-N 3.42Å; Y272-G274 VanDerWaalsContact O-N 3.1Å; Y272-G274 PolarHBondContact OH-O 2.94Å; Y272-G278 CarbonylContact C-O 3.58Å; Y272-G278 WeakPolarHBondContact CA-O 3.21Å; Y272-G278 WeakPolarHBondContact CD2-O 3.33Å; Y272-F279 AromaticContact CD2-CD1 3.69Å; Y272-F279 HydrophobicContact CD2-CD1 3.69Å; Y272-F279 HydrophobicContact CD2-CD2 4.16Å; Y272-F279 AromaticContact CD2-CE1 3.54Å; Y272-F279 HydrophobicContact CD2-CE1 3.54Å; Y272-F279 HydrophobicContact CD2-CE2 4.02Å; Y272-F279 HydrophobicContact CD2-CG 4Å; Y272-F279 AromaticContact CD2-CZ 3.71Å; Y272-F279 HydrophobicContact CD2-CZ 3.71Å; Y272-F279 HydrophobicContact CE2-CE1 4.41Å; Y272-F279 HydrophobicContact CE2-CE2 4.23Å; Y272-F279 HydrophobicContact CE2-CZ 4.14Å; Y272-F279 HydrophobicContact CG-CD1 4.03Å; Y272-F279 AromaticContact CG-CE1 3.7Å; Y272-F279 HydrophobicContact CG-CE1 3.7Å; Y272-F279 HydrophobicContact CG-CZ 4.17Å
273	K	54.8	Low	44.3	Very low	91 Å²	91	75.2 Å²	75.2	40%	0.396	39%	0.39	S	S	.	.			trans	-85.3	35.1	-173.8	-67.7	-153.9	172.3	-166.3	0	114.1	E271 G277 G278	E271-K273 VanDerWaalsContact CD-CE 3.46Å; E271-K273 HydrophobicContact CG-CG 4.09Å; E271-K273 WeakPolarHBondContact OE2-CE 3.42Å; E271-K273 IonicContact OE2-NZ 3.58Å; K273-G277 WeakPolarHBondContact O-CA 3.2Å; K273-G277 PolarHBondContact O-N 2.79Å; K273-G278 PolarHBondContact N-O 2.99Å
274	G	43.6	Very low	44.4	Very low	1 Å²	1	70 Å²	70	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	73.7	-174	-179.2	0	0	0	0	0	113.6	Y272 D276 G277 G278	Y272-G274 VanDerWaalsContact CE2-O 3.3Å; Y272-G274 WeakPolarHBondContact CE2-O 3.48Å; Y272-G274 VanDerWaalsContact CZ-C 3.48Å; Y272-G274 PolarHBondContact O-N 3.42Å; Y272-G274 VanDerWaalsContact O-N 3.1Å; Y272-G274 PolarHBondContact OH-O 2.94Å; G274-D276 VanDerWaalsContact C-N 3.28Å; G274-D276 PolarHBondContact O-N 2.92Å; G274-G277 PolarHBondContact O-N 2.81Å; G274-G278 PolarHBondContact O-N 3.49Å
275	P	38.7	Very low	44	Very low	91 Å²	91	73.1 Å²	73.1	59%	0.591	39%	0.385	S	S	*	.	H	α-helix	trans	-53	-45	-174.1	-26.8	35.6	0	0	0	112.9
276	D	39.5	Very low	43.8	Very low	154 Å²	154	71.6 Å²	71.6	82%	0.824	39%	0.389	S	S	*	.	H	α-helix	trans	-85.7	-27.4	-171.7	-31.6	-71	0	0	0	112.3	G274	G274-D276 VanDerWaalsContact C-N 3.28Å; G274-D276 PolarHBondContact O-N 2.92Å
277	G	41.9	Very low	43.2	Very low	34 Å²	34	73.8 Å²	73.8	35%	0.351	40%	0.404	S	S	.	.	H	α-helix	trans	-93.2	-19.5	-176.6	0	0	0	0	0	115.2	K273 G274	K273-G277 WeakPolarHBondContact O-CA 3.2Å; K273-G277 PolarHBondContact O-N 2.79Å; G274-G277 PolarHBondContact O-N 2.81Å
278	G	42.8	Very low	42.9	Very low	25 Å²	25	78 Å²	78	26%	0.258	43%	0.428	S	S	.	.			trans	61.4	-162.7	176.6	0	0	0	0	0	114.8	Y272 K273 G274	Y272-G278 CarbonylContact C-O 3.58Å; Y272-G278 WeakPolarHBondContact CA-O 3.21Å; Y272-G278 WeakPolarHBondContact CD2-O 3.33Å; K273-G278 PolarHBondContact N-O 2.99Å; G274-G278 PolarHBondContact O-N 3.49Å
279	F	44.7	Very low	42.6	Very low	114 Å²	114	85.3 Å²	85.3	50%	0.5	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.5	177.8	-61.8	-81.3	0	0	0	111	P220 V270 Y272	P220-F279 HydrophobicContact CB-CE1 4.14Å; P220-F279 HydrophobicContact CG-CE1 3.95Å; V270-F279 HydrophobicContact CG1-CB 4.2Å; V270-F279 HydrophobicContact CG1-CD1 3.76Å; V270-F279 HydrophobicContact CG1-CG 4.39Å; Y272-F279 AromaticContact CD2-CD1 3.69Å; Y272-F279 HydrophobicContact CD2-CD1 3.69Å; Y272-F279 HydrophobicContact CD2-CD2 4.16Å; Y272-F279 AromaticContact CD2-CE1 3.54Å; Y272-F279 HydrophobicContact CD2-CE1 3.54Å; Y272-F279 HydrophobicContact CD2-CE2 4.02Å; Y272-F279 HydrophobicContact CD2-CG 4Å; Y272-F279 AromaticContact CD2-CZ 3.71Å; Y272-F279 HydrophobicContact CD2-CZ 3.71Å; Y272-F279 HydrophobicContact CE2-CE1 4.41Å; Y272-F279 HydrophobicContact CE2-CE2 4.23Å; Y272-F279 HydrophobicContact CE2-CZ 4.14Å; Y272-F279 HydrophobicContact CG-CD1 4.03Å; Y272-F279 AromaticContact CG-CE1 3.7Å; Y272-F279 HydrophobicContact CG-CE1 3.7Å; Y272-F279 HydrophobicContact CG-CZ 4.17Å
280	Q	46	Very low	42	Very low	79 Å²	79	90.1 Å²	90.1	37%	0.369	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136	172.6	-62.2	-170.4	-14.7	0	0	110.7	V270 E271	V270-Q280 WeakPolarHBondContact CA-O 3.4Å; E271-Q280 PolarHBondContact N-O 3.49Å; E271-Q280 PolarHBondContact O-N 2.99Å
281	V	42.1	Very low	41.3	Very low	103 Å²	103	94.9 Å²	94.9	62%	0.624	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.9	175.4	-173.1	0	0	0	0	110.2	F269	F269-V281 CarbonylContact O-C 3.54Å; F269-V281 VanDerWaalsContact O-CA 3.29Å; F269-V281 WeakPolarHBondContact O-CA 3.48Å
282	K	49.4	Very low	40.4	Very low	98 Å²	98	97.6 Å²	97.6	43%	0.426	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.2	175.4	-69.4	169.2	176.8	164.9	0	110.3	A268 F269 E271	A268-K282 CarbonylContact C-O 3.59Å; A268-K282 VanDerWaalsContact CA-O 3.31Å; A268-K282 WeakPolarHBondContact CA-O 3.38Å; F269-K282 HydrophobicContact CB-CB 4.47Å; F269-K282 HydrophobicContact CD2-CB 4.41Å; F269-K282 PolarHBondContact N-O 3.49Å; F269-K282 PolarHBondContact O-N 3.05Å; E271-K282 IonicContact OE2-NZ 2.69Å; E271-K282 PolarHBondContact OE2-NZ 3.44Å
283	L	39.6	Very low	39.6	Very low	142 Å²	142	103.6 Å²	103.6	74%	0.743	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.6	147.7	176.8	-60.6	175.8	0	0	0	110.6	R267 A268	R267-L283 CarbonylContact O-C 3.51Å; R267-L283 VanDerWaalsContact O-CA 3.29Å; R267-L283 WeakPolarHBondContact O-CA 3.48Å; A268-L283 HydrophobicContact CB-CD2 3.64Å
284	S	46.5	Very low	38.4	Very low	45 Å²	45	106.1 Å²	106.1	32%	0.315	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-151.5	153.7	169.1	82.1	0	0	0	0	112.8	R267 F269	R267-S284 PolarHBondContact N-O 2.88Å; R267-S284 PolarHBondContact O-N 2.92Å; F269-S284 WeakPolarHBondContact CE2-OG 3.32Å
285	D	38.4	Very low	37.9	Very low	118 Å²	118	113.8 Å²	113.8	63%	0.631	61%	0.605	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.7	137.3	-179.9	-63.1	-38	0	0	0	111.4	F266	F266-D285 WeakPolarHBondContact CD1-OD1 3.32Å
286	G	38.8	Very low	37.6	Very low	35 Å²	35	116.3 Å²	116.3	36%	0.361	61%	0.609	S	S	.	*			trans	65.7	-178	178.8	0	0	0	0	0	116.1
287	D	32.5	Very low	37.3	Very low	140 Å²	140	114.1 Å²	114.1	75%	0.749	59%	0.594	S	S	*	*			cis	-165.3	117.6	-45.5	-100.7	-18	0	0	0	107.8
288	E	35.9	Very low	36.9	Very low	169 Å²	169	115.2 Å²	115.2	79%	0.79	59%	0.592	S	S	*	*			trans	-179.9	148.3	166.2	-109.9	165.4	-160.7	0	0	115.7
289	F	34.7	Very low	36.5	Very low	180 Å²	180	118.1 Å²	118.1	79%	0.789	60%	0.601	S	S	*	*			trans	65	165.5	160	-59.1	-58	0	0	0	124.5
290	E	32.4	Very low	36	Very low	165 Å²	165	117.7 Å²	117.7	77%	0.771	60%	0.604	S	S	*	*			trans	-145.5	157.4	-142.1	-78	-172.7	120.7	0	0	116.3
291	L	28.7	Very low	35.4	Very low	147 Å²	147	116.1 Å²	116.1	77%	0.77	60%	0.6	S	S	*	*			trans	51.8	169	142.4	-61.8	169.7	0	0	0	122
292	S	29.5	Very low	35.1	Very low	74 Å²	74	115.6 Å²	115.6	52%	0.517	60%	0.601	S	S	.	*			cis	-168.2	163.3	-42.3	57.5	0	0	0	0	112.1
293	E	30.1	Very low	34.2	Very low	170 Å²	170	113.9 Å²	113.9	79%	0.794	60%	0.596	S	S	*	*			trans	66.2	160.6	149	-74.5	155.5	-165.3	0	0	122.1
294	D	30.7	Very low	33.9	Very low	144 Å²	144	109.5 Å²	109.5	77%	0.77	58%	0.577	S	S	*	*			cis	-171.4	179.1	-40.6	-120.1	-15.9	0	0	0	114
295	E	32.5	Very low	33.3	Very low	163 Å²	163	110.3 Å²	110.3	76%	0.762	58%	0.576	S	S	*	*			trans	64.8	170.1	166.1	-67.1	-69.8	24.2	0	0	118.1
296	Q	32.5	Very low	33.4	Very low	144 Å²	144	109.1 Å²	109.1	67%	0.673	58%	0.577	S	S	*	*			cis	-159.2	168.4	-6	-125.1	-176.7	-39	0	0	107
297	E	32.7	Very low	33	Very low	108 Å²	108	113 Å²	113	51%	0.505	60%	0.597	S	S	.	*			cis	-144.6	-107.9	-12.2	-162.3	160.8	-102.1	0	0	112.9	P622	E297-P622 HydrophobicContact CG-CB 3.75Å; E297-P622 HydrophobicContact CG-CG 4.48Å; E297-P622 WeakPolarHBondContact OE1-CB 3.34Å
298	D	34.3	Very low	33	Very low	57 Å²	57	116.3 Å²	116.3	31%	0.305	60%	0.6	S	S	.	*			trans	-130.6	-154.4	-166.8	-121.4	-79.6	0	0	0	116	K623	D298-K623 WeakPolarHBondContact OD1-CE 3.14Å; D298-K623 IonicContact OD1-NZ 3.82Å; D298-K623 PolarHBondContact OD1-NZ 3.04Å; D298-K623 WeakPolarHBondContact OD2-CD 3.43Å; D298-K623 WeakPolarHBondContact OD2-CE 3.43Å; D298-K623 WeakPolarHBondContact OD2-CG 3.17Å; D298-K623 PolarHBondContact OD2-N 3.29Å; D298-K623 VanDerWaalsContact OD2-N 3.13Å; D298-K623 IonicContact OD2-NZ 3.84Å; D298-K623 PolarHBondContact OD2-NZ 3.4Å
299	D	33.6	Very low	33.1	Very low	86 Å²	86	112.9 Å²	112.9	46%	0.46	60%	0.595	S	S	.	*			cis	-154.7	-158.6	28	-151	33.7	0	0	0	110.7	T620 G621	D299-T620 WeakPolarHBondContact OD1-CA 3.42Å; D299-T620 WeakPolarHBondContact OD2-CA 3.45Å; D299-G621 PolarHBondContact OD1-N 2.63Å
300	D	34.1	Very low	33.2	Very low	105 Å²	105	110.7 Å²	110.7	56%	0.561	59%	0.588	S	S	*	*			cis	-155.7	-160.1	6.5	-178.1	20.6	0	0	0	110.5	H597	D300-H597 PolarHBondContact O-CE1 3.47Å
301	T	34.3	Very low	33.2	Very low	45 Å²	45	111.2 Å²	111.2	28%	0.276	59%	0.594	S	S	.	*			trans	-139.8	124.7	-131.3	-48.8	0	0	0	0	120.1	G619 T620	T301-G619 VanDerWaalsContact OG1-C 3.24Å; T301-G619 WeakPolarHBondContact OG1-CA 3.41Å; T301-T620 PolarHBondContact OG1-N 2.87Å
302	S	34.9	Very low	33.6	Very low	93 Å²	93	109.1 Å²	109.1	65%	0.65	58%	0.584	S	S	*	*			trans	77.1	168.3	141.9	86.5	0	0	0	0	124.3
303	L	31.2	Very low	34	Very low	62 Å²	62	110.5 Å²	110.5	33%	0.325	59%	0.593	S	S	.	*			cis	-172.9	153	-31.9	-107.1	175.5	0	0	0	115.2	S596 A650 H653	L303-S596 WeakPolarHBondContact CD1-OG 3.22Å; L303-S596 VanDerWaalsContact CD2-OG 3.3Å; L303-S596 WeakPolarHBondContact CD2-OG 3.45Å; L303-S596 WeakPolarHBondContact CG-OG 3.41Å; L303-A650 HydrophobicContact CD2-CB 4.38Å; L303-H653 HydrophobicContact CD2-CB 4.3Å
304	S	34.2	Very low	34.4	Very low	49 Å²	49	111.3 Å²	111.3	34%	0.343	60%	0.597	S	S	.	*				64.2	152.9	127.8	93.2	0	0	0	0	125.3	F657	S304-F657 VanDerWaalsContact O-CE2 3.24Å; S304-F657 WeakPolarHBondContact O-CE2 3.31Å; S304-F657 WeakPolarHBondContact O-CZ 3.34Å
305	Q	34	Very low	34.7	Very low	63 Å²	63	109.4 Å²	109.4	29%	0.294	59%	0.594	S	S	.	*			cis	-172.1	177.9	-12.6	-141.9	175.5	-70.6	0	0	109.8	E649 H653	Q305-E649 WeakPolarHBondContact CG-O 3.44Å; Q305-E649 PolarHBondContact NE2-OE2 2.75Å; Q305-E649 VanDerWaalsContact OE1-C 3.27Å; Q305-E649 PolarHBondContact OE1-O 3.41Å; Q305-H653 WeakPolarHBondContact CA-CE1 3.47Å; Q305-H653 WeakPolarHBondContact CA-ND1 3.48Å; Q305-H653 HydrophobicContact CB-CB 3.59Å; Q305-H653 WeakPolarHBondContact CB-CD2 3.12Å; Q305-H653 WeakPolarHBondContact CB-CE1 3.03Å; Q305-H653 WeakPolarHBondContact CB-ND1 3.36Å; Q305-H653 WeakPolarHBondContact CB-NE2 3.11Å; Q305-H653 VanDerWaalsContact CD-CE1 3.42Å; Q305-H653 VanDerWaalsContact CD-CG 3.41Å; Q305-H653 HydrophobicContact CG-CB 3.26Å; Q305-H653 WeakPolarHBondContact CG-CD2 3.46Å; Q305-H653 WeakPolarHBondContact CG-CE1 3.44Å; Q305-H653 WeakPolarHBondContact CG-ND1 3.09Å; Q305-H653 WeakPolarHBondContact CG-NE2 3.14Å; Q305-H653 PolarHBondContact NE2-NE2 2.94Å; Q305-H653 PolarHBondContact OE1-CD2 2.88Å; Q305-H653 PolarHBondContact OE1-NE2 2.93Å
306	S	38.7	Very low	34.9	Very low	92 Å²	92	106.4 Å²	106.4	64%	0.643	58%	0.584	S	S	*	*			trans	66.9	157	148.5	31	0	0	0	0	120.5	H653	S306-H653 VanDerWaalsContact CA-CE1 3.46Å; S306-H653 WeakPolarHBondContact CA-CE1 3.32Å; S306-H653 WeakPolarHBondContact CB-CE1 3.26Å; S306-H653 PolarHBondContact N-CE1 3.23Å; S306-H653 PolarHBondContact N-ND1 2.73Å; S306-H653 PolarHBondContact OG-CE1 3.49Å; S306-H653 VanDerWaalsContact OG-CE1 3.24Å; S306-H653 PolarHBondContact OG-NE2 3.43Å
307	C	30.5	Very low	35.3	Very low	117 Å²	117	106.2 Å²	106.2	79%	0.791	59%	0.586	S	S	*	*			cis	-153.9	-172.7	36.6	-153.2	0	0	0	0	116.6
308	Y	33.4	Very low	35.5	Very low	209 Å²	209	106.4 Å²	106.4	82%	0.82	60%	0.595	S	S	*	*			trans	-85.9	-170.6	-177.9	-65.1	-98.8	0	0	0	113.4
309	S	37.9	Very low	35.8	Very low	98 Å²	98	105.6 Å²	105.6	69%	0.685	60%	0.6	S	S	*	*			cis	-134.1	-115	-2	-2.4	0	0	0	0	112.7
310	E	36.4	Very low	36.2	Very low	134 Å²	134	105.4 Å²	105.4	63%	0.626	60%	0.603	S	S	*	*			cis	-155.2	154.9	-5.3	-71.9	177.9	-152.3	0	0	109.1
311	I	32.4	Very low	36.5	Very low	176 Å²	176	104.7 Å²	104.7	90%	0.903	61%	0.606	S	S	*	*			trans	-143.6	144	171.9	-61.5	-176.7	0	0	0	110.1
312	D	38	Very low	36.8	Very low	103 Å²	103	108.3 Å²	108.3	55%	0.551	63%	0.631	S	S	*	*			trans	-133.5	162.6	-171.8	-171.9	25.6	0	0	0	112.3
313	S	38.4	Very low	37.6	Very low	102 Å²	102	109 Å²	109	71%	0.713	62%	0.622	S	S	*	*			trans	-167.2	156.6	-179.3	-77.7	0	0	0	0	119.5
314	E	37.1	Very low	39.1	Very low	188 Å²	188	109.9 Å²	109.9	88%	0.879	63%	0.63	S	S	*	*			trans	84.1	160	159.6	-49.1	-142.3	132.9	0	0	121.9
315	S	37.7	Very low	41	Very low	103 Å²	103	112.7 Å²	112.7	72%	0.72	64%	0.641	S	S	*	*			trans	-162.9	149.3	-151.6	58.3	0	0	0	0	119.1
316	D	35.9	Very low	43.2	Very low	101 Å²	101	113.9 Å²	113.9	54%	0.54	65%	0.649	S	S	.	*			trans	62.5	149.2	151	-69.4	-45.8	0	0	0	122.5	K486	D316-K486 WeakPolarHBondContact OD1-CA 3.45Å; D316-K486 WeakPolarHBondContact OD1-CB 3.28Å; D316-K486 WeakPolarHBondContact OD1-CG 3.16Å
317	I	40.9	Very low	45.3	Very low	140 Å²	140	113.6 Å²	113.6	72%	0.718	64%	0.64	S	S	*	*				-164.9	161.5	92.1	-99.4	169.9	0	0	0	114.9	K486	I317-K486 WeakPolarHBondContact O-CE 3.38Å; I317-K486 PolarHBondContact O-NZ 3.42Å
318	T	37.7	Very low	48	Very low	112 Å²	112	109.5 Å²	109.5	69%	0.687	61%	0.609	S	S	*	*			trans	-44.2	-148.1	-160.3	79.9	0	0	0	0	121.4	K486	T318-K486 WeakPolarHBondContact O-CE 3.4Å
319	G	39.6	Very low	50.9	Low	40 Å²	40	100.9 Å²	100.9	41%	0.412	58%	0.575	S	S	.	*			cis	-158.3	-177.4	1.8	0	0	0	0	0	115.1	K332	G319-K332 VanDerWaalsContact O-CE 3.25Å; G319-K332 WeakPolarHBondContact O-CE 3.36Å; G319-K332 PolarHBondContact O-NZ 3.48Å
320	P	43.2	Very low	53.5	Low	81 Å²	81	99.1 Å²	99.1	53%	0.526	55%	0.554	S	S	.	*			trans	-140.1	-170.9	-150.9	44.5	-26.9	0	0	0	118.9	K328	P320-K328 HydrophobicContact CB-CB 4.08Å; P320-K328 HydrophobicContact CB-CD 3.76Å; P320-K328 HydrophobicContact CB-CG 4.32Å; P320-K328 HydrophobicContact CG-CD 3.69Å
321	S	39.7	Very low	56.2	Low	90 Å²	90	95.1 Å²	95.1	63%	0.629	54%	0.535	S	S	*	.			trans	-127	163.6	174.3	89.4	0	0	0	0	113.5	K323 K328	S321-K323 PolarHBondContact O-N 3.18Å; S321-K328 WeakPolarHBondContact O-CD 3.22Å; S321-K328 WeakPolarHBondContact O-CE 3.47Å; S321-K328 WeakPolarHBondContact O-CG 3.38Å
322	P	41.7	Very low	59.1	Low	122 Å²	122	89.5 Å²	89.5	79%	0.792	50%	0.504	S	S	*	.	S	Bend	trans	-78.4	78	-154.5	32.1	-37.8	0	0	0	117.7
323	K	51.7	Low	61.8	Low	107 Å²	107	84.6 Å²	84.6	47%	0.465	48%	0.478	S	S	.	.	S	Bend	trans	-85.1	-169	145.3	-48.1	-169.4	177	-164.1	0	109.8	S321 D327 K328	S321-K323 PolarHBondContact O-N 3.18Å; K323-D327 HydrophobicContact CB-CB 3.58Å; K323-D327 HydrophobicContact CD-CB 3.92Å; K323-D327 HydrophobicContact CG-CB 4.41Å; K323-K328 HydrophobicContact CB-CG 3.84Å; K323-K328 HydrophobicContact CG-CG 4.39Å; K323-K328 WeakPolarHBondContact O-CE 3.39Å
324	T	62.5	Low	64.6	Low	81 Å²	81	82.3 Å²	82.3	50%	0.497	45%	0.454	S	S	.	.			trans	-62.3	147.1	157.8	76.7	0	0	0	0	108.4	L326 D327 K328	T324-L326 PolarHBondContact O-N 3.02Å; T324-L326 VanDerWaalsContact O-N 3.12Å; T324-D327 WeakPolarHBondContact CB-OD2 3.49Å; T324-D327 WeakPolarHBondContact CG2-OD2 3.2Å; T324-D327 WeakPolarHBondContact O-CA 3.33Å; T324-D327 WeakPolarHBondContact O-CB 3.46Å; T324-D327 PolarHBondContact O-N 3.47Å; T324-D327 WeakPolarHBondContact OG1-CB 3.46Å; T324-D327 PolarHBondContact OG1-N 3.39Å; T324-D327 VanDerWaalsContact OG1-N 3.12Å; T324-D327 PolarHBondContact OG1-OD2 3.2Å; T324-K328 WeakPolarHBondContact O-CG 3.46Å; T324-K328 PolarHBondContact O-N 3.3Å
325	D	72.9	Confident	67.3	Low	107 Å²	107	80 Å²	80	57%	0.572	44%	0.438	S	S	*	.	H	α-helix	trans	-59.7	-28.3	-176.1	-79.5	-75	0	0	0	113.4	K328 R329	D325-K328 WeakPolarHBondContact OD1-CD 3.16Å; D325-K328 WeakPolarHBondContact OD1-CE 3.42Å; D325-K328 IonicContact OD1-NZ 2.67Å; D325-K328 PolarHBondContact OD1-NZ 3.29Å; D325-K328 IonicContact OD2-NZ 2.98Å; D325-K328 PolarHBondContact OD2-NZ 2.99Å; D325-R329 WeakPolarHBondContact O-CB 3.34Å; D325-R329 PolarHBondContact O-N 2.96Å; D325-R329 VanDerWaalsContact O-N 3.08Å
326	L	81.8	Confident	69.9	Low	88 Å²	88	75.7 Å²	75.7	46%	0.461	41%	0.408	S	S	.	.	H	α-helix	trans	-66	-47.2	168.7	-66.5	172.9	0	0	0	112.3	T324 K328 R329 Y330	T324-L326 PolarHBondContact O-N 3.02Å; T324-L326 VanDerWaalsContact O-N 3.12Å; L326-K328 VanDerWaalsContact C-N 3.35Å; L326-K328 PolarHBondContact O-N 3.45Å; L326-R329 PolarHBondContact O-N 2.99Å; L326-Y330 VanDerWaalsContact O-CD2 3.32Å; L326-Y330 WeakPolarHBondContact O-CD2 3.47Å; L326-Y330 PolarHBondContact O-N 3.46Å
327	D	82.8	Confident	72.8	Confident	86 Å²	86	70.9 Å²	70.9	46%	0.46	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-37.7	176.9	-67.9	-49.2	0	0	0	112.5	K323 T324 R329 Q331	K323-D327 HydrophobicContact CB-CB 3.58Å; K323-D327 HydrophobicContact CD-CB 3.92Å; K323-D327 HydrophobicContact CG-CB 4.41Å; T324-D327 WeakPolarHBondContact CB-OD2 3.49Å; T324-D327 WeakPolarHBondContact CG2-OD2 3.2Å; T324-D327 WeakPolarHBondContact O-CA 3.33Å; T324-D327 WeakPolarHBondContact O-CB 3.46Å; T324-D327 PolarHBondContact O-N 3.47Å; T324-D327 WeakPolarHBondContact OG1-CB 3.46Å; T324-D327 PolarHBondContact OG1-N 3.39Å; T324-D327 VanDerWaalsContact OG1-N 3.12Å; T324-D327 PolarHBondContact OG1-OD2 3.2Å; D327-R329 VanDerWaalsContact C-N 3.3Å; D327-Q331 WeakPolarHBondContact O-CB 3.11Å; D327-Q331 PolarHBondContact O-N 3.35Å
328	K	87.2	Confident	75.5	Confident	32 Å²	32	67.5 Å²	67.5	14%	0.139	36%	0.363	C	S	.	.	H	α-helix	trans	-58.8	-48	173.1	-61.2	175.4	-149.3	176	0	110.2	P320 S321 K323 T324 D325 L326 Q331 K332	P320-K328 HydrophobicContact CB-CB 4.08Å; P320-K328 HydrophobicContact CB-CD 3.76Å; P320-K328 HydrophobicContact CB-CG 4.32Å; P320-K328 HydrophobicContact CG-CD 3.69Å; S321-K328 WeakPolarHBondContact O-CD 3.22Å; S321-K328 WeakPolarHBondContact O-CE 3.47Å; S321-K328 WeakPolarHBondContact O-CG 3.38Å; K323-K328 HydrophobicContact CB-CG 3.84Å; K323-K328 HydrophobicContact CG-CG 4.39Å; K323-K328 WeakPolarHBondContact O-CE 3.39Å; T324-K328 WeakPolarHBondContact O-CG 3.46Å; T324-K328 PolarHBondContact O-N 3.3Å; D325-K328 WeakPolarHBondContact OD1-CD 3.16Å; D325-K328 WeakPolarHBondContact OD1-CE 3.42Å; D325-K328 IonicContact OD1-NZ 2.67Å; D325-K328 PolarHBondContact OD1-NZ 3.29Å; D325-K328 IonicContact OD2-NZ 2.98Å; D325-K328 PolarHBondContact OD2-NZ 2.99Å; L326-K328 VanDerWaalsContact C-N 3.35Å; L326-K328 PolarHBondContact O-N 3.45Å; K328-Q331 PolarHBondContact O-N 3.22Å; K328-K332 WeakPolarHBondContact O-CG 3.35Å; K328-K332 PolarHBondContact O-N 3.42Å
329	R	93.1	Very high	78.3	Confident	28 Å²	28	65.2 Å²	65.2	11%	0.106	34%	0.344	C	S	.	.	H	α-helix	trans	-67.6	-52.6	-173.6	-176.9	176.1	73	68.9	-16.8	110.4	D325 L326 D327 Q331 K332 A333 H487 Q489 D492	D325-R329 WeakPolarHBondContact O-CB 3.34Å; D325-R329 PolarHBondContact O-N 2.96Å; D325-R329 VanDerWaalsContact O-N 3.08Å; L326-R329 PolarHBondContact O-N 2.99Å; D327-R329 VanDerWaalsContact C-N 3.3Å; R329-Q331 VanDerWaalsContact C-N 3.31Å; R329-Q331 PolarHBondContact O-N 3.19Å; R329-K332 PolarHBondContact O-N 3.02Å; R329-K332 VanDerWaalsContact O-N 3.16Å; R329-A333 PolarHBondContact O-N 3.43Å; R329-H487 HydrophobicContact CG-CB 4.18Å; R329-H487 WeakPolarHBondContact CG-O 3.38Å; R329-H487 PolarHBondContact NH1-O 3.09Å; R329-Q489 VanDerWaalsContact CZ-OE1 3.31Å; R329-Q489 VanDerWaalsContact NE-OE1 3.11Å; R329-D492 IonicContact CZ-OD1 2.62Å; R329-D492 IonicContact CZ-OD2 2.61Å; R329-D492 IonicContact NH1-OD1 3.25Å; R329-D492 IonicContact NH1-OD2 3.73Å; R329-D492 PolarHBondContact NH1-OD2 2.8Å; R329-D492 IonicContact NH2-OD1 3.48Å; R329-D492 PolarHBondContact NH2-OD1 2.77Å; R329-D492 IonicContact NH2-OD2 2.77Å; R329-D492 PolarHBondContact NH2-OD2 2.86Å
330	Y	93.2	Very high	80.9	Confident	60 Å²	60	63.6 Å²	63.6	24%	0.235	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-32.9	173.2	-69.3	-52.8	0	0	0	113.3	L326 K332 A333 W334 W402 K406 D492	L326-Y330 VanDerWaalsContact O-CD2 3.32Å; L326-Y330 WeakPolarHBondContact O-CD2 3.47Å; L326-Y330 PolarHBondContact O-N 3.46Å; Y330-K332 VanDerWaalsContact C-N 3.33Å; Y330-K332 PolarHBondContact O-N 3.4Å; Y330-A333 PolarHBondContact O-N 2.8Å; Y330-W334 WeakPolarHBondContact O-CB 3.17Å; Y330-W334 PolarHBondContact O-N 3.2Å; Y330-W402 HydrophobicContact CD1-CH2 4.28Å; Y330-W402 VanDerWaalsContact O-CH2 3.28Å; Y330-W402 WeakPolarHBondContact O-CH2 2.26Å; Y330-K406 HydrophobicContact CD1-CD 4.23Å; Y330-K406 HydrophobicContact CE1-CD 4.48Å; Y330-K406 HydrophobicContact CE1-CG 4.36Å; Y330-D492 WeakPolarHBondContact CE1-OD1 3.36Å; Y330-D492 PolarHBondContact OH-OD1 2.94Å
331	Q	93	Very high	83.5	Confident	51 Å²	51	60 Å²	60	24%	0.238	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-40.2	174	-179.5	67.6	81.6	0	0	112	D327 K328 R329 Y335	D327-Q331 WeakPolarHBondContact O-CB 3.11Å; D327-Q331 PolarHBondContact O-N 3.35Å; K328-Q331 PolarHBondContact O-N 3.22Å; R329-Q331 VanDerWaalsContact C-N 3.31Å; R329-Q331 PolarHBondContact O-N 3.19Å; Q331-Y335 HydrophobicContact CG-CD2 4.11Å; Q331-Y335 HydrophobicContact CG-CE2 3.6Å; Q331-Y335 WeakPolarHBondContact O-CD2 3.27Å; Q331-Y335 PolarHBondContact O-N 2.84Å; Q331-Y335 VanDerWaalsContact O-N 3.14Å
332	K	93.6	Very high	86.2	Confident	57 Å²	57	58.3 Å²	58.3	25%	0.248	29%	0.286	C	S	.	.	H	α-helix	trans	-72.2	-42.2	176.1	-75	175.3	155.1	-118.2	0	112.3	G319 K328 R329 Y330 W334 Y335 A336 H487	G319-K332 VanDerWaalsContact O-CE 3.25Å; G319-K332 WeakPolarHBondContact O-CE 3.36Å; G319-K332 PolarHBondContact O-NZ 3.48Å; K328-K332 WeakPolarHBondContact O-CG 3.35Å; K328-K332 PolarHBondContact O-N 3.42Å; R329-K332 PolarHBondContact O-N 3.02Å; R329-K332 VanDerWaalsContact O-N 3.16Å; Y330-K332 VanDerWaalsContact C-N 3.33Å; Y330-K332 PolarHBondContact O-N 3.4Å; K332-W334 VanDerWaalsContact C-N 3.26Å; K332-W334 PolarHBondContact O-N 3.02Å; K332-Y335 PolarHBondContact O-N 3.1Å; K332-Y335 VanDerWaalsContact O-N 3.13Å; K332-A336 PolarHBondContact O-N 3.36Å; K332-H487 HydrophobicContact CB-CB 4.09Å; K332-H487 VanDerWaalsContact CB-CG 3.43Å
333	A	95	Very high	88.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56	-42.6	171.4	0	0	0	0	0	111.1	R329 Y330 A336 A337 W402 Y484 H487 L488	R329-A333 PolarHBondContact O-N 3.43Å; Y330-A333 PolarHBondContact O-N 2.8Å; A333-A336 PolarHBondContact O-N 3.1Å; A333-A337 WeakPolarHBondContact O-CB 3.09Å; A333-A337 PolarHBondContact O-N 3.28Å; A333-W402 HydrophobicContact CB-CH2 4.06Å; A333-W402 HydrophobicContact CB-CZ2 3.86Å; A333-Y484 HydrophobicContact CB-CD2 4.11Å; A333-Y484 HydrophobicContact CB-CE2 3.85Å; A333-Y484 VanDerWaalsContact O-CD2 3.25Å; A333-Y484 WeakPolarHBondContact O-CD2 3.29Å; A333-Y484 WeakPolarHBondContact O-CE2 3.49Å; A333-H487 HydrophobicContact CB-CB 3.96Å; A333-L488 HydrophobicContact CB-CD2 4.39Å
334	W	96.5	Very high	90.8	Very high	55 Å²	55	47.8 Å²	47.8	21%	0.208	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-44.2	174.1	-177.4	75.6	0	0	0	113.1	Y330 K332 A336 A337 K338 W402 H403	Y330-W334 WeakPolarHBondContact O-CB 3.17Å; Y330-W334 PolarHBondContact O-N 3.2Å; K332-W334 VanDerWaalsContact C-N 3.26Å; K332-W334 PolarHBondContact O-N 3.02Å; W334-A336 PolarHBondContact O-N 2.98Å; W334-A337 PolarHBondContact O-N 3.1Å; W334-K338 HydrophobicContact CH2-CD 3.94Å; W334-K338 HydrophobicContact CZ2-CD 4.15Å; W334-K338 HydrophobicContact CZ3-CD 4.32Å; W334-K338 VanDerWaalsContact O-CB 3.28Å; W334-K338 WeakPolarHBondContact O-CB 3.14Å; W334-K338 PolarHBondContact O-N 3.3Å; W334-W402 HydrophobicContact CB-CE3 4.06Å; W334-W402 HydrophobicContact CB-CH2 3.98Å; W334-W402 HydrophobicContact CB-CZ3 3.65Å; W334-W402 AromaticContact CD1-CE3 3.54Å; W334-W402 HydrophobicContact CG-CE3 4.2Å; W334-W402 HydrophobicContact CG-CZ3 4.22Å; W334-H403 AromaticContact CD1-CE1 3.63Å; W334-H403 AromaticContact CD1-NE2 3.72Å; W334-H403 AromaticContact CE2-CE1 3.73Å; W334-H403 AromaticContact CE2-NE2 3.58Å; W334-H403 AromaticContact CZ2-NE2 3.97Å; W334-H403 AromaticContact NE1-CD2 3.97Å; W334-H403 AromaticContact NE1-CE1 3.33Å; W334-H403 PolarHBondContact NE1-CE1 3.23Å; W334-H403 VanDerWaalsContact NE1-CE1 3.33Å; W334-H403 AromaticContact NE1-NE2 3.03Å; W334-H403 PolarHBondContact NE1-NE2 3.09Å
335	Y	94.6	Very high	92.4	Very high	140 Å²	140	47.4 Å²	47.4	55%	0.549	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-40.5	176.8	-73.8	-58.5	0	0	0	112.3	Q331 K332 K338 E339	Q331-Y335 HydrophobicContact CG-CD2 4.11Å; Q331-Y335 HydrophobicContact CG-CE2 3.6Å; Q331-Y335 WeakPolarHBondContact O-CD2 3.27Å; Q331-Y335 PolarHBondContact O-N 2.84Å; Q331-Y335 VanDerWaalsContact O-N 3.14Å; K332-Y335 PolarHBondContact O-N 3.1Å; K332-Y335 VanDerWaalsContact O-N 3.13Å; Y335-K338 PolarHBondContact O-N 3.31Å; Y335-E339 PolarHBondContact O-N 2.89Å
336	A	92.4	Very high	93.4	Very high	11 Å²	11	47.6 Å²	47.6	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-67	-43.9	176	0	0	0	0	0	112.1	K332 A333 W334 K338 E339 L340 E483 Y484	K332-A336 PolarHBondContact O-N 3.36Å; A333-A336 PolarHBondContact O-N 3.1Å; W334-A336 PolarHBondContact O-N 2.98Å; A336-K338 VanDerWaalsContact C-N 3.32Å; A336-K338 PolarHBondContact O-N 3.34Å; A336-E339 PolarHBondContact O-N 3.07Å; A336-L340 PolarHBondContact O-N 3.25Å; A336-E483 HydrophobicContact CB-CG 4.43Å; A336-Y484 HydrophobicContact CB-CD2 4.25Å
337	A	96.6	Very high	94	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-39.8	173.3	0	0	0	0	0	111.9	A333 W334 L340 V341 I399 I408 Y484	A333-A337 WeakPolarHBondContact O-CB 3.09Å; A333-A337 PolarHBondContact O-N 3.28Å; W334-A337 PolarHBondContact O-N 3.1Å; A337-L340 WeakPolarHBondContact O-CB 3.42Å; A337-L340 PolarHBondContact O-N 2.89Å; A337-V341 WeakPolarHBondContact O-CG2 3.42Å; A337-V341 PolarHBondContact O-N 2.98Å; A337-I399 HydrophobicContact CB-CD1 3.8Å; A337-I408 HydrophobicContact CB-CB 4.39Å; A337-I408 HydrophobicContact CB-CG1 4.48Å; A337-I408 HydrophobicContact CB-CG2 3.94Å; A337-Y484 HydrophobicContact CB-CD2 4.11Å; A337-Y484 HydrophobicContact CB-CE2 3.87Å
338	K	96.5	Very high	94.7	Very high	70 Å²	70	39.9 Å²	39.9	30%	0.304	17%	0.173	S	C	.	.	H	α-helix	trans	-66.5	-47	177.2	-166.2	-169	-172.6	-52.9	0	111.7	W334 Y335 A336 L340 V341 D342	W334-K338 HydrophobicContact CH2-CD 3.94Å; W334-K338 HydrophobicContact CZ2-CD 4.15Å; W334-K338 HydrophobicContact CZ3-CD 4.32Å; W334-K338 VanDerWaalsContact O-CB 3.28Å; W334-K338 WeakPolarHBondContact O-CB 3.14Å; W334-K338 PolarHBondContact O-N 3.3Å; Y335-K338 PolarHBondContact O-N 3.31Å; A336-K338 VanDerWaalsContact C-N 3.32Å; A336-K338 PolarHBondContact O-N 3.34Å; K338-L340 VanDerWaalsContact C-N 3.28Å; K338-L340 PolarHBondContact O-N 3Å; K338-V341 PolarHBondContact O-N 2.79Å; K338-V341 VanDerWaalsContact O-N 3.14Å; K338-D342 IonicContact NZ-OD1 3.71Å; K338-D342 PolarHBondContact NZ-OD1 3.29Å; K338-D342 IonicContact NZ-OD2 3.98Å; K338-D342 PolarHBondContact NZ-OD2 2.92Å; K338-D342 WeakPolarHBondContact O-CB 3.46Å; K338-D342 PolarHBondContact O-N 3.22Å
339	E	96.1	Very high	95.1	Very high	64 Å²	64	41.5 Å²	41.5	30%	0.299	18%	0.183	S	C	.	.	H	α-helix	trans	-65.7	-30.3	177.4	173.8	55.2	-164.3	0	0	112.1	Y335 A336 V341 S343 R346 L480	Y335-E339 PolarHBondContact O-N 2.89Å; A336-E339 PolarHBondContact O-N 3.07Å; E339-V341 VanDerWaalsContact C-N 3.34Å; E339-V341 PolarHBondContact O-N 3.39Å; E339-S343 WeakPolarHBondContact O-CB 3.34Å; E339-S343 PolarHBondContact O-N 3.21Å; E339-S343 PolarHBondContact O-OG 3.37Å; E339-S343 WeakPolarHBondContact OE1-CB 3.28Å; E339-R346 IonicContact OE1-NH2 2.66Å; E339-R346 PolarHBondContact OE1-NH2 3.17Å; E339-R346 IonicContact OE2-CZ 2.69Å; E339-R346 IonicContact OE2-NH2 3.17Å; E339-R346 PolarHBondContact OE2-NH2 3.16Å; E339-L480 HydrophobicContact CG-CD2 4.09Å
340	L	94.4	Very high	95.2	Very high	6 Å²	6	41 Å²	41	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-56.5	-47	170	169.8	63.4	0	0	0	111.7	A336 A337 K338 S343 E344 L395 I408 V412 R473 Y477 L480	A336-L340 PolarHBondContact O-N 3.25Å; A337-L340 WeakPolarHBondContact O-CB 3.42Å; A337-L340 PolarHBondContact O-N 2.89Å; K338-L340 VanDerWaalsContact C-N 3.28Å; K338-L340 PolarHBondContact O-N 3Å; L340-S343 PolarHBondContact O-OG 2.92Å; L340-E344 WeakPolarHBondContact O-CB 3.46Å; L340-E344 PolarHBondContact O-N 3.1Å; L340-E344 VanDerWaalsContact O-N 3.12Å; L340-L395 HydrophobicContact CD2-CD2 4.27Å; L340-I408 HydrophobicContact CD2-CG1 4.12Å; L340-V412 HydrophobicContact CD2-CG2 3.85Å; L340-R473 PolarHBondContact O-NH2 3.2Å; L340-Y477 HydrophobicContact CD1-CD1 4.26Å; L340-L480 HydrophobicContact CD1-CB 4.16Å; L340-L480 HydrophobicContact CD1-CD1 3.86Å
341	V	97.8	Very high	95.3	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.024	17%	0.171	C	C	.	.	H	α-helix	trans	-79.2	-43.9	-178.8	-170.2	0	0	0	0	112.6	A337 K338 E339 S343 E344 Q345 L392 L395 L396 I399 I408	A337-V341 WeakPolarHBondContact O-CG2 3.42Å; A337-V341 PolarHBondContact O-N 2.98Å; K338-V341 PolarHBondContact O-N 2.79Å; K338-V341 VanDerWaalsContact O-N 3.14Å; E339-V341 VanDerWaalsContact C-N 3.34Å; E339-V341 PolarHBondContact O-N 3.39Å; V341-S343 VanDerWaalsContact C-N 3.25Å; V341-S343 PolarHBondContact O-N 3.22Å; V341-E344 WeakPolarHBondContact O-CB 3.47Å; V341-E344 PolarHBondContact O-N 3.45Å; V341-Q345 PolarHBondContact O-N 2.82Å; V341-L392 HydrophobicContact CG1-CD1 4.29Å; V341-L395 HydrophobicContact CG1-CB 4.13Å; V341-L395 HydrophobicContact CG2-CB 3.86Å; V341-L395 HydrophobicContact CG2-CD2 4.38Å; V341-L396 HydrophobicContact CG1-CD2 3.78Å; V341-L396 HydrophobicContact CG1-CG 4.16Å; V341-I399 HydrophobicContact CB-CG2 4.48Å; V341-I399 HydrophobicContact CG1-CG2 4.23Å; V341-I399 HydrophobicContact CG2-CB 4Å; V341-I399 HydrophobicContact CG2-CG1 4.31Å; V341-I399 HydrophobicContact CG2-CG2 4.24Å; V341-I408 HydrophobicContact CG2-CD1 4.2Å
342	D	95.9	Very high	95.5	Very high	55 Å²	55	39.8 Å²	39.8	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-57	-40.4	175.3	-75.2	5.6	0	0	0	111.1	K338 R346	K338-D342 IonicContact NZ-OD1 3.71Å; K338-D342 PolarHBondContact NZ-OD1 3.29Å; K338-D342 IonicContact NZ-OD2 3.98Å; K338-D342 PolarHBondContact NZ-OD2 2.92Å; K338-D342 WeakPolarHBondContact O-CB 3.46Å; K338-D342 PolarHBondContact O-N 3.22Å; D342-R346 WeakPolarHBondContact O-CG 3.32Å; D342-R346 PolarHBondContact O-N 3.2Å
343	S	93.1	Very high	95.6	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-79.8	-18.1	176.4	68.5	0	0	0	0	114.2	E339 L340 V341 Y347 R473	E339-S343 WeakPolarHBondContact O-CB 3.34Å; E339-S343 PolarHBondContact O-N 3.21Å; E339-S343 PolarHBondContact O-OG 3.37Å; E339-S343 WeakPolarHBondContact OE1-CB 3.28Å; L340-S343 PolarHBondContact O-OG 2.92Å; V341-S343 VanDerWaalsContact C-N 3.25Å; V341-S343 PolarHBondContact O-N 3.22Å; S343-Y347 WeakPolarHBondContact O-CB 3.42Å; S343-Y347 PolarHBondContact O-N 3.3Å; S343-R473 PolarHBondContact O-NH1 3.01Å; S343-R473 PolarHBondContact OG-NH1 3.01Å
344	E	97.3	Very high	95.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-73.4	-45.7	170.1	-174.8	69	-179.6	0	0	110.9	L340 V341 R346 Y347 V348 H387 F391 L392 L395 R473 Y477	L340-E344 WeakPolarHBondContact O-CB 3.46Å; L340-E344 PolarHBondContact O-N 3.1Å; L340-E344 VanDerWaalsContact O-N 3.12Å; V341-E344 WeakPolarHBondContact O-CB 3.47Å; V341-E344 PolarHBondContact O-N 3.45Å; E344-R346 PolarHBondContact O-N 2.78Å; E344-Y347 CarbonylContact O-C 3.6Å; E344-Y347 WeakPolarHBondContact O-CA 3.43Å; E344-Y347 WeakPolarHBondContact O-CB 3.27Å; E344-Y347 PolarHBondContact O-N 3.47Å; E344-V348 PolarHBondContact O-N 3.15Å; E344-H387 IonicContact OE1-CE1 3.56Å; E344-H387 IonicContact OE1-CG 3.69Å; E344-H387 IonicContact OE1-ND1 2.67Å; E344-H387 PolarHBondContact OE1-ND1 3.37Å; E344-F391 VanDerWaalsContact OE1-CD1 3.25Å; E344-F391 WeakPolarHBondContact OE1-CD1 3.29Å; E344-L392 HydrophobicContact CB-CD1 4.14Å; E344-L392 HydrophobicContact CG-CB 3.97Å; E344-L392 HydrophobicContact CG-CD1 3.88Å; E344-L392 HydrophobicContact CG-CG 4.46Å; E344-L395 HydrophobicContact CB-CD1 4.17Å; E344-L395 HydrophobicContact CG-CD1 3.91Å; E344-R473 VanDerWaalsContact CA-NH2 3.29Å; E344-R473 IonicContact OE2-CZ 3.07Å; E344-R473 IonicContact OE2-NE 3.58Å; E344-R473 PolarHBondContact OE2-NE 3Å; E344-R473 IonicContact OE2-NH2 2.89Å; E344-R473 PolarHBondContact OE2-NH2 3.18Å; E344-Y477 PolarHBondContact OE2-OH 2.88Å; E344-Y477 VanDerWaalsContact OE2-OH 3.09Å
345	Q	97.1	Very high	95.4	Very high	72 Å²	72	34.9 Å²	34.9	34%	0.336	16%	0.159	S	C	.	.	H	α-helix	trans	-54.1	-55	175.7	179.4	60.5	71.5	0	0	110.6	V341 Y347 V348 D349 L392	V341-Q345 PolarHBondContact O-N 2.82Å; Q345-Y347 PolarHBondContact O-N 2.83Å; Q345-Y347 VanDerWaalsContact O-N 3.13Å; Q345-V348 PolarHBondContact O-N 3.24Å; Q345-V348 VanDerWaalsContact O-N 3.11Å; Q345-D349 PolarHBondContact NE2-OD1 3.16Å; Q345-D349 PolarHBondContact NE2-OD2 3.32Å; Q345-D349 PolarHBondContact O-N 3.18Å; Q345-D349 VanDerWaalsContact O-N 3.08Å; Q345-L392 HydrophobicContact CB-CD1 4.27Å
346	R	93.4	Very high	95.4	Very high	112 Å²	112	31.1 Å²	31.1	42%	0.423	15%	0.148	S	C	.	.	H	α-helix	trans	-53.9	-34.8	176	-68.1	-174.7	-67.8	-102.7	7.7	112.9	E339 D342 E344 K350	E339-R346 IonicContact OE1-NH2 2.66Å; E339-R346 PolarHBondContact OE1-NH2 3.17Å; E339-R346 IonicContact OE2-CZ 2.69Å; E339-R346 IonicContact OE2-NH2 3.17Å; E339-R346 PolarHBondContact OE2-NH2 3.16Å; D342-R346 WeakPolarHBondContact O-CG 3.32Å; D342-R346 PolarHBondContact O-N 3.2Å; E344-R346 PolarHBondContact O-N 2.78Å; R346-K350 WeakPolarHBondContact O-CG 3.35Å; R346-K350 PolarHBondContact O-N 2.85Å
347	Y	95.5	Very high	95.5	Very high	10 Å²	10	32.2 Å²	32.2	4%	0.039	15%	0.154	C	C	.	.	H	α-helix	trans	-77.2	-38.8	179.4	173.7	-110.1	0	0	0	113.2	S343 E344 Q345 D349 K350 L351 H387 Y422 C469 P470 R473	S343-Y347 WeakPolarHBondContact O-CB 3.42Å; S343-Y347 PolarHBondContact O-N 3.3Å; E344-Y347 CarbonylContact O-C 3.6Å; E344-Y347 WeakPolarHBondContact O-CA 3.43Å; E344-Y347 WeakPolarHBondContact O-CB 3.27Å; E344-Y347 PolarHBondContact O-N 3.47Å; Q345-Y347 PolarHBondContact O-N 2.83Å; Q345-Y347 VanDerWaalsContact O-N 3.13Å; Y347-D349 VanDerWaalsContact C-N 3.25Å; Y347-D349 PolarHBondContact O-N 2.87Å; Y347-K350 PolarHBondContact O-N 2.91Å; Y347-K350 VanDerWaalsContact O-N 3.15Å; Y347-L351 HydrophobicContact CD1-CD1 3.93Å; Y347-L351 HydrophobicContact CD1-CG 4.41Å; Y347-L351 HydrophobicContact CE1-CD1 3.24Å; Y347-L351 HydrophobicContact CE1-CG 3.84Å; Y347-L351 HydrophobicContact CE2-CD1 4.31Å; Y347-L351 HydrophobicContact CE2-CD2 4.34Å; Y347-L351 HydrophobicContact CE2-CG 3.99Å; Y347-L351 VanDerWaalsContact CZ-CD1 3.47Å; Y347-L351 PolarHBondContact O-N 3.05Å; Y347-H387 AromaticContact CE1-CD2 3.93Å; Y347-H387 AromaticContact CE1-CG 4Å; Y347-Y422 WeakPolarHBondContact CE1-OH 3.44Å; Y347-Y422 VanDerWaalsContact CZ-OH 3.31Å; Y347-Y422 VanDerWaalsContact OH-CE1 3.24Å; Y347-Y422 WeakPolarHBondContact OH-CE1 3.46Å; Y347-Y422 PolarHBondContact OH-OH 3.21Å; Y347-C469 HydrophobicContact CE2-CB 4.41Å; Y347-P470 HydrophobicContact CE2-CG 4.48Å; Y347-R473 HydrophobicContact CD1-CB 4.32Å; Y347-R473 HydrophobicContact CD1-CG 3.59Å; Y347-R473 HydrophobicContact CD2-CB 3.77Å; Y347-R473 HydrophobicContact CD2-CG 3.87Å; Y347-R473 HydrophobicContact CE1-CB 4.09Å; Y347-R473 HydrophobicContact CE1-CG 3.62Å; Y347-R473 HydrophobicContact CE2-CB 3.52Å; Y347-R473 HydrophobicContact CE2-CG 3.91Å; Y347-R473 HydrophobicContact CG-CB 4.16Å; Y347-R473 HydrophobicContact CG-CG 3.71Å
348	V	97.2	Very high	95.4	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-39.6	172	166.9	0	0	0	0	110.9	E344 Q345 K350 L351 K352 Y384 H387 N388 L392	E344-V348 PolarHBondContact O-N 3.15Å; Q345-V348 PolarHBondContact O-N 3.24Å; Q345-V348 VanDerWaalsContact O-N 3.11Å; V348-K350 VanDerWaalsContact C-N 3.33Å; V348-K350 PolarHBondContact O-N 3.18Å; V348-L351 PolarHBondContact O-N 3.46Å; V348-K352 WeakPolarHBondContact O-CB 3.34Å; V348-K352 PolarHBondContact O-N 3.45Å; V348-Y384 HydrophobicContact CG1-CD2 4.42Å; V348-Y384 HydrophobicContact CG1-CE2 4.06Å; V348-H387 HydrophobicContact CG2-CB 3.72Å; V348-N388 HydrophobicContact CG1-CB 3.92Å; V348-L392 HydrophobicContact CB-CD2 3.92Å; V348-L392 HydrophobicContact CG1-CD2 4.08Å; V348-L392 HydrophobicContact CG2-CB 4.12Å; V348-L392 HydrophobicContact CG2-CD2 3.75Å
349	D	95.3	Very high	95.4	Very high	65 Å²	65	32.9 Å²	32.9	35%	0.348	15%	0.154	S	C	.	.	H	α-helix	trans	-64.7	-35.1	176.5	-62.4	-45.1	0	0	0	112.2	Q345 Y347 L353	Q345-D349 PolarHBondContact NE2-OD1 3.16Å; Q345-D349 PolarHBondContact NE2-OD2 3.32Å; Q345-D349 PolarHBondContact O-N 3.18Å; Q345-D349 VanDerWaalsContact O-N 3.08Å; Y347-D349 VanDerWaalsContact C-N 3.25Å; Y347-D349 PolarHBondContact O-N 2.87Å; D349-L353 PolarHBondContact O-N 2.78Å
350	K	93.9	Very high	95.3	Very high	18 Å²	18	33.1 Å²	33.1	8%	0.078	16%	0.158	C	C	.	.	H	α-helix	trans	-71.2	-38.8	171.4	-60.1	-33.3	-168.9	-165.3	0	113.1	R346 Y347 V348 K352 L353 L354 E457 E459	R346-K350 WeakPolarHBondContact O-CG 3.35Å; R346-K350 PolarHBondContact O-N 2.85Å; Y347-K350 PolarHBondContact O-N 2.91Å; Y347-K350 VanDerWaalsContact O-N 3.15Å; V348-K350 VanDerWaalsContact C-N 3.33Å; V348-K350 PolarHBondContact O-N 3.18Å; K350-K352 VanDerWaalsContact C-N 3.28Å; K350-K352 PolarHBondContact O-N 3.38Å; K350-L353 WeakPolarHBondContact O-CB 3.25Å; K350-L353 PolarHBondContact O-N 2.75Å; K350-L354 PolarHBondContact O-N 3.4Å; K350-L354 VanDerWaalsContact O-N 3.16Å; K350-E457 PolarHBondContact NZ-O 3.47Å; K350-E459 WeakPolarHBondContact CE-OE2 3.29Å; K350-E459 IonicContact NZ-OE1 2.67Å; K350-E459 PolarHBondContact NZ-OE1 3.31Å; K350-E459 IonicContact NZ-OE2 3.58Å; K350-E459 PolarHBondContact NZ-OE2 3.32Å
351	L	96.5	Very high	95.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-37.5	174.2	-80.3	178.7	0	0	0	111.6	Y347 V348 G355 V380 L383 Y384 H387 P470	Y347-L351 HydrophobicContact CD1-CD1 3.93Å; Y347-L351 HydrophobicContact CD1-CG 4.41Å; Y347-L351 HydrophobicContact CE1-CD1 3.24Å; Y347-L351 HydrophobicContact CE1-CG 3.84Å; Y347-L351 HydrophobicContact CE2-CD1 4.31Å; Y347-L351 HydrophobicContact CE2-CD2 4.34Å; Y347-L351 HydrophobicContact CE2-CG 3.99Å; Y347-L351 VanDerWaalsContact CZ-CD1 3.47Å; Y347-L351 PolarHBondContact O-N 3.05Å; V348-L351 PolarHBondContact O-N 3.46Å; L351-G355 WeakPolarHBondContact O-CA 3.33Å; L351-G355 PolarHBondContact O-N 2.77Å; L351-V380 HydrophobicContact CD2-CG1 3.9Å; L351-L383 HydrophobicContact CD1-CB 4.13Å; L351-L383 HydrophobicContact CD2-CB 3.82Å; L351-Y384 HydrophobicContact CB-CD2 3.96Å; L351-Y384 HydrophobicContact CB-CG 4.36Å; L351-H387 HydrophobicContact CD1-CB 3.88Å; L351-P470 HydrophobicContact CD2-CG 4.3Å
352	K	96.6	Very high	95.1	Very high	84 Å²	84	35.6 Å²	35.6	37%	0.365	17%	0.166	S	C	.	.	H	α-helix	trans	-63.8	-49	172.6	-172.1	179.9	177.3	-171.4	0	112	V348 K350 L354 D356 T357 Y384	V348-K352 WeakPolarHBondContact O-CB 3.34Å; V348-K352 PolarHBondContact O-N 3.45Å; K350-K352 VanDerWaalsContact C-N 3.28Å; K350-K352 PolarHBondContact O-N 3.38Å; K352-L354 VanDerWaalsContact C-N 3.25Å; K352-L354 PolarHBondContact O-N 3.03Å; K352-D356 HydrophobicContact CG-CB 4.34Å; K352-D356 WeakPolarHBondContact O-CA 3.44Å; K352-D356 WeakPolarHBondContact O-CB 3.46Å; K352-D356 PolarHBondContact O-N 3.44Å; K352-T357 PolarHBondContact O-N 3.09Å; K352-Y384 HydrophobicContact CB-CD2 4.03Å; K352-Y384 HydrophobicContact CB-CE2 3.52Å; K352-Y384 HydrophobicContact CD-CE2 4.47Å; K352-Y384 HydrophobicContact CG-CE1 4.38Å; K352-Y384 HydrophobicContact CG-CE2 4Å
353	L	95.8	Very high	95	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	17%	0.17	C	C	.	.	I	π-helix	trans	-52.9	-42.5	178.4	177.5	64.6	0	0	0	112.3	D349 K350 T357 F358 I452 E457 C458 L463	D349-L353 PolarHBondContact O-N 2.78Å; K350-L353 WeakPolarHBondContact O-CB 3.25Å; K350-L353 PolarHBondContact O-N 2.75Å; L353-T357 WeakPolarHBondContact O-CB 3.28Å; L353-F358 WeakPolarHBondContact O-CB 3.45Å; L353-F358 PolarHBondContact O-N 2.96Å; L353-I452 HydrophobicContact CD1-CG2 3.68Å; L353-E457 HydrophobicContact CD1-CB 4.3Å; L353-C458 HydrophobicContact CD2-CB 4.35Å; L353-L463 HydrophobicContact CD2-CD1 4.23Å; L353-L463 HydrophobicContact CG-CD1 4.18Å
354	L	95.6	Very high	95.1	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	20%	0.203	C	C	.	.	I	π-helix	trans	-85.5	-52.3	-179.8	-66.4	176.6	0	0	0	113.4	K350 K352 F358 R359 V380 L463 H466 L467	K350-L354 PolarHBondContact O-N 3.4Å; K350-L354 VanDerWaalsContact O-N 3.16Å; K352-L354 VanDerWaalsContact C-N 3.25Å; K352-L354 PolarHBondContact O-N 3.03Å; L354-F358 HydrophobicContact CD2-CD1 4.34Å; L354-R359 PolarHBondContact O-N 3.3Å; L354-V380 HydrophobicContact CB-CG1 3.79Å; L354-L463 HydrophobicContact CD2-CD1 3.99Å; L354-H466 HydrophobicContact CD1-CB 4.23Å; L354-H466 WeakPolarHBondContact CD1-O 3.48Å; L354-H466 HydrophobicContact CD2-CB 4.3Å; L354-H466 HydrophobicContact CG-CB 4.36Å; L354-L467 HydrophobicContact CD1-CD2 4.22Å; L354-L467 HydrophobicContact CD2-CD2 3.89Å
355	G	92.1	Very high	94.9	Very high	4 Å²	4	47.8 Å²	47.8	4%	0.041	22%	0.219	C	C	.	.	I	π-helix	trans	-81.6	-17.3	-168.9	0	0	0	0	0	115.5	L351 R359 S381	L351-G355 WeakPolarHBondContact O-CA 3.33Å; L351-G355 PolarHBondContact O-N 2.77Å; G355-R359 WeakPolarHBondContact O-CB 3.41Å; G355-R359 VanDerWaalsContact O-CD 3.29Å; G355-R359 WeakPolarHBondContact O-CD 3.34Å; G355-S381 PolarHBondContact O-OG 3Å
356	D	93.7	Very high	94.6	Very high	61 Å²	61	52.5 Å²	52.5	33%	0.326	24%	0.241	S	C	.	.	I	π-helix	trans	-120.6	-67.4	178.1	-168.4	43.3	0	0	0	110.2	K352 N360 Y384	K352-D356 HydrophobicContact CG-CB 4.34Å; K352-D356 WeakPolarHBondContact O-CA 3.44Å; K352-D356 WeakPolarHBondContact O-CB 3.46Å; K352-D356 PolarHBondContact O-N 3.44Å; D356-N360 WeakPolarHBondContact O-CB 3.33Å; D356-N360 PolarHBondContact O-N 3.42Å; D356-N360 PolarHBondContact O-ND2 3.15Å; D356-N360 VanDerWaalsContact O-ND2 3.16Å; D356-N360 PolarHBondContact OD1-ND2 3.32Å; D356-Y384 HydrophobicContact CB-CD1 4.4Å; D356-Y384 HydrophobicContact CB-CE1 4.15Å
357	T	94.8	Very high	94.5	Very high	35 Å²	35	48.5 Å²	48.5	22%	0.215	23%	0.228	C	C	.	.	I	π-helix	trans	-58.9	-58.7	-174.3	-54.3	0	0	0	0	112.8	K352 L353 R361	K352-T357 PolarHBondContact O-N 3.09Å; L353-T357 WeakPolarHBondContact O-CB 3.28Å; T357-R361 WeakPolarHBondContact O-CG 3.42Å; T357-R361 PolarHBondContact O-N 2.86Å
358	F	95.5	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-67.1	-45.1	-179.2	179.8	-145	0	0	0	112	L353 L354 N360 R361 L362 L376 L377 F436 F445 V449 I452 L463	L353-F358 WeakPolarHBondContact O-CB 3.45Å; L353-F358 PolarHBondContact O-N 2.96Å; L354-F358 HydrophobicContact CD2-CD1 4.34Å; F358-N360 VanDerWaalsContact C-N 3.34Å; F358-N360 PolarHBondContact O-N 3.11Å; F358-R361 PolarHBondContact O-N 2.84Å; F358-L362 HydrophobicContact CD1-CD1 4.27Å; F358-L362 HydrophobicContact CD2-CD1 3.99Å; F358-L362 HydrophobicContact CD2-CD2 4.39Å; F358-L362 HydrophobicContact CD2-CG 3.91Å; F358-L362 HydrophobicContact CE1-CD1 4.02Å; F358-L362 HydrophobicContact CE2-CD1 3.75Å; F358-L362 HydrophobicContact CE2-CD2 3.74Å; F358-L362 HydrophobicContact CE2-CG 3.71Å; F358-L362 HydrophobicContact CG-CD1 4.26Å; F358-L362 HydrophobicContact CZ-CD1 3.77Å; F358-L362 HydrophobicContact CZ-CD2 4.2Å; F358-L362 HydrophobicContact CZ-CG 4.22Å; F358-L362 WeakPolarHBondContact O-CG 3.17Å; F358-L362 PolarHBondContact O-N 2.88Å; F358-L376 HydrophobicContact CE1-CD2 4.03Å; F358-L376 HydrophobicContact CZ-CD2 4.11Å; F358-L377 HydrophobicContact CD1-CD2 4.08Å; F358-L377 HydrophobicContact CE1-CD2 4.32Å; F358-F436 HydrophobicContact CE1-CD2 4.43Å; F358-F436 HydrophobicContact CE1-CE2 4.15Å; F358-F436 HydrophobicContact CZ-CD2 4.36Å; F358-F436 AromaticContact CZ-CE2 3.94Å; F358-F436 HydrophobicContact CZ-CE2 3.94Å; F358-F445 HydrophobicContact CZ-CE2 4.16Å; F358-F445 AromaticContact CZ-CZ 3.87Å; F358-F445 HydrophobicContact CZ-CZ 3.87Å; F358-V449 HydrophobicContact CE2-CG2 4.24Å; F358-V449 HydrophobicContact CZ-CG2 4.39Å; F358-I452 HydrophobicContact CB-CD1 4.05Å; F358-I452 HydrophobicContact CD2-CD1 3.49Å; F358-I452 VanDerWaalsContact CD2-CD1 3.49Å; F358-I452 HydrophobicContact CE2-CD1 4.33Å; F358-I452 HydrophobicContact CG-CD1 4.15Å; F358-L463 HydrophobicContact CB-CD2 4.43Å; F358-L463 HydrophobicContact CD1-CD2 3.94Å; F358-L463 HydrophobicContact CD2-CD2 3.8Å; F358-L463 HydrophobicContact CE1-CD2 4.05Å; F358-L463 HydrophobicContact CE2-CD2 3.89Å; F358-L463 HydrophobicContact CG-CD2 3.82Å; F358-L463 HydrophobicContact CZ-CD2 4.01Å
359	R	95	Very high	94.1	Very high	84 Å²	84	52.9 Å²	52.9	32%	0.317	26%	0.255	S	S	.	.	H	α-helix	trans	-54.5	-47.1	176.7	-171.7	177.1	177.6	-83.8	3.2	112.4	L354 G355 L362 I363 I373 L377 S381	L354-R359 PolarHBondContact O-N 3.3Å; G355-R359 WeakPolarHBondContact O-CB 3.41Å; G355-R359 VanDerWaalsContact O-CD 3.29Å; G355-R359 WeakPolarHBondContact O-CD 3.34Å; R359-L362 PolarHBondContact O-N 2.96Å; R359-I363 HydrophobicContact CG-CD1 4.09Å; R359-I363 WeakPolarHBondContact O-CG1 3.47Å; R359-I363 PolarHBondContact O-N 3.04Å; R359-I363 VanDerWaalsContact O-N 3.07Å; R359-I373 HydrophobicContact CG-CG2 4.15Å; R359-L377 HydrophobicContact CB-CD1 3.68Å; R359-L377 HydrophobicContact CG-CD1 3.95Å; R359-S381 WeakPolarHBondContact CD-OG 3.03Å; R359-S381 PolarHBondContact NE-OG 3.26Å
360	N	94.1	Very high	93.9	Very high	68 Å²	68	55 Å²	55	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-72.1	-32.6	-176.9	-64.3	-17.6	0	0	0	111.9	D356 F358 K364	D356-N360 WeakPolarHBondContact O-CB 3.33Å; D356-N360 PolarHBondContact O-N 3.42Å; D356-N360 PolarHBondContact O-ND2 3.15Å; D356-N360 VanDerWaalsContact O-ND2 3.16Å; D356-N360 PolarHBondContact OD1-ND2 3.32Å; F358-N360 VanDerWaalsContact C-N 3.34Å; F358-N360 PolarHBondContact O-N 3.11Å; N360-K364 WeakPolarHBondContact O-CB 3.13Å; N360-K364 PolarHBondContact O-N 3.19Å
361	R	94.7	Very high	93.8	Very high	63 Å²	63	57.6 Å²	57.6	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-47.8	168.8	-70.2	-66.6	-56.9	-99.6	6.5	111.5	T357 F358 I363 K364 E365 V448 E451 I452	T357-R361 WeakPolarHBondContact O-CG 3.42Å; T357-R361 PolarHBondContact O-N 2.86Å; F358-R361 PolarHBondContact O-N 2.84Å; R361-I363 VanDerWaalsContact C-N 3.32Å; R361-I363 PolarHBondContact O-N 2.86Å; R361-K364 PolarHBondContact O-N 3.17Å; R361-E365 IonicContact CZ-OE1 2.72Å; R361-E365 IonicContact NE-OE1 3.44Å; R361-E365 PolarHBondContact NE-OE1 3.47Å; R361-E365 IonicContact NH2-OE1 3.8Å; R361-E365 PolarHBondContact NH2-OE1 2.85Å; R361-E365 IonicContact NH2-OE2 3.87Å; R361-E365 PolarHBondContact O-N 3.41Å; R361-E365 VanDerWaalsContact O-N 3.12Å; R361-V448 HydrophobicContact CB-CG1 3.93Å; R361-V448 HydrophobicContact CG-CG1 4.47Å; R361-E451 IonicContact CZ-OE2 2.67Å; R361-E451 IonicContact NH1-OE2 2.68Å; R361-E451 PolarHBondContact NH1-OE2 2.91Å; R361-E451 IonicContact NH2-OE2 3.24Å; R361-E451 PolarHBondContact NH2-OE2 3.28Å; R361-I452 HydrophobicContact CB-CD1 4.4Å; R361-I452 HydrophobicContact CG-CD1 4.21Å
362	L	94.9	Very high	93.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-39.3	179	-69	171.1	0	0	0	113	F358 R359 E366 L367 I368 I373 L376 L377 F445	F358-L362 HydrophobicContact CD1-CD1 4.27Å; F358-L362 HydrophobicContact CD2-CD1 3.99Å; F358-L362 HydrophobicContact CD2-CD2 4.39Å; F358-L362 HydrophobicContact CD2-CG 3.91Å; F358-L362 HydrophobicContact CE1-CD1 4.02Å; F358-L362 HydrophobicContact CE2-CD1 3.75Å; F358-L362 HydrophobicContact CE2-CD2 3.74Å; F358-L362 HydrophobicContact CE2-CG 3.71Å; F358-L362 HydrophobicContact CG-CD1 4.26Å; F358-L362 HydrophobicContact CZ-CD1 3.77Å; F358-L362 HydrophobicContact CZ-CD2 4.2Å; F358-L362 HydrophobicContact CZ-CG 4.22Å; F358-L362 WeakPolarHBondContact O-CG 3.17Å; F358-L362 PolarHBondContact O-N 2.88Å; R359-L362 PolarHBondContact O-N 2.96Å; L362-E366 PolarHBondContact O-N 2.91Å; L362-L367 HydrophobicContact CD2-CB 4.49Å; L362-L367 HydrophobicContact CD2-CD1 4.37Å; L362-L367 PolarHBondContact O-N 2.86Å; L362-I368 HydrophobicContact CD1-CD1 4.29Å; L362-I368 HydrophobicContact CD2-CD1 4.27Å; L362-I368 HydrophobicContact CD2-CG1 4.32Å; L362-I373 HydrophobicContact CB-CD1 4.16Å; L362-I373 HydrophobicContact CB-CG1 4.39Å; L362-L376 HydrophobicContact CD1-CD2 4.01Å; L362-L377 HydrophobicContact CD1-CD1 4.42Å; L362-F445 HydrophobicContact CD2-CD2 3.75Å; L362-F445 HydrophobicContact CD2-CE2 3.55Å
363	I	93.4	Very high	93.5	Very high	71 Å²	71	57.7 Å²	57.7	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-71.1	-51.5	176.3	-65.6	170.3	0	0	0	110.6	R359 R361 E365 E366 I373	R359-I363 HydrophobicContact CG-CD1 4.09Å; R359-I363 WeakPolarHBondContact O-CG1 3.47Å; R359-I363 PolarHBondContact O-N 3.04Å; R359-I363 VanDerWaalsContact O-N 3.07Å; R361-I363 VanDerWaalsContact C-N 3.32Å; R361-I363 PolarHBondContact O-N 2.86Å; I363-E365 PolarHBondContact O-N 2.94Å; I363-E366 PolarHBondContact O-N 3.45Å; I363-I373 HydrophobicContact CG1-CD1 3.62Å
364	K	93.8	Very high	93.3	Very high	175 Å²	175	61.1 Å²	61.1	76%	0.761	30%	0.303	S	S	*	.	H	α-helix	trans	-60.8	-28.3	-174.9	-178.7	179	175.9	-175.7	0	113.7	N360 R361	N360-K364 WeakPolarHBondContact O-CB 3.13Å; N360-K364 PolarHBondContact O-N 3.19Å; R361-K364 PolarHBondContact O-N 3.17Å
365	E	93.4	Very high	93.1	Very high	73 Å²	73	67.9 Å²	67.9	34%	0.341	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	6.3	-178.2	-68.3	174.7	-119.5	0	0	113.8	R361 I363 L367 V448	R361-E365 IonicContact CZ-OE1 2.72Å; R361-E365 IonicContact NE-OE1 3.44Å; R361-E365 PolarHBondContact NE-OE1 3.47Å; R361-E365 IonicContact NH2-OE1 3.8Å; R361-E365 PolarHBondContact NH2-OE1 2.85Å; R361-E365 IonicContact NH2-OE2 3.87Å; R361-E365 PolarHBondContact O-N 3.41Å; R361-E365 VanDerWaalsContact O-N 3.12Å; I363-E365 PolarHBondContact O-N 2.94Å; E365-L367 HydrophobicContact CB-CD1 4.14Å; E365-L367 HydrophobicContact CB-CD2 3.99Å; E365-L367 HydrophobicContact CB-CG 3.72Å; E365-L367 WeakPolarHBondContact O-CD2 3.37Å; E365-L367 PolarHBondContact O-N 3.29Å; E365-V448 WeakPolarHBondContact OE2-CG2 3.37Å
366	E	92.2	Very high	93.2	Very high	171 Å²	171	67.7 Å²	67.7	80%	0.799	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	29.8	174.7	-55.2	-172.9	152.2	0	0	114.3	L362 I363 I368	L362-E366 PolarHBondContact O-N 2.91Å; I363-E366 PolarHBondContact O-N 3.45Å; E366-I368 VanDerWaalsContact C-N 3.27Å; E366-I368 PolarHBondContact O-N 2.9Å
367	L	90.4	Very high	93.2	Very high	29 Å²	29	65 Å²	65	15%	0.152	31%	0.312	C	S	.	.			trans	-69	-25.4	-167.9	-61.9	-180	0	0	0	113.8	L362 E365 K444 V448	L362-L367 HydrophobicContact CD2-CB 4.49Å; L362-L367 HydrophobicContact CD2-CD1 4.37Å; L362-L367 PolarHBondContact O-N 2.86Å; E365-L367 HydrophobicContact CB-CD1 4.14Å; E365-L367 HydrophobicContact CB-CD2 3.99Å; E365-L367 HydrophobicContact CB-CG 3.72Å; E365-L367 WeakPolarHBondContact O-CD2 3.37Å; E365-L367 PolarHBondContact O-N 3.29Å; L367-K444 HydrophobicContact CD2-CB 3.72Å; L367-K444 HydrophobicContact CD2-CD 3.98Å; L367-V448 HydrophobicContact CD1-CB 4.09Å; L367-V448 HydrophobicContact CD1-CG1 4.47Å; L367-V448 HydrophobicContact CD1-CG2 3.73Å
368	I	92.3	Very high	93.1	Very high	18 Å²	18	64.4 Å²	64.4	9%	0.092	31%	0.311	C	S	.	.	S	Bend	trans	-148.6	155.4	178.6	51.4	170.8	0	0	0	110.3	L362 E366 K372 I373 L376 L439 F445	L362-I368 HydrophobicContact CD1-CD1 4.29Å; L362-I368 HydrophobicContact CD2-CD1 4.27Å; L362-I368 HydrophobicContact CD2-CG1 4.32Å; E366-I368 VanDerWaalsContact C-N 3.27Å; E366-I368 PolarHBondContact O-N 2.9Å; I368-K372 HydrophobicContact CB-CB 4.09Å; I368-K372 HydrophobicContact CD1-CB 4.14Å; I368-I373 HydrophobicContact CD1-CG1 3.7Å; I368-I373 HydrophobicContact CG1-CD1 4.41Å; I368-I373 HydrophobicContact CG1-CG1 3.67Å; I368-L376 HydrophobicContact CD1-CD2 4.18Å; I368-L439 HydrophobicContact CD1-CD1 3.98Å; I368-L439 HydrophobicContact CG2-CD1 3.89Å; I368-L439 HydrophobicContact CG2-CD2 3.52Å; I368-L439 HydrophobicContact CG2-CG 4.34Å; I368-F445 HydrophobicContact CD1-CE2 4.43Å
369	T	92.9	Very high	93	Very high	86 Å²	86	64.8 Å²	64.8	53%	0.528	31%	0.313	S	S	.	.			trans	-63.2	152.6	175.6	51.1	0	0	0	0	111.8	D371 K372 I373	T369-D371 VanDerWaalsContact C-N 3.28Å; T369-D371 PolarHBondContact O-N 2.97Å; T369-K372 WeakPolarHBondContact O-CA 3.37Å; T369-K372 WeakPolarHBondContact O-CB 3.33Å; T369-K372 PolarHBondContact O-N 3.34Å; T369-K372 WeakPolarHBondContact OG1-CG 3.24Å; T369-I373 PolarHBondContact O-N 3.23Å
370	N	90.9	Very high	93	Very high	108 Å²	108	60.8 Å²	60.8	58%	0.578	30%	0.298	S	S	*	.	H	α-helix	trans	-54.3	-43.2	178.5	-170.8	-64.4	0	0	0	112.3	K372 I373 T374	N370-K372 VanDerWaalsContact C-N 3.25Å; N370-K372 PolarHBondContact O-N 3.14Å; N370-I373 WeakPolarHBondContact O-CA 3.04Å; N370-I373 WeakPolarHBondContact O-CB 3.45Å; N370-I373 PolarHBondContact O-N 3.03Å; N370-T374 PolarHBondContact O-N 2.92Å; N370-T374 PolarHBondContact O-OG1 2.89Å
371	D	90.6	Very high	93.1	Very high	74 Å²	74	59.3 Å²	59.3	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-48.2	-43.4	169.4	163.1	84.1	0	0	0	113.1	T369 T374 R375	T369-D371 VanDerWaalsContact C-N 3.28Å; T369-D371 PolarHBondContact O-N 2.97Å; D371-T374 PolarHBondContact O-N 3.35Å; D371-R375 VanDerWaalsContact O-CG 3.29Å; D371-R375 WeakPolarHBondContact O-CG 3.46Å; D371-R375 PolarHBondContact O-N 3Å; D371-R375 IonicContact OD1-CZ 3.59Å; D371-R375 IonicContact OD1-NE 3.63Å; D371-R375 PolarHBondContact OD1-NE 3.17Å; D371-R375 IonicContact OD1-NH2 2.76Å; D371-R375 PolarHBondContact OD1-NH2 3.28Å; D371-R375 IonicContact OD2-CZ 2.69Å; D371-R375 IonicContact OD2-NE 3.67Å; D371-R375 PolarHBondContact OD2-NE 3.1Å; D371-R375 IonicContact OD2-NH2 3.24Å
372	K	92.8	Very high	93.1	Very high	79 Å²	79	59.2 Å²	59.2	34%	0.343	30%	0.302	S	S	.	.	H	α-helix	trans	-77	-28.3	178.7	-71.1	-171.7	178.7	-162.5	0	113.1	I368 T369 N370 L376	I368-K372 HydrophobicContact CB-CB 4.09Å; I368-K372 HydrophobicContact CD1-CB 4.14Å; T369-K372 WeakPolarHBondContact O-CA 3.37Å; T369-K372 WeakPolarHBondContact O-CB 3.33Å; T369-K372 PolarHBondContact O-N 3.34Å; T369-K372 WeakPolarHBondContact OG1-CG 3.24Å; N370-K372 VanDerWaalsContact C-N 3.25Å; N370-K372 PolarHBondContact O-N 3.14Å; K372-L376 WeakPolarHBondContact O-CB 3.28Å; K372-L376 PolarHBondContact O-N 3.45Å
373	I	94.4	Very high	93.1	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-46.4	169.6	-58.1	176.6	0	0	0	109.2	R359 L362 I363 I368 T369 N370 L376 L377	R359-I373 HydrophobicContact CG-CG2 4.15Å; L362-I373 HydrophobicContact CB-CD1 4.16Å; L362-I373 HydrophobicContact CB-CG1 4.39Å; I363-I373 HydrophobicContact CG1-CD1 3.62Å; I368-I373 HydrophobicContact CD1-CG1 3.7Å; I368-I373 HydrophobicContact CG1-CD1 4.41Å; I368-I373 HydrophobicContact CG1-CG1 3.67Å; T369-I373 PolarHBondContact O-N 3.23Å; N370-I373 WeakPolarHBondContact O-CA 3.04Å; N370-I373 WeakPolarHBondContact O-CB 3.45Å; N370-I373 PolarHBondContact O-N 3.03Å; I373-L376 PolarHBondContact O-N 3.13Å; I373-L376 VanDerWaalsContact O-N 3.11Å; I373-L377 HydrophobicContact CG2-CD1 4.16Å; I373-L377 PolarHBondContact O-N 2.73Å
374	T	92	Very high	93.3	Very high	76 Å²	76	57.8 Å²	57.8	47%	0.466	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-41.1	176.9	-57.1	0	0	0	0	111.8	N370 D371 L376 A378	N370-T374 PolarHBondContact O-N 2.92Å; N370-T374 PolarHBondContact O-OG1 2.89Å; D371-T374 PolarHBondContact O-N 3.35Å; T374-L376 VanDerWaalsContact C-N 3.29Å; T374-L376 PolarHBondContact O-N 3.09Å; T374-A378 WeakPolarHBondContact O-CA 3.39Å; T374-A378 PolarHBondContact O-N 2.99Å
375	R	91.3	Very high	93.4	Very high	142 Å²	142	55.3 Å²	55.3	54%	0.536	28%	0.283	S	S	.	.	H	α-helix	trans	-68.1	-23.5	172.3	-69.3	173.5	-159.6	-121	1	114.1	D371 N428 L435	D371-R375 VanDerWaalsContact O-CG 3.29Å; D371-R375 WeakPolarHBondContact O-CG 3.46Å; D371-R375 PolarHBondContact O-N 3Å; D371-R375 IonicContact OD1-CZ 3.59Å; D371-R375 IonicContact OD1-NE 3.63Å; D371-R375 PolarHBondContact OD1-NE 3.17Å; D371-R375 IonicContact OD1-NH2 2.76Å; D371-R375 PolarHBondContact OD1-NH2 3.28Å; D371-R375 IonicContact OD2-CZ 2.69Å; D371-R375 IonicContact OD2-NE 3.67Å; D371-R375 PolarHBondContact OD2-NE 3.1Å; D371-R375 IonicContact OD2-NH2 3.24Å; R375-N428 PolarHBondContact O-ND2 3.3Å; R375-L435 HydrophobicContact CB-CD2 3.7Å
376	L	94	Very high	93.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-88.4	-35.1	-179.1	-178.3	61.6	0	0	0	112.8	F358 L362 I368 K372 I373 T374 A432 L435 F436 L439 F445	F358-L376 HydrophobicContact CE1-CD2 4.03Å; F358-L376 HydrophobicContact CZ-CD2 4.11Å; L362-L376 HydrophobicContact CD1-CD2 4.01Å; I368-L376 HydrophobicContact CD1-CD2 4.18Å; K372-L376 WeakPolarHBondContact O-CB 3.28Å; K372-L376 PolarHBondContact O-N 3.45Å; I373-L376 PolarHBondContact O-N 3.13Å; I373-L376 VanDerWaalsContact O-N 3.11Å; T374-L376 VanDerWaalsContact C-N 3.29Å; T374-L376 PolarHBondContact O-N 3.09Å; L376-A432 WeakPolarHBondContact CD1-O 3.03Å; L376-A432 WeakPolarHBondContact O-CB 3.28Å; L376-L435 HydrophobicContact CB-CD2 4.18Å; L376-F436 HydrophobicContact CD1-CB 3.78Å; L376-F436 HydrophobicContact CD1-CD2 4.14Å; L376-F436 HydrophobicContact CD1-CG 4.47Å; L376-L439 HydrophobicContact CD2-CD1 4.31Å; L376-F445 HydrophobicContact CD2-CE2 4.12Å; L376-F445 HydrophobicContact CD2-CZ 4.04Å
377	L	94.4	Very high	93.9	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-118.3	-9.5	-172.6	-59.7	178.2	0	0	0	114.1	F358 R359 L362 I373 N379 V380 L467	F358-L377 HydrophobicContact CD1-CD2 4.08Å; F358-L377 HydrophobicContact CE1-CD2 4.32Å; R359-L377 HydrophobicContact CB-CD1 3.68Å; R359-L377 HydrophobicContact CG-CD1 3.95Å; L362-L377 HydrophobicContact CD1-CD1 4.42Å; I373-L377 HydrophobicContact CG2-CD1 4.16Å; I373-L377 PolarHBondContact O-N 2.73Å; L377-N379 PolarHBondContact O-N 3.47Å; L377-V380 WeakPolarHBondContact O-CB 3.45Å; L377-V380 WeakPolarHBondContact O-CG2 3.41Å; L377-V380 PolarHBondContact O-N 2.88Å; L377-L467 HydrophobicContact CD2-CD2 4.5Å
378	A	91.9	Very high	94.2	Very high	24 Å²	24	45.8 Å²	45.8	20%	0.198	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.7	-120.2	-174.7	0	0	0	0	0	111.7	T374 Y425 N428	T374-A378 WeakPolarHBondContact O-CA 3.39Å; T374-A378 PolarHBondContact O-N 2.99Å; A378-Y425 HydrophobicContact CB-CD2 4.04Å; A378-N428 HydrophobicContact CB-CB 4.27Å
379	N	93.3	Very high	94.4	Very high	7 Å²	7	48 Å²	48	4%	0.037	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	24.4	-179.3	70.6	-5.2	0	0	0	114.9	L377 S381 S382 L383 M421 E424	L377-N379 PolarHBondContact O-N 3.47Å; N379-S381 PolarHBondContact O-N 3.36Å; N379-S381 VanDerWaalsContact O-N 3.15Å; N379-S382 WeakPolarHBondContact O-CA 3.35Å; N379-S382 WeakPolarHBondContact O-CB 3.48Å; N379-S382 PolarHBondContact O-N 3.18Å; N379-L383 PolarHBondContact O-N 2.72Å; N379-M421 PolarHBondContact ND2-O 2.88Å; N379-E424 HydrophobicContact CB-CG 4.48Å; N379-E424 WeakPolarHBondContact CB-OE2 3.29Å; N379-E424 WeakPolarHBondContact ND2-CB 3.22Å; N379-E424 PolarHBondContact ND2-OE2 2.82Å
380	V	95.7	Very high	94.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-56.6	-32.3	179.1	171.7	0	0	0	0	112.8	L351 L354 L377 L383 Y384 Y425	L351-V380 HydrophobicContact CD2-CG1 3.9Å; L354-V380 HydrophobicContact CB-CG1 3.79Å; L377-V380 WeakPolarHBondContact O-CB 3.45Å; L377-V380 WeakPolarHBondContact O-CG2 3.41Å; L377-V380 PolarHBondContact O-N 2.88Å; V380-L383 PolarHBondContact O-N 2.71Å; V380-Y384 VanDerWaalsContact O-CB 3.32Å; V380-Y384 WeakPolarHBondContact O-CB 3.48Å; V380-Y384 PolarHBondContact O-N 2.77Å; V380-Y425 HydrophobicContact CG2-CD2 3.5Å; V380-Y425 VanDerWaalsContact CG2-CD2 3.5Å; V380-Y425 HydrophobicContact CG2-CE2 3.21Å; V380-Y425 HydrophobicContact CG2-CG 4.49Å
381	S	94.6	Very high	94.9	Very high	37 Å²	37	43.3 Å²	43.3	26%	0.259	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-35.7	173.1	-55.7	0	0	0	0	112.7	G355 R359 N379 Q385	G355-S381 PolarHBondContact O-OG 3Å; R359-S381 WeakPolarHBondContact CD-OG 3.03Å; R359-S381 PolarHBondContact NE-OG 3.26Å; N379-S381 PolarHBondContact O-N 3.36Å; N379-S381 VanDerWaalsContact O-N 3.15Å; S381-Q385 WeakPolarHBondContact O-CB 3.37Å; S381-Q385 PolarHBondContact O-N 2.71Å
382	S	95.1	Very high	95.2	Very high	62 Å²	62	40.1 Å²	40.1	43%	0.434	21%	0.206	S	C	.	.	H	α-helix	trans	-71.1	-41.5	175.2	-45.5	0	0	0	0	111.5	N379 Q385 F386	N379-S382 WeakPolarHBondContact O-CA 3.35Å; N379-S382 WeakPolarHBondContact O-CB 3.48Å; N379-S382 PolarHBondContact O-N 3.18Å; S382-Q385 PolarHBondContact O-N 2.72Å; S382-F386 WeakPolarHBondContact O-CB 3.34Å; S382-F386 PolarHBondContact O-N 3.3Å
383	L	96.3	Very high	95.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-51.4	170.1	-74.4	166.2	0	0	0	110.3	L351 N379 V380 Q385 F386 H387 M421 Y422 Y425 P470	L351-L383 HydrophobicContact CD1-CB 4.13Å; L351-L383 HydrophobicContact CD2-CB 3.82Å; N379-L383 PolarHBondContact O-N 2.72Å; V380-L383 PolarHBondContact O-N 2.71Å; L383-Q385 VanDerWaalsContact C-N 3.33Å; L383-Q385 PolarHBondContact O-N 2.69Å; L383-F386 PolarHBondContact O-N 3.24Å; L383-H387 WeakPolarHBondContact O-CB 3.41Å; L383-H387 PolarHBondContact O-CD2 3.07Å; L383-H387 PolarHBondContact O-N 2.84Å; L383-M421 HydrophobicContact CD2-CG 3.67Å; L383-M421 HydrophobicContact CD2-SD 3.83Å; L383-M421 HydrophobicContact CG-CG 4.44Å; L383-M421 HydrophobicContact CG-SD 4.3Å; L383-Y422 HydrophobicContact CD2-CD1 4.18Å; L383-Y422 HydrophobicContact CD2-CD2 3.58Å; L383-Y422 HydrophobicContact CD2-CE1 4.12Å; L383-Y422 HydrophobicContact CD2-CE2 3.51Å; L383-Y422 HydrophobicContact CD2-CG 3.96Å; L383-Y425 HydrophobicContact CD1-CG 4.48Å; L383-P470 HydrophobicContact CD1-CB 4.25Å
384	Y	97.3	Very high	95.6	Very high	41 Å²	41	40.5 Å²	40.5	16%	0.161	21%	0.214	C	C	.	.	H	α-helix	trans	-55	-48.9	177.3	175.8	-126.9	0	0	0	111.5	V348 L351 K352 D356 V380 N388	V348-Y384 HydrophobicContact CG1-CD2 4.42Å; V348-Y384 HydrophobicContact CG1-CE2 4.06Å; L351-Y384 HydrophobicContact CB-CD2 3.96Å; L351-Y384 HydrophobicContact CB-CG 4.36Å; K352-Y384 HydrophobicContact CB-CD2 4.03Å; K352-Y384 HydrophobicContact CB-CE2 3.52Å; K352-Y384 HydrophobicContact CD-CE2 4.47Å; K352-Y384 HydrophobicContact CG-CE1 4.38Å; K352-Y384 HydrophobicContact CG-CE2 4Å; D356-Y384 HydrophobicContact CB-CD1 4.4Å; D356-Y384 HydrophobicContact CB-CE1 4.15Å; V380-Y384 VanDerWaalsContact O-CB 3.32Å; V380-Y384 WeakPolarHBondContact O-CB 3.48Å; V380-Y384 PolarHBondContact O-N 2.77Å; Y384-N388 HydrophobicContact CD2-CB 4.05Å; Y384-N388 HydrophobicContact CE2-CB 3.75Å; Y384-N388 WeakPolarHBondContact O-CB 3.46Å; Y384-N388 PolarHBondContact O-N 3.31Å
385	Q	96.4	Very high	95.9	Very high	122 Å²	122	36.9 Å²	36.9	57%	0.57	19%	0.192	S	C	*	.	H	α-helix	trans	-56.5	-56.6	176.8	-175.5	176.3	-3	0	0	111.2	S381 S382 L383 H387 N388 T389	S381-Q385 WeakPolarHBondContact O-CB 3.37Å; S381-Q385 PolarHBondContact O-N 2.71Å; S382-Q385 PolarHBondContact O-N 2.72Å; L383-Q385 VanDerWaalsContact C-N 3.33Å; L383-Q385 PolarHBondContact O-N 2.69Å; Q385-H387 PolarHBondContact O-N 3.23Å; Q385-N388 PolarHBondContact O-N 3.12Å; Q385-T389 HydrophobicContact CG-CG2 4.41Å; Q385-T389 WeakPolarHBondContact O-CB 3.43Å; Q385-T389 PolarHBondContact O-N 3.19Å; Q385-T389 PolarHBondContact O-OG1 2.69Å
386	F	96.5	Very high	96.2	Very high	12 Å²	12	34 Å²	34	5%	0.053	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-48.1	-178.9	164.8	-106.7	0	0	0	113.2	S382 L383 H390 F391 Q415 F418 L419 M421	S382-F386 WeakPolarHBondContact O-CB 3.34Å; S382-F386 PolarHBondContact O-N 3.3Å; L383-F386 PolarHBondContact O-N 3.24Å; F386-H390 HydrophobicContact CD2-CB 4.41Å; F386-H390 WeakPolarHBondContact O-CB 3.41Å; F386-H390 PolarHBondContact O-N 3.36Å; F386-H390 VanDerWaalsContact O-N 3.1Å; F386-F391 HydrophobicContact CE1-CB 4.43Å; F386-F391 HydrophobicContact CZ-CB 4.3Å; F386-F391 PolarHBondContact O-N 3.18Å; F386-F391 VanDerWaalsContact O-N 3.12Å; F386-Q415 HydrophobicContact CE2-CB 4.45Å; F386-Q415 HydrophobicContact CZ-CB 4.06Å; F386-F418 HydrophobicContact CD2-CB 4.1Å; F386-F418 HydrophobicContact CD2-CG 4.43Å; F386-F418 HydrophobicContact CE1-CB 4.32Å; F386-F418 HydrophobicContact CE2-CB 3.47Å; F386-F418 VanDerWaalsContact CE2-CB 3.47Å; F386-F418 AromaticContact CE2-CD2 3.96Å; F386-F418 HydrophobicContact CE2-CD2 3.96Å; F386-F418 AromaticContact CE2-CG 3.83Å; F386-F418 HydrophobicContact CE2-CG 3.83Å; F386-F418 HydrophobicContact CZ-CB 3.6Å; F386-F418 HydrophobicContact CZ-CG 4.38Å; F386-L419 HydrophobicContact CE1-CD2 4.1Å; F386-M421 HydrophobicContact CB-CE 3.85Å; F386-M421 HydrophobicContact CB-SD 4.24Å; F386-M421 HydrophobicContact CD1-CE 3.96Å; F386-M421 HydrophobicContact CD1-SD 4.4Å; F386-M421 HydrophobicContact CD2-CE 4.16Å; F386-M421 HydrophobicContact CG-CE 3.71Å; F386-M421 HydrophobicContact CG-SD 4.45Å
387	H	97.8	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-67.8	-42.6	-178.8	-75.5	-78.4	0	0	0	111.8	E344 Y347 V348 L351 L383 Q385 F391 L392 Y422 Y477	E344-H387 IonicContact OE1-CE1 3.56Å; E344-H387 IonicContact OE1-CG 3.69Å; E344-H387 IonicContact OE1-ND1 2.67Å; E344-H387 PolarHBondContact OE1-ND1 3.37Å; Y347-H387 AromaticContact CE1-CD2 3.93Å; Y347-H387 AromaticContact CE1-CG 4Å; V348-H387 HydrophobicContact CG2-CB 3.72Å; L351-H387 HydrophobicContact CD1-CB 3.88Å; L383-H387 WeakPolarHBondContact O-CB 3.41Å; L383-H387 PolarHBondContact O-CD2 3.07Å; L383-H387 PolarHBondContact O-N 2.84Å; Q385-H387 PolarHBondContact O-N 3.23Å; H387-F391 AromaticContact CE1-CD1 3.85Å; H387-F391 AromaticContact ND1-CD1 3.65Å; H387-F391 PolarHBondContact O-N 3.19Å; H387-L392 VanDerWaalsContact O-CB 3.28Å; H387-L392 WeakPolarHBondContact O-CB 3.49Å; H387-L392 PolarHBondContact O-N 3.29Å; H387-Y422 PolarHBondContact CE1-OH 3.27Å; H387-Y422 VanDerWaalsContact CE1-OH 3.32Å; H387-Y422 AromaticContact NE2-CE2 3.37Å; H387-Y422 WeakPolarHBondContact NE2-CE2 3.36Å; H387-Y422 AromaticContact NE2-CZ 3.51Å; H387-Y422 PolarHBondContact NE2-OH 3.25Å; H387-Y477 PolarHBondContact CE1-OH 3.08Å
388	N	97.4	Very high	96.4	Very high	62 Å²	62	39.6 Å²	39.6	33%	0.332	21%	0.214	S	C	.	.	I	π-helix	trans	-76.4	-40.2	-177.8	-174.6	69.8	0	0	0	114.1	V348 Y384 Q385 P393	V348-N388 HydrophobicContact CG1-CB 3.92Å; Y384-N388 HydrophobicContact CD2-CB 4.05Å; Y384-N388 HydrophobicContact CE2-CB 3.75Å; Y384-N388 WeakPolarHBondContact O-CB 3.46Å; Y384-N388 PolarHBondContact O-N 3.31Å; Q385-N388 PolarHBondContact O-N 3.12Å; N388-P393 VanDerWaalsContact O-CD 3.31Å; N388-P393 WeakPolarHBondContact O-CD 3.34Å; N388-P393 WeakPolarHBondContact O-CG 3.49Å
389	T	96.5	Very high	96.6	Very high	65 Å²	65	39.8 Å²	39.8	40%	0.399	21%	0.211	S	C	.	.	I	π-helix	trans	-93.9	-16.1	-175.2	68.1	0	0	0	0	114.1	Q385	Q385-T389 HydrophobicContact CG-CG2 4.41Å; Q385-T389 WeakPolarHBondContact O-CB 3.43Å; Q385-T389 PolarHBondContact O-N 3.19Å; Q385-T389 PolarHBondContact O-OG1 2.69Å
390	H	96	Very high	96.8	Very high	93 Å²	93	46.7 Å²	46.7	43%	0.431	24%	0.237	S	C	.	.	I	π-helix	trans	-126.8	-61.1	-177.1	-55.8	-45.8	0	0	0	113.2	F386 Q394	F386-H390 HydrophobicContact CD2-CB 4.41Å; F386-H390 WeakPolarHBondContact O-CB 3.41Å; F386-H390 PolarHBondContact O-N 3.36Å; F386-H390 VanDerWaalsContact O-N 3.1Å; H390-Q394 PolarHBondContact O-N 3.4Å; H390-Q394 PolarHBondContact O-NE2 3.2Å
391	F	97.5	Very high	96.7	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	25%	0.252	C	S	.	.	I	π-helix	trans	-72.6	-54.8	-166.9	-168.2	-156.1	0	0	0	113.4	E344 F386 H387 Q394 L395 V411 V412 Q415 Y477	E344-F391 VanDerWaalsContact OE1-CD1 3.25Å; E344-F391 WeakPolarHBondContact OE1-CD1 3.29Å; F386-F391 HydrophobicContact CE1-CB 4.43Å; F386-F391 HydrophobicContact CZ-CB 4.3Å; F386-F391 PolarHBondContact O-N 3.18Å; F386-F391 VanDerWaalsContact O-N 3.12Å; H387-F391 AromaticContact CE1-CD1 3.85Å; H387-F391 AromaticContact ND1-CD1 3.65Å; H387-F391 PolarHBondContact O-N 3.19Å; F391-Q394 PolarHBondContact O-N 3.24Å; F391-L395 HydrophobicContact CD1-CD1 4.28Å; F391-L395 HydrophobicContact CD2-CD1 3.76Å; F391-L395 HydrophobicContact CD2-CG 3.88Å; F391-L395 HydrophobicContact CE1-CD1 4.12Å; F391-L395 HydrophobicContact CE2-CD1 3.59Å; F391-L395 HydrophobicContact CE2-CD2 3.96Å; F391-L395 HydrophobicContact CE2-CG 3.76Å; F391-L395 HydrophobicContact CG-CD1 4.13Å; F391-L395 HydrophobicContact CZ-CD1 3.79Å; F391-L395 HydrophobicContact CZ-CG 4.42Å; F391-L395 WeakPolarHBondContact O-CG 3.33Å; F391-L395 PolarHBondContact O-N 3.18Å; F391-V411 HydrophobicContact CD2-CG1 4.04Å; F391-V411 HydrophobicContact CE2-CG1 4.08Å; F391-V412 HydrophobicContact CE2-CB 4.49Å; F391-V412 HydrophobicContact CE2-CG2 4.15Å; F391-V412 HydrophobicContact CZ-CB 4.47Å; F391-V412 HydrophobicContact CZ-CG1 4.19Å; F391-V412 HydrophobicContact CZ-CG2 4.12Å; F391-Q415 HydrophobicContact CD2-CB 3.7Å; F391-Q415 HydrophobicContact CD2-CG 3.71Å; F391-Q415 HydrophobicContact CE2-CB 4Å; F391-Q415 HydrophobicContact CE2-CG 4.31Å; F391-Q415 HydrophobicContact CG-CB 4.18Å; F391-Q415 HydrophobicContact CG-CG 4.36Å; F391-Y477 HydrophobicContact CE1-CD1 4.44Å; F391-Y477 AromaticContact CE1-CE1 3.7Å; F391-Y477 HydrophobicContact CE1-CE1 3.7Å; F391-Y477 AromaticContact CE1-CZ 3.96Å; F391-Y477 HydrophobicContact CZ-CE1 4.39Å
392	L	98.1	Very high	96.8	Very high	7 Å²	7	48 Å²	48	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-44.5	179.9	174.5	65	0	0	0	113.1	V341 E344 Q345 V348 H387 Q394 L395 L396	V341-L392 HydrophobicContact CG1-CD1 4.29Å; E344-L392 HydrophobicContact CB-CD1 4.14Å; E344-L392 HydrophobicContact CG-CB 3.97Å; E344-L392 HydrophobicContact CG-CD1 3.88Å; E344-L392 HydrophobicContact CG-CG 4.46Å; Q345-L392 HydrophobicContact CB-CD1 4.27Å; V348-L392 HydrophobicContact CB-CD2 3.92Å; V348-L392 HydrophobicContact CG1-CD2 4.08Å; V348-L392 HydrophobicContact CG2-CB 4.12Å; V348-L392 HydrophobicContact CG2-CD2 3.75Å; H387-L392 VanDerWaalsContact O-CB 3.28Å; H387-L392 WeakPolarHBondContact O-CB 3.49Å; H387-L392 PolarHBondContact O-N 3.29Å; L392-Q394 PolarHBondContact O-N 2.86Å; L392-L395 PolarHBondContact O-N 3.11Å; L392-L396 HydrophobicContact CD1-CD1 3.89Å; L392-L396 HydrophobicContact CD1-CD2 4.42Å; L392-L396 HydrophobicContact CD1-CG 3.86Å; L392-L396 HydrophobicContact CG-CD1 3.83Å; L392-L396 HydrophobicContact CG-CG 4.27Å; L392-L396 WeakPolarHBondContact O-CB 3.44Å; L392-L396 WeakPolarHBondContact O-CG 3.13Å; L392-L396 PolarHBondContact O-N 3.38Å
393	P	98	Very high	96.7	Very high	58 Å²	58	50.2 Å²	50.2	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-58	-42.6	176.1	-28.1	36.1	0	0	0	114.2	N388 L396 E397	N388-P393 VanDerWaalsContact O-CD 3.31Å; N388-P393 WeakPolarHBondContact O-CD 3.34Å; N388-P393 WeakPolarHBondContact O-CG 3.49Å; P393-L396 PolarHBondContact O-N 3.42Å; P393-E397 PolarHBondContact O-N 2.92Å
394	Q	97.7	Very high	96.6	Very high	38 Å²	38	56.4 Å²	56.4	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-70	-33.7	177.8	-73.1	167.7	94.8	0	0	111.9	H390 F391 L392 S398 V411	H390-Q394 PolarHBondContact O-N 3.4Å; H390-Q394 PolarHBondContact O-NE2 3.2Å; F391-Q394 PolarHBondContact O-N 3.24Å; L392-Q394 PolarHBondContact O-N 2.86Å; Q394-S398 WeakPolarHBondContact O-CB 3.19Å; Q394-S398 PolarHBondContact O-N 2.64Å; Q394-V411 HydrophobicContact CB-CG1 3.49Å; Q394-V411 VanDerWaalsContact CB-CG1 3.49Å; Q394-V411 HydrophobicContact CB-CG2 4.27Å
395	L	97.9	Very high	96.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-42	173.3	-74.9	173.9	0	0	0	112.1	L340 V341 E344 F391 L392 S398 I399 I408 V411 V412	L340-L395 HydrophobicContact CD2-CD2 4.27Å; V341-L395 HydrophobicContact CG1-CB 4.13Å; V341-L395 HydrophobicContact CG2-CB 3.86Å; V341-L395 HydrophobicContact CG2-CD2 4.38Å; E344-L395 HydrophobicContact CB-CD1 4.17Å; E344-L395 HydrophobicContact CG-CD1 3.91Å; F391-L395 HydrophobicContact CD1-CD1 4.28Å; F391-L395 HydrophobicContact CD2-CD1 3.76Å; F391-L395 HydrophobicContact CD2-CG 3.88Å; F391-L395 HydrophobicContact CE1-CD1 4.12Å; F391-L395 HydrophobicContact CE2-CD1 3.59Å; F391-L395 HydrophobicContact CE2-CD2 3.96Å; F391-L395 HydrophobicContact CE2-CG 3.76Å; F391-L395 HydrophobicContact CG-CD1 4.13Å; F391-L395 HydrophobicContact CZ-CD1 3.79Å; F391-L395 HydrophobicContact CZ-CG 4.42Å; F391-L395 WeakPolarHBondContact O-CG 3.33Å; F391-L395 PolarHBondContact O-N 3.18Å; L392-L395 PolarHBondContact O-N 3.11Å; L395-S398 PolarHBondContact O-N 3.32Å; L395-I399 WeakPolarHBondContact O-CB 3.46Å; L395-I399 WeakPolarHBondContact O-CG2 3.25Å; L395-I399 PolarHBondContact O-N 2.82Å; L395-I408 HydrophobicContact CD2-CD1 3.58Å; L395-I408 HydrophobicContact CD2-CG1 3.97Å; L395-V411 HydrophobicContact CD2-CB 4.17Å; L395-V411 HydrophobicContact CD2-CG1 3.97Å; L395-V411 HydrophobicContact CG-CG1 4.05Å; L395-V412 HydrophobicContact CD2-CG2 4.23Å
396	L	97.7	Very high	96.4	Very high	82 Å²	82	54.2 Å²	54.2	43%	0.429	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-37.8	176.3	-74.1	169.4	0	0	0	112.4	V341 L392 P393 I399 R400	V341-L396 HydrophobicContact CG1-CD2 3.78Å; V341-L396 HydrophobicContact CG1-CG 4.16Å; L392-L396 HydrophobicContact CD1-CD1 3.89Å; L392-L396 HydrophobicContact CD1-CD2 4.42Å; L392-L396 HydrophobicContact CD1-CG 3.86Å; L392-L396 HydrophobicContact CG-CD1 3.83Å; L392-L396 HydrophobicContact CG-CG 4.27Å; L392-L396 WeakPolarHBondContact O-CB 3.44Å; L392-L396 WeakPolarHBondContact O-CG 3.13Å; L392-L396 PolarHBondContact O-N 3.38Å; P393-L396 PolarHBondContact O-N 3.42Å; L396-I399 WeakPolarHBondContact O-CG2 2.26Å; L396-R400 PolarHBondContact O-N 3.03Å
397	E	96.7	Very high	96.4	Very high	108 Å²	108	57.9 Å²	57.9	51%	0.505	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-50.4	170.9	171.8	154.3	-111.6	0	0	111.8	P393 I399 R400 D401	P393-E397 PolarHBondContact O-N 2.92Å; E397-I399 PolarHBondContact O-N 3.27Å; E397-R400 WeakPolarHBondContact O-CB 2.26Å; E397-R400 PolarHBondContact O-N 3.36Å; E397-R400 IonicContact OE1-NH2 3.53Å; E397-R400 PolarHBondContact OE1-NH2 2.99Å; E397-D401 PolarHBondContact O-N 3.24Å
398	S	96.3	Very high	96.4	Very high	12 Å²	12	57.9 Å²	57.9	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-70.4	-30.5	-175.1	-155.3	0	0	0	0	113.2	Q394 L395 W402 R407	Q394-S398 WeakPolarHBondContact O-CB 3.19Å; Q394-S398 PolarHBondContact O-N 2.64Å; L395-S398 PolarHBondContact O-N 3.32Å; S398-W402 WeakPolarHBondContact O-CB 3.46Å; S398-W402 PolarHBondContact O-N 3.37Å; S398-R407 PolarHBondContact OG-O 2.79Å
399	I	96.6	Very high	96.3	Very high	28 Å²	28	54.9 Å²	54.9	14%	0.144	27%	0.274	C	S	.	.	H	α-helix	trans	-74.1	-32.3	176.3	-162.9	62.6	0	0	0	112.8	A337 V341 L395 L396 E397 D401 W402	A337-I399 HydrophobicContact CB-CD1 3.8Å; V341-I399 HydrophobicContact CB-CG2 4.48Å; V341-I399 HydrophobicContact CG1-CG2 4.23Å; V341-I399 HydrophobicContact CG2-CB 4Å; V341-I399 HydrophobicContact CG2-CG1 4.31Å; V341-I399 HydrophobicContact CG2-CG2 4.24Å; L395-I399 WeakPolarHBondContact O-CB 3.46Å; L395-I399 WeakPolarHBondContact O-CG2 3.25Å; L395-I399 PolarHBondContact O-N 2.82Å; L396-I399 WeakPolarHBondContact O-CG2 2.26Å; E397-I399 PolarHBondContact O-N 3.27Å; I399-D401 VanDerWaalsContact C-N 3.31Å; I399-D401 PolarHBondContact O-N 2.69Å; I399-W402 HydrophobicContact CD1-CB 4.27Å; I399-W402 HydrophobicContact CD1-CG 4.45Å; I399-W402 WeakPolarHBondContact O-CB 2.23Å; I399-W402 PolarHBondContact O-N 3.23Å
400	R	96.2	Very high	96.3	Very high	152 Å²	152	54.1 Å²	54.1	57%	0.574	27%	0.267	S	S	*	.	H	α-helix	trans	-57.7	-46.7	173.4	179	-167.8	68.5	-142.1	-5.7	110.6	L396 E397	L396-R400 PolarHBondContact O-N 3.03Å; E397-R400 WeakPolarHBondContact O-CB 2.26Å; E397-R400 PolarHBondContact O-N 3.36Å; E397-R400 IonicContact OE1-NH2 3.53Å; E397-R400 PolarHBondContact OE1-NH2 2.99Å
401	D	94.7	Very high	96.4	Very high	62 Å²	62	50 Å²	50	33%	0.332	25%	0.249	S	C	.	.	H	α-helix	trans	-92.7	-3.2	-173.7	-56.4	-21.7	0	0	0	112.7	E397 I399 H403 T404 T405	E397-D401 PolarHBondContact O-N 3.24Å; I399-D401 VanDerWaalsContact C-N 3.31Å; I399-D401 PolarHBondContact O-N 2.69Å; D401-H403 VanDerWaalsContact C-N 3.25Å; D401-H403 PolarHBondContact O-N 3.38Å; D401-H403 VanDerWaalsContact O-N 3.13Å; D401-T404 PolarHBondContact O-N 3.49Å; D401-T405 HydrophobicContact CB-CG2 4.1Å; D401-T405 PolarHBondContact O-N 2.9Å; D401-T405 PolarHBondContact O-OG1 3.46Å
402	W	96.5	Very high	96.3	Very high	2 Å²	2	50 Å²	50	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-54.7	-35.6	-174.7	-169.5	95.8	0	0	0	113.7	Y330 A333 W334 S398 I399 T404 T405 K406 Y484	Y330-W402 HydrophobicContact CD1-CH2 4.28Å; Y330-W402 VanDerWaalsContact O-CH2 3.28Å; Y330-W402 WeakPolarHBondContact O-CH2 2.26Å; A333-W402 HydrophobicContact CB-CH2 4.06Å; A333-W402 HydrophobicContact CB-CZ2 3.86Å; W334-W402 HydrophobicContact CB-CE3 4.06Å; W334-W402 HydrophobicContact CB-CH2 3.98Å; W334-W402 HydrophobicContact CB-CZ3 3.65Å; W334-W402 AromaticContact CD1-CE3 3.54Å; W334-W402 HydrophobicContact CG-CE3 4.2Å; W334-W402 HydrophobicContact CG-CZ3 4.22Å; S398-W402 WeakPolarHBondContact O-CB 3.46Å; S398-W402 PolarHBondContact O-N 3.37Å; I399-W402 HydrophobicContact CD1-CB 4.27Å; I399-W402 HydrophobicContact CD1-CG 4.45Å; I399-W402 WeakPolarHBondContact O-CB 2.23Å; I399-W402 PolarHBondContact O-N 3.23Å; W402-T404 PolarHBondContact O-N 3.19Å; W402-T404 VanDerWaalsContact O-N 3.16Å; W402-T405 WeakPolarHBondContact CA-OG1 2.77Å; W402-T405 PolarHBondContact O-N 3.35Å; W402-K406 HydrophobicContact CE3-CD 4.18Å; W402-K406 HydrophobicContact CH2-CD 3.88Å; W402-K406 HydrophobicContact CZ2-CD 4.29Å; W402-K406 HydrophobicContact CZ3-CD 3.82Å; W402-K406 WeakPolarHBondContact O-CA 2.26Å; W402-K406 PolarHBondContact O-N 2.87Å; W402-Y484 HydrophobicContact CZ2-CE2 4.14Å; W402-Y484 AromaticContact NE1-CE2 3.94Å; W402-Y484 AromaticContact NE1-CZ 3.91Å; W402-Y484 PolarHBondContact NE1-OH 2.82Å
403	H	92.9	Very high	96.3	Very high	109 Å²	109	53.7 Å²	53.7	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-58.9	-30	178.5	-71.6	-76.6	0	0	0	112.6	W334 D401 K406	W334-H403 AromaticContact CD1-CE1 3.63Å; W334-H403 AromaticContact CD1-NE2 3.72Å; W334-H403 AromaticContact CE2-CE1 3.73Å; W334-H403 AromaticContact CE2-NE2 3.58Å; W334-H403 AromaticContact CZ2-NE2 3.97Å; W334-H403 AromaticContact NE1-CD2 3.97Å; W334-H403 AromaticContact NE1-CE1 3.33Å; W334-H403 PolarHBondContact NE1-CE1 3.23Å; W334-H403 VanDerWaalsContact NE1-CE1 3.33Å; W334-H403 AromaticContact NE1-NE2 3.03Å; W334-H403 PolarHBondContact NE1-NE2 3.09Å; D401-H403 VanDerWaalsContact C-N 3.25Å; D401-H403 PolarHBondContact O-N 3.38Å; D401-H403 VanDerWaalsContact O-N 3.13Å; H403-K406 PolarHBondContact O-NZ 3.33Å
404	T	94.2	Very high	96.2	Very high	130 Å²	130	57 Å²	57	80%	0.798	27%	0.271	S	S	*	.	H	α-helix	trans	-93.3	-46.2	175.7	-52.7	0	0	0	0	111.9	D401 W402	D401-T404 PolarHBondContact O-N 3.49Å; W402-T404 PolarHBondContact O-N 3.19Å; W402-T404 VanDerWaalsContact O-N 3.16Å
405	T	94.4	Very high	96.1	Very high	60 Å²	60	55.8 Å²	55.8	37%	0.368	27%	0.265	S	S	.	.	H	α-helix	trans	-82.4	-27.5	-171.7	64	0	0	0	0	114.3	D401 W402 R407 V493	D401-T405 HydrophobicContact CB-CG2 4.1Å; D401-T405 PolarHBondContact O-N 2.9Å; D401-T405 PolarHBondContact O-OG1 3.46Å; W402-T405 WeakPolarHBondContact CA-OG1 2.77Å; W402-T405 PolarHBondContact O-N 3.35Å; T405-R407 WeakPolarHBondContact O-CG 3.21Å; T405-R407 PolarHBondContact O-N 2.88Å; T405-R407 PolarHBondContact OG1-N 3.33Å; T405-V493 WeakPolarHBondContact O-CG2 3.07Å
406	K	95.1	Very high	95.9	Very high	58 Å²	58	55.8 Å²	55.8	25%	0.252	27%	0.265	S	S	.	.			trans	54.3	23.6	-165.7	-51.4	-54	-173.6	-153.5	0	114.7	Y330 W402 H403 Y484 V493 D494	Y330-K406 HydrophobicContact CD1-CD 4.23Å; Y330-K406 HydrophobicContact CE1-CD 4.48Å; Y330-K406 HydrophobicContact CE1-CG 4.36Å; W402-K406 HydrophobicContact CE3-CD 4.18Å; W402-K406 HydrophobicContact CH2-CD 3.88Å; W402-K406 HydrophobicContact CZ2-CD 4.29Å; W402-K406 HydrophobicContact CZ3-CD 3.82Å; W402-K406 WeakPolarHBondContact O-CA 2.26Å; W402-K406 PolarHBondContact O-N 2.87Å; H403-K406 PolarHBondContact O-NZ 3.33Å; K406-Y484 PolarHBondContact O-OH 3.49Å; K406-V493 HydrophobicContact CB-CG2 4.07Å; K406-D494 WeakPolarHBondContact O-CB 2.26Å
407	R	95.7	Very high	95.6	Very high	88 Å²	88	54.8 Å²	54.8	33%	0.332	26%	0.263	S	S	.	.			trans	-120.8	135.4	-174.2	-66.7	174.9	85.4	165	8.7	113.6	S398 T405 V493 D494 D497	S398-R407 PolarHBondContact OG-O 2.79Å; T405-R407 WeakPolarHBondContact O-CG 3.21Å; T405-R407 PolarHBondContact O-N 2.88Å; T405-R407 PolarHBondContact OG1-N 3.33Å; R407-V493 HydrophobicContact CG-CG2 3.83Å; R407-V493 PolarHBondContact NE-O 3.09Å; R407-D494 WeakPolarHBondContact CA-OD2 2.26Å; R407-D494 HydrophobicContact CG-CB 3.98Å; R407-D494 IonicContact NE-OD1 3.03Å; R407-D497 IonicContact CZ-OD2 2.64Å; R407-D497 IonicContact NE-OD2 3.19Å; R407-D497 IonicContact NH2-OD1 3.69Å; R407-D497 IonicContact NH2-OD2 2.9Å; R407-D497 PolarHBondContact NH2-OD2 3.32Å
408	I	97.2	Very high	95.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-145.6	-31	170.9	-167	60.2	0	0	0	111	A337 L340 V341 L395 N410 V411 V412 Y484 D494	A337-I408 HydrophobicContact CB-CB 4.39Å; A337-I408 HydrophobicContact CB-CG1 4.48Å; A337-I408 HydrophobicContact CB-CG2 3.94Å; L340-I408 HydrophobicContact CD2-CG1 4.12Å; V341-I408 HydrophobicContact CG2-CD1 4.2Å; L395-I408 HydrophobicContact CD2-CD1 3.58Å; L395-I408 HydrophobicContact CD2-CG1 3.97Å; I408-N410 VanDerWaalsContact C-N 3.29Å; I408-N410 VanDerWaalsContact C-OD1 3.22Å; I408-N410 WeakPolarHBondContact CA-OD1 3.42Å; I408-N410 PolarHBondContact N-OD1 3.48Å; I408-N410 PolarHBondContact O-N 3.18Å; I408-N410 PolarHBondContact O-OD1 2.74Å; I408-V411 WeakPolarHBondContact O-CB 3.29Å; I408-V411 PolarHBondContact O-N 3.03Å; I408-V411 VanDerWaalsContact O-N 3.14Å; I408-V412 PolarHBondContact O-N 3.33Å; I408-Y484 HydrophobicContact CG2-CD1 4.18Å; I408-Y484 HydrophobicContact CG2-CD2 4.44Å; I408-Y484 HydrophobicContact CG2-CE1 3.59Å; I408-Y484 HydrophobicContact CG2-CE2 3.91Å; I408-Y484 VanDerWaalsContact CG2-CZ 3.43Å; I408-D494 PolarHBondContact N-OD2 3.08Å
409	A	97.2	Very high	95.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-72.9	-23	-177.1	0	0	0	0	0	112.9	V411 V412 R413 Y484 D494 D497 T498 A501	A409-V411 PolarHBondContact O-N 2.95Å; A409-V412 PolarHBondContact O-N 3.4Å; A409-V412 VanDerWaalsContact O-N 3.09Å; A409-R413 WeakPolarHBondContact O-CB 3.43Å; A409-R413 PolarHBondContact O-N 3.4Å; A409-Y484 HydrophobicContact CB-CE1 4.3Å; A409-D494 PolarHBondContact N-OD1 2.85Å; A409-D494 PolarHBondContact N-OD2 3.33Å; A409-D497 HydrophobicContact CB-CB 4.25Å; A409-T498 VanDerWaalsContact CB-CA 3.47Å; A409-T498 HydrophobicContact CB-CG2 4.38Å; A409-T498 WeakPolarHBondContact CB-OG1 3.4Å; A409-A501 HydrophobicContact CB-CB 4.49Å
410	N	95.8	Very high	95	Very high	48 Å²	48	57 Å²	57	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-49.1	-40.2	165.7	68	-46.7	0	0	0	112.7	I408 K414 D494 D497	I408-N410 VanDerWaalsContact C-N 3.29Å; I408-N410 VanDerWaalsContact C-OD1 3.22Å; I408-N410 WeakPolarHBondContact CA-OD1 3.42Å; I408-N410 PolarHBondContact N-OD1 3.48Å; I408-N410 PolarHBondContact O-N 3.18Å; I408-N410 PolarHBondContact O-OD1 2.74Å; N410-K414 WeakPolarHBondContact O-CB 3.49Å; N410-K414 PolarHBondContact O-N 2.85Å; N410-D494 PolarHBondContact N-OD1 3.18Å; N410-D497 WeakPolarHBondContact CA-OD2 3.48Å; N410-D497 WeakPolarHBondContact CB-OD2 3.14Å
411	V	97.5	Very high	94.7	Very high	8 Å²	8	52 Å²	52	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-71.3	-47.4	175.9	-179.4	0	0	0	0	110.4	F391 Q394 L395 I408 A409 R413 K414 Q415	F391-V411 HydrophobicContact CD2-CG1 4.04Å; F391-V411 HydrophobicContact CE2-CG1 4.08Å; Q394-V411 HydrophobicContact CB-CG1 3.49Å; Q394-V411 VanDerWaalsContact CB-CG1 3.49Å; Q394-V411 HydrophobicContact CB-CG2 4.27Å; L395-V411 HydrophobicContact CD2-CB 4.17Å; L395-V411 HydrophobicContact CD2-CG1 3.97Å; L395-V411 HydrophobicContact CG-CG1 4.05Å; I408-V411 WeakPolarHBondContact O-CB 3.29Å; I408-V411 PolarHBondContact O-N 3.03Å; I408-V411 VanDerWaalsContact O-N 3.14Å; A409-V411 PolarHBondContact O-N 2.95Å; V411-R413 PolarHBondContact O-N 2.83Å; V411-K414 WeakPolarHBondContact O-CB 3.48Å; V411-K414 PolarHBondContact O-N 3.42Å; V411-Q415 HydrophobicContact CG1-CG 4.42Å; V411-Q415 WeakPolarHBondContact O-CG 3.45Å; V411-Q415 PolarHBondContact O-N 3.46Å; V411-Q415 VanDerWaalsContact O-N 3.09Å
412	V	96.6	Very high	94.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-45.2	-178.6	-169.7	0	0	0	0	111	L340 F391 L395 I408 A409 K414 Q415 A416 L481 A501 V505	L340-V412 HydrophobicContact CD2-CG2 3.85Å; F391-V412 HydrophobicContact CE2-CB 4.49Å; F391-V412 HydrophobicContact CE2-CG2 4.15Å; F391-V412 HydrophobicContact CZ-CB 4.47Å; F391-V412 HydrophobicContact CZ-CG1 4.19Å; F391-V412 HydrophobicContact CZ-CG2 4.12Å; L395-V412 HydrophobicContact CD2-CG2 4.23Å; I408-V412 PolarHBondContact O-N 3.33Å; A409-V412 PolarHBondContact O-N 3.4Å; A409-V412 VanDerWaalsContact O-N 3.09Å; V412-K414 VanDerWaalsContact C-N 3.29Å; V412-K414 PolarHBondContact O-N 2.82Å; V412-Q415 CarbonylContact O-C 3.59Å; V412-Q415 PolarHBondContact O-N 2.78Å; V412-Q415 VanDerWaalsContact O-N 3.09Å; V412-A416 WeakPolarHBondContact O-CB 3.34Å; V412-A416 PolarHBondContact O-N 3.01Å; V412-L481 HydrophobicContact CB-CD2 4.23Å; V412-L481 HydrophobicContact CG1-CD1 3.95Å; V412-L481 HydrophobicContact CG1-CD2 4.13Å; V412-L481 HydrophobicContact CG1-CG 4.41Å; V412-L481 HydrophobicContact CG2-CD2 4.23Å; V412-A501 HydrophobicContact CB-CB 4.1Å; V412-A501 HydrophobicContact CG1-CB 4.19Å; V412-V505 HydrophobicContact CG1-CG2 4.43Å
413	R	96.8	Very high	94.1	Very high	84 Å²	84	49.8 Å²	49.8	32%	0.317	24%	0.242	S	C	.	.	H	α-helix	trans	-54.7	-43.5	173.7	-176.4	-176.7	62.2	-158.2	-21	112.4	A409 V411 Q415 P417 D497 V500 A501 L504	A409-R413 WeakPolarHBondContact O-CB 3.43Å; A409-R413 PolarHBondContact O-N 3.4Å; V411-R413 PolarHBondContact O-N 2.83Å; R413-Q415 VanDerWaalsContact C-N 3.29Å; R413-Q415 PolarHBondContact O-N 3.47Å; R413-P417 WeakPolarHBondContact O-CD 3.3Å; R413-D497 VanDerWaalsContact CZ-CG 3.47Å; R413-D497 IonicContact CZ-OD1 2.67Å; R413-D497 IonicContact CZ-OD2 3.62Å; R413-D497 IonicContact NH1-OD1 3.22Å; R413-D497 PolarHBondContact NH1-OD1 2.83Å; R413-D497 IonicContact NH2-OD1 2.9Å; R413-D497 PolarHBondContact NH2-OD1 2.82Å; R413-D497 IonicContact NH2-OD2 2.71Å; R413-D497 PolarHBondContact NH2-OD2 2.96Å; R413-V500 HydrophobicContact CG-CB 4.3Å; R413-V500 HydrophobicContact CG-CG1 3.92Å; R413-A501 HydrophobicContact CB-CB 4.06Å; R413-L504 HydrophobicContact CG-CD1 3.87Å
414	K	96.7	Very high	93.9	Very high	129 Å²	129	49.5 Å²	49.5	56%	0.561	24%	0.241	S	C	*	.	H	α-helix	trans	-66	-30.9	179.8	-176.1	-174.8	172.7	-168.3	0	112.5	N410 V411 V412	N410-K414 WeakPolarHBondContact O-CB 3.49Å; N410-K414 PolarHBondContact O-N 2.85Å; V411-K414 WeakPolarHBondContact O-CB 3.48Å; V411-K414 PolarHBondContact O-N 3.42Å; V412-K414 VanDerWaalsContact C-N 3.29Å; V412-K414 PolarHBondContact O-N 2.82Å
415	Q	96.1	Very high	93.7	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-103.7	-19.7	-174.1	-58.4	-53.7	-32.1	0	0	114.1	F386 F391 V411 V412 R413 P417 F418	F386-Q415 HydrophobicContact CE2-CB 4.45Å; F386-Q415 HydrophobicContact CZ-CB 4.06Å; F391-Q415 HydrophobicContact CD2-CB 3.7Å; F391-Q415 HydrophobicContact CD2-CG 3.71Å; F391-Q415 HydrophobicContact CE2-CB 4Å; F391-Q415 HydrophobicContact CE2-CG 4.31Å; F391-Q415 HydrophobicContact CG-CB 4.18Å; F391-Q415 HydrophobicContact CG-CG 4.36Å; V411-Q415 HydrophobicContact CG1-CG 4.42Å; V411-Q415 WeakPolarHBondContact O-CG 3.45Å; V411-Q415 PolarHBondContact O-N 3.46Å; V411-Q415 VanDerWaalsContact O-N 3.09Å; V412-Q415 CarbonylContact O-C 3.59Å; V412-Q415 PolarHBondContact O-N 2.78Å; V412-Q415 VanDerWaalsContact O-N 3.09Å; R413-Q415 VanDerWaalsContact C-N 3.29Å; R413-Q415 PolarHBondContact O-N 3.47Å; Q415-P417 VanDerWaalsContact C-CD 3.43Å; Q415-F418 WeakPolarHBondContact O-CB 3.32Å; Q415-F418 PolarHBondContact O-N 2.91Å; Q415-F418 VanDerWaalsContact O-N 3.11Å
416	A	93.7	Very high	93.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-56	-37.4	-178.3	0	0	0	0	0	115.1	V412 F418 L419 L504 V505	V412-A416 WeakPolarHBondContact O-CB 3.34Å; V412-A416 PolarHBondContact O-N 3.01Å; A416-F418 PolarHBondContact O-N 3.39Å; A416-L419 HydrophobicContact CB-CD1 4.29Å; A416-L419 VanDerWaalsContact O-CB 3.25Å; A416-L419 WeakPolarHBondContact O-CB 2.24Å; A416-L419 WeakPolarHBondContact O-CG 3.19Å; A416-L419 PolarHBondContact O-N 3.11Å; A416-L504 HydrophobicContact CB-CB 3.59Å; A416-L504 HydrophobicContact CB-CD1 4.43Å; A416-V505 HydrophobicContact CB-CG2 4.06Å
417	P	91.7	Very high	92.8	Very high	60 Å²	60	40.4 Å²	40.4	39%	0.39	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-57.7	-31.3	176.5	-27.1	36.3	0	0	0	113.9	R413 Q415 L419 K420 L504	R413-P417 WeakPolarHBondContact O-CD 3.3Å; Q415-P417 VanDerWaalsContact C-CD 3.43Å; P417-L419 VanDerWaalsContact C-N 3.31Å; P417-L419 PolarHBondContact O-N 2.98Å; P417-K420 PolarHBondContact O-N 3.37Å; P417-L504 HydrophobicContact CG-CD1 4.3Å; P417-L504 HydrophobicContact CG-CD2 4.44Å
418	F	94	Very high	92.4	Very high	111 Å²	111	37.2 Å²	37.2	49%	0.487	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-74.3	-19.8	178.3	-60.8	-80.2	0	0	0	112.9	F386 Q415 A416 K420 M421	F386-F418 HydrophobicContact CD2-CB 4.1Å; F386-F418 HydrophobicContact CD2-CG 4.43Å; F386-F418 HydrophobicContact CE1-CB 4.32Å; F386-F418 HydrophobicContact CE2-CB 3.47Å; F386-F418 VanDerWaalsContact CE2-CB 3.47Å; F386-F418 AromaticContact CE2-CD2 3.96Å; F386-F418 HydrophobicContact CE2-CD2 3.96Å; F386-F418 AromaticContact CE2-CG 3.83Å; F386-F418 HydrophobicContact CE2-CG 3.83Å; F386-F418 HydrophobicContact CZ-CB 3.6Å; F386-F418 HydrophobicContact CZ-CG 4.38Å; Q415-F418 WeakPolarHBondContact O-CB 3.32Å; Q415-F418 PolarHBondContact O-N 2.91Å; Q415-F418 VanDerWaalsContact O-N 3.11Å; A416-F418 PolarHBondContact O-N 3.39Å; F418-K420 PolarHBondContact O-N 3.37Å; F418-M421 HydrophobicContact CB-CE 4Å; F418-M421 WeakPolarHBondContact O-CB 3.47Å; F418-M421 WeakPolarHBondContact O-CE 3.27Å; F418-M421 VanDerWaalsContact O-CG 3.32Å; F418-M421 WeakPolarHBondContact O-CG 3.35Å; F418-M421 PolarHBondContact O-N 3.3Å
419	L	92.8	Very high	91.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-61.8	-15.4	175.4	-58.5	175	0	0	0	112.6	F386 A416 P417 M421 Y422 Y477 V505 A508	F386-L419 HydrophobicContact CE1-CD2 4.1Å; A416-L419 HydrophobicContact CB-CD1 4.29Å; A416-L419 VanDerWaalsContact O-CB 3.25Å; A416-L419 WeakPolarHBondContact O-CB 2.24Å; A416-L419 WeakPolarHBondContact O-CG 3.19Å; A416-L419 PolarHBondContact O-N 3.11Å; P417-L419 VanDerWaalsContact C-N 3.31Å; P417-L419 PolarHBondContact O-N 2.98Å; L419-M421 PolarHBondContact O-N 3.09Å; L419-M421 VanDerWaalsContact O-N 3.11Å; L419-Y422 HydrophobicContact CB-CD2 4.34Å; L419-Y422 HydrophobicContact CD2-CD2 4.21Å; L419-Y422 HydrophobicContact CD2-CE2 3.62Å; L419-Y422 WeakPolarHBondContact O-CB 3.28Å; L419-Y422 VanDerWaalsContact O-CD2 3.32Å; L419-Y422 WeakPolarHBondContact O-CD2 3.19Å; L419-Y422 PolarHBondContact O-N 2.75Å; L419-Y477 HydrophobicContact CD1-CD2 3.77Å; L419-Y477 HydrophobicContact CD1-CE2 4.11Å; L419-Y477 HydrophobicContact CD1-CG 4.37Å; L419-Y477 HydrophobicContact CD2-CD2 4.24Å; L419-Y477 HydrophobicContact CD2-CE2 3.72Å; L419-V505 HydrophobicContact CD1-CG2 3.86Å; L419-A508 HydrophobicContact CB-CB 3.85Å
420	K	89.4	Confident	91.2	Very high	82 Å²	82	44.4 Å²	44.4	36%	0.357	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-55.8	-23.7	169.1	-71.3	-179.1	179	-179.3	0	112.7	P417 F418 Y422 S423 A508 H511	P417-K420 PolarHBondContact O-N 3.37Å; F418-K420 PolarHBondContact O-N 3.37Å; K420-Y422 PolarHBondContact O-N 2.9Å; K420-S423 PolarHBondContact O-N 3.37Å; K420-S423 PolarHBondContact O-OG 3.3Å; K420-A508 HydrophobicContact CG-CB 4.02Å; K420-H511 HydrophobicContact CD-CB 4.42Å; K420-H511 HydrophobicContact CG-CB 4.17Å
421	M	90.9	Very high	90.8	Very high	49 Å²	49	49.5 Å²	49.5	24%	0.241	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-63.4	-20.5	174.8	80.3	176	73.4	0	0	114.2	N379 L383 F386 F418 L419 S423 E424	N379-M421 PolarHBondContact ND2-O 2.88Å; L383-M421 HydrophobicContact CD2-CG 3.67Å; L383-M421 HydrophobicContact CD2-SD 3.83Å; L383-M421 HydrophobicContact CG-CG 4.44Å; L383-M421 HydrophobicContact CG-SD 4.3Å; F386-M421 HydrophobicContact CB-CE 3.85Å; F386-M421 HydrophobicContact CB-SD 4.24Å; F386-M421 HydrophobicContact CD1-CE 3.96Å; F386-M421 HydrophobicContact CD1-SD 4.4Å; F386-M421 HydrophobicContact CD2-CE 4.16Å; F386-M421 HydrophobicContact CG-CE 3.71Å; F386-M421 HydrophobicContact CG-SD 4.45Å; F418-M421 HydrophobicContact CB-CE 4Å; F418-M421 WeakPolarHBondContact O-CB 3.47Å; F418-M421 WeakPolarHBondContact O-CE 3.27Å; F418-M421 VanDerWaalsContact O-CG 3.32Å; F418-M421 WeakPolarHBondContact O-CG 3.35Å; F418-M421 PolarHBondContact O-N 3.3Å; L419-M421 PolarHBondContact O-N 3.09Å; L419-M421 VanDerWaalsContact O-N 3.11Å; M421-S423 PolarHBondContact O-N 3.42Å; M421-E424 PolarHBondContact O-N 3.45Å
422	Y	90.7	Very high	90.5	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-23.9	175.4	-82.4	-103.5	0	0	0	112.6	Y347 L383 H387 L419 K420 E424 Y425 T426 P470 R473 V474 Y477	Y347-Y422 WeakPolarHBondContact CE1-OH 3.44Å; Y347-Y422 VanDerWaalsContact CZ-OH 3.31Å; Y347-Y422 VanDerWaalsContact OH-CE1 3.24Å; Y347-Y422 WeakPolarHBondContact OH-CE1 3.46Å; Y347-Y422 PolarHBondContact OH-OH 3.21Å; L383-Y422 HydrophobicContact CD2-CD1 4.18Å; L383-Y422 HydrophobicContact CD2-CD2 3.58Å; L383-Y422 HydrophobicContact CD2-CE1 4.12Å; L383-Y422 HydrophobicContact CD2-CE2 3.51Å; L383-Y422 HydrophobicContact CD2-CG 3.96Å; H387-Y422 PolarHBondContact CE1-OH 3.27Å; H387-Y422 VanDerWaalsContact CE1-OH 3.32Å; H387-Y422 AromaticContact NE2-CE2 3.37Å; H387-Y422 WeakPolarHBondContact NE2-CE2 3.36Å; H387-Y422 AromaticContact NE2-CZ 3.51Å; H387-Y422 PolarHBondContact NE2-OH 3.25Å; L419-Y422 HydrophobicContact CB-CD2 4.34Å; L419-Y422 HydrophobicContact CD2-CD2 4.21Å; L419-Y422 HydrophobicContact CD2-CE2 3.62Å; L419-Y422 WeakPolarHBondContact O-CB 3.28Å; L419-Y422 VanDerWaalsContact O-CD2 3.32Å; L419-Y422 WeakPolarHBondContact O-CD2 3.19Å; L419-Y422 PolarHBondContact O-N 2.75Å; K420-Y422 PolarHBondContact O-N 2.9Å; Y422-E424 PolarHBondContact O-N 3.05Å; Y422-Y425 PolarHBondContact O-N 3.01Å; Y422-T426 PolarHBondContact O-N 2.85Å; Y422-T426 PolarHBondContact O-OG1 3.07Å; Y422-P470 HydrophobicContact CD1-CB 4.17Å; Y422-P470 VanDerWaalsContact CD1-O 3.32Å; Y422-P470 WeakPolarHBondContact CD1-O 3.32Å; Y422-P470 HydrophobicContact CE1-CB 3.97Å; Y422-P470 WeakPolarHBondContact CE1-O 3.44Å; Y422-R473 HydrophobicContact CE1-CB 4.36Å; Y422-V474 HydrophobicContact CD1-CB 3.67Å; Y422-V474 HydrophobicContact CD1-CG1 4.05Å; Y422-V474 HydrophobicContact CD1-CG2 4.46Å; Y422-V474 HydrophobicContact CD2-CB 4.38Å; Y422-V474 HydrophobicContact CD2-CG2 4.43Å; Y422-V474 HydrophobicContact CE1-CB 3.98Å; Y422-V474 HydrophobicContact CG-CB 3.85Å; Y422-V474 HydrophobicContact CG-CG1 4.41Å; Y422-V474 HydrophobicContact CG-CG2 4.14Å; Y422-Y477 PolarHBondContact OH-OH 2.76Å
423	S	86.9	Confident	90.1	Very high	15 Å²	15	51.1 Å²	51.1	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-37.6	-179.9	64.9	0	0	0	0	112.2	K420 M421 Y425 T426 N427	K420-S423 PolarHBondContact O-N 3.37Å; K420-S423 PolarHBondContact O-OG 3.3Å; M421-S423 PolarHBondContact O-N 3.42Å; S423-Y425 VanDerWaalsContact C-N 3.34Å; S423-Y425 PolarHBondContact O-N 3.03Å; S423-T426 WeakPolarHBondContact CA-OG1 3.36Å; S423-T426 PolarHBondContact O-OG1 3.4Å; S423-N427 WeakPolarHBondContact O-CB 3.33Å; S423-N427 PolarHBondContact O-N 3.13Å; S423-N427 PolarHBondContact O-ND2 3.34Å; S423-N427 PolarHBondContact O-OD1 2.74Å
424	E	88.9	Confident	89.8	Confident	104 Å²	104	53.8 Å²	53.8	49%	0.486	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-40.2	177.3	-173.8	-173	166.9	0	0	111.9	N379 M421 Y422	N379-E424 HydrophobicContact CB-CG 4.48Å; N379-E424 WeakPolarHBondContact CB-OE2 3.29Å; N379-E424 WeakPolarHBondContact ND2-CB 3.22Å; N379-E424 PolarHBondContact ND2-OE2 2.82Å; M421-E424 PolarHBondContact O-N 3.45Å; Y422-E424 PolarHBondContact O-N 3.05Å
425	Y	90.5	Very high	89.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-71.8	-48.6	176.3	-165.6	-94.2	0	0	0	112.2	A378 V380 L383 Y422 S423 N427 N428 Y429 L467 P470 V471	A378-Y425 HydrophobicContact CB-CD2 4.04Å; V380-Y425 HydrophobicContact CG2-CD2 3.5Å; V380-Y425 VanDerWaalsContact CG2-CD2 3.5Å; V380-Y425 HydrophobicContact CG2-CE2 3.21Å; V380-Y425 HydrophobicContact CG2-CG 4.49Å; L383-Y425 HydrophobicContact CD1-CG 4.48Å; Y422-Y425 PolarHBondContact O-N 3.01Å; S423-Y425 VanDerWaalsContact C-N 3.34Å; S423-Y425 PolarHBondContact O-N 3.03Å; Y425-N427 VanDerWaalsContact C-N 3.29Å; Y425-N427 PolarHBondContact O-N 3.21Å; Y425-N428 CarbonylContact O-C 3.18Å; Y425-N428 PolarHBondContact O-N 3.11Å; Y425-Y429 HydrophobicContact CE1-CD2 4.06Å; Y425-Y429 PolarHBondContact O-N 3.04Å; Y425-L467 WeakPolarHBondContact CE1-O 3.38Å; Y425-L467 PolarHBondContact OH-O 3.03Å; Y425-P470 HydrophobicContact CD1-CB 3.68Å; Y425-P470 HydrophobicContact CD1-CG 3.98Å; Y425-P470 HydrophobicContact CE1-CB 3.97Å; Y425-P470 HydrophobicContact CE1-CG 3.79Å; Y425-P470 HydrophobicContact CG-CB 4.25Å; Y425-V471 HydrophobicContact CD1-CG2 4.14Å; Y425-V471 HydrophobicContact CE1-CG2 4.2Å
426	T	86.5	Confident	89.6	Confident	23 Å²	23	48.1 Å²	48.1	14%	0.141	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-39.6	-178.9	57.6	0	0	0	0	111.5	Y422 S423 N428 Y429 V471	Y422-T426 PolarHBondContact O-N 2.85Å; Y422-T426 PolarHBondContact O-OG1 3.07Å; S423-T426 WeakPolarHBondContact CA-OG1 3.36Å; S423-T426 PolarHBondContact O-OG1 3.4Å; T426-N428 PolarHBondContact O-N 3.33Å; T426-Y429 PolarHBondContact O-N 3.46Å; T426-V471 HydrophobicContact CG2-CG1 4.29Å; T426-V471 HydrophobicContact CG2-CG2 4.27Å
427	N	83.1	Confident	89.5	Confident	33 Å²	33	52.1 Å²	52.1	18%	0.176	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.1	175.5	-71.3	-15.6	0	0	0	114	S423 Y425 M515 M516 L519	S423-N427 WeakPolarHBondContact O-CB 3.33Å; S423-N427 PolarHBondContact O-N 3.13Å; S423-N427 PolarHBondContact O-ND2 3.34Å; S423-N427 PolarHBondContact O-OD1 2.74Å; Y425-N427 VanDerWaalsContact C-N 3.29Å; Y425-N427 PolarHBondContact O-N 3.21Å; N427-M515 WeakPolarHBondContact ND2-CB 3.37Å; N427-M516 WeakPolarHBondContact OD1-CG 3.29Å; N427-M516 PolarHBondContact OD1-N 2.96Å; N427-L519 HydrophobicContact CB-CD1 3.61Å; N427-L519 VanDerWaalsContact CG-CD1 3.5Å; N427-L519 VanDerWaalsContact ND2-CD1 3.34Å; N427-L519 WeakPolarHBondContact ND2-CD1 3.43Å
428	N	87.6	Confident	89.6	Confident	22 Å²	22	54.8 Å²	54.8	12%	0.118	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-17.3	-176.8	-171.8	65.2	0	0	0	113.7	R375 A378 Y425 T426 D430 R431 A432	R375-N428 PolarHBondContact O-ND2 3.3Å; A378-N428 HydrophobicContact CB-CB 4.27Å; Y425-N428 CarbonylContact O-C 3.18Å; Y425-N428 PolarHBondContact O-N 3.11Å; T426-N428 PolarHBondContact O-N 3.33Å; N428-D430 PolarHBondContact O-N 3.44Å; N428-R431 WeakPolarHBondContact O-CA 3.49Å; N428-R431 WeakPolarHBondContact O-CB 3.12Å; N428-R431 PolarHBondContact O-N 2.65Å; N428-A432 PolarHBondContact O-N 3.45Å
429	Y	87.1	Confident	89.7	Confident	47 Å²	47	49.7 Å²	49.7	18%	0.184	23%	0.233	C	C	.	.	H	α-helix	trans	-49.8	-46.3	-173	170.8	-98.4	0	0	0	114.3	Y425 T426 R431 A432 T433 L467 I468 V471	Y425-Y429 HydrophobicContact CE1-CD2 4.06Å; Y425-Y429 PolarHBondContact O-N 3.04Å; T426-Y429 PolarHBondContact O-N 3.46Å; Y429-R431 VanDerWaalsContact C-N 3.27Å; Y429-R431 PolarHBondContact O-N 2.93Å; Y429-A432 PolarHBondContact O-N 3.41Å; Y429-T433 VanDerWaalsContact CE2-OG1 3.28Å; Y429-T433 WeakPolarHBondContact CE2-OG1 3.14Å; Y429-T433 VanDerWaalsContact CZ-OG1 3.27Å; Y429-T433 WeakPolarHBondContact O-CB 3.34Å; Y429-T433 PolarHBondContact O-N 3.44Å; Y429-T433 PolarHBondContact O-OG1 2.92Å; Y429-L467 WeakPolarHBondContact CD2-O 3.37Å; Y429-L467 HydrophobicContact CE2-CB 4.05Å; Y429-L467 WeakPolarHBondContact CE2-O 3.34Å; Y429-I468 HydrophobicContact CD1-CD1 4.19Å; Y429-I468 HydrophobicContact CD2-CD1 4.45Å; Y429-I468 HydrophobicContact CE1-CD1 3.58Å; Y429-I468 HydrophobicContact CE2-CB 3.99Å; Y429-I468 HydrophobicContact CE2-CD1 3.87Å; Y429-I468 VanDerWaalsContact CZ-CD1 3.41Å; Y429-V471 HydrophobicContact CD1-CG2 4.39Å; Y429-V471 HydrophobicContact CD2-CG2 4Å; Y429-V471 HydrophobicContact CG-CG2 3.82Å
430	D	81.8	Confident	89.7	Confident	104 Å²	104	53 Å²	53	56%	0.556	25%	0.247	S	C	*	.	H	α-helix	trans	-63.5	-33.2	178.4	-79.9	-5.4	0	0	0	113	N428 K434	N428-D430 PolarHBondContact O-N 3.44Å; D430-K434 WeakPolarHBondContact O-CD 3.15Å; D430-K434 VanDerWaalsContact O-CG 3.27Å; D430-K434 WeakPolarHBondContact O-CG 3.27Å; D430-K434 PolarHBondContact O-N 3.1Å
431	R	88.6	Confident	89.9	Confident	154 Å²	154	57.2 Å²	57.2	58%	0.581	27%	0.266	S	S	*	.	H	α-helix	trans	-76.7	-43.9	178.3	-56	175.4	-177.1	162.7	0.1	110.1	N428 Y429 T433 K434 L435	N428-R431 WeakPolarHBondContact O-CA 3.49Å; N428-R431 WeakPolarHBondContact O-CB 3.12Å; N428-R431 PolarHBondContact O-N 2.65Å; Y429-R431 VanDerWaalsContact C-N 3.27Å; Y429-R431 PolarHBondContact O-N 2.93Å; R431-T433 PolarHBondContact O-N 3.35Å; R431-K434 PolarHBondContact O-N 3.33Å; R431-L435 VanDerWaalsContact O-CB 3.28Å; R431-L435 WeakPolarHBondContact O-CB 3.45Å; R431-L435 PolarHBondContact O-N 2.98Å
432	A	90.8	Very high	90	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-45	174.3	0	0	0	0	0	111.8	L376 N428 Y429 L435 F436	L376-A432 WeakPolarHBondContact CD1-O 3.03Å; L376-A432 WeakPolarHBondContact O-CB 3.28Å; N428-A432 PolarHBondContact O-N 3.45Å; Y429-A432 PolarHBondContact O-N 3.41Å; A432-L435 PolarHBondContact O-N 3.4Å; A432-F436 WeakPolarHBondContact O-CB 3.38Å; A432-F436 PolarHBondContact O-N 3.2Å
433	T	87.1	Confident	90.2	Very high	43 Å²	43	68 Å²	68	26%	0.264	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-43.7	-179.4	-56.3	0	0	0	0	111.9	Y429 R431 F436 E437	Y429-T433 VanDerWaalsContact CE2-OG1 3.28Å; Y429-T433 WeakPolarHBondContact CE2-OG1 3.14Å; Y429-T433 VanDerWaalsContact CZ-OG1 3.27Å; Y429-T433 WeakPolarHBondContact O-CB 3.34Å; Y429-T433 PolarHBondContact O-N 3.44Å; Y429-T433 PolarHBondContact O-OG1 2.92Å; R431-T433 PolarHBondContact O-N 3.35Å; T433-F436 PolarHBondContact O-N 2.86Å; T433-E437 PolarHBondContact O-N 2.97Å
434	K	90.8	Very high	90.6	Very high	140 Å²	140	74.9 Å²	74.9	61%	0.609	34%	0.339	S	S	*	.	H	α-helix	trans	-62.1	-45.8	173.5	-71.3	166.6	-173.5	167.9	0	111.4	D430 R431 F436 E437 E438	D430-K434 WeakPolarHBondContact O-CD 3.15Å; D430-K434 VanDerWaalsContact O-CG 3.27Å; D430-K434 WeakPolarHBondContact O-CG 3.27Å; D430-K434 PolarHBondContact O-N 3.1Å; R431-K434 PolarHBondContact O-N 3.33Å; K434-F436 VanDerWaalsContact C-N 3.34Å; K434-F436 PolarHBondContact O-N 3.14Å; K434-E437 PolarHBondContact O-N 3.12Å; K434-E438 WeakPolarHBondContact O-CG 3.46Å; K434-E438 PolarHBondContact O-N 3.07Å
435	L	93.7	Very high	90.9	Very high	20 Å²	20	70.1 Å²	70.1	11%	0.105	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-37	176.9	179.8	60.7	0	0	0	112.3	R375 L376 R431 A432 E438 L439	R375-L435 HydrophobicContact CB-CD2 3.7Å; L376-L435 HydrophobicContact CB-CD2 4.18Å; R431-L435 VanDerWaalsContact O-CB 3.28Å; R431-L435 WeakPolarHBondContact O-CB 3.45Å; R431-L435 PolarHBondContact O-N 2.98Å; A432-L435 PolarHBondContact O-N 3.4Å; L435-E438 PolarHBondContact O-N 3.26Å; L435-L439 HydrophobicContact CD1-CD1 3.93Å; L435-L439 HydrophobicContact CD1-CG 4Å; L435-L439 HydrophobicContact CG-CD1 3.87Å; L435-L439 HydrophobicContact CG-CG 4.36Å; L435-L439 WeakPolarHBondContact O-CB 3.19Å; L435-L439 WeakPolarHBondContact O-CG 3.18Å; L435-L439 PolarHBondContact O-N 2.84Å
436	F	94.9	Very high	91.2	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.009	32%	0.323	C	S	.	.	H	α-helix	trans	-60.9	-52.3	175.9	-175.8	-98.7	0	0	0	111	F358 L376 A432 T433 K434 E438 L439 K440 F445 V449 L463 L467	F358-F436 HydrophobicContact CE1-CD2 4.43Å; F358-F436 HydrophobicContact CE1-CE2 4.15Å; F358-F436 HydrophobicContact CZ-CD2 4.36Å; F358-F436 AromaticContact CZ-CE2 3.94Å; F358-F436 HydrophobicContact CZ-CE2 3.94Å; L376-F436 HydrophobicContact CD1-CB 3.78Å; L376-F436 HydrophobicContact CD1-CD2 4.14Å; L376-F436 HydrophobicContact CD1-CG 4.47Å; A432-F436 WeakPolarHBondContact O-CB 3.38Å; A432-F436 PolarHBondContact O-N 3.2Å; T433-F436 PolarHBondContact O-N 2.86Å; K434-F436 VanDerWaalsContact C-N 3.34Å; K434-F436 PolarHBondContact O-N 3.14Å; F436-E438 VanDerWaalsContact C-N 3.32Å; F436-E438 PolarHBondContact O-N 3.26Å; F436-L439 PolarHBondContact O-N 3.28Å; F436-L439 VanDerWaalsContact O-N 3.14Å; F436-K440 HydrophobicContact CE1-CD 4.11Å; F436-K440 WeakPolarHBondContact O-CB 3.37Å; F436-K440 PolarHBondContact O-N 2.89Å; F436-F445 HydrophobicContact CD2-CE1 4.12Å; F436-F445 AromaticContact CD2-CZ 3.98Å; F436-F445 HydrophobicContact CD2-CZ 3.98Å; F436-F445 HydrophobicContact CE2-CE1 4.1Å; F436-F445 HydrophobicContact CE2-CZ 4.17Å; F436-V449 HydrophobicContact CE2-CG2 4.04Å; F436-V449 HydrophobicContact CZ-CG1 4.07Å; F436-V449 HydrophobicContact CZ-CG2 4.08Å; F436-L463 HydrophobicContact CZ-CB 4.22Å; F436-L467 HydrophobicContact CB-CD1 4.04Å; F436-L467 HydrophobicContact CD1-CD1 4.42Å; F436-L467 HydrophobicContact CD2-CD1 4.14Å; F436-L467 HydrophobicContact CG-CD1 3.95Å
437	E	92.6	Very high	91.6	Very high	84 Å²	84	72.3 Å²	72.3	39%	0.393	33%	0.33	S	S	.	.	H	α-helix	trans	-71.1	-23.1	180	-67.1	-60.7	135.3	0	0	113.3	T433 K434 K440 K441	T433-E437 PolarHBondContact O-N 2.97Å; K434-E437 PolarHBondContact O-N 3.12Å; E437-K440 WeakPolarHBondContact OE1-CD 3.23Å; E437-K440 IonicContact OE1-NZ 2.76Å; E437-K440 PolarHBondContact OE1-NZ 2.67Å; E437-K440 WeakPolarHBondContact OE2-CD 3.25Å; E437-K440 IonicContact OE2-NZ 3.14Å; E437-K440 PolarHBondContact OE2-NZ 3.47Å; E437-K441 WeakPolarHBondContact O-CE 3.46Å
438	E	94.1	Very high	92.2	Very high	115 Å²	115	71 Å²	71	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-67.7	-46.6	164.8	-77.7	178.1	-164.3	0	0	112.4	K434 L435 F436 K441	K434-E438 WeakPolarHBondContact O-CG 3.46Å; K434-E438 PolarHBondContact O-N 3.07Å; L435-E438 PolarHBondContact O-N 3.26Å; F436-E438 VanDerWaalsContact C-N 3.32Å; F436-E438 PolarHBondContact O-N 3.26Å; E438-K441 WeakPolarHBondContact O-CB 3.38Å; E438-K441 PolarHBondContact O-N 2.88Å
439	L	94.8	Very high	92.6	Very high	4 Å²	4	70 Å²	70	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-70.5	-32	-178.7	-70.6	173	0	0	0	112.5	I368 L376 L435 F436 K441 K442 F445	I368-L439 HydrophobicContact CD1-CD1 3.98Å; I368-L439 HydrophobicContact CG2-CD1 3.89Å; I368-L439 HydrophobicContact CG2-CD2 3.52Å; I368-L439 HydrophobicContact CG2-CG 4.34Å; L376-L439 HydrophobicContact CD2-CD1 4.31Å; L435-L439 HydrophobicContact CD1-CD1 3.93Å; L435-L439 HydrophobicContact CD1-CG 4Å; L435-L439 HydrophobicContact CG-CD1 3.87Å; L435-L439 HydrophobicContact CG-CG 4.36Å; L435-L439 WeakPolarHBondContact O-CB 3.19Å; L435-L439 WeakPolarHBondContact O-CG 3.18Å; L435-L439 PolarHBondContact O-N 2.84Å; F436-L439 PolarHBondContact O-N 3.28Å; F436-L439 VanDerWaalsContact O-N 3.14Å; L439-K441 PolarHBondContact O-N 2.94Å; L439-K441 VanDerWaalsContact O-N 3.1Å; L439-K442 HydrophobicContact CD2-CD 4.18Å; L439-K442 VanDerWaalsContact O-CB 3.29Å; L439-K442 WeakPolarHBondContact O-CB 3.5Å; L439-K442 PolarHBondContact O-N 3.09Å; L439-F445 VanDerWaalsContact C-CD1 3.4Å; L439-F445 HydrophobicContact CB-CD1 3.74Å; L439-F445 HydrophobicContact CB-CD2 3.97Å; L439-F445 HydrophobicContact CB-CE1 3.56Å; L439-F445 HydrophobicContact CB-CE2 3.8Å; L439-F445 HydrophobicContact CB-CG 3.93Å; L439-F445 HydrophobicContact CB-CZ 3.59Å; L439-F445 HydrophobicContact CD1-CD2 4.39Å; L439-F445 HydrophobicContact CD1-CE2 3.77Å; L439-F445 HydrophobicContact CD1-CZ 3.98Å; L439-F445 HydrophobicContact CG-CE2 4.39Å; L439-F445 HydrophobicContact CG-CZ 4.46Å; L439-F445 WeakPolarHBondContact O-CD1 3.4Å
440	K	92.9	Very high	92.9	Very high	71 Å²	71	72.8 Å²	72.8	31%	0.309	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.3	173.9	-156.4	-177.2	-165.6	178.7	0	113.8	F436 E437 K442 A446	F436-K440 HydrophobicContact CE1-CD 4.11Å; F436-K440 WeakPolarHBondContact O-CB 3.37Å; F436-K440 PolarHBondContact O-N 2.89Å; E437-K440 WeakPolarHBondContact OE1-CD 3.23Å; E437-K440 IonicContact OE1-NZ 2.76Å; E437-K440 PolarHBondContact OE1-NZ 2.67Å; E437-K440 WeakPolarHBondContact OE2-CD 3.25Å; E437-K440 IonicContact OE2-NZ 3.14Å; E437-K440 PolarHBondContact OE2-NZ 3.47Å; K440-K442 VanDerWaalsContact C-N 3.3Å; K440-A446 WeakPolarHBondContact O-CB 3.27Å
441	K	93.4	Very high	93.6	Very high	170 Å²	170	72.2 Å²	72.2	74%	0.739	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.8	171	-60.4	165.4	-171.3	171.1	0	112.7	E437 E438 L439	E437-K441 WeakPolarHBondContact O-CE 3.46Å; E438-K441 WeakPolarHBondContact O-CB 3.38Å; E438-K441 PolarHBondContact O-N 2.88Å; L439-K441 PolarHBondContact O-N 2.94Å; L439-K441 VanDerWaalsContact O-N 3.1Å
442	K	94.3	Very high	93.8	Very high	112 Å²	112	64.9 Å²	64.9	49%	0.487	30%	0.297	S	S	.	.	S	Bend	trans	-89.7	120.1	177.5	-59.9	-177.5	173.9	-171.3	0	110.4	L439 K440 K444 F445 A446	L439-K442 HydrophobicContact CD2-CD 4.18Å; L439-K442 VanDerWaalsContact O-CB 3.29Å; L439-K442 WeakPolarHBondContact O-CB 3.5Å; L439-K442 PolarHBondContact O-N 3.09Å; K440-K442 VanDerWaalsContact C-N 3.3Å; K442-K444 PolarHBondContact O-N 3.25Å; K442-F445 HydrophobicContact CB-CB 4.34Å; K442-F445 PolarHBondContact O-N 2.85Å; K442-F445 VanDerWaalsContact O-N 3.07Å; K442-A446 PolarHBondContact O-N 2.94Å
443	K	94.5	Very high	94	Very high	166 Å²	166	67.3 Å²	67.3	72%	0.722	31%	0.308	S	S	*	.	H	α-helix	trans	-44.4	-58.1	-176.3	-179.4	172.5	178.8	-176.6	0	114.1	F445 A446 D447	K443-F445 VanDerWaalsContact C-N 3.31Å; K443-F445 PolarHBondContact O-N 3.18Å; K443-A446 WeakPolarHBondContact O-CB 3.41Å; K443-A446 PolarHBondContact O-N 3.09Å; K443-A446 VanDerWaalsContact O-N 3.12Å; K443-D447 WeakPolarHBondContact CE-OD2 3.48Å; K443-D447 WeakPolarHBondContact CG-OD2 3.26Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 VanDerWaalsContact O-CG 3.23Å; K443-D447 PolarHBondContact O-N 2.93Å
444	K	94.3	Very high	94.3	Very high	159 Å²	159	73.3 Å²	73.3	69%	0.691	33%	0.331	S	S	*	.	H	α-helix	trans	-55.8	-41.8	-178	-67.2	-168.1	175.5	-170.2	0	113.4	L367 K442 D447 V448	L367-K444 HydrophobicContact CD2-CB 3.72Å; L367-K444 HydrophobicContact CD2-CD 3.98Å; K442-K444 PolarHBondContact O-N 3.25Å; K444-D447 PolarHBondContact O-N 2.85Å; K444-V448 PolarHBondContact O-N 3.24Å
445	F	96.4	Very high	94.4	Very high	4 Å²	4	70 Å²	70	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-69.3	-43.5	178.4	-177.8	-83.4	0	0	0	110.9	F358 L362 I368 L376 F436 L439 K442 K443 D447 V448 V449	F358-F445 HydrophobicContact CZ-CE2 4.16Å; F358-F445 AromaticContact CZ-CZ 3.87Å; F358-F445 HydrophobicContact CZ-CZ 3.87Å; L362-F445 HydrophobicContact CD2-CD2 3.75Å; L362-F445 HydrophobicContact CD2-CE2 3.55Å; I368-F445 HydrophobicContact CD1-CE2 4.43Å; L376-F445 HydrophobicContact CD2-CE2 4.12Å; L376-F445 HydrophobicContact CD2-CZ 4.04Å; F436-F445 HydrophobicContact CD2-CE1 4.12Å; F436-F445 AromaticContact CD2-CZ 3.98Å; F436-F445 HydrophobicContact CD2-CZ 3.98Å; F436-F445 HydrophobicContact CE2-CE1 4.1Å; F436-F445 HydrophobicContact CE2-CZ 4.17Å; L439-F445 VanDerWaalsContact C-CD1 3.4Å; L439-F445 HydrophobicContact CB-CD1 3.74Å; L439-F445 HydrophobicContact CB-CD2 3.97Å; L439-F445 HydrophobicContact CB-CE1 3.56Å; L439-F445 HydrophobicContact CB-CE2 3.8Å; L439-F445 HydrophobicContact CB-CG 3.93Å; L439-F445 HydrophobicContact CB-CZ 3.59Å; L439-F445 HydrophobicContact CD1-CD2 4.39Å; L439-F445 HydrophobicContact CD1-CE2 3.77Å; L439-F445 HydrophobicContact CD1-CZ 3.98Å; L439-F445 HydrophobicContact CG-CE2 4.39Å; L439-F445 HydrophobicContact CG-CZ 4.46Å; L439-F445 WeakPolarHBondContact O-CD1 3.4Å; K442-F445 HydrophobicContact CB-CB 4.34Å; K442-F445 PolarHBondContact O-N 2.85Å; K442-F445 VanDerWaalsContact O-N 3.07Å; K443-F445 VanDerWaalsContact C-N 3.31Å; K443-F445 PolarHBondContact O-N 3.18Å; F445-D447 VanDerWaalsContact C-N 3.29Å; F445-D447 PolarHBondContact O-N 3.27Å; F445-V448 PolarHBondContact O-N 2.89Å; F445-V449 HydrophobicContact CD1-CG2 3.93Å; F445-V449 HydrophobicContact CE1-CG2 3.75Å; F445-V449 HydrophobicContact CZ-CG2 4.39Å; F445-V449 WeakPolarHBondContact O-CB 3.25Å; F445-V449 VanDerWaalsContact O-CG2 3.29Å; F445-V449 WeakPolarHBondContact O-CG2 3.29Å; F445-V449 PolarHBondContact O-N 2.88Å
446	A	95.5	Very high	94.3	Very high	14 Å²	14	73.2 Å²	73.2	12%	0.116	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-35.4	175.5	0	0	0	0	0	112.9	K440 K442 K443 K450	K440-A446 WeakPolarHBondContact O-CB 3.27Å; K442-A446 PolarHBondContact O-N 2.94Å; K443-A446 WeakPolarHBondContact O-CB 3.41Å; K443-A446 PolarHBondContact O-N 3.09Å; K443-A446 VanDerWaalsContact O-N 3.12Å; A446-K450 WeakPolarHBondContact O-CD 3.22Å; A446-K450 VanDerWaalsContact O-CG 3.22Å; A446-K450 WeakPolarHBondContact O-CG 3.4Å; A446-K450 PolarHBondContact O-N 3.02Å
447	D	95.9	Very high	93.9	Very high	55 Å²	55	77.4 Å²	77.4	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-71.7	-40.9	179.5	-66.1	-23	0	0	0	111.1	K443 K444 F445 K450 E451	K443-D447 WeakPolarHBondContact CE-OD2 3.48Å; K443-D447 WeakPolarHBondContact CG-OD2 3.26Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 VanDerWaalsContact O-CG 3.23Å; K443-D447 PolarHBondContact O-N 2.93Å; K444-D447 PolarHBondContact O-N 2.85Å; F445-D447 VanDerWaalsContact C-N 3.29Å; F445-D447 PolarHBondContact O-N 3.27Å; D447-K450 PolarHBondContact O-N 2.81Å; D447-K450 IonicContact OD1-NZ 2.67Å; D447-K450 PolarHBondContact OD1-NZ 3.19Å; D447-E451 PolarHBondContact O-N 2.66Å; D447-E451 VanDerWaalsContact O-N 3.09Å
448	V	95	Very high	93.6	Very high	4 Å²	4	73.4 Å²	73.4	2%	0.024	35%	0.348	C	S	.	.	H	α-helix	trans	-65.5	-40	171.2	171.4	0	0	0	0	112.6	R361 E365 L367 K444 F445 K450 E451 I452	R361-V448 HydrophobicContact CB-CG1 3.93Å; R361-V448 HydrophobicContact CG-CG1 4.47Å; E365-V448 WeakPolarHBondContact OE2-CG2 3.37Å; L367-V448 HydrophobicContact CD1-CB 4.09Å; L367-V448 HydrophobicContact CD1-CG1 4.47Å; L367-V448 HydrophobicContact CD1-CG2 3.73Å; K444-V448 PolarHBondContact O-N 3.24Å; F445-V448 PolarHBondContact O-N 2.89Å; V448-K450 VanDerWaalsContact C-N 3.33Å; V448-K450 PolarHBondContact O-N 2.87Å; V448-E451 PolarHBondContact O-N 3.39Å; V448-E451 VanDerWaalsContact O-N 3.13Å; V448-I452 HydrophobicContact CG1-CD1 3.95Å; V448-I452 WeakPolarHBondContact O-CG1 3.34Å; V448-I452 PolarHBondContact O-N 3.02Å; V448-I452 VanDerWaalsContact O-N 3.1Å
449	V	95.4	Very high	93.1	Very high	2 Å²	2	73.8 Å²	73.8	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-57.1	-47.3	173.4	166.2	0	0	0	0	110.4	F358 F436 F445 E451 I452 E453 L463	F358-V449 HydrophobicContact CE2-CG2 4.24Å; F358-V449 HydrophobicContact CZ-CG2 4.39Å; F436-V449 HydrophobicContact CE2-CG2 4.04Å; F436-V449 HydrophobicContact CZ-CG1 4.07Å; F436-V449 HydrophobicContact CZ-CG2 4.08Å; F445-V449 HydrophobicContact CD1-CG2 3.93Å; F445-V449 HydrophobicContact CE1-CG2 3.75Å; F445-V449 HydrophobicContact CZ-CG2 4.39Å; F445-V449 WeakPolarHBondContact O-CB 3.25Å; F445-V449 VanDerWaalsContact O-CG2 3.29Å; F445-V449 WeakPolarHBondContact O-CG2 3.29Å; F445-V449 PolarHBondContact O-N 2.88Å; V449-E451 VanDerWaalsContact C-N 3.26Å; V449-E451 PolarHBondContact O-N 3.48Å; V449-I452 PolarHBondContact O-N 2.73Å; V449-E453 HydrophobicContact CG1-CG 4.24Å; V449-E453 WeakPolarHBondContact CG1-OE1 3.48Å; V449-E453 WeakPolarHBondContact O-CB 3.43Å; V449-E453 VanDerWaalsContact O-CG 3.27Å; V449-E453 WeakPolarHBondContact O-CG 3.44Å; V449-E453 PolarHBondContact O-N 2.88Å; V449-L463 HydrophobicContact CG1-CB 4.14Å; V449-L463 HydrophobicContact CG2-CD2 4.3Å
450	K	94.9	Very high	92.5	Very high	106 Å²	106	77 Å²	77	46%	0.461	38%	0.383	S	S	.	.	H	α-helix	trans	-65.6	-21.1	176.3	-70.6	165.9	-168.8	163.7	0	114.7	A446 D447 V448 K454	A446-K450 WeakPolarHBondContact O-CD 3.22Å; A446-K450 VanDerWaalsContact O-CG 3.22Å; A446-K450 WeakPolarHBondContact O-CG 3.4Å; A446-K450 PolarHBondContact O-N 3.02Å; D447-K450 PolarHBondContact O-N 2.81Å; D447-K450 IonicContact OD1-NZ 2.67Å; D447-K450 PolarHBondContact OD1-NZ 3.19Å; V448-K450 VanDerWaalsContact C-N 3.33Å; V448-K450 PolarHBondContact O-N 2.87Å; K450-K454 WeakPolarHBondContact O-CD 3.25Å; K450-K454 VanDerWaalsContact O-CE 3.25Å; K450-K454 WeakPolarHBondContact O-CE 3.28Å; K450-K454 WeakPolarHBondContact O-CG 3.39Å
451	E	95	Very high	92	Very high	92 Å²	92	77.2 Å²	77.2	43%	0.43	39%	0.387	S	S	.	.	H	α-helix	trans	-77	-41.3	172.2	-76	179.5	-169.5	0	0	111.2	R361 D447 V448 V449 K454	R361-E451 IonicContact CZ-OE2 2.67Å; R361-E451 IonicContact NH1-OE2 2.68Å; R361-E451 PolarHBondContact NH1-OE2 2.91Å; R361-E451 IonicContact NH2-OE2 3.24Å; R361-E451 PolarHBondContact NH2-OE2 3.28Å; D447-E451 PolarHBondContact O-N 2.66Å; D447-E451 VanDerWaalsContact O-N 3.09Å; V448-E451 PolarHBondContact O-N 3.39Å; V448-E451 VanDerWaalsContact O-N 3.13Å; V449-E451 VanDerWaalsContact C-N 3.26Å; V449-E451 PolarHBondContact O-N 3.48Å; E451-K454 PolarHBondContact O-N 3.02Å
452	I	94.6	Very high	91.7	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-70.5	-36.7	177.5	-62.5	166.4	0	0	0	110.8	L353 F358 R361 V448 V449 K454 Q455 L463	L353-I452 HydrophobicContact CD1-CG2 3.68Å; F358-I452 HydrophobicContact CB-CD1 4.05Å; F358-I452 HydrophobicContact CD2-CD1 3.49Å; F358-I452 VanDerWaalsContact CD2-CD1 3.49Å; F358-I452 HydrophobicContact CE2-CD1 4.33Å; F358-I452 HydrophobicContact CG-CD1 4.15Å; R361-I452 HydrophobicContact CB-CD1 4.4Å; R361-I452 HydrophobicContact CG-CD1 4.21Å; V448-I452 HydrophobicContact CG1-CD1 3.95Å; V448-I452 WeakPolarHBondContact O-CG1 3.34Å; V448-I452 PolarHBondContact O-N 3.02Å; V448-I452 VanDerWaalsContact O-N 3.1Å; V449-I452 PolarHBondContact O-N 2.73Å; I452-K454 PolarHBondContact O-N 3.2Å; I452-K454 VanDerWaalsContact O-N 3.1Å; I452-Q455 WeakPolarHBondContact O-CB 3.34Å; I452-Q455 PolarHBondContact O-N 2.92Å; I452-L463 HydrophobicContact CB-CD2 4.19Å; I452-L463 HydrophobicContact CD1-CD2 4.17Å; I452-L463 HydrophobicContact CG2-CD1 3.86Å; I452-L463 HydrophobicContact CG2-CD2 3.94Å; I452-L463 HydrophobicContact CG2-CG 4.48Å
453	E	94.3	Very high	91.6	Very high	51 Å²	51	66.2 Å²	66.2	24%	0.238	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-13.9	173.8	-73.3	171.7	162.4	0	0	114.1	V449 P462 L463	V449-E453 HydrophobicContact CG1-CG 4.24Å; V449-E453 WeakPolarHBondContact CG1-OE1 3.48Å; V449-E453 WeakPolarHBondContact O-CB 3.43Å; V449-E453 VanDerWaalsContact O-CG 3.27Å; V449-E453 WeakPolarHBondContact O-CG 3.44Å; V449-E453 PolarHBondContact O-N 2.88Å; E453-P462 VanDerWaalsContact OE1-CA 3.28Å; E453-P462 WeakPolarHBondContact OE1-CA 3.21Å; E453-L463 HydrophobicContact CG-CB 3.94Å; E453-L463 PolarHBondContact OE1-N 3.47Å
454	K	94	Very high	91.2	Very high	168 Å²	168	59 Å²	59	73%	0.73	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.9	173.1	-65.5	164.5	-171.7	169.9	0	113.8	K450 E451 I452	K450-K454 WeakPolarHBondContact O-CD 3.25Å; K450-K454 VanDerWaalsContact O-CE 3.25Å; K450-K454 WeakPolarHBondContact O-CE 3.28Å; K450-K454 WeakPolarHBondContact O-CG 3.39Å; E451-K454 PolarHBondContact O-N 3.02Å; I452-K454 PolarHBondContact O-N 3.2Å; I452-K454 VanDerWaalsContact O-N 3.1Å
455	Q	92.3	Very high	90.8	Very high	70 Å²	70	56.8 Å²	56.8	33%	0.327	31%	0.31	S	S	.	.	S	Bend	trans	-76.9	146.2	-179.8	-58.9	-172.5	-78	0	0	110.3	I452 E457 C458	I452-Q455 WeakPolarHBondContact O-CB 3.34Å; I452-Q455 PolarHBondContact O-N 2.92Å; Q455-E457 PolarHBondContact O-N 3.34Å; Q455-C458 VanDerWaalsContact O-CB 3.28Å; Q455-C458 WeakPolarHBondContact O-CB 3.34Å; Q455-C458 PolarHBondContact O-N 2.95Å
456	A	90.8	Very high	90.5	Very high	88 Å²	88	56.8 Å²	56.8	73%	0.727	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-62.2	-34.6	-174.5	0	0	0	0	0	111.9	C458 E459	A456-C458 PolarHBondContact O-N 2.78Å; A456-C458 VanDerWaalsContact O-N 3.17Å; A456-E459 PolarHBondContact O-N 3.46Å
457	E	87.8	Confident	90.2	Very high	91 Å²	91	56.1 Å²	56.1	43%	0.425	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-58.3	-24.6	175.6	-58.9	94.8	136.6	0	0	113	K350 L353 Q455 E459	K350-E457 PolarHBondContact NZ-O 3.47Å; L353-E457 HydrophobicContact CD1-CB 4.3Å; Q455-E457 PolarHBondContact O-N 3.34Å; E457-E459 VanDerWaalsContact C-N 3.32Å
458	C	86.3	Confident	89.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-80	-11.4	177	-134.1	0	0	0	0	113	L353 Q455 A456 G460 L461 H466	L353-C458 HydrophobicContact CD2-CB 4.35Å; Q455-C458 VanDerWaalsContact O-CB 3.28Å; Q455-C458 WeakPolarHBondContact O-CB 3.34Å; Q455-C458 PolarHBondContact O-N 2.95Å; A456-C458 PolarHBondContact O-N 2.78Å; A456-C458 VanDerWaalsContact O-N 3.17Å; C458-G460 PolarHBondContact O-N 3.31Å; C458-G460 VanDerWaalsContact O-N 3.09Å; C458-L461 PolarHBondContact O-N 3.12Å; C458-L461 PolarHBondContact SG-O 3.19Å; C458-H466 PolarHBondContact O-CE1 2.82Å; C458-H466 PolarHBondContact O-NE2 3.16Å
459	E	83.7	Confident	89.5	Confident	123 Å²	123	56.6 Å²	56.6	58%	0.575	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	25.1	177.8	-76.1	160	-158.2	0	0	114.8	K350 A456 E457 L461	K350-E459 WeakPolarHBondContact CE-OE2 3.29Å; K350-E459 IonicContact NZ-OE1 2.67Å; K350-E459 PolarHBondContact NZ-OE1 3.31Å; K350-E459 IonicContact NZ-OE2 3.58Å; K350-E459 PolarHBondContact NZ-OE2 3.32Å; A456-E459 PolarHBondContact O-N 3.46Å; E457-E459 VanDerWaalsContact C-N 3.32Å; E459-L461 PolarHBondContact O-N 3.37Å
460	G	80.5	Confident	89.3	Confident	70 Å²	70	56.5 Å²	56.5	72%	0.722	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	7.8	-175.8	0	0	0	0	0	114.6	C458	C458-G460 PolarHBondContact O-N 3.31Å; C458-G460 VanDerWaalsContact O-N 3.09Å
461	L	82.8	Confident	88.7	Confident	76 Å²	76	52.9 Å²	52.9	40%	0.398	29%	0.294	S	S	.	.	S	Bend	trans	-87.5	143.9	173.4	-61.9	177	0	0	0	110.6	C458 E459 H465	C458-L461 PolarHBondContact O-N 3.12Å; C458-L461 PolarHBondContact SG-O 3.19Å; E459-L461 PolarHBondContact O-N 3.37Å; L461-H465 HydrophobicContact CB-CB 4.44Å
462	P	88	Confident	88.1	Confident	51 Å²	51	53.1 Å²	53.1	33%	0.331	30%	0.295	S	S	.	.			trans	-54.1	142.5	170.5	-25.6	34	0	0	0	112.1	E453 G464 H465	E453-P462 VanDerWaalsContact OE1-CA 3.28Å; E453-P462 WeakPolarHBondContact OE1-CA 3.21Å; P462-G464 PolarHBondContact O-N 3.36Å; P462-G464 VanDerWaalsContact O-N 3.11Å; P462-H465 WeakPolarHBondContact O-CB 3.45Å; P462-H465 PolarHBondContact O-N 2.88Å
463	L	91.4	Very high	88	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-32.2	-172.3	-175.4	59.3	0	0	0	112.4	L353 L354 F358 F436 V449 I452 E453 H465 H466	L353-L463 HydrophobicContact CD2-CD1 4.23Å; L353-L463 HydrophobicContact CG-CD1 4.18Å; L354-L463 HydrophobicContact CD2-CD1 3.99Å; F358-L463 HydrophobicContact CB-CD2 4.43Å; F358-L463 HydrophobicContact CD1-CD2 3.94Å; F358-L463 HydrophobicContact CD2-CD2 3.8Å; F358-L463 HydrophobicContact CE1-CD2 4.05Å; F358-L463 HydrophobicContact CE2-CD2 3.89Å; F358-L463 HydrophobicContact CG-CD2 3.82Å; F358-L463 HydrophobicContact CZ-CD2 4.01Å; F436-L463 HydrophobicContact CZ-CB 4.22Å; V449-L463 HydrophobicContact CG1-CB 4.14Å; V449-L463 HydrophobicContact CG2-CD2 4.3Å; I452-L463 HydrophobicContact CB-CD2 4.19Å; I452-L463 HydrophobicContact CD1-CD2 4.17Å; I452-L463 HydrophobicContact CG2-CD1 3.86Å; I452-L463 HydrophobicContact CG2-CD2 3.94Å; I452-L463 HydrophobicContact CG2-CG 4.48Å; E453-L463 HydrophobicContact CG-CB 3.94Å; E453-L463 PolarHBondContact OE1-N 3.47Å; L463-H465 PolarHBondContact O-N 3.37Å; L463-H466 PolarHBondContact O-N 3.08Å; L463-H466 VanDerWaalsContact O-N 3.15Å
464	G	86.6	Confident	87.5	Confident	14 Å²	14	51.4 Å²	51.4	14%	0.144	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-26.5	174.1	0	0	0	0	0	114.2	P462 H466 L467	P462-G464 PolarHBondContact O-N 3.36Å; P462-G464 VanDerWaalsContact O-N 3.11Å; G464-H466 VanDerWaalsContact C-N 3.27Å; G464-H466 PolarHBondContact O-N 3.33Å; G464-L467 WeakPolarHBondContact O-CB 3.48Å; G464-L467 PolarHBondContact O-N 3.05Å
465	H	85.3	Confident	86.8	Confident	114 Å²	114	48.9 Å²	48.9	53%	0.528	28%	0.279	S	S	.	.	H	α-helix	trans	-70.9	-20.8	175.8	-71.2	-172.8	0	0	0	112.8	L461 P462 L463 L467 I468	L461-H465 HydrophobicContact CB-CB 4.44Å; P462-H465 WeakPolarHBondContact O-CB 3.45Å; P462-H465 PolarHBondContact O-N 2.88Å; L463-H465 PolarHBondContact O-N 3.37Å; H465-L467 VanDerWaalsContact C-N 3.33Å; H465-I468 WeakPolarHBondContact O-CG2 3.33Å
466	H	89.8	Confident	86.5	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-79	-17.5	175.5	-61.8	-70.1	0	0	0	112.3	L354 C458 L463 G464 I468 C469	L354-H466 HydrophobicContact CD1-CB 4.23Å; L354-H466 WeakPolarHBondContact CD1-O 3.48Å; L354-H466 HydrophobicContact CD2-CB 4.3Å; L354-H466 HydrophobicContact CG-CB 4.36Å; C458-H466 PolarHBondContact O-CE1 2.82Å; C458-H466 PolarHBondContact O-NE2 3.16Å; L463-H466 PolarHBondContact O-N 3.08Å; L463-H466 VanDerWaalsContact O-N 3.15Å; G464-H466 VanDerWaalsContact C-N 3.27Å; G464-H466 PolarHBondContact O-N 3.33Å; H466-I468 VanDerWaalsContact C-N 3.27Å; H466-I468 PolarHBondContact O-N 2.98Å; H466-C469 VanDerWaalsContact O-CB 3.26Å; H466-C469 WeakPolarHBondContact O-CB 3.33Å; H466-C469 PolarHBondContact O-N 2.92Å; H466-C469 VanDerWaalsContact O-N 3.1Å; H466-C469 PolarHBondContact O-SG 2.9Å; H466-C469 VanDerWaalsContact O-SG 3.36Å
467	L	90.8	Very high	86.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28	-179.6	-62.2	175.2	0	0	0	113.2	L354 L377 Y425 Y429 F436 G464 H465 C469 P470	L354-L467 HydrophobicContact CD1-CD2 4.22Å; L354-L467 HydrophobicContact CD2-CD2 3.89Å; L377-L467 HydrophobicContact CD2-CD2 4.5Å; Y425-L467 WeakPolarHBondContact CE1-O 3.38Å; Y425-L467 PolarHBondContact OH-O 3.03Å; Y429-L467 WeakPolarHBondContact CD2-O 3.37Å; Y429-L467 HydrophobicContact CE2-CB 4.05Å; Y429-L467 WeakPolarHBondContact CE2-O 3.34Å; F436-L467 HydrophobicContact CB-CD1 4.04Å; F436-L467 HydrophobicContact CD1-CD1 4.42Å; F436-L467 HydrophobicContact CD2-CD1 4.14Å; F436-L467 HydrophobicContact CG-CD1 3.95Å; G464-L467 WeakPolarHBondContact O-CB 3.48Å; G464-L467 PolarHBondContact O-N 3.05Å; H465-L467 VanDerWaalsContact C-N 3.33Å; L467-C469 VanDerWaalsContact C-N 3.29Å; L467-C469 PolarHBondContact O-N 3.4Å; L467-P470 WeakPolarHBondContact O-CD 3.13Å
468	I	86.1	Confident	86.4	Confident	43 Å²	43	45.4 Å²	45.4	22%	0.221	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.8	177.5	-167.4	64.2	0	0	0	112.6	Y429 H465 H466 V471 Q472	Y429-I468 HydrophobicContact CD1-CD1 4.19Å; Y429-I468 HydrophobicContact CD2-CD1 4.45Å; Y429-I468 HydrophobicContact CE1-CD1 3.58Å; Y429-I468 HydrophobicContact CE2-CB 3.99Å; Y429-I468 HydrophobicContact CE2-CD1 3.87Å; Y429-I468 VanDerWaalsContact CZ-CD1 3.41Å; H465-I468 WeakPolarHBondContact O-CG2 3.33Å; H466-I468 VanDerWaalsContact C-N 3.27Å; H466-I468 PolarHBondContact O-N 2.98Å; I468-V471 HydrophobicContact CD1-CB 3.85Å; I468-V471 HydrophobicContact CD1-CG1 4.19Å; I468-V471 HydrophobicContact CD1-CG2 4.08Å; I468-V471 WeakPolarHBondContact O-CB 3.36Å; I468-V471 PolarHBondContact O-N 2.71Å; I468-V471 VanDerWaalsContact O-N 3.1Å; I468-Q472 HydrophobicContact CG1-CG 4.04Å; I468-Q472 PolarHBondContact O-N 3Å
469	C	88.5	Confident	86.3	Confident	25 Å²	25	50 Å²	50	17%	0.169	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-40.5	-171.6	-66.9	0	0	0	0	114.5	Y347 H466 L467 Q472 R473	Y347-C469 HydrophobicContact CE2-CB 4.41Å; H466-C469 VanDerWaalsContact O-CB 3.26Å; H466-C469 WeakPolarHBondContact O-CB 3.33Å; H466-C469 PolarHBondContact O-N 2.92Å; H466-C469 VanDerWaalsContact O-N 3.1Å; H466-C469 PolarHBondContact O-SG 2.9Å; H466-C469 VanDerWaalsContact O-SG 3.36Å; L467-C469 VanDerWaalsContact C-N 3.29Å; L467-C469 PolarHBondContact O-N 3.4Å; C469-Q472 PolarHBondContact O-N 3.07Å; C469-R473 WeakPolarHBondContact O-CB 3.47Å; C469-R473 PolarHBondContact O-N 2.95Å
470	P	91.1	Very high	86.6	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-40.7	175.7	-21.9	34.6	0	0	0	112.9	Y347 L351 L383 Y422 Y425 L467 Q472 R473 V474	Y347-P470 HydrophobicContact CE2-CG 4.48Å; L351-P470 HydrophobicContact CD2-CG 4.3Å; L383-P470 HydrophobicContact CD1-CB 4.25Å; Y422-P470 HydrophobicContact CD1-CB 4.17Å; Y422-P470 VanDerWaalsContact CD1-O 3.32Å; Y422-P470 WeakPolarHBondContact CD1-O 3.32Å; Y422-P470 HydrophobicContact CE1-CB 3.97Å; Y422-P470 WeakPolarHBondContact CE1-O 3.44Å; Y425-P470 HydrophobicContact CD1-CB 3.68Å; Y425-P470 HydrophobicContact CD1-CG 3.98Å; Y425-P470 HydrophobicContact CE1-CB 3.97Å; Y425-P470 HydrophobicContact CE1-CG 3.79Å; Y425-P470 HydrophobicContact CG-CB 4.25Å; L467-P470 WeakPolarHBondContact O-CD 3.13Å; P470-Q472 VanDerWaalsContact C-N 3.31Å; P470-Q472 PolarHBondContact O-N 3.09Å; P470-R473 PolarHBondContact O-N 2.89Å; P470-V474 PolarHBondContact O-N 2.78Å
471	V	83.2	Confident	87.2	Confident	29 Å²	29	41.9 Å²	41.9	18%	0.176	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-43.4	176.6	-171.5	0	0	0	0	110.3	Y425 T426 Y429 I468 V474 M475	Y425-V471 HydrophobicContact CD1-CG2 4.14Å; Y425-V471 HydrophobicContact CE1-CG2 4.2Å; T426-V471 HydrophobicContact CG2-CG1 4.29Å; T426-V471 HydrophobicContact CG2-CG2 4.27Å; Y429-V471 HydrophobicContact CD1-CG2 4.39Å; Y429-V471 HydrophobicContact CD2-CG2 4Å; Y429-V471 HydrophobicContact CG-CG2 3.82Å; I468-V471 HydrophobicContact CD1-CB 3.85Å; I468-V471 HydrophobicContact CD1-CG1 4.19Å; I468-V471 HydrophobicContact CD1-CG2 4.08Å; I468-V471 WeakPolarHBondContact O-CB 3.36Å; I468-V471 PolarHBondContact O-N 2.71Å; I468-V471 VanDerWaalsContact O-N 3.1Å; V471-V474 WeakPolarHBondContact O-CG1 3.27Å; V471-M475 WeakPolarHBondContact O-CG 3.39Å
472	Q	82.8	Confident	87.5	Confident	97 Å²	97	42 Å²	42	45%	0.453	21%	0.209	S	C	.	.	H	α-helix	trans	-69.3	-37	175	-74.2	171.2	1.7	0	0	113.1	I468 C469 P470 M475 R476	I468-Q472 HydrophobicContact CG1-CG 4.04Å; I468-Q472 PolarHBondContact O-N 3Å; C469-Q472 PolarHBondContact O-N 3.07Å; P470-Q472 VanDerWaalsContact C-N 3.31Å; P470-Q472 PolarHBondContact O-N 3.09Å; Q472-M475 PolarHBondContact O-N 2.86Å; Q472-R476 VanDerWaalsContact O-CG 3.28Å; Q472-R476 WeakPolarHBondContact O-CG 3.44Å; Q472-R476 PolarHBondContact O-N 3.07Å; Q472-R476 VanDerWaalsContact O-N 3.11Å
473	R	91.9	Very high	87.6	Confident	8 Å²	8	43.3 Å²	43.3	3%	0.03	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-46	-175.3	-173.2	73.4	-179.3	157.2	4.7	112	L340 S343 E344 Y347 Y422 C469 P470 M475 R476 Y477	L340-R473 PolarHBondContact O-NH2 3.2Å; S343-R473 PolarHBondContact O-NH1 3.01Å; S343-R473 PolarHBondContact OG-NH1 3.01Å; E344-R473 VanDerWaalsContact CA-NH2 3.29Å; E344-R473 IonicContact OE2-CZ 3.07Å; E344-R473 IonicContact OE2-NE 3.58Å; E344-R473 PolarHBondContact OE2-NE 3Å; E344-R473 IonicContact OE2-NH2 2.89Å; E344-R473 PolarHBondContact OE2-NH2 3.18Å; Y347-R473 HydrophobicContact CD1-CB 4.32Å; Y347-R473 HydrophobicContact CD1-CG 3.59Å; Y347-R473 HydrophobicContact CD2-CB 3.77Å; Y347-R473 HydrophobicContact CD2-CG 3.87Å; Y347-R473 HydrophobicContact CE1-CB 4.09Å; Y347-R473 HydrophobicContact CE1-CG 3.62Å; Y347-R473 HydrophobicContact CE2-CB 3.52Å; Y347-R473 HydrophobicContact CE2-CG 3.91Å; Y347-R473 HydrophobicContact CG-CB 4.16Å; Y347-R473 HydrophobicContact CG-CG 3.71Å; Y422-R473 HydrophobicContact CE1-CB 4.36Å; C469-R473 WeakPolarHBondContact O-CB 3.47Å; C469-R473 PolarHBondContact O-N 2.95Å; P470-R473 PolarHBondContact O-N 2.89Å; R473-M475 VanDerWaalsContact C-N 3.26Å; R473-M475 PolarHBondContact O-N 2.84Å; R473-R476 PolarHBondContact O-N 3.45Å; R473-Y477 HydrophobicContact CG-CE1 4.3Å; R473-Y477 HydrophobicContact CG-CE2 3.82Å; R473-Y477 WeakPolarHBondContact CG-OH 3.44Å; R473-Y477 PolarHBondContact NE-OH 3.44Å; R473-Y477 WeakPolarHBondContact O-CD2 3.48Å; R473-Y477 PolarHBondContact O-N 3.04Å
474	V	84.5	Confident	87.8	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-40.4	179.6	66.1	0	0	0	0	111.6	Y422 P470 V471 R476	Y422-V474 HydrophobicContact CD1-CB 3.67Å; Y422-V474 HydrophobicContact CD1-CG1 4.05Å; Y422-V474 HydrophobicContact CD1-CG2 4.46Å; Y422-V474 HydrophobicContact CD2-CB 4.38Å; Y422-V474 HydrophobicContact CD2-CG2 4.43Å; Y422-V474 HydrophobicContact CE1-CB 3.98Å; Y422-V474 HydrophobicContact CG-CB 3.85Å; Y422-V474 HydrophobicContact CG-CG1 4.41Å; Y422-V474 HydrophobicContact CG-CG2 4.14Å; P470-V474 PolarHBondContact O-N 2.78Å; V471-V474 WeakPolarHBondContact O-CG1 3.27Å; V474-R476 VanDerWaalsContact C-N 3.31Å; V474-R476 PolarHBondContact O-N 2.78Å
475	M	78.6	Confident	88.2	Confident	116 Å²	116	45.2 Å²	45.2	57%	0.571	22%	0.215	S	C	*	.	H	α-helix	trans	-67.7	-26	174.9	-61.9	178.4	72.5	0	0	113.7	V471 Q472 R473 Q478	V471-M475 WeakPolarHBondContact O-CG 3.39Å; Q472-M475 PolarHBondContact O-N 2.86Å; R473-M475 VanDerWaalsContact C-N 3.26Å; R473-M475 PolarHBondContact O-N 2.84Å; M475-Q478 WeakPolarHBondContact O-CG 3.22Å
476	R	84.9	Confident	88.6	Confident	120 Å²	120	42.6 Å²	42.6	45%	0.453	20%	0.202	S	C	.	.	H	α-helix	trans	-80.3	-22.8	-178.2	-76.8	175.9	75.9	113.7	1.1	113.8	Q472 R473 V474 Q478 L479 L480	Q472-R476 VanDerWaalsContact O-CG 3.28Å; Q472-R476 WeakPolarHBondContact O-CG 3.44Å; Q472-R476 PolarHBondContact O-N 3.07Å; Q472-R476 VanDerWaalsContact O-N 3.11Å; R473-R476 PolarHBondContact O-N 3.45Å; V474-R476 VanDerWaalsContact C-N 3.31Å; V474-R476 PolarHBondContact O-N 2.78Å; R476-Q478 VanDerWaalsContact C-N 3.3Å; R476-Q478 PolarHBondContact O-N 2.82Å; R476-L479 PolarHBondContact O-N 3.08Å; R476-L480 HydrophobicContact CB-CD1 4.46Å; R476-L480 WeakPolarHBondContact O-CG 3.36Å; R476-L480 PolarHBondContact O-N 2.94Å
477	Y	91.6	Very high	88.8	Confident	1 Å²	1	43 Å²	43	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-38.7	178.7	-65.8	-58.4	0	0	0	112.5	L340 E344 H387 F391 L419 Y422 R473 L479 L480 L481	L340-Y477 HydrophobicContact CD1-CD1 4.26Å; E344-Y477 PolarHBondContact OE2-OH 2.88Å; E344-Y477 VanDerWaalsContact OE2-OH 3.09Å; H387-Y477 PolarHBondContact CE1-OH 3.08Å; F391-Y477 HydrophobicContact CE1-CD1 4.44Å; F391-Y477 AromaticContact CE1-CE1 3.7Å; F391-Y477 HydrophobicContact CE1-CE1 3.7Å; F391-Y477 AromaticContact CE1-CZ 3.96Å; F391-Y477 HydrophobicContact CZ-CE1 4.39Å; L419-Y477 HydrophobicContact CD1-CD2 3.77Å; L419-Y477 HydrophobicContact CD1-CE2 4.11Å; L419-Y477 HydrophobicContact CD1-CG 4.37Å; L419-Y477 HydrophobicContact CD2-CD2 4.24Å; L419-Y477 HydrophobicContact CD2-CE2 3.72Å; Y422-Y477 PolarHBondContact OH-OH 2.76Å; R473-Y477 HydrophobicContact CG-CE1 4.3Å; R473-Y477 HydrophobicContact CG-CE2 3.82Å; R473-Y477 WeakPolarHBondContact CG-OH 3.44Å; R473-Y477 PolarHBondContact NE-OH 3.44Å; R473-Y477 WeakPolarHBondContact O-CD2 3.48Å; R473-Y477 PolarHBondContact O-N 3.04Å; Y477-L479 VanDerWaalsContact C-N 3.32Å; Y477-L479 PolarHBondContact O-N 3.26Å; Y477-L480 PolarHBondContact O-N 3.26Å; Y477-L481 WeakPolarHBondContact O-CB 3.44Å; Y477-L481 WeakPolarHBondContact O-CG 3.34Å; Y477-L481 PolarHBondContact O-N 2.8Å
478	Q	86.2	Confident	88.9	Confident	54 Å²	54	43.6 Å²	43.6	25%	0.252	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-42	178.1	82.7	-167	33.7	0	0	110.9	M475 R476 L481 Q482 L502 V505 L506	M475-Q478 WeakPolarHBondContact O-CG 3.22Å; R476-Q478 VanDerWaalsContact C-N 3.3Å; R476-Q478 PolarHBondContact O-N 2.82Å; Q478-L481 PolarHBondContact O-N 3.17Å; Q478-Q482 VanDerWaalsContact O-CB 3.27Å; Q478-Q482 WeakPolarHBondContact O-CB 3.28Å; Q478-Q482 WeakPolarHBondContact O-CG 3.18Å; Q478-Q482 PolarHBondContact O-N 2.81Å; Q478-Q482 PolarHBondContact O-OE1 3.14Å; Q478-L502 HydrophobicContact CB-CD1 3.9Å; Q478-V505 HydrophobicContact CB-CG1 4.02Å; Q478-L506 HydrophobicContact CB-CD2 4.23Å
479	L	83.2	Confident	89.3	Confident	97 Å²	97	45.5 Å²	45.5	51%	0.508	22%	0.215	S	C	.	.	H	α-helix	trans	-68.1	-40	-179.1	-56.3	177.2	0	0	0	111.7	R476 Y477 Q482 E483	R476-L479 PolarHBondContact O-N 3.08Å; Y477-L479 VanDerWaalsContact C-N 3.32Å; Y477-L479 PolarHBondContact O-N 3.26Å; L479-Q482 PolarHBondContact O-N 2.69Å; L479-E483 PolarHBondContact O-N 2.64Å
480	L	89.7	Confident	89.5	Confident	21 Å²	21	49.3 Å²	49.3	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-41.1	177.1	-69.2	164.2	0	0	0	111.5	E339 L340 R476 Y477 Y484	E339-L480 HydrophobicContact CG-CD2 4.09Å; L340-L480 HydrophobicContact CD1-CB 4.16Å; L340-L480 HydrophobicContact CD1-CD1 3.86Å; R476-L480 HydrophobicContact CB-CD1 4.46Å; R476-L480 WeakPolarHBondContact O-CG 3.36Å; R476-L480 PolarHBondContact O-N 2.94Å; Y477-L480 PolarHBondContact O-N 3.26Å; L480-Y484 WeakPolarHBondContact O-CB 3.48Å; L480-Y484 PolarHBondContact O-N 3.4Å; L480-Y484 VanDerWaalsContact O-N 3.1Å
481	L	93.6	Very high	89.6	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-69.9	-37.8	174.3	-72.6	174.5	0	0	0	112.6	V412 Y477 Q478 Y484 K485 T498 A501 L502 V505	V412-L481 HydrophobicContact CB-CD2 4.23Å; V412-L481 HydrophobicContact CG1-CD1 3.95Å; V412-L481 HydrophobicContact CG1-CD2 4.13Å; V412-L481 HydrophobicContact CG1-CG 4.41Å; V412-L481 HydrophobicContact CG2-CD2 4.23Å; Y477-L481 WeakPolarHBondContact O-CB 3.44Å; Y477-L481 WeakPolarHBondContact O-CG 3.34Å; Y477-L481 PolarHBondContact O-N 2.8Å; Q478-L481 PolarHBondContact O-N 3.17Å; L481-Y484 PolarHBondContact O-N 3.41Å; L481-K485 VanDerWaalsContact O-CB 3.28Å; L481-K485 WeakPolarHBondContact O-CB 3.39Å; L481-K485 PolarHBondContact O-N 3.35Å; L481-T498 HydrophobicContact CD2-CG2 4.31Å; L481-A501 HydrophobicContact CD1-CB 3.91Å; L481-A501 HydrophobicContact CD2-CB 4.15Å; L481-L502 HydrophobicContact CB-CB 4.48Å; L481-L502 HydrophobicContact CB-CD1 4.21Å; L481-L502 HydrophobicContact CD1-CB 4.34Å; L481-V505 HydrophobicContact CD1-CB 4.36Å; L481-V505 HydrophobicContact CD1-CG2 3.83Å
482	Q	89.9	Confident	90.2	Very high	77 Å²	77	53.5 Å²	53.5	36%	0.36	27%	0.269	S	S	.	.	H	α-helix	trans	-64.1	-50.5	176.1	-78.7	167.3	-28.4	0	0	111.4	Q478 L479 Y484 K485 K486 L502	Q478-Q482 VanDerWaalsContact O-CB 3.27Å; Q478-Q482 WeakPolarHBondContact O-CB 3.28Å; Q478-Q482 WeakPolarHBondContact O-CG 3.18Å; Q478-Q482 PolarHBondContact O-N 2.81Å; Q478-Q482 PolarHBondContact O-OE1 3.14Å; L479-Q482 PolarHBondContact O-N 2.69Å; Q482-Y484 PolarHBondContact O-N 2.93Å; Q482-K485 PolarHBondContact O-N 3.04Å; Q482-K486 VanDerWaalsContact O-CB 3.27Å; Q482-K486 WeakPolarHBondContact O-CB 3.47Å; Q482-K486 PolarHBondContact O-N 3.3Å; Q482-L502 HydrophobicContact CG-CD1 4.01Å; Q482-L502 HydrophobicContact CG-CD2 3.85Å
483	E	90.3	Very high	90.8	Very high	79 Å²	79	53.2 Å²	53.2	37%	0.369	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-25.3	177.6	-175.3	61.2	-149	0	0	112	A336 L479 K486 H487	A336-E483 HydrophobicContact CB-CG 4.43Å; L479-E483 PolarHBondContact O-N 2.64Å; E483-K486 IonicContact OE1-NZ 2.77Å; E483-K486 WeakPolarHBondContact OE2-CD 3.4Å; E483-K486 WeakPolarHBondContact OE2-CE 3.33Å; E483-K486 IonicContact OE2-NZ 2.73Å; E483-K486 PolarHBondContact OE2-NZ 2.83Å; E483-H487 PolarHBondContact O-CD2 2.92Å; E483-H487 PolarHBondContact O-NE2 3.11Å; E483-H487 VanDerWaalsContact O-NE2 3.15Å; E483-H487 IonicContact OE1-CD2 2.63Å; E483-H487 IonicContact OE1-CE1 3.75Å; E483-H487 PolarHBondContact OE1-CE1 3.18Å; E483-H487 IonicContact OE1-NE2 3.47Å; E483-H487 PolarHBondContact OE1-NE2 3.37Å
484	Y	95.5	Very high	91	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-71.4	-51.2	168.2	-177.5	-114.3	0	0	0	112.2	A333 A336 A337 W402 K406 I408 A409 L480 L481 Q482 K486 H487 L488 D494 T498	A333-Y484 HydrophobicContact CB-CD2 4.11Å; A333-Y484 HydrophobicContact CB-CE2 3.85Å; A333-Y484 VanDerWaalsContact O-CD2 3.25Å; A333-Y484 WeakPolarHBondContact O-CD2 3.29Å; A333-Y484 WeakPolarHBondContact O-CE2 3.49Å; A336-Y484 HydrophobicContact CB-CD2 4.25Å; A337-Y484 HydrophobicContact CB-CD2 4.11Å; A337-Y484 HydrophobicContact CB-CE2 3.87Å; W402-Y484 HydrophobicContact CZ2-CE2 4.14Å; W402-Y484 AromaticContact NE1-CE2 3.94Å; W402-Y484 AromaticContact NE1-CZ 3.91Å; W402-Y484 PolarHBondContact NE1-OH 2.82Å; K406-Y484 PolarHBondContact O-OH 3.49Å; I408-Y484 HydrophobicContact CG2-CD1 4.18Å; I408-Y484 HydrophobicContact CG2-CD2 4.44Å; I408-Y484 HydrophobicContact CG2-CE1 3.59Å; I408-Y484 HydrophobicContact CG2-CE2 3.91Å; I408-Y484 VanDerWaalsContact CG2-CZ 3.43Å; A409-Y484 HydrophobicContact CB-CE1 4.3Å; L480-Y484 WeakPolarHBondContact O-CB 3.48Å; L480-Y484 PolarHBondContact O-N 3.4Å; L480-Y484 VanDerWaalsContact O-N 3.1Å; L481-Y484 PolarHBondContact O-N 3.41Å; Q482-Y484 PolarHBondContact O-N 2.93Å; Y484-K486 VanDerWaalsContact C-N 3.28Å; Y484-K486 PolarHBondContact O-N 2.97Å; Y484-H487 PolarHBondContact O-N 3.32Å; Y484-L488 HydrophobicContact CD1-CD1 4.07Å; Y484-L488 HydrophobicContact CE1-CD1 3.72Å; Y484-L488 HydrophobicContact CE1-CG 4.43Å; Y484-D494 WeakPolarHBondContact CE1-OD2 3.35Å; Y484-D494 PolarHBondContact OH-OD2 2.81Å; Y484-T498 HydrophobicContact CD1-CG2 3.91Å; Y484-T498 WeakPolarHBondContact CE1-OG1 3.49Å
485	K	95	Very high	91.6	Very high	50 Å²	50	54.3 Å²	54.3	22%	0.217	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-38.6	-179.1	-175.5	168	169.3	169.1	0	113	L481 Q482 H487 L488 F495 T498 T499	L481-K485 VanDerWaalsContact O-CB 3.28Å; L481-K485 WeakPolarHBondContact O-CB 3.39Å; L481-K485 PolarHBondContact O-N 3.35Å; Q482-K485 PolarHBondContact O-N 3.04Å; K485-H487 PolarHBondContact O-N 3.26Å; K485-H487 VanDerWaalsContact O-N 3.12Å; K485-L488 WeakPolarHBondContact O-CA 3.5Å; K485-L488 WeakPolarHBondContact O-CB 3.39Å; K485-L488 PolarHBondContact O-N 3.05Å; K485-F495 HydrophobicContact CG-CE2 4.4Å; K485-T498 HydrophobicContact CB-CG2 3.69Å; K485-T498 HydrophobicContact CD-CG2 4.46Å; K485-T498 HydrophobicContact CG-CG2 4.28Å; K485-T499 WeakPolarHBondContact CE-OG1 3.3Å; K485-T499 PolarHBondContact NZ-OG1 3.13Å
486	K	93	Very high	92.4	Very high	59 Å²	59	54.1 Å²	54.1	26%	0.257	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.7	174.8	178.5	-177.3	-179.6	177.2	0	114.6	D316 I317 T318 Q482 E483 Y484	D316-K486 WeakPolarHBondContact OD1-CA 3.45Å; D316-K486 WeakPolarHBondContact OD1-CB 3.28Å; D316-K486 WeakPolarHBondContact OD1-CG 3.16Å; I317-K486 WeakPolarHBondContact O-CE 3.38Å; I317-K486 PolarHBondContact O-NZ 3.42Å; T318-K486 WeakPolarHBondContact O-CE 3.4Å; Q482-K486 VanDerWaalsContact O-CB 3.27Å; Q482-K486 WeakPolarHBondContact O-CB 3.47Å; Q482-K486 PolarHBondContact O-N 3.3Å; E483-K486 IonicContact OE1-NZ 2.77Å; E483-K486 WeakPolarHBondContact OE2-CD 3.4Å; E483-K486 WeakPolarHBondContact OE2-CE 3.33Å; E483-K486 IonicContact OE2-NZ 2.73Å; E483-K486 PolarHBondContact OE2-NZ 2.83Å; Y484-K486 VanDerWaalsContact C-N 3.28Å; Y484-K486 PolarHBondContact O-N 2.97Å
487	H	94	Very high	93	Very high	11 Å²	11	49 Å²	49	5%	0.051	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	19.6	174.1	-48	-54.6	0	0	0	112.5	R329 K332 A333 E483 Y484 K485	R329-H487 HydrophobicContact CG-CB 4.18Å; R329-H487 WeakPolarHBondContact CG-O 3.38Å; R329-H487 PolarHBondContact NH1-O 3.09Å; K332-H487 HydrophobicContact CB-CB 4.09Å; K332-H487 VanDerWaalsContact CB-CG 3.43Å; A333-H487 HydrophobicContact CB-CB 3.96Å; E483-H487 PolarHBondContact O-CD2 2.92Å; E483-H487 PolarHBondContact O-NE2 3.11Å; E483-H487 VanDerWaalsContact O-NE2 3.15Å; E483-H487 IonicContact OE1-CD2 2.63Å; E483-H487 IonicContact OE1-CE1 3.75Å; E483-H487 PolarHBondContact OE1-CE1 3.18Å; E483-H487 IonicContact OE1-NE2 3.47Å; E483-H487 PolarHBondContact OE1-NE2 3.37Å; Y484-H487 PolarHBondContact O-N 3.32Å; K485-H487 PolarHBondContact O-N 3.26Å; K485-H487 VanDerWaalsContact O-N 3.12Å
488	L	94.1	Very high	93.3	Very high	15 Å²	15	49 Å²	49	8%	0.079	26%	0.261	C	S	.	.			trans	-110.7	161	168.9	-59.6	-177	0	0	0	110.9	A333 Y484 K485 D492 D494 F495 T498	A333-L488 HydrophobicContact CB-CD2 4.39Å; Y484-L488 HydrophobicContact CD1-CD1 4.07Å; Y484-L488 HydrophobicContact CE1-CD1 3.72Å; Y484-L488 HydrophobicContact CE1-CG 4.43Å; K485-L488 WeakPolarHBondContact O-CA 3.5Å; K485-L488 WeakPolarHBondContact O-CB 3.39Å; K485-L488 PolarHBondContact O-N 3.05Å; L488-D492 VanDerWaalsContact CA-OD2 3.25Å; L488-D492 WeakPolarHBondContact CA-OD2 3.13Å; L488-D492 HydrophobicContact CD2-CB 4.24Å; L488-D494 HydrophobicContact CD1-CB 4.34Å; L488-F495 HydrophobicContact CB-CB 4.48Å; L488-F495 HydrophobicContact CB-CD2 3.8Å; L488-T498 WeakPolarHBondContact CD1-OG1 3.31Å
489	Q	93.7	Very high	93.8	Very high	83 Å²	83	48.6 Å²	48.6	39%	0.388	26%	0.262	S	S	.	.			trans	-121.9	156	170.4	-71.9	171.4	-42.3	0	0	108.5	R329 S491 D492 F495	R329-Q489 VanDerWaalsContact CZ-OE1 3.31Å; R329-Q489 VanDerWaalsContact NE-OE1 3.11Å; Q489-S491 PolarHBondContact O-N 2.89Å; Q489-D492 PolarHBondContact N-OD2 3.29Å; Q489-D492 WeakPolarHBondContact O-CB 3.45Å; Q489-D492 PolarHBondContact O-N 2.91Å; Q489-F495 VanDerWaalsContact C-CD2 3.43Å; Q489-F495 WeakPolarHBondContact O-CB 3.3Å; Q489-F495 WeakPolarHBondContact O-CD2 3.38Å
490	P	93.7	Very high	94.4	Very high	105 Å²	105	46.7 Å²	46.7	68%	0.682	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-11.9	177.7	-27	35.6	0	0	0	115.7	F495	P490-F495 HydrophobicContact CB-CD1 4.33Å; P490-F495 HydrophobicContact CB-CE1 4.25Å; P490-F495 HydrophobicContact CG-CE1 4.09Å; P490-F495 HydrophobicContact CG-CE2 4.21Å; P490-F495 HydrophobicContact CG-CZ 3.9Å
491	S	93.2	Very high	94.8	Very high	101 Å²	101	45.7 Å²	45.7	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.1	173.6	57.6	0	0	0	0	114.6	Q489	Q489-S491 PolarHBondContact O-N 2.89Å
492	D	94.8	Very high	94.8	Very high	16 Å²	16	46.6 Å²	46.6	9%	0.086	25%	0.254	C	S	.	.	S	Bend	trans	-85.4	140.6	178.5	-65.7	-47.6	0	0	0	112.3	R329 Y330 L488 Q489 D494 F495	R329-D492 IonicContact CZ-OD1 2.62Å; R329-D492 IonicContact CZ-OD2 2.61Å; R329-D492 IonicContact NH1-OD1 3.25Å; R329-D492 IonicContact NH1-OD2 3.73Å; R329-D492 PolarHBondContact NH1-OD2 2.8Å; R329-D492 IonicContact NH2-OD1 3.48Å; R329-D492 PolarHBondContact NH2-OD1 2.77Å; R329-D492 IonicContact NH2-OD2 2.77Å; R329-D492 PolarHBondContact NH2-OD2 2.86Å; Y330-D492 WeakPolarHBondContact CE1-OD1 3.36Å; Y330-D492 PolarHBondContact OH-OD1 2.94Å; L488-D492 VanDerWaalsContact CA-OD2 3.25Å; L488-D492 WeakPolarHBondContact CA-OD2 3.13Å; L488-D492 HydrophobicContact CD2-CB 4.24Å; Q489-D492 PolarHBondContact N-OD2 3.29Å; Q489-D492 WeakPolarHBondContact O-CB 3.45Å; Q489-D492 PolarHBondContact O-N 2.91Å; D492-D494 PolarHBondContact O-N 3.18Å; D492-F495 PolarHBondContact O-N 3.26Å
493	V	94.9	Very high	95	Very high	91 Å²	91	47 Å²	47	55%	0.552	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-5.9	-178.8	-62.6	0	0	0	0	116.4	T405 K406 R407	T405-V493 WeakPolarHBondContact O-CG2 3.07Å; K406-V493 HydrophobicContact CB-CG2 4.07Å; R407-V493 HydrophobicContact CG-CG2 3.83Å; R407-V493 PolarHBondContact NE-O 3.09Å
494	D	96.4	Very high	95.2	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	1.1	-178.7	-145.6	35.5	0	0	0	112.3	K406 R407 I408 A409 N410 Y484 L488 D492 T498	K406-D494 WeakPolarHBondContact O-CB 2.26Å; R407-D494 WeakPolarHBondContact CA-OD2 2.26Å; R407-D494 HydrophobicContact CG-CB 3.98Å; R407-D494 IonicContact NE-OD1 3.03Å; I408-D494 PolarHBondContact N-OD2 3.08Å; A409-D494 PolarHBondContact N-OD1 2.85Å; A409-D494 PolarHBondContact N-OD2 3.33Å; N410-D494 PolarHBondContact N-OD1 3.18Å; Y484-D494 WeakPolarHBondContact CE1-OD2 3.35Å; Y484-D494 PolarHBondContact OH-OD2 2.81Å; L488-D494 HydrophobicContact CD1-CB 4.34Å; D492-D494 PolarHBondContact O-N 3.18Å; D494-T498 VanDerWaalsContact O-CB 3.26Å; D494-T498 WeakPolarHBondContact O-CB 2.94Å; D494-T498 PolarHBondContact O-N 2.83Å; D494-T498 PolarHBondContact O-OG1 3.26Å
495	F	97.3	Very high	95	Very high	39 Å²	39	44.8 Å²	44.8	17%	0.171	25%	0.247	C	C	.	.	H	α-helix	trans	-67.8	-46.9	-175.9	-177.8	-87.1	0	0	0	112.7	K485 L488 Q489 P490 D492 T498 T499	K485-F495 HydrophobicContact CG-CE2 4.4Å; L488-F495 HydrophobicContact CB-CB 4.48Å; L488-F495 HydrophobicContact CB-CD2 3.8Å; Q489-F495 VanDerWaalsContact C-CD2 3.43Å; Q489-F495 WeakPolarHBondContact O-CB 3.3Å; Q489-F495 WeakPolarHBondContact O-CD2 3.38Å; P490-F495 HydrophobicContact CB-CD1 4.33Å; P490-F495 HydrophobicContact CB-CE1 4.25Å; P490-F495 HydrophobicContact CG-CE1 4.09Å; P490-F495 HydrophobicContact CG-CE2 4.21Å; P490-F495 HydrophobicContact CG-CZ 3.9Å; D492-F495 PolarHBondContact O-N 3.26Å; F495-T498 PolarHBondContact O-N 2.93Å; F495-T499 WeakPolarHBondContact O-CB 3.48Å; F495-T499 PolarHBondContact O-N 3.38Å; F495-T499 PolarHBondContact O-OG1 3.34Å
496	D	96.6	Very high	94.6	Very high	112 Å²	112	44.6 Å²	44.6	60%	0.599	25%	0.248	S	C	*	.	H	α-helix	trans	-67.6	-43.4	176.1	-66	-21.7	0	0	0	110.8	T498 T499 V500	D496-T498 VanDerWaalsContact C-N 3.27Å; D496-T498 PolarHBondContact O-N 2.72Å; D496-T499 PolarHBondContact O-N 2.77Å; D496-T499 VanDerWaalsContact O-N 3.12Å; D496-V500 WeakPolarHBondContact O-CG2 3.41Å; D496-V500 PolarHBondContact O-N 2.99Å
497	D	97.3	Very high	94.4	Very high	13 Å²	13	44 Å²	44	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-40.1	174.4	-78.2	18	0	0	0	111.4	R407 A409 N410 R413 A501	R407-D497 IonicContact CZ-OD2 2.64Å; R407-D497 IonicContact NE-OD2 3.19Å; R407-D497 IonicContact NH2-OD1 3.69Å; R407-D497 IonicContact NH2-OD2 2.9Å; R407-D497 PolarHBondContact NH2-OD2 3.32Å; A409-D497 HydrophobicContact CB-CB 4.25Å; N410-D497 WeakPolarHBondContact CA-OD2 3.48Å; N410-D497 WeakPolarHBondContact CB-OD2 3.14Å; R413-D497 VanDerWaalsContact CZ-CG 3.47Å; R413-D497 IonicContact CZ-OD1 2.67Å; R413-D497 IonicContact CZ-OD2 3.62Å; R413-D497 IonicContact NH1-OD1 3.22Å; R413-D497 PolarHBondContact NH1-OD1 2.83Å; R413-D497 IonicContact NH2-OD1 2.9Å; R413-D497 PolarHBondContact NH2-OD1 2.82Å; R413-D497 IonicContact NH2-OD2 2.71Å; R413-D497 PolarHBondContact NH2-OD2 2.96Å; D497-A501 WeakPolarHBondContact O-CB 3.49Å; D497-A501 PolarHBondContact O-N 3.48Å
498	T	97.1	Very high	94	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.9	-38.2	174.8	-54.1	0	0	0	0	112.6	A409 L481 Y484 K485 L488 D494 F495 D496 A501 L502	A409-T498 VanDerWaalsContact CB-CA 3.47Å; A409-T498 HydrophobicContact CB-CG2 4.38Å; A409-T498 WeakPolarHBondContact CB-OG1 3.4Å; L481-T498 HydrophobicContact CD2-CG2 4.31Å; Y484-T498 HydrophobicContact CD1-CG2 3.91Å; Y484-T498 WeakPolarHBondContact CE1-OG1 3.49Å; K485-T498 HydrophobicContact CB-CG2 3.69Å; K485-T498 HydrophobicContact CD-CG2 4.46Å; K485-T498 HydrophobicContact CG-CG2 4.28Å; L488-T498 WeakPolarHBondContact CD1-OG1 3.31Å; D494-T498 VanDerWaalsContact O-CB 3.26Å; D494-T498 WeakPolarHBondContact O-CB 2.94Å; D494-T498 PolarHBondContact O-N 2.83Å; D494-T498 PolarHBondContact O-OG1 3.26Å; F495-T498 PolarHBondContact O-N 2.93Å; D496-T498 VanDerWaalsContact C-N 3.27Å; D496-T498 PolarHBondContact O-N 2.72Å; T498-A501 PolarHBondContact O-N 3.36Å; T498-L502 WeakPolarHBondContact O-CB 3.45Å; T498-L502 PolarHBondContact O-N 3.45Å
499	T	96.3	Very high	93.1	Very high	46 Å²	46	43.7 Å²	43.7	28%	0.282	25%	0.248	S	C	.	.	H	α-helix	trans	-66.2	-48.2	179.3	-61.3	0	0	0	0	111	K485 F495 D496 L502 E503	K485-T499 WeakPolarHBondContact CE-OG1 3.3Å; K485-T499 PolarHBondContact NZ-OG1 3.13Å; F495-T499 WeakPolarHBondContact O-CB 3.48Å; F495-T499 PolarHBondContact O-N 3.38Å; F495-T499 PolarHBondContact O-OG1 3.34Å; D496-T499 PolarHBondContact O-N 2.77Å; D496-T499 VanDerWaalsContact O-N 3.12Å; T499-L502 PolarHBondContact O-N 2.61Å; T499-E503 PolarHBondContact O-N 2.96Å; T499-E503 VanDerWaalsContact O-N 3.09Å
500	V	96.9	Very high	92.4	Very high	56 Å²	56	41.9 Å²	41.9	34%	0.339	25%	0.247	S	C	.	.	H	α-helix	trans	-69.3	-33.6	176.3	-177.2	0	0	0	0	111.5	R413 D496 L502 L504	R413-V500 HydrophobicContact CG-CB 4.3Å; R413-V500 HydrophobicContact CG-CG1 3.92Å; D496-V500 WeakPolarHBondContact O-CG2 3.41Å; D496-V500 PolarHBondContact O-N 2.99Å; V500-L502 VanDerWaalsContact C-N 3.33Å; V500-L502 PolarHBondContact O-N 3.28Å; V500-L504 HydrophobicContact CG1-CD1 3.99Å; V500-L504 HydrophobicContact CG1-CG 4.34Å; V500-L504 WeakPolarHBondContact O-CB 3.4Å; V500-L504 VanDerWaalsContact O-CG 3.25Å; V500-L504 WeakPolarHBondContact O-CG 3.29Å; V500-L504 PolarHBondContact O-N 3.11Å
501	A	96.9	Very high	91.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-40.5	172.3	0	0	0	0	0	112.4	A409 V412 R413 L481 D497 T498 V505	A409-A501 HydrophobicContact CB-CB 4.49Å; V412-A501 HydrophobicContact CB-CB 4.1Å; V412-A501 HydrophobicContact CG1-CB 4.19Å; R413-A501 HydrophobicContact CB-CB 4.06Å; L481-A501 HydrophobicContact CD1-CB 3.91Å; L481-A501 HydrophobicContact CD2-CB 4.15Å; D497-A501 WeakPolarHBondContact O-CB 3.49Å; D497-A501 PolarHBondContact O-N 3.48Å; T498-A501 PolarHBondContact O-N 3.36Å; A501-V505 WeakPolarHBondContact O-CB 3.26Å; A501-V505 VanDerWaalsContact O-CG2 3.27Å; A501-V505 WeakPolarHBondContact O-CG2 3.47Å; A501-V505 PolarHBondContact O-N 2.91Å
502	L	93.3	Very high	90.8	Very high	21 Å²	21	35.4 Å²	35.4	11%	0.11	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-45.8	179.2	180	60.1	0	0	0	111.2	Q478 L481 Q482 T498 T499 V500 L504 V505 L506	Q478-L502 HydrophobicContact CB-CD1 3.9Å; L481-L502 HydrophobicContact CB-CB 4.48Å; L481-L502 HydrophobicContact CB-CD1 4.21Å; L481-L502 HydrophobicContact CD1-CB 4.34Å; Q482-L502 HydrophobicContact CG-CD1 4.01Å; Q482-L502 HydrophobicContact CG-CD2 3.85Å; T498-L502 WeakPolarHBondContact O-CB 3.45Å; T498-L502 PolarHBondContact O-N 3.45Å; T499-L502 PolarHBondContact O-N 2.61Å; V500-L502 VanDerWaalsContact C-N 3.33Å; V500-L502 PolarHBondContact O-N 3.28Å; L502-L504 PolarHBondContact O-N 3.34Å; L502-V505 PolarHBondContact O-N 2.8Å; L502-L506 HydrophobicContact CD1-CD1 4.28Å; L502-L506 HydrophobicContact CD1-CG 4.34Å; L502-L506 HydrophobicContact CG-CD1 4.09Å; L502-L506 WeakPolarHBondContact O-CG 3.41Å; L502-L506 PolarHBondContact O-N 3.41Å
503	E	94	Very high	89.6	Confident	87 Å²	87	39 Å²	39	41%	0.407	22%	0.217	S	C	.	.	H	α-helix	trans	-56.2	-48.9	174.7	-169.7	-165.5	155.1	0	0	111.5	T499 V505 L506 Q507	T499-E503 PolarHBondContact O-N 2.96Å; T499-E503 VanDerWaalsContact O-N 3.09Å; E503-V505 VanDerWaalsContact C-N 3.31Å; E503-V505 PolarHBondContact O-N 2.83Å; E503-L506 PolarHBondContact O-N 2.78Å; E503-Q507 WeakPolarHBondContact O-CB 3.34Å; E503-Q507 WeakPolarHBondContact O-CG 3.48Å; E503-Q507 PolarHBondContact O-N 2.82Å; E503-Q507 PolarHBondContact OE1-NE2 3.39Å
504	L	95	Very high	88.6	Confident	36 Å²	36	38.6 Å²	38.6	19%	0.188	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-32.5	179.1	-70.1	170.4	0	0	0	113.2	R413 A416 P417 V500 L502 A508	R413-L504 HydrophobicContact CG-CD1 3.87Å; A416-L504 HydrophobicContact CB-CB 3.59Å; A416-L504 HydrophobicContact CB-CD1 4.43Å; P417-L504 HydrophobicContact CG-CD1 4.3Å; P417-L504 HydrophobicContact CG-CD2 4.44Å; V500-L504 HydrophobicContact CG1-CD1 3.99Å; V500-L504 HydrophobicContact CG1-CG 4.34Å; V500-L504 WeakPolarHBondContact O-CB 3.4Å; V500-L504 VanDerWaalsContact O-CG 3.25Å; V500-L504 WeakPolarHBondContact O-CG 3.29Å; V500-L504 PolarHBondContact O-N 3.11Å; L502-L504 PolarHBondContact O-N 3.34Å; L504-A508 WeakPolarHBondContact O-CB 3.2Å; L504-A508 PolarHBondContact O-N 3.31Å
505	V	91.1	Very high	87.4	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.8	-43.5	173.1	164.7	0	0	0	0	111.1	V412 A416 L419 Q478 L481 A501 L502 E503 A508 A509	V412-V505 HydrophobicContact CG1-CG2 4.43Å; A416-V505 HydrophobicContact CB-CG2 4.06Å; L419-V505 HydrophobicContact CD1-CG2 3.86Å; Q478-V505 HydrophobicContact CB-CG1 4.02Å; L481-V505 HydrophobicContact CD1-CB 4.36Å; L481-V505 HydrophobicContact CD1-CG2 3.83Å; A501-V505 WeakPolarHBondContact O-CB 3.26Å; A501-V505 VanDerWaalsContact O-CG2 3.27Å; A501-V505 WeakPolarHBondContact O-CG2 3.47Å; A501-V505 PolarHBondContact O-N 2.91Å; L502-V505 PolarHBondContact O-N 2.8Å; E503-V505 VanDerWaalsContact C-N 3.31Å; E503-V505 PolarHBondContact O-N 2.83Å; V505-A508 WeakPolarHBondContact O-CB 3.45Å; V505-A508 PolarHBondContact O-N 2.96Å; V505-A508 VanDerWaalsContact O-N 3.16Å; V505-A509 PolarHBondContact O-N 3.29Å
506	L	87.8	Confident	86	Confident	45 Å²	45	43.7 Å²	43.7	24%	0.236	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-43.3	176.1	-70.3	170	0	0	0	111.1	Q478 L502 E503 A508 A509 A510	Q478-L506 HydrophobicContact CB-CD2 4.23Å; L502-L506 HydrophobicContact CD1-CD1 4.28Å; L502-L506 HydrophobicContact CD1-CG 4.34Å; L502-L506 HydrophobicContact CG-CD1 4.09Å; L502-L506 WeakPolarHBondContact O-CG 3.41Å; L502-L506 PolarHBondContact O-N 3.41Å; E503-L506 PolarHBondContact O-N 2.78Å; L506-A508 VanDerWaalsContact C-N 3.28Å; L506-A508 PolarHBondContact O-N 3.45Å; L506-A509 PolarHBondContact O-N 3.16Å; L506-A510 WeakPolarHBondContact O-CB 3.16Å; L506-A510 PolarHBondContact O-N 3.16Å
507	Q	88.8	Confident	84.9	Confident	46 Å²	46	43 Å²	43	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-34	171.7	-72.6	175.8	12.8	0	0	112.8	E503 H511	E503-Q507 WeakPolarHBondContact O-CB 3.34Å; E503-Q507 WeakPolarHBondContact O-CG 3.48Å; E503-Q507 PolarHBondContact O-N 2.82Å; E503-Q507 PolarHBondContact OE1-NE2 3.39Å; Q507-H511 VanDerWaalsContact O-CB 3.22Å; Q507-H511 WeakPolarHBondContact O-CB 3.25Å; Q507-H511 PolarHBondContact O-N 2.81Å
508	A	84.6	Confident	83.6	Confident	2 Å²	2	47 Å²	47	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-70.7	-38.4	175.2	0	0	0	0	0	112.5	L419 K420 L504 V505 L506 A512	L419-A508 HydrophobicContact CB-CB 3.85Å; K420-A508 HydrophobicContact CG-CB 4.02Å; L504-A508 WeakPolarHBondContact O-CB 3.2Å; L504-A508 PolarHBondContact O-N 3.31Å; V505-A508 WeakPolarHBondContact O-CB 3.45Å; V505-A508 PolarHBondContact O-N 2.96Å; V505-A508 VanDerWaalsContact O-N 3.16Å; L506-A508 VanDerWaalsContact C-N 3.28Å; L506-A508 PolarHBondContact O-N 3.45Å; A508-A512 PolarHBondContact O-N 2.85Å; A508-A512 VanDerWaalsContact O-N 3.17Å
509	A	76.3	Confident	82.2	Confident	19 Å²	19	50.3 Å²	50.3	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-70	-41.4	173.5	0	0	0	0	0	112.3	V505 L506 H511 A512 N513	V505-A509 PolarHBondContact O-N 3.29Å; L506-A509 PolarHBondContact O-N 3.16Å; A509-H511 VanDerWaalsContact C-N 3.35Å; A509-A512 WeakPolarHBondContact O-CB 3.44Å; A509-A512 PolarHBondContact O-N 2.92Å; A509-N513 PolarHBondContact O-N 2.98Å; A509-N513 VanDerWaalsContact O-N 3.07Å; A509-N513 PolarHBondContact O-ND2 2.89Å
510	A	79	Confident	81.2	Confident	45 Å²	45	52.3 Å²	52.3	37%	0.372	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-42.2	173.5	0	0	0	0	0	111.5	L506 A512 N513 E514	L506-A510 WeakPolarHBondContact O-CB 3.16Å; L506-A510 PolarHBondContact O-N 3.16Å; A510-A512 VanDerWaalsContact C-N 3.33Å; A510-A512 PolarHBondContact O-N 2.62Å; A510-N513 PolarHBondContact O-N 2.62Å; A510-E514 PolarHBondContact O-N 3.37Å
511	H	80.2	Confident	80.3	Confident	63 Å²	63	53.7 Å²	53.7	29%	0.292	27%	0.268	S	S	.	.	H	α-helix	trans	-57.8	-42.8	172.8	178.8	-97.8	0	0	0	112.2	K420 Q507 A509 E514 M515	K420-H511 HydrophobicContact CD-CB 4.42Å; K420-H511 HydrophobicContact CG-CB 4.17Å; Q507-H511 VanDerWaalsContact O-CB 3.22Å; Q507-H511 WeakPolarHBondContact O-CB 3.25Å; Q507-H511 PolarHBondContact O-N 2.81Å; A509-H511 VanDerWaalsContact C-N 3.35Å; H511-E514 PolarHBondContact O-N 3.22Å; H511-M515 WeakPolarHBondContact O-CB 3.49Å; H511-M515 VanDerWaalsContact O-CG 3.28Å; H511-M515 WeakPolarHBondContact O-CG 2.93Å; H511-M515 PolarHBondContact O-N 3.15Å
512	A	71.2	Confident	79.2	Confident	6 Å²	6	57 Å²	57	5%	0.05	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-45.6	174.5	0	0	0	0	0	112.1	A508 A509 A510 M515 M516	A508-A512 PolarHBondContact O-N 2.85Å; A508-A512 VanDerWaalsContact O-N 3.17Å; A509-A512 WeakPolarHBondContact O-CB 3.44Å; A509-A512 PolarHBondContact O-N 2.92Å; A510-A512 VanDerWaalsContact C-N 3.33Å; A510-A512 PolarHBondContact O-N 2.62Å; A512-M515 PolarHBondContact O-N 2.83Å; A512-M516 WeakPolarHBondContact O-CG 3.26Å; A512-M516 PolarHBondContact O-N 3.23Å
513	N	70.7	Confident	78.3	Confident	93 Å²	93	57.3 Å²	57.3	50%	0.497	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-40.1	177.6	-71	-34.9	0	0	0	113.3	A509 A510 M516 K517	A509-N513 PolarHBondContact O-N 2.98Å; A509-N513 VanDerWaalsContact O-N 3.07Å; A509-N513 PolarHBondContact O-ND2 2.89Å; A510-N513 PolarHBondContact O-N 2.62Å; N513-M516 WeakPolarHBondContact O-CB 3.46Å; N513-M516 PolarHBondContact O-N 3.46Å; N513-K517 WeakPolarHBondContact O-CG 3.15Å; N513-K517 PolarHBondContact O-N 3.36Å
514	E	74.4	Confident	78	Confident	81 Å²	81	56.9 Å²	56.9	38%	0.379	29%	0.288	S	S	.	.	H	α-helix	trans	-70.4	-33.9	174.5	-72.9	-52.5	134.6	0	0	112.4	A510 H511 M516 K517 K518	A510-E514 PolarHBondContact O-N 3.37Å; H511-E514 PolarHBondContact O-N 3.22Å; E514-M516 VanDerWaalsContact C-N 3.35Å; E514-K517 PolarHBondContact O-N 2.94Å; E514-K517 WeakPolarHBondContact OE1-CD 3.26Å; E514-K517 WeakPolarHBondContact OE1-CE 3.28Å; E514-K517 IonicContact OE1-NZ 2.65Å; E514-K517 PolarHBondContact OE1-NZ 2.86Å; E514-K517 WeakPolarHBondContact OE2-CD 3.33Å; E514-K518 VanDerWaalsContact O-CB 3.25Å; E514-K518 WeakPolarHBondContact O-CB 3.48Å; E514-K518 PolarHBondContact O-N 2.95Å
515	M	70.2	Confident	77.6	Confident	52 Å²	52	55.2 Å²	55.2	26%	0.256	28%	0.279	S	S	.	.	H	α-helix	trans	-66.9	-35.4	171.6	-68.7	-54.8	104.8	0	0	112	N427 H511 A512 K518 L519	N427-M515 WeakPolarHBondContact ND2-CB 3.37Å; H511-M515 WeakPolarHBondContact O-CB 3.49Å; H511-M515 VanDerWaalsContact O-CG 3.28Å; H511-M515 WeakPolarHBondContact O-CG 2.93Å; H511-M515 PolarHBondContact O-N 3.15Å; A512-M515 PolarHBondContact O-N 2.83Å; M515-K518 HydrophobicContact CE-CD 4.18Å; M515-K518 PolarHBondContact O-N 2.93Å; M515-K518 HydrophobicContact SD-CD 4.43Å; M515-L519 WeakPolarHBondContact O-CB 3.26Å; M515-L519 WeakPolarHBondContact O-CG 3.41Å; M515-L519 PolarHBondContact O-N 2.87Å
516	M	68.3	Low	77.1	Confident	94 Å²	94	57.8 Å²	57.8	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-49.8	170.4	-71.6	177.8	65.3	0	0	111.3	N427 A512 N513 E514 K518 L519 D520	N427-M516 WeakPolarHBondContact OD1-CG 3.29Å; N427-M516 PolarHBondContact OD1-N 2.96Å; A512-M516 WeakPolarHBondContact O-CG 3.26Å; A512-M516 PolarHBondContact O-N 3.23Å; N513-M516 WeakPolarHBondContact O-CB 3.46Å; N513-M516 PolarHBondContact O-N 3.46Å; E514-M516 VanDerWaalsContact C-N 3.35Å; M516-K518 PolarHBondContact O-N 2.88Å; M516-L519 PolarHBondContact O-N 2.93Å; M516-D520 PolarHBondContact O-N 2.88Å
517	K	73.1	Confident	77.1	Confident	99 Å²	99	60.8 Å²	60.8	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-59.4	-44.7	176.9	-69.6	170	-171.5	174.3	0	111.7	N513 E514 L519 D520 R521	N513-K517 WeakPolarHBondContact O-CG 3.15Å; N513-K517 PolarHBondContact O-N 3.36Å; E514-K517 PolarHBondContact O-N 2.94Å; E514-K517 WeakPolarHBondContact OE1-CD 3.26Å; E514-K517 WeakPolarHBondContact OE1-CE 3.28Å; E514-K517 IonicContact OE1-NZ 2.65Å; E514-K517 PolarHBondContact OE1-NZ 2.86Å; E514-K517 WeakPolarHBondContact OE2-CD 3.33Å; K517-L519 VanDerWaalsContact C-N 3.31Å; K517-L519 PolarHBondContact O-N 2.92Å; K517-D520 PolarHBondContact O-N 2.96Å; K517-R521 WeakPolarHBondContact O-CG 3.43Å; K517-R521 PolarHBondContact O-N 2.85Å
518	K	69.6	Low	77.1	Confident	97 Å²	97	58.8 Å²	58.8	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-36.9	178.4	-169.7	169.5	-175.3	171.2	0	111.9	E514 M515 M516 F522	E514-K518 VanDerWaalsContact O-CB 3.25Å; E514-K518 WeakPolarHBondContact O-CB 3.48Å; E514-K518 PolarHBondContact O-N 2.95Å; M515-K518 HydrophobicContact CE-CD 4.18Å; M515-K518 PolarHBondContact O-N 2.93Å; M515-K518 HydrophobicContact SD-CD 4.43Å; M516-K518 PolarHBondContact O-N 2.88Å; K518-F522 WeakPolarHBondContact O-CB 3.47Å; K518-F522 PolarHBondContact O-N 3.4Å
519	L	68.6	Low	77.2	Confident	69 Å²	69	60 Å²	60	36%	0.361	30%	0.301	S	S	.	.	H	α-helix	trans	-72.3	-33.6	174.6	-74.4	176.1	0	0	0	113.7	N427 M515 M516 K517 G523	N427-L519 HydrophobicContact CB-CD1 3.61Å; N427-L519 VanDerWaalsContact CG-CD1 3.5Å; N427-L519 VanDerWaalsContact ND2-CD1 3.34Å; N427-L519 WeakPolarHBondContact ND2-CD1 3.43Å; M515-L519 WeakPolarHBondContact O-CB 3.26Å; M515-L519 WeakPolarHBondContact O-CG 3.41Å; M515-L519 PolarHBondContact O-N 2.87Å; M516-L519 PolarHBondContact O-N 2.93Å; K517-L519 VanDerWaalsContact C-N 3.31Å; K517-L519 PolarHBondContact O-N 2.92Å; L519-G523 PolarHBondContact O-N 2.74Å
520	D	75.1	Confident	77.6	Confident	88 Å²	88	65.8 Å²	65.8	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-48.2	170.7	161.5	83.9	0	0	0	111.4	M516 K517 F522 G523 K524	M516-D520 PolarHBondContact O-N 2.88Å; K517-D520 PolarHBondContact O-N 2.96Å; D520-F522 PolarHBondContact O-N 3Å; D520-G523 PolarHBondContact O-N 3.18Å; D520-K524 PolarHBondContact O-N 2.79Å; D520-K524 VanDerWaalsContact O-N 3.12Å; D520-K524 WeakPolarHBondContact OD1-CE 3.47Å; D520-K524 IonicContact OD1-NZ 2.77Å; D520-K524 PolarHBondContact OD1-NZ 3.23Å; D520-K524 IonicContact OD2-NZ 3.92Å; D520-K524 PolarHBondContact OD2-NZ 2.87Å
521	R	77.4	Confident	78.2	Confident	84 Å²	84	66.3 Å²	66.3	32%	0.317	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-42	176.3	-65.1	179.1	-155.4	156.9	7.9	111.8	K517 K524 V525 E544	K517-R521 WeakPolarHBondContact O-CG 3.43Å; K517-R521 PolarHBondContact O-N 2.85Å; R521-K524 WeakPolarHBondContact O-CB 3.33Å; R521-K524 PolarHBondContact O-N 3.12Å; R521-V525 PolarHBondContact O-N 3.2Å; R521-E544 HydrophobicContact CB-CB 4.29Å; R521-E544 HydrophobicContact CB-CG 4.09Å; R521-E544 WeakPolarHBondContact CD-OE1 3.38Å; R521-E544 WeakPolarHBondContact CD-OE2 3.23Å; R521-E544 IonicContact CZ-OE1 2.74Å; R521-E544 IonicContact CZ-OE2 3.86Å; R521-E544 IonicContact NE-OE2 2.98Å; R521-E544 VanDerWaalsContact NH1-CD 3.29Å; R521-E544 IonicContact NH1-OE1 3.19Å; R521-E544 PolarHBondContact NH1-OE1 2.85Å; R521-E544 IonicContact NH1-OE2 2.96Å; R521-E544 PolarHBondContact NH1-OE2 2.94Å
522	F	73.9	Confident	78.6	Confident	71 Å²	71	63.3 Å²	63.3	31%	0.311	31%	0.306	S	S	.	.	H	α-helix	trans	-65.7	-37.4	174	-176.1	-103.8	0	0	0	112.1	K518 D520 K524 V525 I526 V539	K518-F522 WeakPolarHBondContact O-CB 3.47Å; K518-F522 PolarHBondContact O-N 3.4Å; D520-F522 PolarHBondContact O-N 3Å; F522-K524 VanDerWaalsContact C-N 3.29Å; F522-K524 PolarHBondContact O-N 2.67Å; F522-V525 WeakPolarHBondContact O-CA 3.48Å; F522-V525 WeakPolarHBondContact O-CB 3.39Å; F522-V525 PolarHBondContact O-N 2.64Å; F522-I526 HydrophobicContact CD1-CG1 4.28Å; F522-I526 HydrophobicContact CE1-CD1 3.96Å; F522-I526 HydrophobicContact CE1-CG1 4.1Å; F522-I526 HydrophobicContact CZ-CD1 4.02Å; F522-I526 PolarHBondContact O-N 2.73Å; F522-V539 HydrophobicContact CE2-CG1 3.87Å; F522-V539 HydrophobicContact CZ-CG1 3.59Å
523	G	75	Confident	79.1	Confident	26 Å²	26	63.6 Å²	63.6	27%	0.268	31%	0.31	S	S	.	.	H	α-helix	trans	-54.8	-44.6	172.2	0	0	0	0	0	112.2	L519 D520 V525 I526 E527	L519-G523 PolarHBondContact O-N 2.74Å; D520-G523 PolarHBondContact O-N 3.18Å; G523-V525 VanDerWaalsContact C-N 3.27Å; G523-V525 PolarHBondContact O-N 3.07Å; G523-I526 WeakPolarHBondContact O-CA 3.45Å; G523-I526 WeakPolarHBondContact O-CB 3.34Å; G523-I526 PolarHBondContact O-N 2.97Å; G523-E527 PolarHBondContact O-N 3.25Å
524	K	87.2	Confident	79.5	Confident	78 Å²	78	67.6 Å²	67.6	34%	0.339	33%	0.331	S	S	.	.	H	α-helix	trans	-62.8	-30	174.2	-68.7	156	-174.3	160.5	0	113.1	D520 R521 F522 V528 L545	D520-K524 PolarHBondContact O-N 2.79Å; D520-K524 VanDerWaalsContact O-N 3.12Å; D520-K524 WeakPolarHBondContact OD1-CE 3.47Å; D520-K524 IonicContact OD1-NZ 2.77Å; D520-K524 PolarHBondContact OD1-NZ 3.23Å; D520-K524 IonicContact OD2-NZ 3.92Å; D520-K524 PolarHBondContact OD2-NZ 2.87Å; R521-K524 WeakPolarHBondContact O-CB 3.33Å; R521-K524 PolarHBondContact O-N 3.12Å; F522-K524 VanDerWaalsContact C-N 3.29Å; F522-K524 PolarHBondContact O-N 2.67Å; K524-V528 WeakPolarHBondContact O-CG2 3.35Å; K524-V528 PolarHBondContact O-N 2.9Å; K524-L545 HydrophobicContact CB-CB 4.33Å; K524-L545 HydrophobicContact CB-CD2 4.26Å
525	V	87	Confident	79.9	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.006	33%	0.331	C	S	.	.	H	α-helix	trans	-69.2	-40	171.3	-174.8	0	0	0	0	111.2	R521 F522 G523 V528 Q529 L538 R543 F569	R521-V525 PolarHBondContact O-N 3.2Å; F522-V525 WeakPolarHBondContact O-CA 3.48Å; F522-V525 WeakPolarHBondContact O-CB 3.39Å; F522-V525 PolarHBondContact O-N 2.64Å; G523-V525 VanDerWaalsContact C-N 3.27Å; G523-V525 PolarHBondContact O-N 3.07Å; V525-V528 PolarHBondContact O-N 3.42Å; V525-Q529 WeakPolarHBondContact O-CB 3.42Å; V525-Q529 PolarHBondContact O-N 3.34Å; V525-L538 HydrophobicContact CG1-CB 3.69Å; V525-L538 WeakPolarHBondContact CG1-O 3.32Å; V525-R543 HydrophobicContact CG2-CG 4.45Å; V525-R543 WeakPolarHBondContact CG2-O 3.5Å; V525-F569 HydrophobicContact CG1-CE1 4.28Å; V525-F569 HydrophobicContact CG2-CD1 4.36Å; V525-F569 HydrophobicContact CG2-CE1 4.1Å
526	I	81.8	Confident	80.6	Confident	54 Å²	54	65.7 Å²	65.7	28%	0.277	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-42.5	173.9	-54.8	-52.2	0	0	0	111.2	F522 G523 V528 Q529 E530 V539	F522-I526 HydrophobicContact CD1-CG1 4.28Å; F522-I526 HydrophobicContact CE1-CD1 3.96Å; F522-I526 HydrophobicContact CE1-CG1 4.1Å; F522-I526 HydrophobicContact CZ-CD1 4.02Å; F522-I526 PolarHBondContact O-N 2.73Å; G523-I526 WeakPolarHBondContact O-CA 3.45Å; G523-I526 WeakPolarHBondContact O-CB 3.34Å; G523-I526 PolarHBondContact O-N 2.97Å; I526-V528 VanDerWaalsContact C-N 3.32Å; I526-V528 PolarHBondContact O-N 3.16Å; I526-Q529 WeakPolarHBondContact O-CB 3.46Å; I526-Q529 PolarHBondContact O-N 3.47Å; I526-Q529 VanDerWaalsContact O-N 3.11Å; I526-E530 WeakPolarHBondContact O-CG 3.36Å; I526-E530 PolarHBondContact O-N 2.65Å; I526-V539 HydrophobicContact CD1-CG1 4.04Å; I526-V539 HydrophobicContact CD1-CG2 3.7Å
527	E	86.7	Confident	81.4	Confident	108 Å²	108	65.6 Å²	65.6	51%	0.505	34%	0.337	S	S	.	.	H	α-helix	trans	-58.6	-42.1	176	-71.8	174.6	-164.3	0	0	112.2	G523 Q531	G523-E527 PolarHBondContact O-N 3.25Å; E527-Q531 WeakPolarHBondContact O-CB 3.42Å; E527-Q531 WeakPolarHBondContact O-CG 3.48Å; E527-Q531 PolarHBondContact O-N 3.12Å; E527-Q531 PolarHBondContact O-NE2 2.93Å
528	V	89.8	Confident	81.9	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-72.2	-33.6	175.9	-177.5	0	0	0	0	111.5	K524 V525 I526 Q531 L532 L538 L545 F567 F569	K524-V528 WeakPolarHBondContact O-CG2 3.35Å; K524-V528 PolarHBondContact O-N 2.9Å; V525-V528 PolarHBondContact O-N 3.42Å; I526-V528 VanDerWaalsContact C-N 3.32Å; I526-V528 PolarHBondContact O-N 3.16Å; V528-Q531 PolarHBondContact O-N 2.98Å; V528-L532 HydrophobicContact CG1-CD1 3.85Å; V528-L532 HydrophobicContact CG1-CG 4.36Å; V528-L532 WeakPolarHBondContact O-CB 3.48Å; V528-L532 PolarHBondContact O-N 3.1Å; V528-L538 HydrophobicContact CB-CD1 3.98Å; V528-L538 HydrophobicContact CG1-CD1 3.66Å; V528-L545 HydrophobicContact CG2-CD2 3.95Å; V528-F567 HydrophobicContact CB-CD1 4.36Å; V528-F567 HydrophobicContact CB-CE1 4.31Å; V528-F567 HydrophobicContact CG1-CD1 3.65Å; V528-F567 HydrophobicContact CG1-CD2 4.08Å; V528-F567 HydrophobicContact CG1-CE1 3.67Å; V528-F567 HydrophobicContact CG1-CE2 4.1Å; V528-F567 HydrophobicContact CG1-CG 3.85Å; V528-F567 HydrophobicContact CG1-CZ 3.9Å; V528-F567 HydrophobicContact CG2-CD1 3.64Å; V528-F567 HydrophobicContact CG2-CE1 3.61Å; V528-F569 HydrophobicContact CB-CZ 4.24Å; V528-F569 HydrophobicContact CG1-CZ 4Å
529	Q	85.8	Confident	82.1	Confident	28 Å²	28	59.5 Å²	59.5	13%	0.131	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-45	173.3	177.5	67.3	85.4	0	0	111.6	V525 I526 G533 I536 L538 V539	V525-Q529 WeakPolarHBondContact O-CB 3.42Å; V525-Q529 PolarHBondContact O-N 3.34Å; I526-Q529 WeakPolarHBondContact O-CB 3.46Å; I526-Q529 PolarHBondContact O-N 3.47Å; I526-Q529 VanDerWaalsContact O-N 3.11Å; Q529-G533 PolarHBondContact NE2-O 3.49Å; Q529-G533 VanDerWaalsContact NE2-O 3.09Å; Q529-G533 WeakPolarHBondContact O-CA 3.24Å; Q529-G533 PolarHBondContact O-N 2.81Å; Q529-I536 PolarHBondContact NE2-O 3.35Å; Q529-I536 PolarHBondContact OE1-O 3.29Å; Q529-L538 HydrophobicContact CB-CB 4.42Å; Q529-V539 HydrophobicContact CG-CG2 4.1Å
530	E	85.5	Confident	82.2	Confident	140 Å²	140	57.8 Å²	57.8	65%	0.654	31%	0.309	S	S	*	.	H	α-helix	trans	-66.4	-42.4	175.6	-69.7	179.6	177.1	0	0	111.5	I526 L532 G533	I526-E530 WeakPolarHBondContact O-CG 3.36Å; I526-E530 PolarHBondContact O-N 2.65Å; E530-L532 VanDerWaalsContact C-N 3.33Å; E530-L532 PolarHBondContact O-N 3.3Å; E530-G533 PolarHBondContact O-N 2.85Å
531	Q	90	Very high	81.5	Confident	56 Å²	56	60.1 Å²	60.1	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-68.4	-26.7	179.9	-71.3	171.8	52.4	0	0	113.9	E527 V528 S585 K586 Y587	E527-Q531 WeakPolarHBondContact O-CB 3.42Å; E527-Q531 WeakPolarHBondContact O-CG 3.48Å; E527-Q531 PolarHBondContact O-N 3.12Å; E527-Q531 PolarHBondContact O-NE2 2.93Å; V528-Q531 PolarHBondContact O-N 2.98Å; Q531-S585 CarbonylContact O-C 3.49Å; Q531-S585 WeakPolarHBondContact O-CB 3.42Å; Q531-K586 HydrophobicContact CB-CB 4.28Å; Q531-K586 HydrophobicContact CG-CB 4.45Å; Q531-K586 PolarHBondContact O-N 3.4Å; Q531-Y587 HydrophobicContact CB-CD2 4.06Å; Q531-Y587 PolarHBondContact O-N 2.89Å
532	L	88.4	Confident	81.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-89.5	-23.5	170.3	-73.5	168.6	0	0	0	112.8	V528 E530 S535 I536 L538 I574 A576 S585	V528-L532 HydrophobicContact CG1-CD1 3.85Å; V528-L532 HydrophobicContact CG1-CG 4.36Å; V528-L532 WeakPolarHBondContact O-CB 3.48Å; V528-L532 PolarHBondContact O-N 3.1Å; E530-L532 VanDerWaalsContact C-N 3.33Å; E530-L532 PolarHBondContact O-N 3.3Å; L532-S535 PolarHBondContact O-OG 3.44Å; L532-I536 HydrophobicContact CD1-CG2 3.9Å; L532-L538 HydrophobicContact CD1-CD1 4.05Å; L532-I574 HydrophobicContact CD1-CD1 4.01Å; L532-A576 HydrophobicContact CD2-CB 4.16Å; L532-S585 VanDerWaalsContact C-CB 3.45Å; L532-S585 WeakPolarHBondContact O-CB 3.27Å; L532-S585 PolarHBondContact O-OG 2.97Å
533	G	81.8	Confident	81.7	Confident	12 Å²	12	55.8 Å²	55.8	12%	0.124	32%	0.321	C	S	.	.			trans	63.1	-157.6	-169.8	0	0	0	0	0	111.7	Q529 E530 S535	Q529-G533 PolarHBondContact NE2-O 3.49Å; Q529-G533 VanDerWaalsContact NE2-O 3.09Å; Q529-G533 WeakPolarHBondContact O-CA 3.24Å; Q529-G533 PolarHBondContact O-N 2.81Å; E530-G533 PolarHBondContact O-N 2.85Å; G533-S535 PolarHBondContact O-N 3.43Å
534	N	79.8	Confident	82.3	Confident	177 Å²	177	56.1 Å²	56.1	95%	0.947	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	31.2	-174.8	-54.7	6.6	0	0	0	114.1
535	S	83.7	Confident	82.6	Confident	54 Å²	54	54.1 Å²	54.1	38%	0.378	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-15.2	180	56.1	0	0	0	0	114.1	L532 G533 L589	L532-S535 PolarHBondContact O-OG 3.44Å; G533-S535 PolarHBondContact O-N 3.43Å; S535-L589 VanDerWaalsContact O-CD2 3.27Å; S535-L589 WeakPolarHBondContact O-CD2 3.26Å
536	I	84.9	Confident	83	Confident	39 Å²	39	58.5 Å²	58.5	20%	0.2	33%	0.331	C	S	.	.	S	Bend	trans	-159.5	151.5	172.9	179.8	167	0	0	0	108.3	Q529 L532 L538 I574 L589 V592	Q529-I536 PolarHBondContact NE2-O 3.35Å; Q529-I536 PolarHBondContact OE1-O 3.29Å; L532-I536 HydrophobicContact CD1-CG2 3.9Å; I536-L538 HydrophobicContact CB-CD2 4.45Å; I536-L538 HydrophobicContact CD1-CD2 3.84Å; I536-L538 HydrophobicContact CG1-CD2 3.91Å; I536-L538 HydrophobicContact CG2-CD2 3.74Å; I536-L538 HydrophobicContact CG2-CG 4.06Å; I536-I574 HydrophobicContact CD1-CD1 4.22Å; I536-I574 HydrophobicContact CG2-CD1 4.46Å; I536-L589 HydrophobicContact CB-CD2 4.1Å; I536-L589 HydrophobicContact CG2-CD2 4.31Å; I536-V592 HydrophobicContact CD1-CG1 4.36Å; I536-V592 HydrophobicContact CD1-CG2 3.95Å
537	S	84.6	Confident	83.7	Confident	91 Å²	91	58.7 Å²	58.7	64%	0.636	33%	0.33	S	S	*	.			trans	-93	107.1	168.3	-171.7	0	0	0	0	110.4	R543	S537-R543 PolarHBondContact O-NH1 3.01Å
538	L	83.9	Confident	84.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.324	C	S	.	.			trans	-89.7	-18.3	176.7	-58.5	-171.9	0	0	0	113.1	V525 V528 Q529 L532 I536 S540 R543 F569 I574	V525-L538 HydrophobicContact CG1-CB 3.69Å; V525-L538 WeakPolarHBondContact CG1-O 3.32Å; V528-L538 HydrophobicContact CB-CD1 3.98Å; V528-L538 HydrophobicContact CG1-CD1 3.66Å; Q529-L538 HydrophobicContact CB-CB 4.42Å; L532-L538 HydrophobicContact CD1-CD1 4.05Å; I536-L538 HydrophobicContact CB-CD2 4.45Å; I536-L538 HydrophobicContact CD1-CD2 3.84Å; I536-L538 HydrophobicContact CG1-CD2 3.91Å; I536-L538 HydrophobicContact CG2-CD2 3.74Å; I536-L538 HydrophobicContact CG2-CG 4.06Å; L538-S540 PolarHBondContact O-N 2.82Å; L538-R543 VanDerWaalsContact C-NH1 3.27Å; L538-R543 WeakPolarHBondContact O-CD 3.02Å; L538-R543 PolarHBondContact O-NH1 3.44Å; L538-F569 HydrophobicContact CD1-CE1 4.49Å; L538-F569 HydrophobicContact CD1-CE2 4.39Å; L538-F569 HydrophobicContact CD1-CZ 3.77Å; L538-I574 HydrophobicContact CD1-CD1 4.44Å; L538-I574 HydrophobicContact CD2-CD1 3.61Å
539	V	73.9	Confident	84.5	Confident	68 Å²	68	56.8 Å²	56.8	41%	0.412	33%	0.331	S	S	.	.			trans	-76.7	93.7	-171.9	-167	0	0	0	0	110.7	F522 I526 Q529	F522-V539 HydrophobicContact CE2-CG1 3.87Å; F522-V539 HydrophobicContact CZ-CG1 3.59Å; I526-V539 HydrophobicContact CD1-CG1 4.04Å; I526-V539 HydrophobicContact CD1-CG2 3.7Å; Q529-V539 HydrophobicContact CG-CG2 4.1Å
540	S	69.2	Low	84.9	Confident	33 Å²	33	58.5 Å²	58.5	23%	0.231	35%	0.346	C	S	.	.			trans	-132.8	152.9	174.2	61.4	0	0	0	0	112.2	L538 G542 R543	L538-S540 PolarHBondContact O-N 2.82Å; S540-G542 PolarHBondContact O-N 2.71Å; S540-G542 VanDerWaalsContact O-N 3.13Å; S540-R543 PolarHBondContact O-N 3.16Å; S540-R543 VanDerWaalsContact OG-CB 3.25Å; S540-R543 WeakPolarHBondContact OG-CB 3.43Å; S540-R543 PolarHBondContact OG-NH1 2.78Å
541	P	61.9	Low	85.4	Confident	137 Å²	137	52 Å²	52	89%	0.89	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	113	176.2	-20.3	33.2	0	0	0	111.3
542	G	69	Low	85.7	Confident	31 Å²	31	52 Å²	52	32%	0.32	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	2.8	174.6	0	0	0	0	0	116.2	S540 N570	S540-G542 PolarHBondContact O-N 2.71Å; S540-G542 VanDerWaalsContact O-N 3.13Å; G542-N570 PolarHBondContact O-ND2 3.03Å
543	R	85.5	Confident	86	Confident	34 Å²	34	53.7 Å²	53.7	13%	0.128	32%	0.324	C	S	.	.			trans	-71.5	135.5	163.6	-178.2	172.2	-63.9	134.5	-5.4	109.9	V525 S537 L538 S540 F569 N570 D571	V525-R543 HydrophobicContact CG2-CG 4.45Å; V525-R543 WeakPolarHBondContact CG2-O 3.5Å; S537-R543 PolarHBondContact O-NH1 3.01Å; L538-R543 VanDerWaalsContact C-NH1 3.27Å; L538-R543 WeakPolarHBondContact O-CD 3.02Å; L538-R543 PolarHBondContact O-NH1 3.44Å; S540-R543 PolarHBondContact O-N 3.16Å; S540-R543 VanDerWaalsContact OG-CB 3.25Å; S540-R543 WeakPolarHBondContact OG-CB 3.43Å; S540-R543 PolarHBondContact OG-NH1 2.78Å; R543-F569 HydrophobicContact CG-CB 4.06Å; R543-F569 HydrophobicContact CG-CD1 3.67Å; R543-F569 HydrophobicContact CG-CE1 4.48Å; R543-F569 HydrophobicContact CG-CG 4.1Å; R543-N570 WeakPolarHBondContact CA-OD1 3.25Å; R543-D571 WeakPolarHBondContact CD-OD1 2.9Å; R543-D571 WeakPolarHBondContact CG-OD1 3.27Å; R543-D571 IonicContact CZ-OD1 2.63Å; R543-D571 IonicContact CZ-OD2 3.41Å; R543-D571 VanDerWaalsContact NE-CG 3.29Å; R543-D571 IonicContact NE-OD1 3.57Å; R543-D571 PolarHBondContact NE-OD1 2.82Å; R543-D571 IonicContact NE-OD2 3.71Å; R543-D571 PolarHBondContact NE-OD2 3.29Å; R543-D571 IonicContact NH2-OD1 2.73Å; R543-D571 IonicContact NH2-OD2 3.01Å; R543-D571 PolarHBondContact NH2-OD2 3.17Å
544	E	88.4	Confident	86.5	Confident	32 Å²	32	53.5 Å²	53.5	15%	0.15	32%	0.319	C	S	.	.			trans	-137.6	135.3	-178.4	-59.2	-170.5	158.7	0	0	109.8	R521 L546 F569 N570	R521-E544 HydrophobicContact CB-CB 4.29Å; R521-E544 HydrophobicContact CB-CG 4.09Å; R521-E544 WeakPolarHBondContact CD-OE1 3.38Å; R521-E544 WeakPolarHBondContact CD-OE2 3.23Å; R521-E544 IonicContact CZ-OE1 2.74Å; R521-E544 IonicContact CZ-OE2 3.86Å; R521-E544 IonicContact NE-OE2 2.98Å; R521-E544 VanDerWaalsContact NH1-CD 3.29Å; R521-E544 IonicContact NH1-OE1 3.19Å; R521-E544 PolarHBondContact NH1-OE1 2.85Å; R521-E544 IonicContact NH1-OE2 2.96Å; R521-E544 PolarHBondContact NH1-OE2 2.94Å; E544-L546 PolarHBondContact O-N 3.06Å; E544-F569 CarbonylContact O-C 3.36Å; E544-F569 WeakPolarHBondContact O-CA 3.46Å; E544-N570 PolarHBondContact N-OD1 3.03Å; E544-N570 PolarHBondContact O-N 3.39Å; E544-N570 VanDerWaalsContact O-N 3.08Å; E544-N570 PolarHBondContact O-OD1 2.76Å
545	L	93.7	Very high	86.9	Confident	36 Å²	36	45.5 Å²	45.5	19%	0.188	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116.9	174.5	-178.6	71.4	0	0	0	109.5	K524 V528 F567 F569	K524-L545 HydrophobicContact CB-CB 4.33Å; K524-L545 HydrophobicContact CB-CD2 4.26Å; V528-L545 HydrophobicContact CG2-CD2 3.95Å; L545-F567 HydrophobicContact CD1-CB 4.02Å; L545-F567 HydrophobicContact CD1-CD1 4.21Å; L545-F569 HydrophobicContact CB-CD1 4.06Å; L545-F569 HydrophobicContact CB-CE1 3.9Å; L545-F569 HydrophobicContact CD1-CD1 4.09Å; L545-F569 HydrophobicContact CD1-CD2 4.47Å; L545-F569 HydrophobicContact CD1-CE1 3.76Å; L545-F569 HydrophobicContact CD1-CE2 4.18Å; L545-F569 HydrophobicContact CD1-CG 4.44Å; L545-F569 HydrophobicContact CD1-CZ 3.8Å; L545-F569 HydrophobicContact CG-CE1 4.42Å
546	L	94.9	Very high	86.7	Confident	93 Å²	93	47.1 Å²	47.1	49%	0.487	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-44.5	-178.4	-59	-177	0	0	0	112.7	E544 L568 N570 I646	E544-L546 PolarHBondContact O-N 3.06Å; L546-L568 HydrophobicContact CB-CD2 4.47Å; L546-L568 HydrophobicContact CB-CG 4.37Å; L546-L568 PolarHBondContact N-O 2.78Å; L546-N570 HydrophobicContact CD1-CB 4.09Å; L546-N570 HydrophobicContact CD2-CB 4.4Å; L546-N570 HydrophobicContact CG-CB 4.29Å; L546-I646 HydrophobicContact CD1-CG2 3.65Å
547	K	96.1	Very high	86.5	Confident	58 Å²	58	50.6 Å²	50.6	25%	0.252	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	151	-174.9	-166.8	179.4	177.9	-173.3	0	110.8	L568 D638 W639	K547-L568 HydrophobicContact CB-CB 4.08Å; K547-L568 HydrophobicContact CB-CD2 3.92Å; K547-L568 PolarHBondContact N-O 3.47Å; K547-L568 VanDerWaalsContact N-O 3.16Å; K547-L568 WeakPolarHBondContact O-CB 3.42Å; K547-L568 PolarHBondContact O-N 2.81Å; K547-D638 PolarHBondContact NZ-O 2.94Å; K547-W639 HydrophobicContact CB-CH2 4.35Å; K547-W639 HydrophobicContact CB-CZ3 4.13Å; K547-W639 HydrophobicContact CD-CD2 4.33Å; K547-W639 HydrophobicContact CD-CE3 3.83Å; K547-W639 HydrophobicContact CD-CH2 3.9Å; K547-W639 HydrophobicContact CD-CZ2 4.39Å; K547-W639 HydrophobicContact CD-CZ3 3.59Å; K547-W639 HydrophobicContact CG-CH2 3.75Å; K547-W639 HydrophobicContact CG-CZ2 4.44Å; K547-W639 HydrophobicContact CG-CZ3 3.8Å
548	S	96.7	Very high	86.4	Confident	56 Å²	56	50 Å²	50	39%	0.392	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	161.4	169.8	63.9	0	0	0	0	111.1	I566	S548-I566 WeakPolarHBondContact CA-O 3.44Å; S548-I566 VanDerWaalsContact CB-O 3.28Å; S548-I566 WeakPolarHBondContact CB-O 3.43Å
549	G	96.3	Very high	86.2	Confident	16 Å²	16	52.4 Å²	52.4	17%	0.165	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160	168.9	179.4	0	0	0	0	0	114.4	F565 I566	G549-F565 WeakPolarHBondContact O-CA 3.41Å; G549-I566 PolarHBondContact N-O 2.93Å; G549-I566 VanDerWaalsContact N-O 3.15Å; G549-I566 PolarHBondContact O-N 2.85Å
550	S	95.6	Very high	86.8	Confident	64 Å²	64	56.3 Å²	56.3	45%	0.448	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	146.7	178	-66.8	0	0	0	0	112.8	E563 R564	S550-E563 PolarHBondContact OG-OE1 2.87Å; S550-R564 CarbonylContact C-O 3.49Å; S550-R564 VanDerWaalsContact CA-O 3.27Å; S550-R564 WeakPolarHBondContact CA-O 3.43Å
551	V	95.9	Very high	87.8	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.03	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.1	169.5	-64.6	0	0	0	0	109.5	R564 I566 L575 L628 T630	V551-R564 HydrophobicContact CG2-CB 4.07Å; V551-R564 PolarHBondContact N-O 2.87Å; V551-R564 PolarHBondContact O-N 3.42Å; V551-I566 HydrophobicContact CB-CD1 4.35Å; V551-I566 HydrophobicContact CG1-CD1 3.57Å; V551-I566 HydrophobicContact CG1-CG1 4.26Å; V551-I566 HydrophobicContact CG2-CD1 3.83Å; V551-I566 HydrophobicContact CG2-CG1 3.81Å; V551-L575 HydrophobicContact CG2-CD2 4.43Å; V551-L628 HydrophobicContact CG2-CD2 3.97Å; V551-T630 HydrophobicContact CG1-CG2 4.3Å
552	Q	95.4	Very high	89.3	Confident	56 Å²	56	55 Å²	55	26%	0.262	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.2	169.7	-61.6	-61.2	-40	0	0	109.8	T561 L628 F629	Q552-T561 HydrophobicContact CB-CG2 4.28Å; Q552-L628 CarbonylContact O-C 3.55Å; Q552-L628 WeakPolarHBondContact O-CA 3.39Å; Q552-F629 HydrophobicContact CB-CB 4.38Å; Q552-F629 HydrophobicContact CB-CD1 4.08Å; Q552-F629 HydrophobicContact CG-CD1 4.31Å; Q552-F629 PolarHBondContact N-O 3.48Å; Q552-F629 PolarHBondContact O-N 2.77Å
553	K	95.6	Very high	90.6	Very high	36 Å²	36	59.3 Å²	59.3	16%	0.157	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.9	167.2	164.3	-92.6	-177.1	-179.8	0	108.8	T561 E562 R564 V626 E627 L628	K553-T561 CarbonylContact O-C 3.5Å; K553-E562 HydrophobicContact CD-CB 4.12Å; K553-E562 HydrophobicContact CD-CG 4.38Å; K553-E562 WeakPolarHBondContact CD-OE2 3.39Å; K553-E562 PolarHBondContact N-O 3.22Å; K553-E562 IonicContact NZ-OE1 3.82Å; K553-E562 PolarHBondContact NZ-OE1 3.03Å; K553-E562 IonicContact NZ-OE2 2.71Å; K553-E562 PolarHBondContact NZ-OE2 3.3Å; K553-E562 PolarHBondContact O-N 3.07Å; K553-R564 HydrophobicContact CB-CG 3.59Å; K553-R564 HydrophobicContact CG-CG 4.49Å; K553-V626 HydrophobicContact CB-CG1 4.44Å; K553-V626 HydrophobicContact CG-CG1 3.72Å; K553-E627 WeakPolarHBondContact CA-O 3.29Å; K553-L628 HydrophobicContact CB-CD2 3.95Å
554	I	92.1	Very high	91	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.5	171.1	-46.2	-55.3	0	0	0	109.3	S556 T561 E627 F629	I554-S556 PolarHBondContact O-N 2.92Å; I554-T561 HydrophobicContact CD1-CG2 3.73Å; I554-E627 HydrophobicContact CB-CB 4.03Å; I554-E627 HydrophobicContact CB-CG 4.35Å; I554-E627 HydrophobicContact CG1-CB 4.14Å; I554-E627 HydrophobicContact CG1-CG 3.98Å; I554-E627 PolarHBondContact N-O 3.16Å; I554-F629 HydrophobicContact CD1-CB 4.18Å
555	S	88	Confident	91.4	Very high	10 Å²	10	58.9 Å²	58.9	7%	0.07	32%	0.321	C	S	.	.			trans	-74.7	115.9	168.4	-178.2	0	0	0	0	110.9	T557 T558 E559 K560 E562	S555-T557 PolarHBondContact O-N 3.39Å; S555-T558 WeakPolarHBondContact CB-OG1 3.38Å; S555-T558 PolarHBondContact O-N 2.86Å; S555-T558 PolarHBondContact OG-N 3.49Å; S555-T558 PolarHBondContact OG-OG1 2.84Å; S555-E559 WeakPolarHBondContact O-CA 3.29Å; S555-E559 PolarHBondContact O-N 3.38Å; S555-K560 WeakPolarHBondContact CB-O 3.45Å; S555-K560 PolarHBondContact N-O 2.81Å; S555-E562 WeakPolarHBondContact CB-OE1 3.42Å
556	S	79.9	Confident	91.6	Very high	88 Å²	88	57.1 Å²	57.1	62%	0.615	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.1	174.7	51.9	0	0	0	0	113.2	I554 R821	I554-S556 PolarHBondContact O-N 2.92Å; S556-R821 PolarHBondContact O-NH1 2.77Å
557	T	80.3	Confident	91.8	Very high	111 Å²	111	52.9 Å²	52.9	68%	0.681	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-26	-177.3	-50.5	0	0	0	0	113.5	S555	S555-T557 PolarHBondContact O-N 3.39Å
558	T	82.3	Confident	91.9	Very high	78 Å²	78	50.2 Å²	50.2	48%	0.479	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	0.3	-172.8	59.9	0	0	0	0	114.8	S555 K560	S555-T558 WeakPolarHBondContact CB-OG1 3.38Å; S555-T558 PolarHBondContact O-N 2.86Å; S555-T558 PolarHBondContact OG-N 3.49Å; S555-T558 PolarHBondContact OG-OG1 2.84Å; T558-K560 PolarHBondContact O-N 2.87Å
559	E	80.7	Confident	91.9	Very high	51 Å²	51	47.5 Å²	47.5	24%	0.238	26%	0.259	C	S	.	.			trans	54.1	-0.6	-174.9	-53.3	-155.2	148.5	0	0	116.5	S555 S766 L767	S555-E559 WeakPolarHBondContact O-CA 3.29Å; S555-E559 PolarHBondContact O-N 3.38Å; E559-S766 PolarHBondContact OE1-OG 3.17Å; E559-S766 WeakPolarHBondContact OE2-CB 3.1Å; E559-S766 PolarHBondContact OE2-OG 3.2Å; E559-L767 HydrophobicContact CB-CD2 4.46Å
560	K	86.5	Confident	91.7	Very high	150 Å²	150	48.9 Å²	48.9	65%	0.652	26%	0.263	S	S	*	.			trans	-70.6	143.1	177.3	-67.3	179	-175.6	-177.6	0	111.7	S555 T558	S555-K560 WeakPolarHBondContact CB-O 3.45Å; S555-K560 PolarHBondContact N-O 2.81Å; T558-K560 PolarHBondContact O-N 2.87Å
561	T	89.9	Confident	91.5	Very high	85 Å²	85	47.9 Å²	47.9	52%	0.521	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.5	167	49.1	0	0	0	0	110.8	Q552 K553 I554	Q552-T561 HydrophobicContact CB-CG2 4.28Å; K553-T561 CarbonylContact O-C 3.5Å; I554-T561 HydrophobicContact CD1-CG2 3.73Å
562	E	93.2	Very high	91.5	Very high	59 Å²	59	48.3 Å²	48.3	28%	0.276	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.8	172.4	-59.9	169.3	-155	0	0	109.5	K553 S555 R564	K553-E562 HydrophobicContact CD-CB 4.12Å; K553-E562 HydrophobicContact CD-CG 4.38Å; K553-E562 WeakPolarHBondContact CD-OE2 3.39Å; K553-E562 PolarHBondContact N-O 3.22Å; K553-E562 IonicContact NZ-OE1 3.82Å; K553-E562 PolarHBondContact NZ-OE1 3.03Å; K553-E562 IonicContact NZ-OE2 2.71Å; K553-E562 PolarHBondContact NZ-OE2 3.3Å; K553-E562 PolarHBondContact O-N 3.07Å; S555-E562 WeakPolarHBondContact CB-OE1 3.42Å; E562-R564 PolarHBondContact O-N 2.95Å; E562-R564 IonicContact OE2-CZ 2.72Å; E562-R564 IonicContact OE2-NH1 2.69Å; E562-R564 PolarHBondContact OE2-NH1 3.11Å; E562-R564 IonicContact OE2-NH2 3.14Å; E562-R564 PolarHBondContact OE2-NH2 2.88Å
563	E	94.8	Very high	91.6	Very high	120 Å²	120	45.6 Å²	45.6	56%	0.561	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	139.2	178.4	-173.1	170.9	-158.1	0	0	111.8	S550	S550-E563 PolarHBondContact OG-OE1 2.87Å
564	R	95.8	Very high	91.6	Very high	22 Å²	22	43.9 Å²	43.9	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.8	174.7	-70.7	-62.2	-176.3	-77	-3.7	110.3	S550 V551 K553 E562 L575 A576	S550-R564 CarbonylContact C-O 3.49Å; S550-R564 VanDerWaalsContact CA-O 3.27Å; S550-R564 WeakPolarHBondContact CA-O 3.43Å; V551-R564 HydrophobicContact CG2-CB 4.07Å; V551-R564 PolarHBondContact N-O 2.87Å; V551-R564 PolarHBondContact O-N 3.42Å; K553-R564 HydrophobicContact CB-CG 3.59Å; K553-R564 HydrophobicContact CG-CG 4.49Å; E562-R564 PolarHBondContact O-N 2.95Å; E562-R564 IonicContact OE2-CZ 2.72Å; E562-R564 IonicContact OE2-NH1 2.69Å; E562-R564 PolarHBondContact OE2-NH1 3.11Å; E562-R564 IonicContact OE2-NH2 3.14Å; E562-R564 PolarHBondContact OE2-NH2 2.88Å; R564-L575 HydrophobicContact CB-CD2 4.35Å; R564-A576 CarbonylContact C-O 3.49Å; R564-A576 VanDerWaalsContact CA-O 3.29Å; R564-A576 WeakPolarHBondContact CA-O 3.28Å; R564-A576 WeakPolarHBondContact CD-O 3.33Å
565	F	96.7	Very high	91.9	Very high	35 Å²	35	43.8 Å²	43.8	15%	0.154	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.3	170	-154.7	-100.4	0	0	0	108.4	G549 F567 A576 Y587	G549-F565 WeakPolarHBondContact O-CA 3.41Å; F565-F567 HydrophobicContact CD1-CD1 4.32Å; F565-F567 HydrophobicContact CD1-CD2 4.27Å; F565-F567 AromaticContact CD1-CE1 3.83Å; F565-F567 HydrophobicContact CD1-CE1 3.83Å; F565-F567 AromaticContact CD1-CE2 3.78Å; F565-F567 HydrophobicContact CD1-CE2 3.78Å; F565-F567 AromaticContact CD1-CZ 3.54Å; F565-F567 HydrophobicContact CD1-CZ 3.54Å; F565-F567 HydrophobicContact CE1-CD1 4.17Å; F565-F567 AromaticContact CE1-CE1 3.62Å; F565-F567 HydrophobicContact CE1-CE1 3.62Å; F565-F567 HydrophobicContact CE1-CE2 4.42Å; F565-F567 AromaticContact CE1-CZ 3.76Å; F565-F567 HydrophobicContact CE1-CZ 3.76Å; F565-A576 PolarHBondContact N-O 2.69Å; F565-A576 PolarHBondContact O-N 2.81Å; F565-Y587 HydrophobicContact CB-CD1 4.24Å; F565-Y587 HydrophobicContact CB-CE1 3.8Å; F565-Y587 HydrophobicContact CD1-CE1 4.15Å; F565-Y587 HydrophobicContact CD1-CE2 4.48Å; F565-Y587 AromaticContact CD1-CZ 3.96Å; F565-Y587 HydrophobicContact CD2-CE1 4.31Å; F565-Y587 AromaticContact CG-CE1 3.84Å; F565-Y587 HydrophobicContact CG-CE1 3.84Å
566	I	97.7	Very high	92.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	137.7	170.3	-68	170.9	0	0	0	108.9	S548 G549 V551 L568 V573 I574 L575 L628 W639	S548-I566 WeakPolarHBondContact CA-O 3.44Å; S548-I566 VanDerWaalsContact CB-O 3.28Å; S548-I566 WeakPolarHBondContact CB-O 3.43Å; G549-I566 PolarHBondContact N-O 2.93Å; G549-I566 VanDerWaalsContact N-O 3.15Å; G549-I566 PolarHBondContact O-N 2.85Å; V551-I566 HydrophobicContact CB-CD1 4.35Å; V551-I566 HydrophobicContact CG1-CD1 3.57Å; V551-I566 HydrophobicContact CG1-CG1 4.26Å; V551-I566 HydrophobicContact CG2-CD1 3.83Å; V551-I566 HydrophobicContact CG2-CG1 3.81Å; I566-L568 HydrophobicContact CG2-CB 4.28Å; I566-V573 HydrophobicContact CG2-CG1 3.96Å; I566-I574 CarbonylContact C-O 3.57Å; I566-I574 VanDerWaalsContact CA-O 3.32Å; I566-I574 WeakPolarHBondContact CA-O 3.17Å; I566-L575 HydrophobicContact CG1-CD2 3.64Å; I566-L628 HydrophobicContact CD1-CD1 4.28Å; I566-W639 HydrophobicContact CB-CH2 3.67Å; I566-W639 HydrophobicContact CB-CZ2 4.17Å; I566-W639 HydrophobicContact CB-CZ3 3.98Å; I566-W639 HydrophobicContact CD1-CD2 3.95Å; I566-W639 HydrophobicContact CD1-CE3 3.93Å; I566-W639 HydrophobicContact CD1-CH2 4.18Å; I566-W639 HydrophobicContact CD1-CZ2 4.18Å; I566-W639 HydrophobicContact CD1-CZ3 4.06Å; I566-W639 HydrophobicContact CG2-CE3 4.24Å; I566-W639 HydrophobicContact CG2-CH2 3.6Å; I566-W639 HydrophobicContact CG2-CZ3 3.43Å; I566-W639 VanDerWaalsContact CG2-CZ3 3.43Å
567	F	97.7	Very high	93	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.1	151.4	-55.4	-87.9	0	0	0	108.4	V528 L545 F565 F569 V573 I574 A576 Y587	V528-F567 HydrophobicContact CB-CD1 4.36Å; V528-F567 HydrophobicContact CB-CE1 4.31Å; V528-F567 HydrophobicContact CG1-CD1 3.65Å; V528-F567 HydrophobicContact CG1-CD2 4.08Å; V528-F567 HydrophobicContact CG1-CE1 3.67Å; V528-F567 HydrophobicContact CG1-CE2 4.1Å; V528-F567 HydrophobicContact CG1-CG 3.85Å; V528-F567 HydrophobicContact CG1-CZ 3.9Å; V528-F567 HydrophobicContact CG2-CD1 3.64Å; V528-F567 HydrophobicContact CG2-CE1 3.61Å; L545-F567 HydrophobicContact CD1-CB 4.02Å; L545-F567 HydrophobicContact CD1-CD1 4.21Å; F565-F567 HydrophobicContact CD1-CD1 4.32Å; F565-F567 HydrophobicContact CD1-CD2 4.27Å; F565-F567 AromaticContact CD1-CE1 3.83Å; F565-F567 HydrophobicContact CD1-CE1 3.83Å; F565-F567 AromaticContact CD1-CE2 3.78Å; F565-F567 HydrophobicContact CD1-CE2 3.78Å; F565-F567 AromaticContact CD1-CZ 3.54Å; F565-F567 HydrophobicContact CD1-CZ 3.54Å; F565-F567 HydrophobicContact CE1-CD1 4.17Å; F565-F567 AromaticContact CE1-CE1 3.62Å; F565-F567 HydrophobicContact CE1-CE1 3.62Å; F565-F567 HydrophobicContact CE1-CE2 4.42Å; F565-F567 AromaticContact CE1-CZ 3.76Å; F565-F567 HydrophobicContact CE1-CZ 3.76Å; F567-F569 HydrophobicContact CB-CD2 4.31Å; F567-F569 HydrophobicContact CB-CE2 3.58Å; F567-F569 HydrophobicContact CB-CZ 4.16Å; F567-V573 WeakPolarHBondContact O-CA 3.35Å; F567-I574 HydrophobicContact CB-CB 4.24Å; F567-I574 HydrophobicContact CD2-CB 4.34Å; F567-I574 HydrophobicContact CD2-CG2 4.36Å; F567-I574 PolarHBondContact N-O 2.9Å; F567-I574 PolarHBondContact O-N 3.23Å; F567-A576 HydrophobicContact CE2-CB 4.31Å; F567-Y587 HydrophobicContact CE2-CD2 4.12Å; F567-Y587 HydrophobicContact CE2-CE2 4.48Å; F567-Y587 HydrophobicContact CE2-CG 4.31Å; F567-Y587 AromaticContact CZ-CD2 3.64Å; F567-Y587 HydrophobicContact CZ-CD2 3.64Å; F567-Y587 AromaticContact CZ-CE2 3.69Å; F567-Y587 HydrophobicContact CZ-CE2 3.69Å; F567-Y587 HydrophobicContact CZ-CG 4.27Å
568	L	98.1	Very high	93.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.3	175.4	176.5	69.3	0	0	0	107.9	L546 K547 I566 V573 W639 I643 I646	L546-L568 HydrophobicContact CB-CD2 4.47Å; L546-L568 HydrophobicContact CB-CG 4.37Å; L546-L568 PolarHBondContact N-O 2.78Å; K547-L568 HydrophobicContact CB-CB 4.08Å; K547-L568 HydrophobicContact CB-CD2 3.92Å; K547-L568 PolarHBondContact N-O 3.47Å; K547-L568 VanDerWaalsContact N-O 3.16Å; K547-L568 WeakPolarHBondContact O-CB 3.42Å; K547-L568 PolarHBondContact O-N 2.81Å; I566-L568 HydrophobicContact CG2-CB 4.28Å; L568-V573 HydrophobicContact CD1-CG2 3.7Å; L568-W639 HydrophobicContact CB-CZ3 4.15Å; L568-W639 HydrophobicContact CD2-CZ3 4.49Å; L568-I643 HydrophobicContact CD1-CG1 3.9Å; L568-I646 HydrophobicContact CD1-CD1 3.39Å; L568-I646 HydrophobicContact CD1-CG1 4.21Å
569	F	96.5	Very high	93.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	172.1	169	-60.6	-91.6	0	0	0	109.6	V525 V528 L538 R543 E544 L545 F567 D571 L572 I574 I646	V525-F569 HydrophobicContact CG1-CE1 4.28Å; V525-F569 HydrophobicContact CG2-CD1 4.36Å; V525-F569 HydrophobicContact CG2-CE1 4.1Å; V528-F569 HydrophobicContact CB-CZ 4.24Å; V528-F569 HydrophobicContact CG1-CZ 4Å; L538-F569 HydrophobicContact CD1-CE1 4.49Å; L538-F569 HydrophobicContact CD1-CE2 4.39Å; L538-F569 HydrophobicContact CD1-CZ 3.77Å; R543-F569 HydrophobicContact CG-CB 4.06Å; R543-F569 HydrophobicContact CG-CD1 3.67Å; R543-F569 HydrophobicContact CG-CE1 4.48Å; R543-F569 HydrophobicContact CG-CG 4.1Å; E544-F569 CarbonylContact O-C 3.36Å; E544-F569 WeakPolarHBondContact O-CA 3.46Å; L545-F569 HydrophobicContact CB-CD1 4.06Å; L545-F569 HydrophobicContact CB-CE1 3.9Å; L545-F569 HydrophobicContact CD1-CD1 4.09Å; L545-F569 HydrophobicContact CD1-CD2 4.47Å; L545-F569 HydrophobicContact CD1-CE1 3.76Å; L545-F569 HydrophobicContact CD1-CE2 4.18Å; L545-F569 HydrophobicContact CD1-CG 4.44Å; L545-F569 HydrophobicContact CD1-CZ 3.8Å; L545-F569 HydrophobicContact CG-CE1 4.42Å; F567-F569 HydrophobicContact CB-CD2 4.31Å; F567-F569 HydrophobicContact CB-CE2 3.58Å; F567-F569 HydrophobicContact CB-CZ 4.16Å; F569-D571 PolarHBondContact O-N 3.19Å; F569-L572 HydrophobicContact CB-CD1 4.5Å; F569-L572 HydrophobicContact CB-CG 4.36Å; F569-L572 HydrophobicContact CD2-CD1 3.57Å; F569-L572 HydrophobicContact CD2-CG 4.31Å; F569-L572 HydrophobicContact CE2-CD1 4.19Å; F569-L572 HydrophobicContact CG-CD1 4.33Å; F569-L572 PolarHBondContact N-O 3.27Å; F569-I574 HydrophobicContact CD2-CD1 4.47Å; F569-I574 HydrophobicContact CD2-CG1 4.48Å; F569-I574 HydrophobicContact CE2-CD1 3.79Å; F569-I574 HydrophobicContact CE2-CG1 4.14Å; F569-I646 WeakPolarHBondContact O-CD1 3.14Å
570	N	93	Very high	93.7	Very high	45 Å²	45	47 Å²	47	24%	0.241	22%	0.22	C	C	.	.	S	Bend	trans	-66.6	-19.7	173.7	58.2	-25.2	0	0	0	114.1	G542 R543 E544 L546	G542-N570 PolarHBondContact O-ND2 3.03Å; R543-N570 WeakPolarHBondContact CA-OD1 3.25Å; E544-N570 PolarHBondContact N-OD1 3.03Å; E544-N570 PolarHBondContact O-N 3.39Å; E544-N570 VanDerWaalsContact O-N 3.08Å; E544-N570 PolarHBondContact O-OD1 2.76Å; L546-N570 HydrophobicContact CD1-CB 4.09Å; L546-N570 HydrophobicContact CD2-CB 4.4Å; L546-N570 HydrophobicContact CG-CB 4.29Å
571	D	92.2	Very high	93.2	Very high	43 Å²	43	46 Å²	46	23%	0.23	22%	0.219	C	C	.	.	S	Bend	trans	-117.7	-14.8	-177.5	69.5	-34.5	0	0	0	115.1	R543 F569 A595	R543-D571 WeakPolarHBondContact CD-OD1 2.9Å; R543-D571 WeakPolarHBondContact CG-OD1 3.27Å; R543-D571 IonicContact CZ-OD1 2.63Å; R543-D571 IonicContact CZ-OD2 3.41Å; R543-D571 VanDerWaalsContact NE-CG 3.29Å; R543-D571 IonicContact NE-OD1 3.57Å; R543-D571 PolarHBondContact NE-OD1 2.82Å; R543-D571 IonicContact NE-OD2 3.71Å; R543-D571 PolarHBondContact NE-OD2 3.29Å; R543-D571 IonicContact NH2-OD1 2.73Å; R543-D571 IonicContact NH2-OD2 3.01Å; R543-D571 PolarHBondContact NH2-OD2 3.17Å; F569-D571 PolarHBondContact O-N 3.19Å; D571-A595 VanDerWaalsContact O-CB 3.25Å; D571-A595 WeakPolarHBondContact O-CB 3.39Å; D571-A595 PolarHBondContact O-N 3.5Å
572	L	94.7	Very high	92.1	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.068	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160.2	-176.6	61.9	88.6	0	0	0	114.6	F569 I574 V592 F593	F569-L572 HydrophobicContact CB-CD1 4.5Å; F569-L572 HydrophobicContact CB-CG 4.36Å; F569-L572 HydrophobicContact CD2-CD1 3.57Å; F569-L572 HydrophobicContact CD2-CG 4.31Å; F569-L572 HydrophobicContact CE2-CD1 4.19Å; F569-L572 HydrophobicContact CG-CD1 4.33Å; F569-L572 PolarHBondContact N-O 3.27Å; L572-I574 HydrophobicContact CD1-CD1 3.81Å; L572-I574 HydrophobicContact CD1-CG1 3.39Å; L572-V592 HydrophobicContact CD1-CG1 4.25Å; L572-F593 CarbonylContact C-O 3.58Å; L572-F593 WeakPolarHBondContact CA-O 3.43Å; L572-F593 VanDerWaalsContact CB-O 3.29Å; L572-F593 WeakPolarHBondContact CB-O 3.4Å
573	V	97.5	Very high	90.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129	172.5	-172.6	0	0	0	0	109.7	I566 F567 L568 V592 F593 M598 L614 I643 I646	I566-V573 HydrophobicContact CG2-CG1 3.96Å; F567-V573 WeakPolarHBondContact O-CA 3.35Å; L568-V573 HydrophobicContact CD1-CG2 3.7Å; V573-V592 CarbonylContact O-C 3.58Å; V573-V592 WeakPolarHBondContact O-CA 3.43Å; V573-F593 HydrophobicContact CB-CB 4.33Å; V573-F593 HydrophobicContact CB-CD2 4.47Å; V573-F593 PolarHBondContact N-O 2.89Å; V573-F593 PolarHBondContact O-N 2.88Å; V573-M598 HydrophobicContact CB-SD 4.34Å; V573-M598 HydrophobicContact CG2-CE 3.53Å; V573-M598 HydrophobicContact CG2-SD 3.65Å; V573-L614 HydrophobicContact CG1-CD1 4.07Å; V573-I643 HydrophobicContact CG2-CG1 4.34Å; V573-I646 HydrophobicContact CG2-CD1 4.15Å
574	I	96.8	Very high	89.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.3	172.9	-55.9	-172.4	0	0	0	109.8	L532 I536 L538 I566 F567 F569 L572 L589 V592	L532-I574 HydrophobicContact CD1-CD1 4.01Å; I536-I574 HydrophobicContact CD1-CD1 4.22Å; I536-I574 HydrophobicContact CG2-CD1 4.46Å; L538-I574 HydrophobicContact CD1-CD1 4.44Å; L538-I574 HydrophobicContact CD2-CD1 3.61Å; I566-I574 CarbonylContact C-O 3.57Å; I566-I574 VanDerWaalsContact CA-O 3.32Å; I566-I574 WeakPolarHBondContact CA-O 3.17Å; F567-I574 HydrophobicContact CB-CB 4.24Å; F567-I574 HydrophobicContact CD2-CB 4.34Å; F567-I574 HydrophobicContact CD2-CG2 4.36Å; F567-I574 PolarHBondContact N-O 2.9Å; F567-I574 PolarHBondContact O-N 3.23Å; F569-I574 HydrophobicContact CD2-CD1 4.47Å; F569-I574 HydrophobicContact CD2-CG1 4.48Å; F569-I574 HydrophobicContact CE2-CD1 3.79Å; F569-I574 HydrophobicContact CE2-CG1 4.14Å; L572-I574 HydrophobicContact CD1-CD1 3.81Å; L572-I574 HydrophobicContact CD1-CG1 3.39Å; I574-L589 HydrophobicContact CG2-CD1 3.34Å; I574-V592 HydrophobicContact CG1-CG2 4.45Å
575	L	97	Very high	89	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.8	160.6	-68.9	175.7	0	0	0	109.9	V551 R564 I566 R590 A591 F593 V626 L628	V551-L575 HydrophobicContact CG2-CD2 4.43Å; R564-L575 HydrophobicContact CB-CD2 4.35Å; I566-L575 HydrophobicContact CG1-CD2 3.64Å; L575-R590 WeakPolarHBondContact O-CA 3.25Å; L575-R590 WeakPolarHBondContact O-CB 3.2Å; L575-R590 PolarHBondContact O-N 2.77Å; L575-A591 HydrophobicContact CB-CB 4.29Å; L575-A591 HydrophobicContact CD1-CB 4.43Å; L575-A591 PolarHBondContact N-O 3Å; L575-A591 PolarHBondContact O-N 2.97Å; L575-A591 VanDerWaalsContact O-N 3.12Å; L575-F593 HydrophobicContact CD1-CE2 3.96Å; L575-F593 HydrophobicContact CG-CE2 4.41Å; L575-V626 HydrophobicContact CD1-CB 4.26Å; L575-V626 HydrophobicContact CD1-CG1 3.78Å; L575-V626 HydrophobicContact CD1-CG2 4.39Å; L575-L628 HydrophobicContact CD1-CD2 4.08Å; L575-L628 HydrophobicContact CD2-CD1 4.2Å; L575-L628 HydrophobicContact CD2-CD2 4.04Å
576	A	96.2	Very high	88.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	165.1	175	0	0	0	0	0	112.1	L532 R564 F565 F567 Y587 K588	L532-A576 HydrophobicContact CD2-CB 4.16Å; R564-A576 CarbonylContact C-O 3.49Å; R564-A576 VanDerWaalsContact CA-O 3.29Å; R564-A576 WeakPolarHBondContact CA-O 3.28Å; R564-A576 WeakPolarHBondContact CD-O 3.33Å; F565-A576 PolarHBondContact N-O 2.69Å; F565-A576 PolarHBondContact O-N 2.81Å; F567-A576 HydrophobicContact CE2-CB 4.31Å; A576-Y587 HydrophobicContact CB-CD1 4.38Å; A576-Y587 HydrophobicContact CB-CG 4.42Å; A576-K588 CarbonylContact C-O 3.59Å; A576-K588 VanDerWaalsContact CA-O 3.27Å; A576-K588 WeakPolarHBondContact CA-O 3.5Å; A576-K588 WeakPolarHBondContact CB-O 3.49Å
577	S	94.6	Very high	88.5	Confident	14 Å²	14	52.6 Å²	52.6	10%	0.098	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.8	169	65.6	0	0	0	0	109.9	K588 R590	S577-K588 PolarHBondContact N-O 2.9Å; S577-K588 PolarHBondContact O-N 2.77Å; S577-R590 PolarHBondContact OG-NE 2.99Å; S577-R590 PolarHBondContact OG-NH2 3.07Å
578	E	91.8	Very high	88.3	Confident	105 Å²	105	57.1 Å²	57.1	49%	0.491	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	146.8	178.5	-163.1	171.1	-119.6	0	0	112.2	K586 Y587	E578-K586 HydrophobicContact CG-CG 4.43Å; E578-K586 WeakPolarHBondContact OE1-CE 3.4Å; E578-K586 IonicContact OE1-NZ 2.77Å; E578-K586 PolarHBondContact OE1-NZ 2.65Å; E578-Y587 HydrophobicContact CB-CD1 4.01Å; E578-Y587 HydrophobicContact CB-CE1 3.83Å; E578-Y587 HydrophobicContact CG-CD1 4.32Å; E578-Y587 HydrophobicContact CG-CE1 3.98Å
579	R	87.8	Confident	88.1	Confident	85 Å²	85	59.1 Å²	59.1	32%	0.321	31%	0.308	S	S	.	.			trans	-110.7	128.8	174.6	-75.2	159.4	157.7	161.5	-4.1	109.2	M581 S585 K586 Y587 K588	R579-M581 PolarHBondContact O-N 3.17Å; R579-S585 WeakPolarHBondContact CD-O 3.29Å; R579-S585 PolarHBondContact NH1-O 2.89Å; R579-S585 PolarHBondContact NH1-OG 2.86Å; R579-K586 WeakPolarHBondContact CB-O 3.1Å; R579-K586 PolarHBondContact N-O 2.92Å; R579-Y587 PolarHBondContact NH1-O 2.78Å; R579-K588 HydrophobicContact CG-CB 4.32Å
580	K	79.9	Confident	88	Confident	203 Å²	203	65.1 Å²	65.1	88%	0.883	33%	0.331	S	S	*	.			trans	-86.7	24.8	178.2	-57.5	-170.7	178	-173.3	0	113.7
581	M	74.8	Confident	88	Confident	128 Å²	128	63.3 Å²	63.3	63%	0.631	32%	0.322	S	S	*	.			trans	-113.1	124.6	-178.7	-63.8	-159.1	-57.5	0	0	111.1	R579 V584	R579-M581 PolarHBondContact O-N 3.17Å; M581-V584 HydrophobicContact CE-CG2 4.4Å
582	I	66.4	Low	88.1	Confident	183 Å²	183	61.8 Å²	61.8	94%	0.938	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	141	176.5	-57.5	171.9	0	0	0	109
583	G	67	Low	88.2	Confident	84 Å²	84	61.1 Å²	61.1	87%	0.866	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	3.9	178.1	0	0	0	0	0	115.7
584	V	72	Confident	88	Confident	69 Å²	69	61.8 Å²	61.8	42%	0.418	32%	0.315	S	S	.	.	S	Bend	trans	-119	152.6	172.1	-176.8	0	0	0	0	108.5	M581 K586	M581-V584 HydrophobicContact CE-CG2 4.4Å; V584-K586 PolarHBondContact O-N 2.83Å
585	S	81.2	Confident	87.9	Confident	30 Å²	30	61.9 Å²	61.9	21%	0.21	32%	0.316	C	S	.	.			trans	-55.5	127.4	179.7	63.2	0	0	0	0	111.4	Q531 L532 R579 Y587	Q531-S585 CarbonylContact O-C 3.49Å; Q531-S585 WeakPolarHBondContact O-CB 3.42Å; L532-S585 VanDerWaalsContact C-CB 3.45Å; L532-S585 WeakPolarHBondContact O-CB 3.27Å; L532-S585 PolarHBondContact O-OG 2.97Å; R579-S585 WeakPolarHBondContact CD-O 3.29Å; R579-S585 PolarHBondContact NH1-O 2.89Å; R579-S585 PolarHBondContact NH1-OG 2.86Å; S585-Y587 PolarHBondContact O-N 2.66Å; S585-Y587 VanDerWaalsContact O-N 3.11Å
586	K	89.2	Confident	87.7	Confident	85 Å²	85	63.5 Å²	63.5	37%	0.37	33%	0.328	S	S	.	.	S	Bend	trans	-51.1	-38.1	-166.4	-174.7	-175.4	177.4	-154.1	0	113.6	Q531 E578 R579 V584	Q531-K586 HydrophobicContact CB-CB 4.28Å; Q531-K586 HydrophobicContact CG-CB 4.45Å; Q531-K586 PolarHBondContact O-N 3.4Å; E578-K586 HydrophobicContact CG-CG 4.43Å; E578-K586 WeakPolarHBondContact OE1-CE 3.4Å; E578-K586 IonicContact OE1-NZ 2.77Å; E578-K586 PolarHBondContact OE1-NZ 2.65Å; R579-K586 WeakPolarHBondContact CB-O 3.1Å; R579-K586 PolarHBondContact N-O 2.92Å; V584-K586 PolarHBondContact O-N 2.83Å
587	Y	93.6	Very high	87.5	Confident	8 Å²	8	66 Å²	66	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.6	-177.9	-68.2	-71.9	0	0	0	111.1	Q531 F565 F567 A576 E578 R579 S585	Q531-Y587 HydrophobicContact CB-CD2 4.06Å; Q531-Y587 PolarHBondContact O-N 2.89Å; F565-Y587 HydrophobicContact CB-CD1 4.24Å; F565-Y587 HydrophobicContact CB-CE1 3.8Å; F565-Y587 HydrophobicContact CD1-CE1 4.15Å; F565-Y587 HydrophobicContact CD1-CE2 4.48Å; F565-Y587 AromaticContact CD1-CZ 3.96Å; F565-Y587 HydrophobicContact CD2-CE1 4.31Å; F565-Y587 AromaticContact CG-CE1 3.84Å; F565-Y587 HydrophobicContact CG-CE1 3.84Å; F567-Y587 HydrophobicContact CE2-CD2 4.12Å; F567-Y587 HydrophobicContact CE2-CE2 4.48Å; F567-Y587 HydrophobicContact CE2-CG 4.31Å; F567-Y587 AromaticContact CZ-CD2 3.64Å; F567-Y587 HydrophobicContact CZ-CD2 3.64Å; F567-Y587 AromaticContact CZ-CE2 3.69Å; F567-Y587 HydrophobicContact CZ-CE2 3.69Å; F567-Y587 HydrophobicContact CZ-CG 4.27Å; A576-Y587 HydrophobicContact CB-CD1 4.38Å; A576-Y587 HydrophobicContact CB-CG 4.42Å; E578-Y587 HydrophobicContact CB-CD1 4.01Å; E578-Y587 HydrophobicContact CB-CE1 3.83Å; E578-Y587 HydrophobicContact CG-CD1 4.32Å; E578-Y587 HydrophobicContact CG-CE1 3.98Å; R579-Y587 PolarHBondContact NH1-O 2.78Å; S585-Y587 PolarHBondContact O-N 2.66Å; S585-Y587 VanDerWaalsContact O-N 3.11Å
588	K	93.6	Very high	87.5	Confident	100 Å²	100	65.6 Å²	65.6	44%	0.435	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.8	165.4	-177.6	174.8	177.6	175.1	0	108.8	A576 S577 R579	A576-K588 CarbonylContact C-O 3.59Å; A576-K588 VanDerWaalsContact CA-O 3.27Å; A576-K588 WeakPolarHBondContact CA-O 3.5Å; A576-K588 WeakPolarHBondContact CB-O 3.49Å; S577-K588 PolarHBondContact N-O 2.9Å; S577-K588 PolarHBondContact O-N 2.77Å; R579-K588 HydrophobicContact CG-CB 4.32Å
589	L	93.5	Very high	87.6	Confident	42 Å²	42	66.5 Å²	66.5	22%	0.22	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	139.6	170.4	-170.3	61.2	0	0	0	111.6	S535 I536 I574 V592	S535-L589 VanDerWaalsContact O-CD2 3.27Å; S535-L589 WeakPolarHBondContact O-CD2 3.26Å; I536-L589 HydrophobicContact CB-CD2 4.1Å; I536-L589 HydrophobicContact CG2-CD2 4.31Å; I574-L589 HydrophobicContact CG2-CD1 3.34Å; L589-V592 HydrophobicContact CD1-CG2 3.8Å; L589-V592 HydrophobicContact CD2-CG2 4.28Å; L589-V592 HydrophobicContact CG-CG2 4.41Å
590	R	94.1	Very high	87.9	Confident	126 Å²	126	63.4 Å²	63.4	48%	0.475	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	-37.7	-178.3	-64.1	-63	-169.7	145.9	8.7	114.5	L575 S577	L575-R590 WeakPolarHBondContact O-CA 3.25Å; L575-R590 WeakPolarHBondContact O-CB 3.2Å; L575-R590 PolarHBondContact O-N 2.77Å; S577-R590 PolarHBondContact OG-NE 2.99Å; S577-R590 PolarHBondContact OG-NH2 3.07Å
591	A	93.6	Very high	88.4	Confident	8 Å²	8	55.3 Å²	55.3	7%	0.066	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	154.9	170.1	0	0	0	0	0	109.2	L575 F593	L575-A591 HydrophobicContact CB-CB 4.29Å; L575-A591 HydrophobicContact CD1-CB 4.43Å; L575-A591 PolarHBondContact N-O 3Å; L575-A591 PolarHBondContact O-N 2.97Å; L575-A591 VanDerWaalsContact O-N 3.12Å; A591-F593 HydrophobicContact CB-CE2 4.05Å; A591-F593 HydrophobicContact CB-CZ 4.37Å
592	V	94.8	Very high	89.2	Confident	10 Å²	10	49.7 Å²	49.7	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.6	169.7	-175.3	0	0	0	0	107.5	I536 L572 V573 I574 L589 D618 R624	I536-V592 HydrophobicContact CD1-CG1 4.36Å; I536-V592 HydrophobicContact CD1-CG2 3.95Å; L572-V592 HydrophobicContact CD1-CG1 4.25Å; V573-V592 CarbonylContact O-C 3.58Å; V573-V592 WeakPolarHBondContact O-CA 3.43Å; I574-V592 HydrophobicContact CG1-CG2 4.45Å; L589-V592 HydrophobicContact CD1-CG2 3.8Å; L589-V592 HydrophobicContact CD2-CG2 4.28Å; L589-V592 HydrophobicContact CG-CG2 4.41Å; V592-D618 HydrophobicContact CB-CB 4.19Å; V592-D618 HydrophobicContact CG1-CB 4.26Å; V592-R624 PolarHBondContact O-NH1 3.14Å
593	F	96.5	Very high	90.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.3	174.9	-58.9	-85.5	0	0	0	108.8	L572 V573 L575 A591 M598 L614 G616 S617 R624 V626	L572-F593 CarbonylContact C-O 3.58Å; L572-F593 WeakPolarHBondContact CA-O 3.43Å; L572-F593 VanDerWaalsContact CB-O 3.29Å; L572-F593 WeakPolarHBondContact CB-O 3.4Å; V573-F593 HydrophobicContact CB-CB 4.33Å; V573-F593 HydrophobicContact CB-CD2 4.47Å; V573-F593 PolarHBondContact N-O 2.89Å; V573-F593 PolarHBondContact O-N 2.88Å; L575-F593 HydrophobicContact CD1-CE2 3.96Å; L575-F593 HydrophobicContact CG-CE2 4.41Å; A591-F593 HydrophobicContact CB-CE2 4.05Å; A591-F593 HydrophobicContact CB-CZ 4.37Å; F593-M598 HydrophobicContact CB-CB 3.96Å; F593-M598 HydrophobicContact CB-CG 4.41Å; F593-M598 HydrophobicContact CB-SD 3.62Å; F593-L614 HydrophobicContact CD2-CB 4.33Å; F593-L614 HydrophobicContact CD2-CD1 4.03Å; F593-L614 HydrophobicContact CE1-CB 4.13Å; F593-L614 HydrophobicContact CE2-CB 3.93Å; F593-L614 HydrophobicContact CE2-CD1 3.93Å; F593-L614 HydrophobicContact CZ-CB 3.81Å; F593-G616 WeakPolarHBondContact CD1-O 3.39Å; F593-S617 CarbonylContact C-O 3.52Å; F593-S617 VanDerWaalsContact CA-O 3.3Å; F593-S617 WeakPolarHBondContact CA-O 3.39Å; F593-R624 HydrophobicContact CE1-CB 4.02Å; F593-R624 HydrophobicContact CZ-CB 4.32Å; F593-V626 HydrophobicContact CZ-CB 4.21Å; F593-V626 HydrophobicContact CZ-CG2 3.89Å
594	S	94.1	Very high	91.4	Very high	13 Å²	13	38.4 Å²	38.4	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	138.7	171.9	169.8	0	0	0	0	110.1	S596 H597 M598 S617 D618	S594-S596 PolarHBondContact O-N 2.92Å; S594-S596 VanDerWaalsContact O-N 3.09Å; S594-H597 CarbonylContact O-C 3.57Å; S594-H597 PolarHBondContact O-N 2.7Å; S594-M598 WeakPolarHBondContact O-CB 3.44Å; S594-M598 VanDerWaalsContact O-CG 3.28Å; S594-M598 WeakPolarHBondContact O-CG 3.09Å; S594-M598 PolarHBondContact O-N 3.09Å; S594-M598 VanDerWaalsContact O-N 3.07Å; S594-S617 PolarHBondContact N-O 2.88Å; S594-D618 WeakPolarHBondContact CB-O 3.29Å
595	A	94.5	Very high	92.2	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.9	-179.5	0	0	0	0	0	113.4	D571 M598 I646 A650	D571-A595 VanDerWaalsContact O-CB 3.25Å; D571-A595 WeakPolarHBondContact O-CB 3.39Å; D571-A595 PolarHBondContact O-N 3.5Å; A595-M598 HydrophobicContact CB-CE 4.47Å; A595-I646 HydrophobicContact CB-CB 4.22Å; A595-I646 HydrophobicContact CB-CD1 4.02Å; A595-I646 HydrophobicContact CB-CG1 4.09Å; A595-A650 HydrophobicContact CB-CB 3.89Å
596	S	91.9	Very high	92.7	Very high	39 Å²	39	33.8 Å²	33.8	27%	0.273	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-29.2	176.7	-62.1	0	0	0	0	113.8	L303 S594	L303-S596 WeakPolarHBondContact CD1-OG 3.22Å; L303-S596 VanDerWaalsContact CD2-OG 3.3Å; L303-S596 WeakPolarHBondContact CD2-OG 3.45Å; L303-S596 WeakPolarHBondContact CG-OG 3.41Å; S594-S596 PolarHBondContact O-N 2.92Å; S594-S596 VanDerWaalsContact O-N 3.09Å
597	H	92.2	Very high	92.7	Very high	52 Å²	52	30.4 Å²	30.4	24%	0.241	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	10.3	-170.6	-57.9	-83.8	0	0	0	112.4	D300 S594 G616 S617	D300-H597 PolarHBondContact O-CE1 3.47Å; S594-H597 CarbonylContact O-C 3.57Å; S594-H597 PolarHBondContact O-N 2.7Å; H597-G616 WeakPolarHBondContact O-CA 3.18Å; H597-S617 WeakPolarHBondContact CB-OG 3.28Å; H597-S617 PolarHBondContact O-N 3.47Å
598	M	94.5	Very high	92.4	Very high	5 Å²	5	31 Å²	31	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	155.8	-178.3	80.5	177.5	-172.2	0	0	114.3	V573 F593 S594 A595 R615 I643 I646 I647	V573-M598 HydrophobicContact CB-SD 4.34Å; V573-M598 HydrophobicContact CG2-CE 3.53Å; V573-M598 HydrophobicContact CG2-SD 3.65Å; F593-M598 HydrophobicContact CB-CB 3.96Å; F593-M598 HydrophobicContact CB-CG 4.41Å; F593-M598 HydrophobicContact CB-SD 3.62Å; S594-M598 WeakPolarHBondContact O-CB 3.44Å; S594-M598 VanDerWaalsContact O-CG 3.28Å; S594-M598 WeakPolarHBondContact O-CG 3.09Å; S594-M598 PolarHBondContact O-N 3.09Å; S594-M598 VanDerWaalsContact O-N 3.07Å; A595-M598 HydrophobicContact CB-CE 4.47Å; M598-R615 CarbonylContact C-O 3.55Å; M598-R615 VanDerWaalsContact CA-O 3.31Å; M598-R615 WeakPolarHBondContact CA-O 3.36Å; M598-I643 HydrophobicContact CE-CG2 3.65Å; M598-I646 HydrophobicContact CE-CD1 3.61Å; M598-I646 HydrophobicContact CE-CG1 3.8Å; M598-I647 HydrophobicContact CE-CD1 3.78Å; M598-I647 HydrophobicContact CE-CG1 3.45Å; M598-I647 VanDerWaalsContact CE-CG1 3.45Å; M598-I647 HydrophobicContact CG-CD1 3.88Å; M598-I647 HydrophobicContact CG-CG1 3.75Å; M598-I647 HydrophobicContact SD-CG1 4.48Å
599	Q	93.8	Very high	92.2	Very high	125 Å²	125	28.3 Å²	28.3	58%	0.584	14%	0.141	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.9	173.6	-58.1	179.7	9.9	0	0	108.4	R615	Q599-R615 PolarHBondContact N-O 2.91Å; Q599-R615 PolarHBondContact O-N 3.25Å
600	V	94.5	Very high	92.1	Very high	20 Å²	20	28.2 Å²	28.2	12%	0.121	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.6	168.7	65.6	0	0	0	0	109.2	F612 Y613 L614 V640 I643 F644 I647	V600-F612 HydrophobicContact CG2-CD2 3.89Å; V600-F612 HydrophobicContact CG2-CE2 4.43Å; V600-Y613 WeakPolarHBondContact CA-O 3.43Å; V600-L614 HydrophobicContact CB-CD2 4.08Å; V600-L614 HydrophobicContact CG2-CD2 3.86Å; V600-V640 HydrophobicContact CB-CG1 4.44Å; V600-V640 HydrophobicContact CG1-CG1 3.9Å; V600-V640 HydrophobicContact CG2-CB 4.18Å; V600-V640 HydrophobicContact CG2-CG1 3.67Å; V600-V640 HydrophobicContact CG2-CG2 3.87Å; V600-I643 HydrophobicContact CB-CG2 3.79Å; V600-I643 HydrophobicContact CG1-CG2 4Å; V600-I643 HydrophobicContact CG2-CG2 4.17Å; V600-F644 HydrophobicContact CG1-CB 4.25Å; V600-F644 HydrophobicContact CG1-CD2 4.46Å; V600-I647 HydrophobicContact CB-CD1 4.35Å; V600-I647 HydrophobicContact CG1-CD1 4.01Å
601	C	91.5	Very high	92.1	Very high	32 Å²	32	22.3 Å²	22.3	22%	0.216	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154	-174.1	-56.5	0	0	0	0	110.7	F612 Y613	C601-F612 CarbonylContact O-C 3.49Å; C601-F612 WeakPolarHBondContact O-CA 3.27Å; C601-F612 WeakPolarHBondContact O-CB 3.45Å; C601-Y613 PolarHBondContact N-O 2.98Å; C601-Y613 PolarHBondContact O-N 3.16Å
602	E	90.4	Very high	92.2	Very high	11 Å²	11	22 Å²	22	5%	0.051	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	152	169.4	-74	-60.9	157.9	0	0	112.1	Y613 K636 R742 L745 L746 M797	E602-Y613 WeakPolarHBondContact O-CD2 3.03Å; E602-K636 WeakPolarHBondContact OE2-CE 3.31Å; E602-K636 IonicContact OE2-NZ 3.3Å; E602-K636 PolarHBondContact OE2-NZ 2.89Å; E602-R742 IonicContact OE1-CZ 3.67Å; E602-R742 IonicContact OE1-NH2 2.73Å; E602-R742 PolarHBondContact OE1-NH2 2.83Å; E602-L745 HydrophobicContact CG-CB 4.1Å; E602-L745 HydrophobicContact CG-CD1 4.27Å; E602-L745 HydrophobicContact CG-CG 4.49Å; E602-L746 HydrophobicContact CG-CG 4.34Å; E602-L746 WeakPolarHBondContact OE2-CD1 3.36Å; E602-M797 HydrophobicContact CB-SD 4.36Å
603	G	90.5	Very high	92.2	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	12%	0.115	C	C	.	.			trans	-71.7	141.9	171.8	0	0	0	0	0	111.7	S611	G603-S611 PolarHBondContact N-O 2.79Å; G603-S611 VanDerWaalsContact N-O 3.16Å
604	D	89.7	Confident	92.2	Very high	27 Å²	27	22.3 Å²	22.3	14%	0.144	12%	0.115	C	C	.	.			trans	-112.3	20.9	-174	69.8	-14.3	0	0	0	112.9	Y613 M797 R822	D604-Y613 VanDerWaalsContact OD1-CE2 3.28Å; D604-Y613 WeakPolarHBondContact OD1-CE2 3.44Å; D604-Y613 PolarHBondContact OD1-OH 3.47Å; D604-M797 CarbonylContact C-O 3.52Å; D604-M797 VanDerWaalsContact C-O 3.26Å; D604-M797 WeakPolarHBondContact CA-O 3.49Å; D604-R822 IonicContact OD1-CZ 3.6Å; D604-R822 IonicContact OD1-NH1 3.6Å; D604-R822 PolarHBondContact OD1-NH1 2.99Å; D604-R822 IonicContact OD1-NH2 2.69Å; D604-R822 PolarHBondContact OD1-NH2 2.88Å; D604-R822 VanDerWaalsContact OD1-NH2 3.17Å; D604-R822 IonicContact OD2-CZ 2.76Å; D604-R822 IonicContact OD2-NH1 3.41Å; D604-R822 IonicContact OD2-NH2 2.63Å; D604-R822 PolarHBondContact OD2-NH2 3.47Å
605	N	89.5	Confident	92.2	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.128	C	C	.	.			trans	-108.9	113.3	179.5	-175.3	-2.9	0	0	0	111.8	E607 R608 Y824	N605-E607 VanDerWaalsContact C-N 3.27Å; N605-E607 PolarHBondContact O-N 3.43Å; N605-E607 PolarHBondContact OD1-N 3.37Å; N605-E607 VanDerWaalsContact OD1-N 3.09Å; N605-R608 HydrophobicContact CB-CB 4.05Å; N605-R608 PolarHBondContact ND2-NH1 3.45Å; N605-R608 CarbonylContact O-C 3.58Å; N605-R608 PolarHBondContact O-N 3.26Å; N605-Y824 WeakPolarHBondContact CA-OH 3.2Å; N605-Y824 PolarHBondContact OD1-OH 2.86Å
606	L	91.8	Very high	92.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.6	-177.4	-55.2	177	0	0	0	114.4	F763 M783 T785 L798 Y824 M826	L606-F763 HydrophobicContact CB-CE2 3.66Å; L606-F763 HydrophobicContact CB-CZ 3.89Å; L606-M783 HydrophobicContact CD1-CE 3.75Å; L606-T785 HydrophobicContact CD2-CG2 3.84Å; L606-L798 HydrophobicContact CD1-CB 4.33Å; L606-L798 HydrophobicContact CD1-CD2 3.92Å; L606-L798 HydrophobicContact CD2-CB 3.67Å; L606-L798 HydrophobicContact CG-CB 4.06Å; L606-L798 HydrophobicContact CG-CD2 4.36Å; L606-Y824 HydrophobicContact CB-CD1 4.29Å; L606-Y824 HydrophobicContact CB-CE1 3.86Å; L606-Y824 HydrophobicContact CD1-CD1 4.28Å; L606-Y824 HydrophobicContact CD1-CD2 3.8Å; L606-Y824 HydrophobicContact CD1-CE1 4.38Å; L606-Y824 HydrophobicContact CD1-CE2 3.89Å; L606-Y824 HydrophobicContact CD1-CG 4Å; L606-Y824 HydrophobicContact CG-CD2 4.48Å; L606-Y824 HydrophobicContact CG-CE1 4.32Å; L606-Y824 HydrophobicContact CG-CE2 4.08Å; L606-Y824 PolarHBondContact N-OH 3.29Å; L606-M826 HydrophobicContact CD1-CE 4.1Å
607	E	87.9	Confident	92.2	Very high	14 Å²	14	24.6 Å²	24.6	7%	0.065	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.8	174.5	-70.3	-177.3	122.5	0	0	113.2	N605 F763 G765 S766 L767 G768 K769 L771 Y824	N605-E607 VanDerWaalsContact C-N 3.27Å; N605-E607 PolarHBondContact O-N 3.43Å; N605-E607 PolarHBondContact OD1-N 3.37Å; N605-E607 VanDerWaalsContact OD1-N 3.09Å; E607-F763 HydrophobicContact CG-CE2 4Å; E607-G765 VanDerWaalsContact CD-N 3.28Å; E607-G765 WeakPolarHBondContact OE1-CA 3.43Å; E607-G765 PolarHBondContact OE1-N 2.89Å; E607-G765 WeakPolarHBondContact OE2-CA 3.41Å; E607-S766 PolarHBondContact OE2-N 2.92Å; E607-L767 HydrophobicContact CB-CD1 4.03Å; E607-L767 HydrophobicContact CB-CG 4.49Å; E607-L767 WeakPolarHBondContact OE2-CB 3.35Å; E607-L767 WeakPolarHBondContact OE2-CG 3.49Å; E607-L767 PolarHBondContact OE2-N 3.46Å; E607-G768 PolarHBondContact OE1-N 3.38Å; E607-K769 PolarHBondContact OE1-N 2.95Å; E607-K769 VanDerWaalsContact OE1-N 3.15Å; E607-L771 HydrophobicContact CB-CD1 4.5Å; E607-L771 HydrophobicContact CG-CD1 4.2Å; E607-Y824 HydrophobicContact CG-CE1 4.31Å
608	R	87.2	Confident	92.1	Very high	20 Å²	20	24.6 Å²	24.6	8%	0.075	12%	0.119	C	C	.	.			trans	-125.8	75.8	-172.1	-164.3	-174.4	-66.1	120.7	1.4	112	N605 S611 E627 F629	N605-R608 HydrophobicContact CB-CB 4.05Å; N605-R608 PolarHBondContact ND2-NH1 3.45Å; N605-R608 CarbonylContact O-C 3.58Å; N605-R608 PolarHBondContact O-N 3.26Å; R608-S611 WeakPolarHBondContact O-CB 3.4Å; R608-S611 PolarHBondContact O-OG 2.85Å; R608-E627 VanDerWaalsContact CD-OE1 3.29Å; R608-E627 WeakPolarHBondContact CD-OE1 3.42Å; R608-E627 IonicContact CZ-OE1 2.68Å; R608-E627 IonicContact NE-OE1 2.65Å; R608-E627 IonicContact NH1-OE1 3.45Å; R608-E627 PolarHBondContact NH1-OE1 3.3Å; R608-E627 IonicContact NH1-OE2 2.7Å; R608-E627 PolarHBondContact NH1-OE2 3.4Å; R608-F629 HydrophobicContact CG-CD2 3.93Å; R608-F629 HydrophobicContact CG-CE2 4.38Å
609	E	89.1	Confident	91.5	Very high	44 Å²	44	24.4 Å²	24.4	21%	0.206	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	156.8	162.8	-52.6	173.2	177.1	0	0	111	S611 F629 R773 L795	E609-S611 PolarHBondContact O-N 2.67Å; E609-F629 VanDerWaalsContact O-CD2 3.29Å; E609-F629 WeakPolarHBondContact O-CD2 3.42Å; E609-F629 WeakPolarHBondContact O-CE2 3.27Å; E609-R773 IonicContact OE1-CZ 3.81Å; E609-R773 IonicContact OE1-NE 3.13Å; E609-R773 IonicContact OE1-NH2 3.62Å; E609-R773 PolarHBondContact OE1-NH2 2.75Å; E609-L795 HydrophobicContact CG-CB 4.07Å
610	H	91.9	Very high	90.7	Very high	40 Å²	40	23.2 Å²	23.2	19%	0.185	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	14.7	178	-42.8	151.3	0	0	0	116.7	F629 T630 P631 Q633	H610-F629 HydrophobicContact CB-CD2 4.34Å; H610-F629 HydrophobicContact CB-CE2 4.14Å; H610-T630 VanDerWaalsContact CB-O 3.28Å; H610-T630 WeakPolarHBondContact CB-O 3.45Å; H610-T630 PolarHBondContact O-N 3.07Å; H610-P631 PolarHBondContact CE1-O 2.79Å; H610-P631 PolarHBondContact ND1-O 3.42Å; H610-Q633 PolarHBondContact CD2-N 2.89Å; H610-Q633 VanDerWaalsContact CD2-N 3.29Å; H610-Q633 PolarHBondContact CD2-OE1 3.33Å; H610-Q633 PolarHBondContact NE2-N 2.77Å
611	S	94.1	Very high	89.7	Confident	3 Å²	3	22.5 Å²	22.5	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	154.4	173	60	0	0	0	0	113.2	G603 R608 E609 L628 K636	G603-S611 PolarHBondContact N-O 2.79Å; G603-S611 VanDerWaalsContact N-O 3.16Å; R608-S611 WeakPolarHBondContact O-CB 3.4Å; R608-S611 PolarHBondContact O-OG 2.85Å; E609-S611 PolarHBondContact O-N 2.67Å; S611-L628 CarbonylContact C-O 3.53Å; S611-L628 VanDerWaalsContact CA-O 3.25Å; S611-L628 WeakPolarHBondContact CA-O 3.24Å; S611-K636 VanDerWaalsContact O-CE 3.26Å; S611-K636 WeakPolarHBondContact O-CE 3.27Å; S611-K636 PolarHBondContact O-NZ 3.04Å
612	F	95.5	Very high	89.4	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	157.3	173.1	66.2	-88.6	0	0	0	111.2	V600 C601 L614 L628 T630 K636 W639 V640 I643	V600-F612 HydrophobicContact CG2-CD2 3.89Å; V600-F612 HydrophobicContact CG2-CE2 4.43Å; C601-F612 CarbonylContact O-C 3.49Å; C601-F612 WeakPolarHBondContact O-CA 3.27Å; C601-F612 WeakPolarHBondContact O-CB 3.45Å; F612-L614 HydrophobicContact CD2-CD2 4.47Å; F612-L614 HydrophobicContact CE2-CD2 4.21Å; F612-L614 HydrophobicContact CE2-CG 4.38Å; F612-L628 HydrophobicContact CD1-CB 4.42Å; F612-L628 HydrophobicContact CD2-CB 4.38Å; F612-L628 HydrophobicContact CE1-CB 4.04Å; F612-L628 HydrophobicContact CE2-CB 4Å; F612-L628 HydrophobicContact CE2-CD1 3.77Å; F612-L628 HydrophobicContact CE2-CG 4.44Å; F612-L628 HydrophobicContact CZ-CB 3.82Å; F612-L628 HydrophobicContact CZ-CD1 3.95Å; F612-L628 PolarHBondContact N-O 2.89Å; F612-L628 PolarHBondContact O-N 3.03Å; F612-T630 HydrophobicContact CE1-CG2 4.21Å; F612-K636 HydrophobicContact CD1-CD 4.5Å; F612-K636 HydrophobicContact CD1-CG 4.08Å; F612-W639 HydrophobicContact CE1-CB 4.41Å; F612-W639 HydrophobicContact CZ-CB 4.05Å; F612-V640 HydrophobicContact CB-CG2 3.83Å; F612-V640 HydrophobicContact CD1-CG2 3.82Å; F612-V640 HydrophobicContact CD2-CG2 3.62Å; F612-V640 HydrophobicContact CE1-CG2 4.21Å; F612-V640 HydrophobicContact CE2-CG2 4.03Å; F612-V640 HydrophobicContact CG-CG2 3.5Å; F612-V640 VanDerWaalsContact CG-CG2 3.5Å; F612-V640 HydrophobicContact CZ-CG2 4.3Å; F612-I643 HydrophobicContact CE2-CD1 4.39Å
613	Y	95.3	Very high	89.4	Confident	18 Å²	18	29.2 Å²	29.2	7%	0.071	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.4	177.1	-70.3	-81.3	0	0	0	112.3	V600 C601 E602 D604 V626 E627	V600-Y613 WeakPolarHBondContact CA-O 3.43Å; C601-Y613 PolarHBondContact N-O 2.98Å; C601-Y613 PolarHBondContact O-N 3.16Å; E602-Y613 WeakPolarHBondContact O-CD2 3.03Å; D604-Y613 VanDerWaalsContact OD1-CE2 3.28Å; D604-Y613 WeakPolarHBondContact OD1-CE2 3.44Å; D604-Y613 PolarHBondContact OD1-OH 3.47Å; Y613-V626 WeakPolarHBondContact CA-O 3.06Å; Y613-E627 HydrophobicContact CD1-CB 3.88Å; Y613-E627 HydrophobicContact CD1-CG 4.18Å; Y613-E627 HydrophobicContact CE1-CB 3.41Å; Y613-E627 VanDerWaalsContact CE1-CB 3.41Å; Y613-E627 HydrophobicContact CE1-CG 3.6Å; Y613-E627 HydrophobicContact CE2-CG 4.39Å; Y613-E627 VanDerWaalsContact OH-CD 3.24Å; Y613-E627 PolarHBondContact OH-OE2 2.58Å
614	L	96.4	Very high	89.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.4	154.9	-59.8	-177	0	0	0	108.8	V573 F593 V600 F612 C625 V626 L628 I643	V573-L614 HydrophobicContact CG1-CD1 4.07Å; F593-L614 HydrophobicContact CD2-CB 4.33Å; F593-L614 HydrophobicContact CD2-CD1 4.03Å; F593-L614 HydrophobicContact CE1-CB 4.13Å; F593-L614 HydrophobicContact CE2-CB 3.93Å; F593-L614 HydrophobicContact CE2-CD1 3.93Å; F593-L614 HydrophobicContact CZ-CB 3.81Å; V600-L614 HydrophobicContact CB-CD2 4.08Å; V600-L614 HydrophobicContact CG2-CD2 3.86Å; F612-L614 HydrophobicContact CD2-CD2 4.47Å; F612-L614 HydrophobicContact CE2-CD2 4.21Å; F612-L614 HydrophobicContact CE2-CG 4.38Å; L614-C625 WeakPolarHBondContact O-CA 3.26Å; L614-V626 PolarHBondContact N-O 3.25Å; L614-V626 PolarHBondContact O-N 2.95Å; L614-L628 HydrophobicContact CD1-CD1 3.61Å; L614-L628 HydrophobicContact CG-CD1 3.86Å; L614-I643 HydrophobicContact CD2-CD1 4.11Å; L614-I643 HydrophobicContact CD2-CG2 3.88Å
615	R	94.6	Very high	89.6	Confident	95 Å²	95	35.4 Å²	35.4	36%	0.358	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.4	-177.7	-56	-173	178	171.9	0.6	109.2	M598 Q599 R624 C625	M598-R615 CarbonylContact C-O 3.55Å; M598-R615 VanDerWaalsContact CA-O 3.31Å; M598-R615 WeakPolarHBondContact CA-O 3.36Å; Q599-R615 PolarHBondContact N-O 2.91Å; Q599-R615 PolarHBondContact O-N 3.25Å; R615-R624 CarbonylContact C-O 3.49Å; R615-R624 WeakPolarHBondContact CA-O 3.42Å; R615-C625 HydrophobicContact CG-CB 4.44Å
616	G	94	Very high	89.8	Confident	5 Å²	5	36.5 Å²	36.5	5%	0.052	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-178.3	-178.2	0	0	0	0	0	114.8	F593 H597 R624	F593-G616 WeakPolarHBondContact CD1-O 3.39Å; H597-G616 WeakPolarHBondContact O-CA 3.18Å; G616-R624 PolarHBondContact N-O 3.49Å; G616-R624 PolarHBondContact O-N 3.06Å
617	S	92.7	Very high	90	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	19%	0.19	C	C	.	.			trans	-110.5	175.1	175.9	65.4	0	0	0	0	112.4	F593 S594 H597 G619 G621	F593-S617 CarbonylContact C-O 3.52Å; F593-S617 VanDerWaalsContact CA-O 3.3Å; F593-S617 WeakPolarHBondContact CA-O 3.39Å; S594-S617 PolarHBondContact N-O 2.88Å; H597-S617 WeakPolarHBondContact CB-OG 3.28Å; H597-S617 PolarHBondContact O-N 3.47Å; S617-G619 PolarHBondContact O-N 2.95Å; S617-G619 PolarHBondContact OG-N 2.67Å; S617-G619 PolarHBondContact OG-O 3.24Å; S617-G621 WeakPolarHBondContact CB-O 3.27Å
618	D	89.1	Confident	90.4	Very high	53 Å²	53	36.9 Å²	36.9	28%	0.283	19%	0.187	S	C	.	.	S	Bend	trans	-68.2	-0.5	168.7	-17	58.6	0	0	0	113	V592 S594 R624	V592-D618 HydrophobicContact CB-CB 4.19Å; V592-D618 HydrophobicContact CG1-CB 4.26Å; S594-D618 WeakPolarHBondContact CB-O 3.29Å; D618-R624 VanDerWaalsContact CG-NH1 3.28Å; D618-R624 IonicContact OD1-CZ 3.88Å; D618-R624 IonicContact OD1-NH1 2.72Å; D618-R624 PolarHBondContact OD1-NH1 3.34Å; D618-R624 IonicContact OD1-NH2 2.69Å; D618-R624 PolarHBondContact OD1-NH2 2.89Å; D618-R624 IonicContact OD2-CZ 2.88Å; D618-R624 IonicContact OD2-NH1 2.73Å; D618-R624 PolarHBondContact OD2-NH1 3.45Å; D618-R624 IonicContact OD2-NH2 2.66Å; D618-R624 PolarHBondContact OD2-NH2 2.7Å
619	G	82	Confident	90.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.01	19%	0.194	C	C	.	.	S	Bend	trans	102.2	-96.4	-148.3	0	0	0	0	0	107.7	T301 S617 G621	T301-G619 VanDerWaalsContact OG1-C 3.24Å; T301-G619 WeakPolarHBondContact OG1-CA 3.41Å; S617-G619 PolarHBondContact O-N 2.95Å; S617-G619 PolarHBondContact OG-N 2.67Å; S617-G619 PolarHBondContact OG-O 3.24Å; G619-G621 VanDerWaalsContact C-N 3.33Å; G619-G621 PolarHBondContact O-N 2.97Å
620	T	76.3	Confident	90.9	Very high	100 Å²	100	36.3 Å²	36.3	61%	0.613	18%	0.184	S	C	*	.	S	Bend	trans	-80.4	41.8	-167.2	67.3	0	0	0	0	116	D299 T301	D299-T620 WeakPolarHBondContact OD1-CA 3.42Å; D299-T620 WeakPolarHBondContact OD2-CA 3.45Å; T301-T620 PolarHBondContact OG1-N 2.87Å
621	G	74.8	Confident	90.7	Very high	5 Å²	5	38.7 Å²	38.7	5%	0.052	20%	0.203	C	C	.	.	S	Bend	trans	-164.2	172.5	-167.9	0	0	0	0	0	116	D299 S617 G619 K623	D299-G621 PolarHBondContact OD1-N 2.63Å; S617-G621 WeakPolarHBondContact CB-O 3.27Å; G619-G621 VanDerWaalsContact C-N 3.33Å; G619-G621 PolarHBondContact O-N 2.97Å; G621-K623 PolarHBondContact O-N 2.68Å
622	P	85.4	Confident	90.5	Very high	46 Å²	46	41.4 Å²	41.4	30%	0.299	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-58.2	130.3	-175.3	16.6	-28.8	0	0	0	112.5	E297 R624	E297-P622 HydrophobicContact CG-CB 3.75Å; E297-P622 HydrophobicContact CG-CG 4.48Å; E297-P622 WeakPolarHBondContact OE1-CB 3.34Å; P622-R624 PolarHBondContact O-N 3.43Å
623	K	90	Very high	90.1	Very high	138 Å²	138	43.2 Å²	43.2	60%	0.6	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-54.6	117.7	168.8	-84.3	167.9	-155.1	94	0	111.7	D298 G621	D298-K623 WeakPolarHBondContact OD1-CE 3.14Å; D298-K623 IonicContact OD1-NZ 3.82Å; D298-K623 PolarHBondContact OD1-NZ 3.04Å; D298-K623 WeakPolarHBondContact OD2-CD 3.43Å; D298-K623 WeakPolarHBondContact OD2-CE 3.43Å; D298-K623 WeakPolarHBondContact OD2-CG 3.17Å; D298-K623 PolarHBondContact OD2-N 3.29Å; D298-K623 VanDerWaalsContact OD2-N 3.13Å; D298-K623 IonicContact OD2-NZ 3.84Å; D298-K623 PolarHBondContact OD2-NZ 3.4Å; G621-K623 PolarHBondContact O-N 2.68Å
624	R	90.7	Very high	89.7	Confident	80 Å²	80	49.2 Å²	49.2	30%	0.302	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.2	174.5	-62	171	-163.6	120.3	5.1	109.8	V592 F593 R615 G616 D618 P622	V592-R624 PolarHBondContact O-NH1 3.14Å; F593-R624 HydrophobicContact CE1-CB 4.02Å; F593-R624 HydrophobicContact CZ-CB 4.32Å; R615-R624 CarbonylContact C-O 3.49Å; R615-R624 WeakPolarHBondContact CA-O 3.42Å; G616-R624 PolarHBondContact N-O 3.49Å; G616-R624 PolarHBondContact O-N 3.06Å; D618-R624 VanDerWaalsContact CG-NH1 3.28Å; D618-R624 IonicContact OD1-CZ 3.88Å; D618-R624 IonicContact OD1-NH1 2.72Å; D618-R624 PolarHBondContact OD1-NH1 3.34Å; D618-R624 IonicContact OD1-NH2 2.69Å; D618-R624 PolarHBondContact OD1-NH2 2.89Å; D618-R624 IonicContact OD2-CZ 2.88Å; D618-R624 IonicContact OD2-NH1 2.73Å; D618-R624 PolarHBondContact OD2-NH1 3.45Å; D618-R624 IonicContact OD2-NH2 2.66Å; D618-R624 PolarHBondContact OD2-NH2 2.7Å; P622-R624 PolarHBondContact O-N 3.43Å
625	C	93	Very high	89.5	Confident	80 Å²	80	52.3 Å²	52.3	54%	0.541	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.6	167.9	-176.9	0	0	0	0	108.4	L614 R615	L614-C625 WeakPolarHBondContact O-CA 3.26Å; R615-C625 HydrophobicContact CG-CB 4.44Å
626	V	94.3	Very high	89.5	Confident	23 Å²	23	48 Å²	48	14%	0.139	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.1	-179.1	-178.8	0	0	0	0	109.7	K553 L575 F593 Y613 L614 L628	K553-V626 HydrophobicContact CB-CG1 4.44Å; K553-V626 HydrophobicContact CG-CG1 3.72Å; L575-V626 HydrophobicContact CD1-CB 4.26Å; L575-V626 HydrophobicContact CD1-CG1 3.78Å; L575-V626 HydrophobicContact CD1-CG2 4.39Å; F593-V626 HydrophobicContact CZ-CB 4.21Å; F593-V626 HydrophobicContact CZ-CG2 3.89Å; Y613-V626 WeakPolarHBondContact CA-O 3.06Å; L614-V626 PolarHBondContact N-O 3.25Å; L614-V626 PolarHBondContact O-N 2.95Å; V626-L628 HydrophobicContact CG1-CD2 3.9Å; V626-L628 HydrophobicContact CG1-CG 4.3Å
627	E	94.9	Very high	89.3	Confident	22 Å²	22	49.5 Å²	49.5	10%	0.103	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.9	169.3	-159.9	-178.7	144.7	0	0	110.1	K553 I554 R608 Y613	K553-E627 WeakPolarHBondContact CA-O 3.29Å; I554-E627 HydrophobicContact CB-CB 4.03Å; I554-E627 HydrophobicContact CB-CG 4.35Å; I554-E627 HydrophobicContact CG1-CB 4.14Å; I554-E627 HydrophobicContact CG1-CG 3.98Å; I554-E627 PolarHBondContact N-O 3.16Å; R608-E627 VanDerWaalsContact CD-OE1 3.29Å; R608-E627 WeakPolarHBondContact CD-OE1 3.42Å; R608-E627 IonicContact CZ-OE1 2.68Å; R608-E627 IonicContact NE-OE1 2.65Å; R608-E627 IonicContact NH1-OE1 3.45Å; R608-E627 PolarHBondContact NH1-OE1 3.3Å; R608-E627 IonicContact NH1-OE2 2.7Å; R608-E627 PolarHBondContact NH1-OE2 3.4Å; Y613-E627 HydrophobicContact CD1-CB 3.88Å; Y613-E627 HydrophobicContact CD1-CG 4.18Å; Y613-E627 HydrophobicContact CE1-CB 3.41Å; Y613-E627 VanDerWaalsContact CE1-CB 3.41Å; Y613-E627 HydrophobicContact CE1-CG 3.6Å; Y613-E627 HydrophobicContact CE2-CG 4.39Å; Y613-E627 VanDerWaalsContact OH-CD 3.24Å; Y613-E627 PolarHBondContact OH-OE2 2.58Å
628	L	96.6	Very high	89.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	151.3	174.8	-59.1	174.8	0	0	0	109.7	V551 Q552 K553 I566 L575 S611 F612 L614 V626	V551-L628 HydrophobicContact CG2-CD2 3.97Å; Q552-L628 CarbonylContact O-C 3.55Å; Q552-L628 WeakPolarHBondContact O-CA 3.39Å; K553-L628 HydrophobicContact CB-CD2 3.95Å; I566-L628 HydrophobicContact CD1-CD1 4.28Å; L575-L628 HydrophobicContact CD1-CD2 4.08Å; L575-L628 HydrophobicContact CD2-CD1 4.2Å; L575-L628 HydrophobicContact CD2-CD2 4.04Å; S611-L628 CarbonylContact C-O 3.53Å; S611-L628 VanDerWaalsContact CA-O 3.25Å; S611-L628 WeakPolarHBondContact CA-O 3.24Å; F612-L628 HydrophobicContact CD1-CB 4.42Å; F612-L628 HydrophobicContact CD2-CB 4.38Å; F612-L628 HydrophobicContact CE1-CB 4.04Å; F612-L628 HydrophobicContact CE2-CB 4Å; F612-L628 HydrophobicContact CE2-CD1 3.77Å; F612-L628 HydrophobicContact CE2-CG 4.44Å; F612-L628 HydrophobicContact CZ-CB 3.82Å; F612-L628 HydrophobicContact CZ-CD1 3.95Å; F612-L628 PolarHBondContact N-O 2.89Å; F612-L628 PolarHBondContact O-N 3.03Å; L614-L628 HydrophobicContact CD1-CD1 3.61Å; L614-L628 HydrophobicContact CG-CD1 3.86Å; V626-L628 HydrophobicContact CG1-CD2 3.9Å; V626-L628 HydrophobicContact CG1-CG 4.3Å
629	F	92.2	Very high	89.7	Confident	52 Å²	52	50.8 Å²	50.8	23%	0.228	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.7	-178.7	166.8	-90	0	0	0	109.8	Q552 I554 R608 E609 H610	Q552-F629 HydrophobicContact CB-CB 4.38Å; Q552-F629 HydrophobicContact CB-CD1 4.08Å; Q552-F629 HydrophobicContact CG-CD1 4.31Å; Q552-F629 PolarHBondContact N-O 3.48Å; Q552-F629 PolarHBondContact O-N 2.77Å; I554-F629 HydrophobicContact CD1-CB 4.18Å; R608-F629 HydrophobicContact CG-CD2 3.93Å; R608-F629 HydrophobicContact CG-CE2 4.38Å; E609-F629 VanDerWaalsContact O-CD2 3.29Å; E609-F629 WeakPolarHBondContact O-CD2 3.42Å; E609-F629 WeakPolarHBondContact O-CE2 3.27Å; H610-F629 HydrophobicContact CB-CD2 4.34Å; H610-F629 HydrophobicContact CB-CE2 4.14Å
630	T	94.2	Very high	90.3	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	27%	0.265	C	S	.	.			trans	-120.9	153.2	174.9	54.6	0	0	0	0	111	V551 H610 F612 T632 E635 K636	V551-T630 HydrophobicContact CG1-CG2 4.3Å; H610-T630 VanDerWaalsContact CB-O 3.28Å; H610-T630 WeakPolarHBondContact CB-O 3.45Å; H610-T630 PolarHBondContact O-N 3.07Å; F612-T630 HydrophobicContact CE1-CG2 4.21Å; T630-T632 VanDerWaalsContact C-N 3.28Å; T630-T632 PolarHBondContact O-N 2.8Å; T630-T632 PolarHBondContact OG1-O 2.87Å; T630-E635 HydrophobicContact CG2-CB 4.05Å; T630-K636 WeakPolarHBondContact OG1-CA 3.47Å; T630-K636 WeakPolarHBondContact OG1-CB 3.06Å; T630-K636 PolarHBondContact OG1-N 3.17Å; T630-K636 VanDerWaalsContact OG1-N 3.16Å
631	P	89.2	Confident	91.1	Very high	89 Å²	89	49.2 Å²	49.2	58%	0.578	25%	0.253	S	S	*	.	S	Bend	trans	-55.4	-40	177	-24.8	33.4	0	0	0	113.7	H610 E635	H610-P631 PolarHBondContact CE1-O 2.79Å; H610-P631 PolarHBondContact ND1-O 3.42Å; P631-E635 WeakPolarHBondContact CD-OE2 3.43Å
632	T	89.3	Confident	92.1	Very high	60 Å²	60	51 Å²	51	37%	0.368	27%	0.265	S	S	.	.	S	Bend	trans	-123	154.7	-177.8	68.2	0	0	0	0	113.8	T630 K634 E635 K636	T630-T632 VanDerWaalsContact C-N 3.28Å; T630-T632 PolarHBondContact O-N 2.8Å; T630-T632 PolarHBondContact OG1-O 2.87Å; T632-K634 PolarHBondContact O-N 2.61Å; T632-E635 WeakPolarHBondContact CB-OE1 3.32Å; T632-E635 WeakPolarHBondContact CG2-OE1 3.19Å; T632-E635 PolarHBondContact N-OE1 3.28Å; T632-E635 VanDerWaalsContact N-OE1 3.12Å; T632-E635 PolarHBondContact O-N 2.84Å; T632-E635 WeakPolarHBondContact OG1-CG 3.45Å; T632-E635 PolarHBondContact OG1-N 3.49Å; T632-E635 VanDerWaalsContact OG1-N 3.16Å; T632-E635 PolarHBondContact OG1-OE1 2.72Å; T632-K636 PolarHBondContact O-N 2.72Å; T632-K636 VanDerWaalsContact O-N 3.16Å
633	Q	86.5	Confident	92.6	Very high	38 Å²	38	48.8 Å²	48.8	18%	0.178	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-30.1	169.8	-174.6	60.5	37	0	0	112.4	H610 K636 N637	H610-Q633 PolarHBondContact CD2-N 2.89Å; H610-Q633 VanDerWaalsContact CD2-N 3.29Å; H610-Q633 PolarHBondContact CD2-OE1 3.33Å; H610-Q633 PolarHBondContact NE2-N 2.77Å; Q633-K636 PolarHBondContact O-N 2.87Å; Q633-N637 PolarHBondContact NE2-OD1 2.87Å; Q633-N637 VanDerWaalsContact O-CG 3.29Å; Q633-N637 PolarHBondContact O-N 2.84Å; Q633-N637 PolarHBondContact O-OD1 3.38Å
634	K	87.8	Confident	92.8	Very high	144 Å²	144	44.8 Å²	44.8	63%	0.626	23%	0.233	S	C	*	.	H	α-helix	trans	-63.5	-52.3	175.1	-174.8	-172.3	171	-172.5	0	110.6	T632 K636 N637 D638	T632-K634 PolarHBondContact O-N 2.61Å; K634-K636 PolarHBondContact O-N 3.37Å; K634-N637 PolarHBondContact O-N 3.04Å; K634-N637 VanDerWaalsContact O-N 3.11Å; K634-D638 WeakPolarHBondContact CE-OD2 3.3Å; K634-D638 WeakPolarHBondContact O-CB 3.12Å; K634-D638 VanDerWaalsContact O-CG 3.24Å; K634-D638 PolarHBondContact O-N 3.39Å
635	E	92.9	Very high	93	Very high	66 Å²	66	43.6 Å²	43.6	31%	0.308	24%	0.237	S	C	.	.	H	α-helix	trans	-59.7	-36.5	178.4	-71.9	162	-85.2	0	0	112.2	T630 P631 T632 W639	T630-E635 HydrophobicContact CG2-CB 4.05Å; P631-E635 WeakPolarHBondContact CD-OE2 3.43Å; T632-E635 WeakPolarHBondContact CB-OE1 3.32Å; T632-E635 WeakPolarHBondContact CG2-OE1 3.19Å; T632-E635 PolarHBondContact N-OE1 3.28Å; T632-E635 VanDerWaalsContact N-OE1 3.12Å; T632-E635 PolarHBondContact O-N 2.84Å; T632-E635 WeakPolarHBondContact OG1-CG 3.45Å; T632-E635 PolarHBondContact OG1-N 3.49Å; T632-E635 VanDerWaalsContact OG1-N 3.16Å; T632-E635 PolarHBondContact OG1-OE1 2.72Å; E635-W639 WeakPolarHBondContact O-CB 3.37Å; E635-W639 PolarHBondContact O-N 2.82Å
636	K	93.5	Very high	93.1	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-52.8	171.8	164.7	170.9	167.1	179.8	0	111.2	E602 S611 F612 T630 T632 Q633 K634 W639 V640	E602-K636 WeakPolarHBondContact OE2-CE 3.31Å; E602-K636 IonicContact OE2-NZ 3.3Å; E602-K636 PolarHBondContact OE2-NZ 2.89Å; S611-K636 VanDerWaalsContact O-CE 3.26Å; S611-K636 WeakPolarHBondContact O-CE 3.27Å; S611-K636 PolarHBondContact O-NZ 3.04Å; F612-K636 HydrophobicContact CD1-CD 4.5Å; F612-K636 HydrophobicContact CD1-CG 4.08Å; T630-K636 WeakPolarHBondContact OG1-CA 3.47Å; T630-K636 WeakPolarHBondContact OG1-CB 3.06Å; T630-K636 PolarHBondContact OG1-N 3.17Å; T630-K636 VanDerWaalsContact OG1-N 3.16Å; T632-K636 PolarHBondContact O-N 2.72Å; T632-K636 VanDerWaalsContact O-N 3.16Å; Q633-K636 PolarHBondContact O-N 2.87Å; K634-K636 PolarHBondContact O-N 3.37Å; K636-W639 PolarHBondContact O-N 3.1Å; K636-V640 HydrophobicContact CG-CG2 4.2Å; K636-V640 WeakPolarHBondContact O-CB 3.33Å; K636-V640 VanDerWaalsContact O-CG2 3.26Å; K636-V640 WeakPolarHBondContact O-CG2 3.41Å; K636-V640 PolarHBondContact O-N 3.42Å
637	N	90.5	Very high	93.1	Very high	37 Å²	37	38.9 Å²	38.9	20%	0.198	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-51.6	177.5	-67.2	-5.4	0	0	0	110.5	Q633 K634 W639 V640 D641	Q633-N637 PolarHBondContact NE2-OD1 2.87Å; Q633-N637 VanDerWaalsContact O-CG 3.29Å; Q633-N637 PolarHBondContact O-N 2.84Å; Q633-N637 PolarHBondContact O-OD1 3.38Å; K634-N637 PolarHBondContact O-N 3.04Å; K634-N637 VanDerWaalsContact O-N 3.11Å; N637-W639 PolarHBondContact O-N 3.26Å; N637-W639 VanDerWaalsContact O-N 3.08Å; N637-V640 PolarHBondContact O-N 3.47Å; N637-D641 VanDerWaalsContact O-CB 3.27Å; N637-D641 WeakPolarHBondContact O-CB 3.3Å; N637-D641 PolarHBondContact O-N 2.88Å
638	D	93	Very high	92.9	Very high	68 Å²	68	39.9 Å²	39.9	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-55.3	-31.9	178.9	-67.3	-8.9	0	0	0	112.4	K547 K634 S642	K547-D638 PolarHBondContact NZ-O 2.94Å; K634-D638 WeakPolarHBondContact CE-OD2 3.3Å; K634-D638 WeakPolarHBondContact O-CB 3.12Å; K634-D638 VanDerWaalsContact O-CG 3.24Å; K634-D638 PolarHBondContact O-N 3.39Å; D638-S642 WeakPolarHBondContact O-CB 3.48Å; D638-S642 PolarHBondContact O-OG 2.82Å
639	W	95.9	Very high	92.6	Very high	13 Å²	13	43.1 Å²	43.1	5%	0.049	23%	0.227	C	C	.	.	H	α-helix	trans	-80.1	-54	172.9	-85.4	118.9	0	0	0	113	K547 I566 L568 F612 E635 K636 N637 D641 S642 I643	K547-W639 HydrophobicContact CB-CH2 4.35Å; K547-W639 HydrophobicContact CB-CZ3 4.13Å; K547-W639 HydrophobicContact CD-CD2 4.33Å; K547-W639 HydrophobicContact CD-CE3 3.83Å; K547-W639 HydrophobicContact CD-CH2 3.9Å; K547-W639 HydrophobicContact CD-CZ2 4.39Å; K547-W639 HydrophobicContact CD-CZ3 3.59Å; K547-W639 HydrophobicContact CG-CH2 3.75Å; K547-W639 HydrophobicContact CG-CZ2 4.44Å; K547-W639 HydrophobicContact CG-CZ3 3.8Å; I566-W639 HydrophobicContact CB-CH2 3.67Å; I566-W639 HydrophobicContact CB-CZ2 4.17Å; I566-W639 HydrophobicContact CB-CZ3 3.98Å; I566-W639 HydrophobicContact CD1-CD2 3.95Å; I566-W639 HydrophobicContact CD1-CE3 3.93Å; I566-W639 HydrophobicContact CD1-CH2 4.18Å; I566-W639 HydrophobicContact CD1-CZ2 4.18Å; I566-W639 HydrophobicContact CD1-CZ3 4.06Å; I566-W639 HydrophobicContact CG2-CE3 4.24Å; I566-W639 HydrophobicContact CG2-CH2 3.6Å; I566-W639 HydrophobicContact CG2-CZ3 3.43Å; I566-W639 VanDerWaalsContact CG2-CZ3 3.43Å; L568-W639 HydrophobicContact CB-CZ3 4.15Å; L568-W639 HydrophobicContact CD2-CZ3 4.49Å; F612-W639 HydrophobicContact CE1-CB 4.41Å; F612-W639 HydrophobicContact CZ-CB 4.05Å; E635-W639 WeakPolarHBondContact O-CB 3.37Å; E635-W639 PolarHBondContact O-N 2.82Å; K636-W639 PolarHBondContact O-N 3.1Å; N637-W639 PolarHBondContact O-N 3.26Å; N637-W639 VanDerWaalsContact O-N 3.08Å; W639-D641 VanDerWaalsContact C-N 3.32Å; W639-D641 PolarHBondContact O-N 3.03Å; W639-S642 PolarHBondContact O-N 2.93Å; W639-I643 HydrophobicContact CE3-CD1 4.35Å; W639-I643 WeakPolarHBondContact O-CB 3.4Å; W639-I643 WeakPolarHBondContact O-CD1 3.5Å; W639-I643 VanDerWaalsContact O-CG1 3.22Å; W639-I643 WeakPolarHBondContact O-CG1 3.39Å; W639-I643 PolarHBondContact O-N 2.84Å
640	V	94.7	Very high	92.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-38.5	-174.7	172.7	0	0	0	0	111.5	V600 F612 K636 N637 I643 F644 R742	V600-V640 HydrophobicContact CB-CG1 4.44Å; V600-V640 HydrophobicContact CG1-CG1 3.9Å; V600-V640 HydrophobicContact CG2-CB 4.18Å; V600-V640 HydrophobicContact CG2-CG1 3.67Å; V600-V640 HydrophobicContact CG2-CG2 3.87Å; F612-V640 HydrophobicContact CB-CG2 3.83Å; F612-V640 HydrophobicContact CD1-CG2 3.82Å; F612-V640 HydrophobicContact CD2-CG2 3.62Å; F612-V640 HydrophobicContact CE1-CG2 4.21Å; F612-V640 HydrophobicContact CE2-CG2 4.03Å; F612-V640 HydrophobicContact CG-CG2 3.5Å; F612-V640 VanDerWaalsContact CG-CG2 3.5Å; F612-V640 HydrophobicContact CZ-CG2 4.3Å; K636-V640 HydrophobicContact CG-CG2 4.2Å; K636-V640 WeakPolarHBondContact O-CB 3.33Å; K636-V640 VanDerWaalsContact O-CG2 3.26Å; K636-V640 WeakPolarHBondContact O-CG2 3.41Å; K636-V640 PolarHBondContact O-N 3.42Å; N637-V640 PolarHBondContact O-N 3.47Å; V640-I643 PolarHBondContact O-N 3.29Å; V640-F644 VanDerWaalsContact O-CB 3.26Å; V640-F644 WeakPolarHBondContact O-CB 3.34Å; V640-F644 PolarHBondContact O-N 2.69Å; V640-R742 VanDerWaalsContact CG1-NE 3.31Å
641	D	93.3	Very high	92.1	Very high	69 Å²	69	45.4 Å²	45.4	37%	0.369	24%	0.238	S	C	.	.	H	α-helix	trans	-73.6	-36.4	-179.3	-59.6	-19.6	0	0	0	111	N637 W639 F644 S645 R742	N637-D641 VanDerWaalsContact O-CB 3.27Å; N637-D641 WeakPolarHBondContact O-CB 3.3Å; N637-D641 PolarHBondContact O-N 2.88Å; W639-D641 VanDerWaalsContact C-N 3.32Å; W639-D641 PolarHBondContact O-N 3.03Å; D641-F644 PolarHBondContact O-N 3.49Å; D641-S645 PolarHBondContact O-N 2.88Å; D641-R742 WeakPolarHBondContact OD1-CD 3.37Å; D641-R742 IonicContact OD1-CZ 3.56Å; D641-R742 IonicContact OD1-NE 3.48Å; D641-R742 IonicContact OD1-NH1 3.41Å; D641-R742 PolarHBondContact OD1-NH1 3.45Å
642	S	95.5	Very high	91.8	Very high	42 Å²	42	43.5 Å²	43.5	29%	0.294	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-40.9	171.5	-58.2	0	0	0	0	111.9	D638 W639 S645	D638-S642 WeakPolarHBondContact O-CB 3.48Å; D638-S642 PolarHBondContact O-OG 2.82Å; W639-S642 PolarHBondContact O-N 2.93Å; S642-S645 PolarHBondContact O-N 2.69Å
643	I	96.8	Very high	91.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.6	-34.9	176.7	-72	168.8	0	0	0	110.7	L568 V573 M598 V600 F612 L614 W639 V640 I646 I647	L568-I643 HydrophobicContact CD1-CG1 3.9Å; V573-I643 HydrophobicContact CG2-CG1 4.34Å; M598-I643 HydrophobicContact CE-CG2 3.65Å; V600-I643 HydrophobicContact CB-CG2 3.79Å; V600-I643 HydrophobicContact CG1-CG2 4Å; V600-I643 HydrophobicContact CG2-CG2 4.17Å; F612-I643 HydrophobicContact CE2-CD1 4.39Å; L614-I643 HydrophobicContact CD2-CD1 4.11Å; L614-I643 HydrophobicContact CD2-CG2 3.88Å; W639-I643 HydrophobicContact CE3-CD1 4.35Å; W639-I643 WeakPolarHBondContact O-CB 3.4Å; W639-I643 WeakPolarHBondContact O-CD1 3.5Å; W639-I643 VanDerWaalsContact O-CG1 3.22Å; W639-I643 WeakPolarHBondContact O-CG1 3.39Å; W639-I643 PolarHBondContact O-N 2.84Å; V640-I643 PolarHBondContact O-N 3.29Å; I643-I646 VanDerWaalsContact O-CG1 3.29Å; I643-I646 WeakPolarHBondContact O-CG1 3.35Å; I643-I647 HydrophobicContact CG2-CD1 4.1Å; I643-I647 WeakPolarHBondContact O-CD1 3.48Å; I643-I647 VanDerWaalsContact O-CG1 3.25Å; I643-I647 WeakPolarHBondContact O-CG1 3.45Å; I643-I647 PolarHBondContact O-N 3.47Å
644	F	94.7	Very high	90.5	Very high	54 Å²	54	43 Å²	43	24%	0.237	23%	0.228	C	C	.	.	H	α-helix	trans	-68.5	-38.7	174.9	-173.5	-83.8	0	0	0	112.1	V600 V640 D641 I646 I647 D648 N740 R742	V600-F644 HydrophobicContact CG1-CB 4.25Å; V600-F644 HydrophobicContact CG1-CD2 4.46Å; V640-F644 VanDerWaalsContact O-CB 3.26Å; V640-F644 WeakPolarHBondContact O-CB 3.34Å; V640-F644 PolarHBondContact O-N 2.69Å; D641-F644 PolarHBondContact O-N 3.49Å; F644-I646 PolarHBondContact O-N 2.85Å; F644-I647 PolarHBondContact O-N 3.01Å; F644-D648 HydrophobicContact CD1-CB 4.43Å; F644-D648 HydrophobicContact CE1-CB 4.11Å; F644-D648 PolarHBondContact O-N 3.28Å; F644-N740 WeakPolarHBondContact CE1-O 3.05Å; F644-R742 HydrophobicContact CB-CB 4.46Å; F644-R742 HydrophobicContact CD1-CB 3.8Å; F644-R742 HydrophobicContact CD1-CG 4.49Å; F644-R742 HydrophobicContact CD2-CB 4.13Å; F644-R742 HydrophobicContact CD2-CG 3.92Å; F644-R742 HydrophobicContact CE1-CB 4.03Å; F644-R742 HydrophobicContact CE2-CB 4.33Å; F644-R742 HydrophobicContact CE2-CG 4.16Å; F644-R742 HydrophobicContact CG-CB 3.87Å; F644-R742 HydrophobicContact CG-CG 4.1Å; F644-R742 HydrophobicContact CZ-CB 4.28Å
645	S	94.3	Very high	89.6	Confident	55 Å²	55	41.8 Å²	41.8	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-53.2	-55.9	176.5	-160.4	0	0	0	0	110.6	D641 S642 I647 D648 E649	D641-S645 PolarHBondContact O-N 2.88Å; S642-S645 PolarHBondContact O-N 2.69Å; S645-I647 VanDerWaalsContact C-N 3.27Å; S645-I647 PolarHBondContact O-N 2.96Å; S645-D648 PolarHBondContact O-N 2.87Å; S645-D648 VanDerWaalsContact O-N 3.09Å; S645-E649 WeakPolarHBondContact O-CB 3.38Å; S645-E649 VanDerWaalsContact O-CG 3.27Å; S645-E649 WeakPolarHBondContact O-CG 3.34Å; S645-E649 PolarHBondContact O-N 2.83Å; S645-E649 PolarHBondContact OG-OE1 2.8Å
646	I	94.8	Very high	88	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-30	-178.4	66.2	165.8	0	0	0	113.2	L546 L568 F569 V573 A595 M598 I643 F644 A650	L546-I646 HydrophobicContact CD1-CG2 3.65Å; L568-I646 HydrophobicContact CD1-CD1 3.39Å; L568-I646 HydrophobicContact CD1-CG1 4.21Å; F569-I646 WeakPolarHBondContact O-CD1 3.14Å; V573-I646 HydrophobicContact CG2-CD1 4.15Å; A595-I646 HydrophobicContact CB-CB 4.22Å; A595-I646 HydrophobicContact CB-CD1 4.02Å; A595-I646 HydrophobicContact CB-CG1 4.09Å; M598-I646 HydrophobicContact CE-CD1 3.61Å; M598-I646 HydrophobicContact CE-CG1 3.8Å; I643-I646 VanDerWaalsContact O-CG1 3.29Å; I643-I646 WeakPolarHBondContact O-CG1 3.35Å; F644-I646 PolarHBondContact O-N 2.85Å; I646-A650 WeakPolarHBondContact O-CB 3.47Å; I646-A650 PolarHBondContact O-N 3.4Å
647	I	94.2	Very high	85.8	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-43.7	174.1	-68.4	165.4	0	0	0	111.1	M598 V600 I643 F644 S645 K651	M598-I647 HydrophobicContact CE-CD1 3.78Å; M598-I647 HydrophobicContact CE-CG1 3.45Å; M598-I647 VanDerWaalsContact CE-CG1 3.45Å; M598-I647 HydrophobicContact CG-CD1 3.88Å; M598-I647 HydrophobicContact CG-CG1 3.75Å; M598-I647 HydrophobicContact SD-CG1 4.48Å; V600-I647 HydrophobicContact CB-CD1 4.35Å; V600-I647 HydrophobicContact CG1-CD1 4.01Å; I643-I647 HydrophobicContact CG2-CD1 4.1Å; I643-I647 WeakPolarHBondContact O-CD1 3.48Å; I643-I647 VanDerWaalsContact O-CG1 3.25Å; I643-I647 WeakPolarHBondContact O-CG1 3.45Å; I643-I647 PolarHBondContact O-N 3.47Å; F644-I647 PolarHBondContact O-N 3.01Å; S645-I647 VanDerWaalsContact C-N 3.27Å; S645-I647 PolarHBondContact O-N 2.96Å; I647-K651 HydrophobicContact CG2-CD 4.25Å; I647-K651 WeakPolarHBondContact O-CD 3.38Å; I647-K651 VanDerWaalsContact O-CG 3.23Å; I647-K651 WeakPolarHBondContact O-CG 3.47Å; I647-K651 PolarHBondContact O-N 3.33Å
648	D	91.4	Very high	83.8	Confident	43 Å²	43	50.2 Å²	50.2	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-73.1	-40.4	-178.8	-162.5	68.3	0	0	0	111.6	F644 S645 K651 A652 N740	F644-D648 HydrophobicContact CD1-CB 4.43Å; F644-D648 HydrophobicContact CE1-CB 4.11Å; F644-D648 PolarHBondContact O-N 3.28Å; S645-D648 PolarHBondContact O-N 2.87Å; S645-D648 VanDerWaalsContact O-N 3.09Å; D648-K651 WeakPolarHBondContact O-CB 3.3Å; D648-K651 PolarHBondContact O-N 3.05Å; D648-A652 PolarHBondContact O-N 2.94Å; D648-N740 PolarHBondContact OD1-ND2 3.1Å; D648-N740 VanDerWaalsContact OD2-CB 3.28Å; D648-N740 WeakPolarHBondContact OD2-CB 3.23Å; D648-N740 PolarHBondContact OD2-ND2 3.12Å
649	E	89.7	Confident	81.4	Confident	67 Å²	67	50.9 Å²	50.9	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-55.9	-51.8	169.7	-80.7	-177.8	-109.5	0	0	111.9	Q305 S645 K651 A652 H653	Q305-E649 WeakPolarHBondContact CG-O 3.44Å; Q305-E649 PolarHBondContact NE2-OE2 2.75Å; Q305-E649 VanDerWaalsContact OE1-C 3.27Å; Q305-E649 PolarHBondContact OE1-O 3.41Å; S645-E649 WeakPolarHBondContact O-CB 3.38Å; S645-E649 VanDerWaalsContact O-CG 3.27Å; S645-E649 WeakPolarHBondContact O-CG 3.34Å; S645-E649 PolarHBondContact O-N 2.83Å; S645-E649 PolarHBondContact OG-OE1 2.8Å; E649-K651 VanDerWaalsContact C-N 3.29Å; E649-K651 PolarHBondContact O-N 3.25Å; E649-A652 WeakPolarHBondContact O-CB 3.21Å; E649-A652 PolarHBondContact O-N 3.25Å; E649-A652 VanDerWaalsContact O-N 3.09Å; E649-H653 PolarHBondContact O-N 2.84Å
650	A	88.1	Confident	78.7	Confident	5 Å²	5	54.3 Å²	54.3	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-37.1	176.7	0	0	0	0	0	112.9	L303 A595 I646 H653 S654	L303-A650 HydrophobicContact CD2-CB 4.38Å; A595-A650 HydrophobicContact CB-CB 3.89Å; I646-A650 WeakPolarHBondContact O-CB 3.47Å; I646-A650 PolarHBondContact O-N 3.4Å; A650-H653 PolarHBondContact O-N 3.23Å; A650-S654 PolarHBondContact O-N 2.77Å
651	K	87.4	Confident	75.9	Confident	97 Å²	97	58.9 Å²	58.9	42%	0.422	35%	0.345	S	S	.	.	H	α-helix	trans	-66.8	-41.7	173.3	-70.1	163.2	-171.5	167.5	0	112.2	I647 D648 E649 H653 S654 L655	I647-K651 HydrophobicContact CG2-CD 4.25Å; I647-K651 WeakPolarHBondContact O-CD 3.38Å; I647-K651 VanDerWaalsContact O-CG 3.23Å; I647-K651 WeakPolarHBondContact O-CG 3.47Å; I647-K651 PolarHBondContact O-N 3.33Å; D648-K651 WeakPolarHBondContact O-CB 3.3Å; D648-K651 PolarHBondContact O-N 3.05Å; E649-K651 VanDerWaalsContact C-N 3.29Å; E649-K651 PolarHBondContact O-N 3.25Å; K651-H653 VanDerWaalsContact C-N 3.29Å; K651-H653 PolarHBondContact O-N 2.64Å; K651-S654 PolarHBondContact O-N 3.41Å; K651-S654 PolarHBondContact O-OG 2.63Å; K651-L655 WeakPolarHBondContact O-CG 3.36Å; K651-L655 PolarHBondContact O-N 3.48Å; K651-L655 VanDerWaalsContact O-N 3.11Å
652	A	83.2	Confident	73.2	Confident	48 Å²	48	67.1 Å²	67.1	40%	0.397	37%	0.37	S	S	.	.	H	α-helix	trans	-61.7	-40.9	174.5	0	0	0	0	0	111.1	D648 E649 L655 T656	D648-A652 PolarHBondContact O-N 2.94Å; E649-A652 WeakPolarHBondContact O-CB 3.21Å; E649-A652 PolarHBondContact O-N 3.25Å; E649-A652 VanDerWaalsContact O-N 3.09Å; A652-L655 PolarHBondContact O-N 2.75Å; A652-T656 PolarHBondContact O-N 3.36Å; A652-T656 PolarHBondContact O-OG1 2.85Å
653	H	75.9	Confident	70.2	Confident	36 Å²	36	69.9 Å²	69.9	17%	0.167	39%	0.39	C	S	.	.	H	α-helix	trans	-62.3	-37.9	175.7	-100.8	7.5	0	0	0	113.3	L303 Q305 S306 E649 A650 K651 T656	L303-H653 HydrophobicContact CD2-CB 4.3Å; Q305-H653 WeakPolarHBondContact CA-CE1 3.47Å; Q305-H653 WeakPolarHBondContact CA-ND1 3.48Å; Q305-H653 HydrophobicContact CB-CB 3.59Å; Q305-H653 WeakPolarHBondContact CB-CD2 3.12Å; Q305-H653 WeakPolarHBondContact CB-CE1 3.03Å; Q305-H653 WeakPolarHBondContact CB-ND1 3.36Å; Q305-H653 WeakPolarHBondContact CB-NE2 3.11Å; Q305-H653 VanDerWaalsContact CD-CE1 3.42Å; Q305-H653 VanDerWaalsContact CD-CG 3.41Å; Q305-H653 HydrophobicContact CG-CB 3.26Å; Q305-H653 WeakPolarHBondContact CG-CD2 3.46Å; Q305-H653 WeakPolarHBondContact CG-CE1 3.44Å; Q305-H653 WeakPolarHBondContact CG-ND1 3.09Å; Q305-H653 WeakPolarHBondContact CG-NE2 3.14Å; Q305-H653 PolarHBondContact NE2-NE2 2.94Å; Q305-H653 PolarHBondContact OE1-CD2 2.88Å; Q305-H653 PolarHBondContact OE1-NE2 2.93Å; S306-H653 VanDerWaalsContact CA-CE1 3.46Å; S306-H653 WeakPolarHBondContact CA-CE1 3.32Å; S306-H653 WeakPolarHBondContact CB-CE1 3.26Å; S306-H653 PolarHBondContact N-CE1 3.23Å; S306-H653 PolarHBondContact N-ND1 2.73Å; S306-H653 PolarHBondContact OG-CE1 3.49Å; S306-H653 VanDerWaalsContact OG-CE1 3.24Å; S306-H653 PolarHBondContact OG-NE2 3.43Å; E649-H653 PolarHBondContact O-N 2.84Å; A650-H653 PolarHBondContact O-N 3.23Å; K651-H653 VanDerWaalsContact C-N 3.29Å; K651-H653 PolarHBondContact O-N 2.64Å; H653-T656 PolarHBondContact O-OG1 2.99Å
654	S	73.2	Confident	67	Low	52 Å²	52	75.5 Å²	75.5	36%	0.364	43%	0.429	S	S	.	.	H	α-helix	trans	-74.4	-33.9	176	68.6	0	0	0	0	113.7	A650 K651 F657 T658	A650-S654 PolarHBondContact O-N 2.77Å; K651-S654 PolarHBondContact O-N 3.41Å; K651-S654 PolarHBondContact O-OG 2.63Å; S654-F657 PolarHBondContact O-N 3.42Å; S654-T658 PolarHBondContact O-N 2.74Å; S654-T658 PolarHBondContact O-OG1 3.26Å; S654-T658 VanDerWaalsContact O-OG1 3.11Å
655	L	67.7	Low	64.2	Low	118 Å²	118	80.3 Å²	80.3	62%	0.618	46%	0.456	S	S	*	.	H	α-helix	trans	-63.9	-39	174.2	-69.9	171	0	0	0	112.2	K651 A652 F657 T658 S659	K651-L655 WeakPolarHBondContact O-CG 3.36Å; K651-L655 PolarHBondContact O-N 3.48Å; K651-L655 VanDerWaalsContact O-N 3.11Å; A652-L655 PolarHBondContact O-N 2.75Å; L655-F657 VanDerWaalsContact C-N 3.26Å; L655-F657 PolarHBondContact O-N 2.94Å; L655-T658 PolarHBondContact O-OG1 3.37Å; L655-S659 PolarHBondContact O-OG 3.33Å
656	T	60.1	Low	61.3	Low	71 Å²	71	83.3 Å²	83.3	44%	0.436	48%	0.477	S	S	.	.	H	α-helix	trans	-65.6	-24.1	178.7	41	0	0	0	0	114.7	A652 H653 S659 S660	A652-T656 PolarHBondContact O-N 3.36Å; A652-T656 PolarHBondContact O-OG1 2.85Å; H653-T656 PolarHBondContact O-OG1 2.99Å; T656-S659 PolarHBondContact O-OG 3.1Å; T656-S660 PolarHBondContact O-OG 3.47Å
657	F	47.2	Very low	58.2	Low	114 Å²	114	91.5 Å²	91.5	50%	0.5	52%	0.515	S	S	.	.	H	α-helix	trans	-89.8	-35.5	-178.6	-88.1	-114.7	0	0	0	112.4	S304 S654 L655 S659 S660	S304-F657 VanDerWaalsContact O-CE2 3.24Å; S304-F657 WeakPolarHBondContact O-CE2 3.31Å; S304-F657 WeakPolarHBondContact O-CZ 3.34Å; S654-F657 PolarHBondContact O-N 3.42Å; L655-F657 VanDerWaalsContact C-N 3.26Å; L655-F657 PolarHBondContact O-N 2.94Å; F657-S659 VanDerWaalsContact C-N 3.29Å; F657-S659 PolarHBondContact O-N 3.01Å; F657-S660 PolarHBondContact O-N 2.66Å
658	T	47.8	Very low	55.3	Low	98 Å²	98	97.7 Å²	97.7	60%	0.601	55%	0.548	S	S	*	.	H	α-helix	trans	-71.3	-19.8	179.3	47.1	0	0	0	0	113.9	S654 L655	S654-T658 PolarHBondContact O-N 2.74Å; S654-T658 PolarHBondContact O-OG1 3.26Å; S654-T658 VanDerWaalsContact O-OG1 3.11Å; L655-T658 PolarHBondContact O-OG1 3.37Å
659	S	43.2	Very low	52.5	Low	82 Å²	82	102 Å²	102	57%	0.573	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-20.1	176.5	47.9	0	0	0	0	115.3	L655 T656 F657	L655-S659 PolarHBondContact O-OG 3.33Å; T656-S659 PolarHBondContact O-OG 3.1Å; F657-S659 VanDerWaalsContact C-N 3.29Å; F657-S659 PolarHBondContact O-N 3.01Å
660	S	39.5	Very low	49.7	Very low	86 Å²	86	105.3 Å²	105.3	60%	0.601	59%	0.591	S	S	*	*	S	Bend	trans	-92	-15	-168.3	-58.9	0	0	0	0	114.4	T656 F657 R662	T656-S660 PolarHBondContact O-OG 3.47Å; F657-S660 PolarHBondContact O-N 2.66Å; S660-R662 PolarHBondContact O-N 3.12Å
661	S	36.8	Very low	47	Very low	96 Å²	96	112 Å²	112	67%	0.671	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	15.4	-170.1	52	0	0	0	0	115.4
662	R	36.4	Very low	44.5	Very low	241 Å²	241	112.5 Å²	112.5	91%	0.909	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	6.5	178.8	-77.5	-171	174.4	-177	-0.2	115.7	S660	S660-R662 PolarHBondContact O-N 3.12Å
663	S	32.3	Very low	42.6	Very low	100 Å²	100	118.7 Å²	118.7	70%	0.699	67%	0.667	S	S	*	*			trans	-147.9	80.5	-177.5	56.9	0	0	0	0	113
664	S	30.2	Very low	41.8	Very low	118 Å²	118	122.8 Å²	122.8	83%	0.825	69%	0.686	S	S	*	*			trans	-128.3	49.6	178	60	0	0	0	0	112.6
665	I	35.3	Very low	41.3	Very low	156 Å²	156	123 Å²	123	80%	0.8	69%	0.687	S	S	*	*	S	Bend	trans	-137.3	142	166.6	-62.6	-177.5	0	0	0	108.6
666	S	32.8	Very low	41.8	Very low	118 Å²	118	124 Å²	124	83%	0.825	69%	0.686	S	S	*	*			trans	68.5	125.4	177.5	63.7	0	0	0	0	116.9
667	E	29.9	Very low	42.9	Very low	172 Å²	172	124.3 Å²	124.3	80%	0.804	68%	0.683	S	S	*	*			trans	-95.3	179.7	179.8	-56.4	161.7	119.2	0	0	111.7
668	N	32.5	Very low	44.7	Very low	134 Å²	134	118.9 Å²	118.9	72%	0.717	66%	0.659	S	S	*	*			trans	81.2	132.5	158.2	-61.7	-52.6	0	0	0	120.1
669	N	33.2	Very low	46.4	Very low	134 Å²	134	116.4 Å²	116.4	72%	0.717	65%	0.649	S	S	*	*			trans	69.6	96	152.6	-64.9	-33.9	0	0	0	120.6
670	N	30.4	Very low	48.2	Very low	135 Å²	135	115.7 Å²	115.7	72%	0.722	64%	0.638	S	S	*	*				70.5	143.3	127.5	-62.2	-30.6	0	0	0	121.4
671	N	31.7	Very low	50.5	Low	145 Å²	145	114.7 Å²	114.7	78%	0.775	63%	0.631	S	S	*	*	S	Bend	trans	72	104.1	161	-57.4	-36	0	0	0	118.4
672	S	36	Very low	52.3	Low	109 Å²	109	115.8 Å²	115.8	76%	0.762	63%	0.629	S	S	*	*			trans	45.4	92.6	152	61	0	0	0	0	116.9	E674	S672-E674 VanDerWaalsContact C-N 3.29Å; S672-E674 PolarHBondContact O-N 3.35Å
673	I	42.6	Very low	54.3	Low	178 Å²	178	108.9 Å²	108.9	91%	0.913	61%	0.609	S	S	*	*			trans	-69.8	87.4	171.1	-57.5	179.7	0	0	0	109.8
674	E	58.5	Low	56.6	Low	122 Å²	122	109.2 Å²	109.2	57%	0.57	60%	0.6	S	S	*	*			trans	-68.6	124.4	173.1	-146.8	-169.4	-168.9	0	0	108.9	S672 K676 R700	S672-E674 VanDerWaalsContact C-N 3.29Å; S672-E674 PolarHBondContact O-N 3.35Å; E674-K676 PolarHBondContact O-N 2.73Å; E674-R700 IonicContact OE1-CZ 2.7Å; E674-R700 IonicContact OE1-NH2 3.42Å; E674-R700 PolarHBondContact OE1-NH2 3.41Å; E674-R700 IonicContact OE2-CZ 3.73Å; E674-R700 IonicContact OE2-NH1 3.37Å; E674-R700 PolarHBondContact OE2-NH1 2.73Å; E674-R700 VanDerWaalsContact OE2-NH1 3.14Å; E674-R700 IonicContact OE2-NH2 3.81Å; E674-R700 PolarHBondContact OE2-NH2 2.87Å
675	S	63.8	Low	59.1	Low	55 Å²	55	105 Å²	105	39%	0.385	57%	0.567	S	S	.	*			trans	-55.4	133.6	-168.1	73.3	0	0	0	0	112.9	H677 F685 R700	S675-H677 PolarHBondContact OG-O 2.99Å; S675-F685 WeakPolarHBondContact O-CD2 2.92Å; S675-R700 WeakPolarHBondContact O-CD 3.44Å; S675-R700 PolarHBondContact O-NH1 3.15Å; S675-R700 WeakPolarHBondContact OG-CB 3.44Å
676	K	77.7	Confident	60.8	Low	139 Å²	139	99.3 Å²	99.3	60%	0.604	55%	0.546	S	S	*	.	S	Bend	trans	-76.2	-20.5	178.1	-72.9	-170.5	176.3	-175	0	113.8	E674 E684 F685	E674-K676 PolarHBondContact O-N 2.73Å; K676-E684 HydrophobicContact CB-CG 4.48Å; K676-F685 VanDerWaalsContact C-CD2 3.47Å; K676-F685 WeakPolarHBondContact O-CB 3.45Å; K676-F685 WeakPolarHBondContact O-CD2 3.38Å; K676-F685 WeakPolarHBondContact O-CG 3.49Å; K676-F685 PolarHBondContact O-N 3.44Å
677	H	82.3	Confident	62.4	Low	79 Å²	79	104 Å²	104	37%	0.366	55%	0.552	S	S	.	*	B	Isolated β-bridge	trans	-112.5	155.7	-175.7	-56.5	109.2	0	0	0	113	S675 A679 D682 F685	S675-H677 PolarHBondContact OG-O 2.99Å; H677-A679 PolarHBondContact O-N 2.81Å; H677-D682 WeakPolarHBondContact CB-O 3.23Å; H677-D682 WeakPolarHBondContact CB-OD1 3.42Å; H677-D682 PolarHBondContact CD2-O 2.97Å; H677-D682 IonicContact CG-OD1 2.9Å; H677-F685 VanDerWaalsContact C-CE2 3.43Å; H677-F685 WeakPolarHBondContact O-CE2 3.43Å
678	C	86	Confident	63.9	Low	0 Å²	0	104.3 Å²	104.3	0%	0	56%	0.558	C	S	.	*			trans	-74.4	114.2	174.1	179.1	0	0	0	0	112	D680 C681 D682 I683 F685 C702	C678-D680 PolarHBondContact O-N 2.98Å; C678-C681 PolarHBondContact O-N 3.25Å; C678-D682 VanDerWaalsContact O-CA 3.27Å; C678-D682 WeakPolarHBondContact O-CA 3.3Å; C678-D682 PolarHBondContact O-N 3.42Å; C678-I683 HydrophobicContact CB-CG2 3.78Å; C678-I683 PolarHBondContact N-O 2.91Å; C678-F685 HydrophobicContact CB-CE1 4.03Å; C678-F685 HydrophobicContact CB-CZ 3.93Å; C678-C702 HydrophobicContact CB-CB 4Å; C678-C702 PolarHBondContact SG-N 2.88Å; C678-C702 VanDerWaalsContact SG-SG 3.7Å
679	A	83.3	Confident	65.3	Low	46 Å²	46	100.4 Å²	100.4	38%	0.38	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-7.8	-173.9	0	0	0	0	0	116.6	H677 R699 R700 L701	H677-A679 PolarHBondContact O-N 2.81Å; A679-R699 HydrophobicContact CB-CB 4.02Å; A679-R699 HydrophobicContact CB-CG 4.35Å; A679-R699 PolarHBondContact O-NH2 3.47Å; A679-R700 PolarHBondContact N-O 2.98Å; A679-L701 HydrophobicContact CB-CD2 3.87Å
680	D	81.9	Confident	67.1	Low	66 Å²	66	103.3 Å²	103.3	35%	0.353	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-18.1	174.5	-82.2	-44.2	0	0	0	114.6	C678 R699 L701 C705	C678-D680 PolarHBondContact O-N 2.98Å; D680-R699 VanDerWaalsContact CG-NH1 3.31Å; D680-R699 IonicContact OD1-CZ 2.89Å; D680-R699 IonicContact OD1-NH1 3.16Å; D680-R699 PolarHBondContact OD1-NH1 3.02Å; D680-R699 IonicContact OD1-NH2 2.64Å; D680-R699 PolarHBondContact OD1-NH2 3.42Å; D680-R699 IonicContact OD2-NH1 3.35Å; D680-R699 PolarHBondContact OD2-NH1 3.15Å; D680-L701 HydrophobicContact CB-CD2 3.85Å; D680-L701 WeakPolarHBondContact OD2-CD1 3.47Å; D680-L701 WeakPolarHBondContact OD2-CD2 3.18Å; D680-C705 HydrophobicContact CB-CB 3.69Å
681	C	86.5	Confident	69.6	Low	66 Å²	66	97.2 Å²	97.2	45%	0.446	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	14.2	-174.7	79.9	0	0	0	0	114.4	C678 I683	C678-C681 PolarHBondContact O-N 3.25Å; C681-I683 PolarHBondContact O-N 3.24Å; C681-I683 VanDerWaalsContact SG-CG2 3.53Å
682	D	76	Confident	72.2	Confident	118 Å²	118	90.8 Å²	90.8	63%	0.631	48%	0.478	S	S	*	.			trans	46.5	6.6	179.6	-134	28.1	0	0	0	118.8	H677 C678 E684	H677-D682 WeakPolarHBondContact CB-O 3.23Å; H677-D682 WeakPolarHBondContact CB-OD1 3.42Å; H677-D682 PolarHBondContact CD2-O 2.97Å; H677-D682 IonicContact CG-OD1 2.9Å; C678-D682 VanDerWaalsContact O-CA 3.27Å; C678-D682 WeakPolarHBondContact O-CA 3.3Å; C678-D682 PolarHBondContact O-N 3.42Å; D682-E684 PolarHBondContact O-N 3.26Å
683	I	78.4	Confident	74.7	Confident	96 Å²	96	91.5 Å²	91.5	49%	0.492	47%	0.467	S	S	.	.			trans	-62.3	132.4	179.9	-160.8	167.4	0	0	0	111.4	C678 C681 C702	C678-I683 HydrophobicContact CB-CG2 3.78Å; C678-I683 PolarHBondContact N-O 2.91Å; C681-I683 PolarHBondContact O-N 3.24Å; C681-I683 VanDerWaalsContact SG-CG2 3.53Å; I683-C702 HydrophobicContact CG2-CB 3.87Å
684	E	79.7	Confident	76.9	Confident	108 Å²	108	83 Å²	83	51%	0.505	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-70.2	140.3	-178.1	-164.5	178.6	-164.2	0	0	112.3	K676 D682 G686	K676-E684 HydrophobicContact CB-CG 4.48Å; D682-E684 PolarHBondContact O-N 3.26Å; E684-G686 PolarHBondContact O-N 2.86Å
685	F	82.5	Confident	78.3	Confident	30 Å²	30	81 Å²	81	13%	0.132	42%	0.419	C	S	.	.			trans	-80.7	66.3	172.7	-59.8	-41.2	0	0	0	111.1	S675 K676 H677 C678 S689 G691 R700 C702	S675-F685 WeakPolarHBondContact O-CD2 2.92Å; K676-F685 VanDerWaalsContact C-CD2 3.47Å; K676-F685 WeakPolarHBondContact O-CB 3.45Å; K676-F685 WeakPolarHBondContact O-CD2 3.38Å; K676-F685 WeakPolarHBondContact O-CG 3.49Å; K676-F685 PolarHBondContact O-N 3.44Å; H677-F685 VanDerWaalsContact C-CE2 3.43Å; H677-F685 WeakPolarHBondContact O-CE2 3.43Å; C678-F685 HydrophobicContact CB-CE1 4.03Å; C678-F685 HydrophobicContact CB-CZ 3.93Å; F685-S689 VanDerWaalsContact CA-O 3.31Å; F685-S689 WeakPolarHBondContact CA-O 3.2Å; F685-S689 WeakPolarHBondContact CB-O 3.19Å; F685-S689 WeakPolarHBondContact CD1-O 3.37Å; F685-S689 WeakPolarHBondContact CG-O 3.31Å; F685-G691 VanDerWaalsContact CZ-CA 3.46Å; F685-R700 HydrophobicContact CE2-CB 4.37Å; F685-R700 HydrophobicContact CE2-CG 3.69Å; F685-R700 HydrophobicContact CZ-CG 4.09Å; F685-C702 HydrophobicContact CE1-CB 3.96Å
686	G	71.5	Confident	79.2	Confident	36 Å²	36	83.6 Å²	83.6	37%	0.371	42%	0.424	S	S	.	.			trans	-56.2	167.6	169.4	0	0	0	0	0	112.5	E684 L688 S689	E684-G686 PolarHBondContact O-N 2.86Å; G686-L688 PolarHBondContact O-N 3.28Å; G686-S689 PolarHBondContact O-N 3.08Å
687	F	65.7	Low	79.6	Confident	215 Å²	215	79.2 Å²	79.2	94%	0.943	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43	-37.4	-165.9	-74.8	-90.2	0	0	0	117.2
688	L	62	Low	79.8	Confident	180 Å²	180	78.9 Å²	78.9	94%	0.942	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-17.7	179.1	-65	168.2	0	0	0	114.2	G686 R690	G686-L688 PolarHBondContact O-N 3.28Å; L688-R690 PolarHBondContact O-N 2.83Å
689	S	61.9	Low	79.8	Confident	51 Å²	51	83.2 Å²	83.2	36%	0.357	43%	0.433	S	S	.	.			trans	-101.4	62.6	-166.7	-168.5	0	0	0	0	112.8	F685 G686 G691	F685-S689 VanDerWaalsContact CA-O 3.31Å; F685-S689 WeakPolarHBondContact CA-O 3.2Å; F685-S689 WeakPolarHBondContact CB-O 3.19Å; F685-S689 WeakPolarHBondContact CD1-O 3.37Å; F685-S689 WeakPolarHBondContact CG-O 3.31Å; G686-S689 PolarHBondContact O-N 3.08Å; S689-G691 PolarHBondContact O-N 2.75Å
690	R	70.8	Confident	80	Confident	195 Å²	195	82.6 Å²	82.6	74%	0.736	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-68.7	118.2	178.2	-74.2	-179.6	172.6	157.2	-2.3	112.6	L688 R710	L688-R690 PolarHBondContact O-N 2.83Å; R690-R710 PolarHBondContact O-NH1 2.72Å
691	G	81.8	Confident	80.3	Confident	8 Å²	8	79.5 Å²	79.5	8%	0.082	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-70.2	141.6	172.7	0	0	0	0	0	113.4	F685 S689 R700 L701	F685-G691 VanDerWaalsContact CZ-CA 3.46Å; S689-G691 PolarHBondContact O-N 2.75Å; G691-R700 PolarHBondContact O-NE 3.31Å; G691-L701 CarbonylContact C-O 3.56Å; G691-L701 WeakPolarHBondContact CA-O 3.19Å
692	S	88	Confident	80.3	Confident	10 Å²	10	76.8 Å²	76.8	7%	0.07	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.3	179.8	-66.6	0	0	0	0	111.3	R700 L701 F706	S692-R700 CarbonylContact O-C 3.57Å; S692-R700 WeakPolarHBondContact O-CA 3.23Å; S692-L701 PolarHBondContact N-O 2.87Å; S692-L701 PolarHBondContact O-N 3.33Å; S692-F706 VanDerWaalsContact O-CD2 3.28Å; S692-F706 WeakPolarHBondContact O-CD2 3.28Å; S692-F706 WeakPolarHBondContact O-CE2 3.42Å
693	K	88.7	Confident	80.8	Confident	123 Å²	123	78.8 Å²	78.8	54%	0.535	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.9	176.6	-166.1	177.7	-180	-179	0	110.7	S698	K693-S698 VanDerWaalsContact CE-CB 3.4Å; K693-S698 WeakPolarHBondContact CE-O 3.33Å; K693-S698 WeakPolarHBondContact CE-OG 3.48Å; K693-S698 VanDerWaalsContact CG-O 3.3Å; K693-S698 WeakPolarHBondContact CG-O 3.25Å; K693-S698 PolarHBondContact NZ-OG 2.85Å
694	C	88	Confident	81.2	Confident	1 Å²	1	83.5 Å²	83.5	1%	0.007	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-79.9	134.1	174.1	178.6	0	0	0	0	110.4	S698 R699 F706 R717 C719	C694-S698 WeakPolarHBondContact O-CA 3.26Å; C694-S698 PolarHBondContact O-N 2.81Å; C694-R699 PolarHBondContact N-O 3.12Å; C694-F706 HydrophobicContact CB-CE2 4.05Å; C694-F706 HydrophobicContact CB-CZ 4.26Å; C694-R717 CarbonylContact C-O 3.56Å; C694-R717 WeakPolarHBondContact CA-O 3.38Å; C694-C719 HydrophobicContact CB-CB 4.22Å; C694-C719 PolarHBondContact SG-N 3.48Å; C694-C719 VanDerWaalsContact SG-N 3.37Å; C694-C719 VanDerWaalsContact SG-SG 3.64Å
695	V	87.2	Confident	81.4	Confident	78 Å²	78	79.9 Å²	79.9	47%	0.473	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-39.2	178.7	177.9	0	0	0	0	111.5	R717	V695-R717 WeakPolarHBondContact CG2-O 3.43Å; V695-R717 PolarHBondContact N-O 3.42Å
696	K	84.1	Confident	81.8	Confident	111 Å²	111	78.4 Å²	78.4	48%	0.483	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-37	-177.8	-169.5	174.4	-175	177.5	0	113.8	I718 C722 N725 M726	K696-I718 HydrophobicContact CB-CG1 4.42Å; K696-I718 HydrophobicContact CB-CG2 4.33Å; K696-C722 HydrophobicContact CB-CB 4.03Å; K696-C722 HydrophobicContact CD-CB 4.01Å; K696-C722 HydrophobicContact CG-CB 4.39Å; K696-N725 PolarHBondContact NZ-O 3.41Å; K696-M726 HydrophobicContact CD-CE 4.48Å; K696-M726 HydrophobicContact CD-CG 4.33Å; K696-M726 VanDerWaalsContact NZ-CG 3.31Å
697	C	86.3	Confident	82.3	Confident	47 Å²	47	77.4 Å²	77.4	32%	0.318	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	5.4	-174.6	71.5	0	0	0	0	115.7	R699 C722	C697-R699 PolarHBondContact O-N 3.03Å; C697-C722 VanDerWaalsContact CB-SG 3.53Å; C697-C722 PolarHBondContact SG-SG 2.97Å
698	S	85.2	Confident	82.9	Confident	71 Å²	71	78 Å²	78	50%	0.497	37%	0.371	S	S	.	.			trans	56.7	-4	-177.3	-83.6	0	0	0	0	118	K693 C694	K693-S698 VanDerWaalsContact CE-CB 3.4Å; K693-S698 WeakPolarHBondContact CE-O 3.33Å; K693-S698 WeakPolarHBondContact CE-OG 3.48Å; K693-S698 VanDerWaalsContact CG-O 3.3Å; K693-S698 WeakPolarHBondContact CG-O 3.25Å; K693-S698 PolarHBondContact NZ-OG 2.85Å; C694-S698 WeakPolarHBondContact O-CA 3.26Å; C694-S698 PolarHBondContact O-N 2.81Å
699	R	85.7	Confident	83.3	Confident	91 Å²	91	75.6 Å²	75.6	34%	0.343	35%	0.35	S	S	.	.			trans	-64.6	139.5	177.3	-65.8	172.7	79.4	-139.3	12.2	111.1	A679 D680 C694 C697 L701	A679-R699 HydrophobicContact CB-CB 4.02Å; A679-R699 HydrophobicContact CB-CG 4.35Å; A679-R699 PolarHBondContact O-NH2 3.47Å; D680-R699 VanDerWaalsContact CG-NH1 3.31Å; D680-R699 IonicContact OD1-CZ 2.89Å; D680-R699 IonicContact OD1-NH1 3.16Å; D680-R699 PolarHBondContact OD1-NH1 3.02Å; D680-R699 IonicContact OD1-NH2 2.64Å; D680-R699 PolarHBondContact OD1-NH2 3.42Å; D680-R699 IonicContact OD2-NH1 3.35Å; D680-R699 PolarHBondContact OD2-NH1 3.15Å; C694-R699 PolarHBondContact N-O 3.12Å; C697-R699 PolarHBondContact O-N 3.03Å; R699-L701 HydrophobicContact CB-CD2 4.42Å
700	R	88	Confident	83.7	Confident	34 Å²	34	76 Å²	76	13%	0.128	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.9	177.6	-167.6	-177.1	-171.9	177	20.6	110.3	E674 S675 A679 F685 G691 S692	E674-R700 IonicContact OE1-CZ 2.7Å; E674-R700 IonicContact OE1-NH2 3.42Å; E674-R700 PolarHBondContact OE1-NH2 3.41Å; E674-R700 IonicContact OE2-CZ 3.73Å; E674-R700 IonicContact OE2-NH1 3.37Å; E674-R700 PolarHBondContact OE2-NH1 2.73Å; E674-R700 VanDerWaalsContact OE2-NH1 3.14Å; E674-R700 IonicContact OE2-NH2 3.81Å; E674-R700 PolarHBondContact OE2-NH2 2.87Å; S675-R700 WeakPolarHBondContact O-CD 3.44Å; S675-R700 PolarHBondContact O-NH1 3.15Å; S675-R700 WeakPolarHBondContact OG-CB 3.44Å; A679-R700 PolarHBondContact N-O 2.98Å; F685-R700 HydrophobicContact CE2-CB 4.37Å; F685-R700 HydrophobicContact CE2-CG 3.69Å; F685-R700 HydrophobicContact CZ-CG 4.09Å; G691-R700 PolarHBondContact O-NE 3.31Å; S692-R700 CarbonylContact O-C 3.57Å; S692-R700 WeakPolarHBondContact O-CA 3.23Å
701	L	87.5	Confident	83.9	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149	-168.6	-53.3	172.4	0	0	0	112.5	A679 D680 G691 S692 R699 C705 F706 C719	A679-L701 HydrophobicContact CB-CD2 3.87Å; D680-L701 HydrophobicContact CB-CD2 3.85Å; D680-L701 WeakPolarHBondContact OD2-CD1 3.47Å; D680-L701 WeakPolarHBondContact OD2-CD2 3.18Å; G691-L701 CarbonylContact C-O 3.56Å; G691-L701 WeakPolarHBondContact CA-O 3.19Å; S692-L701 PolarHBondContact N-O 2.87Å; S692-L701 PolarHBondContact O-N 3.33Å; R699-L701 HydrophobicContact CB-CD2 4.42Å; L701-C705 HydrophobicContact CB-CB 4.15Å; L701-C705 HydrophobicContact CD2-CB 4.39Å; L701-F706 HydrophobicContact CB-CB 4.02Å; L701-F706 HydrophobicContact CB-CD2 3.98Å; L701-F706 HydrophobicContact CB-CG 4.49Å; L701-F706 HydrophobicContact CD1-CD2 4.38Å; L701-C719 HydrophobicContact CD1-CB 3.53Å
702	C	88.3	Confident	83.6	Confident	9 Å²	9	75.8 Å²	75.8	6%	0.061	35%	0.353	C	S	.	.			trans	-69.5	173.3	174.6	78.5	0	0	0	0	111.4	C678 I683 F685 K704 C705 F706	C678-C702 HydrophobicContact CB-CB 4Å; C678-C702 PolarHBondContact SG-N 2.88Å; C678-C702 VanDerWaalsContact SG-SG 3.7Å; I683-C702 HydrophobicContact CG2-CB 3.87Å; F685-C702 HydrophobicContact CE1-CB 3.96Å; C702-K704 PolarHBondContact O-N 3.02Å; C702-K704 PolarHBondContact SG-N 3.18Å; C702-C705 PolarHBondContact O-N 2.86Å; C702-C705 PolarHBondContact SG-N 3.19Å; C702-C705 VanDerWaalsContact SG-N 3.42Å; C702-F706 VanDerWaalsContact O-CB 3.31Å; C702-F706 WeakPolarHBondContact O-CB 3.38Å; C702-F706 PolarHBondContact O-N 3.19Å
703	K	86.3	Confident	83.1	Confident	161 Å²	161	78.6 Å²	78.6	70%	0.7	37%	0.373	S	S	*	.	H	α-helix	trans	-58.6	-33.3	-179.8	-170.3	-177.5	177.5	-172.7	0	113
704	K	85.3	Confident	82.5	Confident	194 Å²	194	81.8 Å²	81.8	84%	0.843	39%	0.387	S	S	*	.	H	α-helix	trans	-72.1	-56.8	177.2	-67.7	-174.5	176.5	-177.4	0	111.4	C702 F706 G707	C702-K704 PolarHBondContact O-N 3.02Å; C702-K704 PolarHBondContact SG-N 3.18Å; K704-F706 PolarHBondContact O-N 3.09Å; K704-G707 PolarHBondContact O-N 3.44Å
705	C	85.1	Confident	82	Confident	32 Å²	32	90.2 Å²	90.2	22%	0.216	42%	0.423	C	S	.	.	H	α-helix	trans	-73.3	-25.7	-174.1	-58.4	0	0	0	0	114.7	D680 L701 C702 G707	D680-C705 HydrophobicContact CB-CB 3.69Å; L701-C705 HydrophobicContact CB-CB 4.15Å; L701-C705 HydrophobicContact CD2-CB 4.39Å; C702-C705 PolarHBondContact O-N 2.86Å; C702-C705 PolarHBondContact SG-N 3.19Å; C702-C705 VanDerWaalsContact SG-N 3.42Å; C705-G707 VanDerWaalsContact C-N 3.25Å; C705-G707 PolarHBondContact O-N 3.21Å
706	F	89.9	Confident	81.7	Confident	0 Å²	0	91.8 Å²	91.8	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-64.6	-35.6	173.7	-157.9	-76.4	0	0	0	111.5	S692 C694 L701 C702 K704 R710 R717 I718 C719 D720	S692-F706 VanDerWaalsContact O-CD2 3.28Å; S692-F706 WeakPolarHBondContact O-CD2 3.28Å; S692-F706 WeakPolarHBondContact O-CE2 3.42Å; C694-F706 HydrophobicContact CB-CE2 4.05Å; C694-F706 HydrophobicContact CB-CZ 4.26Å; L701-F706 HydrophobicContact CB-CB 4.02Å; L701-F706 HydrophobicContact CB-CD2 3.98Å; L701-F706 HydrophobicContact CB-CG 4.49Å; L701-F706 HydrophobicContact CD1-CD2 4.38Å; C702-F706 VanDerWaalsContact O-CB 3.31Å; C702-F706 WeakPolarHBondContact O-CB 3.38Å; C702-F706 PolarHBondContact O-N 3.19Å; K704-F706 PolarHBondContact O-N 3.09Å; F706-R710 HydrophobicContact CB-CB 4.29Å; F706-R710 HydrophobicContact CD1-CB 3.62Å; F706-R710 HydrophobicContact CD1-CG 4.48Å; F706-R710 HydrophobicContact CE1-CB 4.37Å; F706-R710 HydrophobicContact CG-CB 4.09Å; F706-R717 HydrophobicContact CE1-CB 4.09Å; F706-R717 HydrophobicContact CZ-CB 3.68Å; F706-I718 VanDerWaalsContact CE1-O 3.32Å; F706-I718 WeakPolarHBondContact CE1-O 3.49Å; F706-C719 HydrophobicContact CD1-CB 4.26Å; F706-C719 HydrophobicContact CD2-CB 4.28Å; F706-C719 HydrophobicContact CE1-CB 4.19Å; F706-C719 HydrophobicContact CE2-CB 4.2Å; F706-C719 HydrophobicContact CG-CB 4.28Å; F706-C719 HydrophobicContact CZ-CB 4.12Å; F706-C719 CarbonylContact O-C 3.54Å; F706-C719 WeakPolarHBondContact O-CA 3.34Å; F706-C719 WeakPolarHBondContact O-CB 3.44Å; F706-D720 PolarHBondContact O-N 2.75Å
707	G	82.6	Confident	81.8	Confident	14 Å²	14	89.4 Å²	89.4	14%	0.144	41%	0.413	C	S	.	.			trans	78.3	-163.9	-177	0	0	0	0	0	114.2	K704 C705 R709 R710 D720	K704-G707 PolarHBondContact O-N 3.44Å; C705-G707 VanDerWaalsContact C-N 3.25Å; C705-G707 PolarHBondContact O-N 3.21Å; G707-R709 PolarHBondContact O-N 3.45Å; G707-R710 PolarHBondContact O-N 3.13Å; G707-D720 VanDerWaalsContact CA-CG 3.43Å; G707-D720 WeakPolarHBondContact CA-OD1 3.13Å; G707-D720 WeakPolarHBondContact CA-OD2 3.37Å
708	R	77.4	Confident	81.8	Confident	229 Å²	229	88.7 Å²	88.7	86%	0.864	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-70.3	-33.9	-157.4	-54.4	-169.9	-164.9	-152.9	5.1	113.4	R710 D720	R708-R710 PolarHBondContact O-N 2.82Å; R708-D720 PolarHBondContact N-OD1 2.95Å; R708-D720 PolarHBondContact N-OD2 3.09Å
709	R	71	Confident	82	Confident	128 Å²	128	85.3 Å²	85.3	48%	0.483	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-77.9	8.2	-177	-65.8	-171.8	178.9	-90	7.1	115	G707 N711 E712	G707-R709 PolarHBondContact O-N 3.45Å; R709-N711 PolarHBondContact O-N 3.34Å; R709-N711 VanDerWaalsContact O-N 3.1Å; R709-E712 HydrophobicContact CB-CG 4.44Å; R709-E712 WeakPolarHBondContact CB-OE1 3.37Å; R709-E712 WeakPolarHBondContact CD-OE1 3.31Å; R709-E712 WeakPolarHBondContact CG-OE1 3.44Å; R709-E712 IonicContact CZ-OE1 3.8Å; R709-E712 IonicContact NE-OE1 2.95Å; R709-E712 IonicContact NH1-OE1 2.7Å; R709-E712 PolarHBondContact NH1-OE1 2.72Å; R709-E712 PolarHBondContact O-N 3.1Å
710	R	69.8	Low	82	Confident	59 Å²	59	83.4 Å²	83.4	22%	0.223	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-52.6	-31.6	175.3	172.2	174.8	154	124.2	1.1	113.9	R690 F706 G707 R708 E712 R717	R690-R710 PolarHBondContact O-NH1 2.72Å; F706-R710 HydrophobicContact CB-CB 4.29Å; F706-R710 HydrophobicContact CD1-CB 3.62Å; F706-R710 HydrophobicContact CD1-CG 4.48Å; F706-R710 HydrophobicContact CE1-CB 4.37Å; F706-R710 HydrophobicContact CG-CB 4.09Å; G707-R710 PolarHBondContact O-N 3.13Å; R708-R710 PolarHBondContact O-N 2.82Å; R710-E712 VanDerWaalsContact C-N 3.34Å; R710-R717 WeakPolarHBondContact O-CD 3.44Å; R710-R717 PolarHBondContact O-NE 2.8Å; R710-R717 VanDerWaalsContact O-NE 3.07Å; R710-R717 PolarHBondContact O-NH1 2.88Å; R710-R717 PolarHBondContact O-NH2 3.33Å
711	N	75.3	Confident	81.8	Confident	138 Å²	138	84.8 Å²	84.8	74%	0.738	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-82.2	-7.9	-173.1	-73.5	-1	0	0	0	114.4	R709	R709-N711 PolarHBondContact O-N 3.34Å; R709-N711 VanDerWaalsContact O-N 3.1Å
712	E	75.3	Confident	81.7	Confident	61 Å²	61	85.5 Å²	85.5	29%	0.285	40%	0.396	S	S	.	.	S	Bend	trans	-63	169.1	177.4	-65.6	-177.6	-161.1	0	0	112.3	R709 R710 H716 R717	R709-E712 HydrophobicContact CB-CG 4.44Å; R709-E712 WeakPolarHBondContact CB-OE1 3.37Å; R709-E712 WeakPolarHBondContact CD-OE1 3.31Å; R709-E712 WeakPolarHBondContact CG-OE1 3.44Å; R709-E712 IonicContact CZ-OE1 3.8Å; R709-E712 IonicContact NE-OE1 2.95Å; R709-E712 IonicContact NH1-OE1 2.7Å; R709-E712 PolarHBondContact NH1-OE1 2.72Å; R709-E712 PolarHBondContact O-N 3.1Å; R710-E712 VanDerWaalsContact C-N 3.34Å; E712-H716 HydrophobicContact CB-CB 4.35Å; E712-R717 HydrophobicContact CB-CG 4.4Å; E712-R717 WeakPolarHBondContact O-CG 3.41Å; E712-R717 PolarHBondContact O-NE 3.18Å; E712-R717 PolarHBondContact O-NH2 3.23Å
713	S	78.7	Confident	81.5	Confident	70 Å²	70	86.8 Å²	86.8	49%	0.49	40%	0.403	S	S	.	.			trans	-60.4	151.6	177.4	64.8	0	0	0	0	111.2	K715 H716 R717	S713-K715 PolarHBondContact O-N 2.78Å; S713-H716 PolarHBondContact O-N 2.99Å; S713-H716 PolarHBondContact OG-ND1 3.39Å; S713-R717 PolarHBondContact O-N 2.83Å
714	K	76	Confident	81.2	Confident	190 Å²	190	86.8 Å²	86.8	83%	0.826	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-24.8	-177	-77.4	-173	177.7	-178.7	0	114.1
715	K	77	Confident	80.7	Confident	177 Å²	177	80.1 Å²	80.1	77%	0.77	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-15.9	178	-65.2	-173.1	176.5	-174.4	0	114.9	S713	S713-K715 PolarHBondContact O-N 2.78Å
716	H	80.2	Confident	79.9	Confident	111 Å²	111	82.7 Å²	82.7	51%	0.514	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-4.7	-170.4	-63.5	90.6	0	0	0	114.6	E712 S713 I718	E712-H716 HydrophobicContact CB-CB 4.35Å; S713-H716 PolarHBondContact O-N 2.99Å; S713-H716 PolarHBondContact OG-ND1 3.39Å; H716-I718 PolarHBondContact O-N 2.64Å
717	R	87.3	Confident	78.3	Confident	62 Å²	62	89.7 Å²	89.7	23%	0.234	42%	0.424	C	S	.	.			trans	-61.8	101.9	-178.1	-71.1	178.5	-170.8	-154.4	-10.9	112	C694 V695 F706 R710 E712 S713	C694-R717 CarbonylContact C-O 3.56Å; C694-R717 WeakPolarHBondContact CA-O 3.38Å; V695-R717 WeakPolarHBondContact CG2-O 3.43Å; V695-R717 PolarHBondContact N-O 3.42Å; F706-R717 HydrophobicContact CE1-CB 4.09Å; F706-R717 HydrophobicContact CZ-CB 3.68Å; R710-R717 WeakPolarHBondContact O-CD 3.44Å; R710-R717 PolarHBondContact O-NE 2.8Å; R710-R717 VanDerWaalsContact O-NE 3.07Å; R710-R717 PolarHBondContact O-NH1 2.88Å; R710-R717 PolarHBondContact O-NH2 3.33Å; E712-R717 HydrophobicContact CB-CG 4.4Å; E712-R717 WeakPolarHBondContact O-CG 3.41Å; E712-R717 PolarHBondContact O-NE 3.18Å; E712-R717 PolarHBondContact O-NH2 3.23Å; S713-R717 PolarHBondContact O-N 2.83Å
718	I	86.9	Confident	76.6	Confident	32 Å²	32	94.6 Å²	94.6	16%	0.164	45%	0.447	C	S	.	.			trans	-109.7	132.5	172.8	-63.7	172.1	0	0	0	108.2	K696 F706 H716 C722 M726	K696-I718 HydrophobicContact CB-CG1 4.42Å; K696-I718 HydrophobicContact CB-CG2 4.33Å; F706-I718 VanDerWaalsContact CE1-O 3.32Å; F706-I718 WeakPolarHBondContact CE1-O 3.49Å; H716-I718 PolarHBondContact O-N 2.64Å; I718-C722 HydrophobicContact CG2-CB 3.36Å; I718-M726 HydrophobicContact CD1-CE 3.75Å; I718-M726 HydrophobicContact CD1-SD 3.95Å; I718-M726 HydrophobicContact CG2-SD 4.33Å
719	C	88.7	Confident	74.7	Confident	0 Å²	0	91.7 Å²	91.7	0%	0	45%	0.448	C	S	.	.			trans	-78.1	155.5	-179.7	67	0	0	0	0	112.1	C694 L701 F706 T721 C722 T723	C694-C719 HydrophobicContact CB-CB 4.22Å; C694-C719 PolarHBondContact SG-N 3.48Å; C694-C719 VanDerWaalsContact SG-N 3.37Å; C694-C719 VanDerWaalsContact SG-SG 3.64Å; L701-C719 HydrophobicContact CD1-CB 3.53Å; F706-C719 HydrophobicContact CD1-CB 4.26Å; F706-C719 HydrophobicContact CD2-CB 4.28Å; F706-C719 HydrophobicContact CE1-CB 4.19Å; F706-C719 HydrophobicContact CE2-CB 4.2Å; F706-C719 HydrophobicContact CG-CB 4.28Å; F706-C719 HydrophobicContact CZ-CB 4.12Å; F706-C719 CarbonylContact O-C 3.54Å; F706-C719 WeakPolarHBondContact O-CA 3.34Å; F706-C719 WeakPolarHBondContact O-CB 3.44Å; C719-T721 PolarHBondContact O-N 2.79Å; C719-T721 VanDerWaalsContact O-N 3.1Å; C719-C722 CarbonylContact O-C 3.58Å; C719-C722 WeakPolarHBondContact O-CA 3.32Å; C719-C722 WeakPolarHBondContact O-CB 3.31Å; C719-C722 PolarHBondContact O-N 3.38Å; C719-C722 VanDerWaalsContact SG-SG 3.67Å; C719-T723 PolarHBondContact O-N 2.96Å; C719-T723 PolarHBondContact O-OG1 2.9Å; C719-T723 VanDerWaalsContact O-OG1 3.09Å
720	D	86.4	Confident	73.1	Confident	50 Å²	50	89 Å²	89	27%	0.267	46%	0.46	S	S	.	.	H	α-helix	trans	-54.9	-34.6	-176.5	-77.7	11.7	0	0	0	112.9	F706 G707 R708 C722 T723 K724	F706-D720 PolarHBondContact O-N 2.75Å; G707-D720 VanDerWaalsContact CA-CG 3.43Å; G707-D720 WeakPolarHBondContact CA-OD1 3.13Å; G707-D720 WeakPolarHBondContact CA-OD2 3.37Å; R708-D720 PolarHBondContact N-OD1 2.95Å; R708-D720 PolarHBondContact N-OD2 3.09Å; D720-C722 VanDerWaalsContact C-N 3.33Å; D720-C722 PolarHBondContact O-N 3.09Å; D720-T723 PolarHBondContact O-N 3.15Å; D720-K724 WeakPolarHBondContact O-CB 3.38Å; D720-K724 WeakPolarHBondContact O-CG 3.43Å; D720-K724 PolarHBondContact O-N 3.01Å
721	T	82.6	Confident	71.5	Confident	64 Å²	64	92.2 Å²	92.2	39%	0.393	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-34.3	173.1	-50	0	0	0	0	112.8	C719 N725	C719-T721 PolarHBondContact O-N 2.79Å; C719-T721 VanDerWaalsContact O-N 3.1Å; T721-N725 PolarHBondContact O-N 2.86Å; T721-N725 PolarHBondContact O-ND2 3.26Å
722	C	85.8	Confident	69.3	Low	14 Å²	14	91.1 Å²	91.1	10%	0.095	48%	0.481	C	S	.	.	H	α-helix	trans	-79.3	-33	174	-76.3	0	0	0	0	112.7	K696 C697 I718 C719 D720 N725 M726	K696-C722 HydrophobicContact CB-CB 4.03Å; K696-C722 HydrophobicContact CD-CB 4.01Å; K696-C722 HydrophobicContact CG-CB 4.39Å; C697-C722 VanDerWaalsContact CB-SG 3.53Å; C697-C722 PolarHBondContact SG-SG 2.97Å; I718-C722 HydrophobicContact CG2-CB 3.36Å; C719-C722 CarbonylContact O-C 3.58Å; C719-C722 WeakPolarHBondContact O-CA 3.32Å; C719-C722 WeakPolarHBondContact O-CB 3.31Å; C719-C722 PolarHBondContact O-N 3.38Å; C719-C722 VanDerWaalsContact SG-SG 3.67Å; D720-C722 VanDerWaalsContact C-N 3.33Å; D720-C722 PolarHBondContact O-N 3.09Å; C722-N725 CarbonylContact O-C 3.6Å; C722-N725 PolarHBondContact O-N 3.29Å; C722-M726 WeakPolarHBondContact O-CG 3.39Å; C722-M726 PolarHBondContact O-N 3.29Å
723	T	84	Confident	67.2	Low	36 Å²	36	96 Å²	96	22%	0.221	50%	0.497	C	S	.	.	H	α-helix	trans	-66.3	-46.5	174.9	-48.6	0	0	0	0	111.1	C719 D720 N725 M726	C719-T723 PolarHBondContact O-N 2.96Å; C719-T723 PolarHBondContact O-OG1 2.9Å; C719-T723 VanDerWaalsContact O-OG1 3.09Å; D720-T723 PolarHBondContact O-N 3.15Å; T723-N725 PolarHBondContact O-N 3.46Å; T723-M726 WeakPolarHBondContact O-CB 3.05Å; T723-M726 PolarHBondContact O-N 2.88Å
724	K	80.6	Confident	65	Low	161 Å²	161	95.9 Å²	95.9	70%	0.7	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.8	173.1	-72.2	179.3	178	-171.1	0	113.6	D720	D720-K724 WeakPolarHBondContact O-CB 3.38Å; D720-K724 WeakPolarHBondContact O-CG 3.43Å; D720-K724 PolarHBondContact O-N 3.01Å
725	N	74.7	Confident	62.9	Low	55 Å²	55	96.3 Å²	96.3	29%	0.294	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	37.7	172.3	-65.9	-71.8	0	0	0	110.8	K696 T721 C722 T723 R733	K696-N725 PolarHBondContact NZ-O 3.41Å; T721-N725 PolarHBondContact O-N 2.86Å; T721-N725 PolarHBondContact O-ND2 3.26Å; C722-N725 CarbonylContact O-C 3.6Å; C722-N725 PolarHBondContact O-N 3.29Å; T723-N725 PolarHBondContact O-N 3.46Å; N725-R733 PolarHBondContact OD1-NH1 2.81Å
726	M	67.4	Low	60.7	Low	86 Å²	86	91.6 Å²	91.6	42%	0.424	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-33.3	164.3	-81.4	174	121.1	0	0	112	K696 I718 C722 T723 L728	K696-M726 HydrophobicContact CD-CE 4.48Å; K696-M726 HydrophobicContact CD-CG 4.33Å; K696-M726 VanDerWaalsContact NZ-CG 3.31Å; I718-M726 HydrophobicContact CD1-CE 3.75Å; I718-M726 HydrophobicContact CD1-SD 3.95Å; I718-M726 HydrophobicContact CG2-SD 4.33Å; C722-M726 WeakPolarHBondContact O-CG 3.39Å; C722-M726 PolarHBondContact O-N 3.29Å; T723-M726 WeakPolarHBondContact O-CB 3.05Å; T723-M726 PolarHBondContact O-N 2.88Å; M726-L728 PolarHBondContact O-N 3.1Å; M726-L728 VanDerWaalsContact O-N 3.09Å
727	D	56.5	Low	58.3	Low	146 Å²	146	93.4 Å²	93.4	78%	0.781	51%	0.507	S	S	*	.	S	Bend	trans	-79.7	16	177.7	-44.7	-53.3	0	0	0	113.5
728	L	46.1	Very low	55.7	Low	118 Å²	118	97.9 Å²	97.9	62%	0.618	53%	0.53	S	S	*	.			trans	-122.6	62	178.9	-73.6	172.9	0	0	0	110	M726 G730	M726-L728 PolarHBondContact O-N 3.1Å; M726-L728 VanDerWaalsContact O-N 3.09Å; L728-G730 PolarHBondContact O-N 2.9Å
729	D	39.4	Very low	53.4	Low	167 Å²	167	100.9 Å²	100.9	89%	0.893	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	127.3	168.7	-83.2	-40	0	0	0	110.1
730	G	37.2	Very low	51.5	Low	72 Å²	72	106.2 Å²	106.2	74%	0.742	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	134.4	-20.4	177	0	0	0	0	0	115.9	L728	L728-G730 PolarHBondContact O-N 2.9Å
731	I	35.7	Very low	50	Low	126 Å²	126	111.3 Å²	111.3	65%	0.646	61%	0.607	S	S	*	*			trans	-115.2	103.3	-179.9	-54.1	-178.8	0	0	0	111.3	R733	I731-R733 HydrophobicContact CG2-CG 4.18Å; I731-R733 PolarHBondContact O-N 2.89Å
732	P	29.3	Very low	49.6	Very low	115 Å²	115	110.2 Å²	110.2	75%	0.747	60%	0.595	S	S	*	*			trans	-71.7	91.1	175.2	29.5	-34	0	0	0	110.9	S734	P732-S734 PolarHBondContact O-N 2.82Å
733	R	31	Very low	49.1	Very low	165 Å²	165	120 Å²	120	62%	0.623	63%	0.63	S	S	*	*			trans	-77.7	71	169.5	-72.5	-171.6	174.6	162.5	2.1	111.2	N725 I731 F735	N725-R733 PolarHBondContact OD1-NH1 2.81Å; I731-R733 HydrophobicContact CG2-CG 4.18Å; I731-R733 PolarHBondContact O-N 2.89Å; R733-F735 VanDerWaalsContact C-N 3.28Å; R733-F735 HydrophobicContact CB-CD2 4.43Å; R733-F735 PolarHBondContact O-N 2.94Å
734	S	32.1	Very low	48.9	Very low	66 Å²	66	119.5 Å²	119.5	46%	0.462	63%	0.626	S	S	.	*			trans	-68.5	80.5	170.8	48.8	0	0	0	0	111.2	P732 S736	P732-S734 PolarHBondContact O-N 2.82Å; S734-S736 PolarHBondContact O-N 2.89Å
735	F	31.3	Very low	49.1	Very low	200 Å²	200	116 Å²	116	88%	0.877	61%	0.614	S	S	*	*			trans	-73.9	64.3	172.6	-101.6	-86.1	0	0	0	111.6	R733	R733-F735 VanDerWaalsContact C-N 3.28Å; R733-F735 HydrophobicContact CB-CD2 4.43Å; R733-F735 PolarHBondContact O-N 2.94Å
736	S	31.1	Very low	49.8	Very low	78 Å²	78	113.4 Å²	113.4	55%	0.545	60%	0.601	S	S	.	*	S	Bend	trans	-160.4	120.6	173.3	54.5	0	0	0	0	111	S734 Q738	S734-S736 PolarHBondContact O-N 2.89Å; S736-Q738 VanDerWaalsContact C-N 3.31Å; S736-Q738 PolarHBondContact O-N 3.49Å
737	T	30.3	Very low	50.9	Low	149 Å²	149	115.7 Å²	115.7	91%	0.914	61%	0.61	S	S	*	*	S	Bend	trans	52.3	32.9	156.3	59.3	0	0	0	0	117.9
738	Q	32.2	Very low	52.5	Low	156 Å²	156	111.3 Å²	111.3	73%	0.729	59%	0.586	S	S	*	*			trans	-93.8	143.7	150	-74	179.9	-21.6	0	0	108.3	S736	S736-Q738 VanDerWaalsContact C-N 3.31Å; S736-Q738 PolarHBondContact O-N 3.49Å
739	S	39.3	Very low	54.8	Low	94 Å²	94	108.3 Å²	108.3	66%	0.657	57%	0.574	S	S	*	*			trans	-63.1	163.1	177.4	47.7	0	0	0	0	111.4	M741	S739-M741 PolarHBondContact O-N 3.04Å; S739-M741 WeakPolarHBondContact OG-CG 3.34Å
740	N	49.1	Very low	57.4	Low	112 Å²	112	100.4 Å²	100.4	60%	0.599	53%	0.532	S	S	*	.			trans	-69.6	65.7	169.3	-76.9	-29.8	0	0	0	110.3	F644 D648 R742	F644-N740 WeakPolarHBondContact CE1-O 3.05Å; D648-N740 PolarHBondContact OD1-ND2 3.1Å; D648-N740 VanDerWaalsContact OD2-CB 3.28Å; D648-N740 WeakPolarHBondContact OD2-CB 3.23Å; D648-N740 PolarHBondContact OD2-ND2 3.12Å; N740-R742 PolarHBondContact O-N 2.66Å; N740-R742 VanDerWaalsContact O-N 3.09Å
741	M	55	Low	60	Low	158 Å²	158	102.2 Å²	102.2	78%	0.778	52%	0.519	S	S	*	.			trans	-60.4	117.5	174.6	-67.1	-157	75.8	0	0	108.8	S739 R743	S739-M741 PolarHBondContact O-N 3.04Å; S739-M741 WeakPolarHBondContact OG-CG 3.34Å; M741-R743 PolarHBondContact O-N 3.07Å
742	R	73.4	Confident	62.5	Low	40 Å²	40	98.5 Å²	98.5	15%	0.151	51%	0.512	C	S	.	.			trans	-51.3	126.9	176.8	176.7	179.4	160.8	-98.2	-9.3	109.7	E602 V640 D641 F644 N740 N744	E602-R742 IonicContact OE1-CZ 3.67Å; E602-R742 IonicContact OE1-NH2 2.73Å; E602-R742 PolarHBondContact OE1-NH2 2.83Å; V640-R742 VanDerWaalsContact CG1-NE 3.31Å; D641-R742 WeakPolarHBondContact OD1-CD 3.37Å; D641-R742 IonicContact OD1-CZ 3.56Å; D641-R742 IonicContact OD1-NE 3.48Å; D641-R742 IonicContact OD1-NH1 3.41Å; D641-R742 PolarHBondContact OD1-NH1 3.45Å; F644-R742 HydrophobicContact CB-CB 4.46Å; F644-R742 HydrophobicContact CD1-CB 3.8Å; F644-R742 HydrophobicContact CD1-CG 4.49Å; F644-R742 HydrophobicContact CD2-CB 4.13Å; F644-R742 HydrophobicContact CD2-CG 3.92Å; F644-R742 HydrophobicContact CE1-CB 4.03Å; F644-R742 HydrophobicContact CE2-CB 4.33Å; F644-R742 HydrophobicContact CE2-CG 4.16Å; F644-R742 HydrophobicContact CG-CB 3.87Å; F644-R742 HydrophobicContact CG-CG 4.1Å; F644-R742 HydrophobicContact CZ-CB 4.28Å; N740-R742 PolarHBondContact O-N 2.66Å; N740-R742 VanDerWaalsContact O-N 3.09Å; R742-N744 PolarHBondContact O-N 2.91Å
743	R	74.5	Confident	65.3	Low	221 Å²	221	98.4 Å²	98.4	83%	0.834	52%	0.515	S	S	*	.			trans	-70.4	112.8	167.1	-66.4	-174.8	-176	175.5	2.2	108.4	M741 L745	M741-R743 PolarHBondContact O-N 3.07Å; R743-L745 PolarHBondContact O-N 2.92Å; R743-L745 VanDerWaalsContact O-N 3.14Å
744	N	81	Confident	68.2	Low	25 Å²	25	91.5 Å²	91.5	13%	0.134	50%	0.495	C	S	.	.			trans	-66.5	108.1	168.4	177.4	2.2	0	0	0	108.4	R742 L746 Q747	R742-N744 PolarHBondContact O-N 2.91Å; N744-L746 PolarHBondContact O-N 3.19Å; N744-L746 PolarHBondContact OD1-N 3.4Å; N744-L746 VanDerWaalsContact OD1-N 3.08Å; N744-Q747 HydrophobicContact CB-CB 3.93Å; N744-Q747 WeakPolarHBondContact O-CB 3.34Å; N744-Q747 PolarHBondContact O-N 2.85Å
745	L	84.7	Confident	71.1	Confident	87 Å²	87	89.9 Å²	89.9	46%	0.455	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.1	-175.9	-56.1	178	0	0	0	112.8	E602 R743 Y784 M797	E602-L745 HydrophobicContact CG-CB 4.1Å; E602-L745 HydrophobicContact CG-CD1 4.27Å; E602-L745 HydrophobicContact CG-CG 4.49Å; R743-L745 PolarHBondContact O-N 2.92Å; R743-L745 VanDerWaalsContact O-N 3.14Å; L745-Y784 WeakPolarHBondContact O-CE1 3.28Å; L745-M797 HydrophobicContact CB-CE 4.01Å; L745-M797 HydrophobicContact CD1-CE 4.46Å
746	L	90.4	Very high	74.1	Confident	1 Å²	1	80.9 Å²	80.9	1%	0.005	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.5	173.9	-61.2	178.2	0	0	0	112.4	E602 N744 L748 Y784 C793 A794 M797	E602-L746 HydrophobicContact CG-CG 4.34Å; E602-L746 WeakPolarHBondContact OE2-CD1 3.36Å; N744-L746 PolarHBondContact O-N 3.19Å; N744-L746 PolarHBondContact OD1-N 3.4Å; N744-L746 VanDerWaalsContact OD1-N 3.08Å; L746-L748 PolarHBondContact O-N 2.91Å; L746-Y784 HydrophobicContact CD2-CD1 4.45Å; L746-C793 CarbonylContact O-C 3.51Å; L746-C793 VanDerWaalsContact O-CA 3.3Å; L746-C793 WeakPolarHBondContact O-CA 3.43Å; L746-C793 PolarHBondContact O-SG 3.43Å; L746-A794 HydrophobicContact CB-CB 4.33Å; L746-A794 HydrophobicContact CD2-CB 4.01Å; L746-A794 PolarHBondContact O-N 3.24Å; L746-M797 HydrophobicContact CD2-CB 3.93Å
747	Q	89.3	Confident	77.2	Confident	133 Å²	133	78.6 Å²	78.6	62%	0.621	42%	0.424	S	S	*	.			trans	-79.5	58.8	179.3	-164	176.2	-0.1	0	0	111.8	N744	N744-Q747 HydrophobicContact CB-CB 3.93Å; N744-Q747 WeakPolarHBondContact O-CB 3.34Å; N744-Q747 PolarHBondContact O-N 2.85Å
748	L	90.7	Very high	80.4	Confident	54 Å²	54	73.5 Å²	73.5	28%	0.283	39%	0.394	S	S	.	.			trans	-122.7	135.4	173.7	-61.7	177.1	0	0	0	108.3	L746 Y784 Y786 I792	L746-L748 PolarHBondContact O-N 2.91Å; L748-Y784 HydrophobicContact CD1-CE1 3.9Å; L748-Y784 HydrophobicContact CD1-CE2 4.32Å; L748-Y784 WeakPolarHBondContact CD1-OH 3.41Å; L748-Y786 VanDerWaalsContact O-CE1 3.26Å; L748-Y786 WeakPolarHBondContact O-CE1 3.42Å; L748-Y786 PolarHBondContact O-OH 2.97Å; L748-I792 CarbonylContact C-O 3.57Å
749	P	93.4	Very high	83.5	Confident	56 Å²	56	67.1 Å²	67.1	36%	0.364	37%	0.366	S	S	.	.			trans	-71	151	176.4	30.6	-35.4	0	0	0	112.1	K751 R778 Y786 D791	P749-K751 VanDerWaalsContact C-N 3.26Å; P749-K751 WeakPolarHBondContact CB-O 3.44Å; P749-K751 WeakPolarHBondContact CG-O 3.25Å; P749-K751 PolarHBondContact O-N 3.38Å; P749-R778 PolarHBondContact O-NH2 2.97Å; P749-Y786 PolarHBondContact O-OH 2.95Å; P749-D791 WeakPolarHBondContact CA-O 3.09Å
750	A	93.9	Very high	86.2	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.008	36%	0.357	C	S	.	.	S	Bend	trans	-57.6	-38.6	176.1	0	0	0	0	0	112.4	F774 Y786 D791	A750-F774 HydrophobicContact CB-CD1 3.91Å; A750-F774 HydrophobicContact CB-CE1 3.99Å; A750-Y786 HydrophobicContact CB-CD1 3.88Å; A750-Y786 HydrophobicContact CB-CD2 4Å; A750-Y786 HydrophobicContact CB-CE1 4.02Å; A750-Y786 HydrophobicContact CB-CE2 4.17Å; A750-Y786 HydrophobicContact CB-CG 3.86Å; A750-D791 PolarHBondContact N-O 2.7Å
751	K	92.6	Very high	88.5	Confident	109 Å²	109	62 Å²	62	47%	0.474	33%	0.328	S	S	.	.	S	Bend	trans	-109.2	141	173.6	-58	-177.2	-168.3	-170.9	0	111.2	P749 E789	P749-K751 VanDerWaalsContact C-N 3.26Å; P749-K751 WeakPolarHBondContact CB-O 3.44Å; P749-K751 WeakPolarHBondContact CG-O 3.25Å; P749-K751 PolarHBondContact O-N 3.38Å; K751-E789 WeakPolarHBondContact CE-O 3.34Å; K751-E789 WeakPolarHBondContact CE-OE1 3.34Å; K751-E789 WeakPolarHBondContact CE-OE2 3.43Å; K751-E789 IonicContact NZ-OE1 3.21Å; K751-E789 PolarHBondContact NZ-OE1 2.89Å; K751-E789 IonicContact NZ-OE2 2.71Å; K751-E789 PolarHBondContact NZ-OE2 3.12Å
752	G	88.3	Confident	90.4	Very high	48 Å²	48	60.2 Å²	60.2	50%	0.495	31%	0.313	S	S	.	.	S	Bend	trans	155.6	-167.4	173.1	0	0	0	0	0	113.8	V755	G752-V755 WeakPolarHBondContact O-CG2 3.44Å
753	S	88	Confident	91.4	Very high	114 Å²	114	58.3 Å²	58.3	80%	0.797	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	144.9	173.1	53.9	0	0	0	0	111.9	V755 R778	S753-V755 VanDerWaalsContact C-N 3.33Å; S753-R778 PolarHBondContact O-NH1 2.92Å
754	G	90.7	Very high	92.3	Very high	20 Å²	20	53.3 Å²	53.3	21%	0.206	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	4.9	176.8	0	0	0	0	0	115.3	R778 D779	G754-R778 CarbonylContact O-C 3.57Å; G754-R778 WeakPolarHBondContact O-CA 2.84Å; G754-R778 WeakPolarHBondContact O-CB 3.24Å; G754-D779 WeakPolarHBondContact CA-OD1 3.17Å; G754-D779 VanDerWaalsContact CA-OD2 3.27Å; G754-D779 WeakPolarHBondContact CA-OD2 3.31Å; G754-D779 PolarHBondContact O-N 3.09Å
755	V	94.2	Very high	92.6	Very high	31 Å²	31	52.6 Å²	52.6	19%	0.188	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.7	169.3	176.1	0	0	0	0	109.5	G752 S753 V776	G752-V755 WeakPolarHBondContact O-CG2 3.44Å; S753-V755 VanDerWaalsContact C-N 3.33Å; V755-V776 HydrophobicContact CB-CG1 4.2Å; V755-V776 HydrophobicContact CG1-CG1 3.69Å; V755-V776 HydrophobicContact CG2-CG1 3.62Å
756	L	94.6	Very high	92.3	Very high	12 Å²	12	50.9 Å²	50.9	6%	0.063	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-43	176.1	-55.4	-177.1	0	0	0	111.4	Y205 L208 F209 V777 R778 D779 I840	Y205-L756 HydrophobicContact CD1-CD2 3.81Å; Y205-L756 HydrophobicContact CD2-CD2 4Å; Y205-L756 HydrophobicContact CE1-CD2 3.66Å; Y205-L756 HydrophobicContact CE2-CB 4.49Å; Y205-L756 HydrophobicContact CE2-CD2 3.85Å; Y205-L756 HydrophobicContact CG-CD2 3.98Å; L208-L756 HydrophobicContact CD1-CD1 4Å; L208-L756 HydrophobicContact CD1-CD2 3.74Å; F209-L756 HydrophobicContact CZ-CD1 4.21Å; L756-V777 PolarHBondContact N-O 3.04Å; L756-R778 WeakPolarHBondContact CD1-O 3.38Å; L756-D779 HydrophobicContact CD2-CB 4.2Å; L756-I840 HydrophobicContact CB-CD1 3.93Å; L756-I840 HydrophobicContact CB-CG1 4.2Å; L756-I840 HydrophobicContact CD1-CD1 4.01Å
757	H	95.9	Very high	91.8	Very high	30 Å²	30	54.9 Å²	54.9	14%	0.139	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	149.4	174.9	-168.6	50.8	0	0	0	110.9	F201 V777 W837 I840	F201-H757 HydrophobicContact CE1-CB 4.44Å; F201-H757 HydrophobicContact CZ-CB 4.2Å; H757-V777 PolarHBondContact N-O 2.69Å; H757-V777 PolarHBondContact O-N 3.29Å; H757-W837 AromaticContact CD2-CD1 3.96Å; H757-W837 AromaticContact CD2-CD2 3.79Å; H757-W837 AromaticContact CD2-CE2 3.67Å; H757-W837 AromaticContact CD2-CG 3.98Å; H757-W837 AromaticContact CD2-NE1 3.77Å; H757-W837 AromaticContact NE2-CD1 3.58Å; H757-W837 AromaticContact NE2-CE2 3.9Å; H757-W837 AromaticContact NE2-NE1 3.5Å; H757-W837 PolarHBondContact NE2-NE1 2.82Å; H757-I840 HydrophobicContact CB-CB 4.32Å; H757-I840 HydrophobicContact CB-CG1 4.19Å; H757-I840 HydrophobicContact CB-CG2 3.9Å
758	S	96.7	Very high	91.4	Very high	41 Å²	41	50.6 Å²	50.6	29%	0.287	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	144.1	176.8	57.3	0	0	0	0	112.5	M775	S758-M775 WeakPolarHBondContact CA-O 3.12Å; S758-M775 VanDerWaalsContact CB-O 3.29Å; S758-M775 WeakPolarHBondContact CB-O 3.18Å
759	S	96.9	Very high	91.1	Very high	22 Å²	22	53.4 Å²	53.4	15%	0.154	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	172.2	168	77	0	0	0	0	110.3	M775 W837	S759-M775 PolarHBondContact N-O 3.06Å; S759-M775 VanDerWaalsContact N-O 3.14Å; S759-M775 PolarHBondContact O-N 2.96Å; S759-W837 PolarHBondContact OG-NE1 3.07Å
760	Q	96.8	Very high	91	Very high	97 Å²	97	55 Å²	55	45%	0.453	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	135.8	158.8	-166	68.6	-3.3	0	0	109.2	R773 F774	Q760-R773 VanDerWaalsContact OE1-C 3.24Å; Q760-R773 PolarHBondContact OE1-O 3Å; Q760-F774 VanDerWaalsContact OE1-N 3.12Å
761	I	96.8	Very high	91	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.6	173.5	-72.1	-64.4	0	0	0	109.6	F763 R773 M775 F814 M826 A828 W837	I761-F763 HydrophobicContact CG2-CB 4.35Å; I761-R773 PolarHBondContact N-O 3.05Å; I761-R773 PolarHBondContact O-N 2.95Å; I761-R773 VanDerWaalsContact O-O 3.13Å; I761-M775 HydrophobicContact CB-CB 4.42Å; I761-M775 HydrophobicContact CB-CE 4.26Å; I761-M775 HydrophobicContact CB-CG 3.95Å; I761-M775 HydrophobicContact CB-SD 3.85Å; I761-M775 HydrophobicContact CG1-CB 4.43Å; I761-M775 HydrophobicContact CG1-CG 4.48Å; I761-M775 HydrophobicContact CG1-SD 4.44Å; I761-M775 HydrophobicContact CG2-CE 3.93Å; I761-M775 HydrophobicContact CG2-SD 3.78Å; I761-F814 HydrophobicContact CD1-CZ 4.23Å; I761-M826 HydrophobicContact CG2-CB 4Å; I761-M826 HydrophobicContact CG2-CG 4.13Å; I761-M826 HydrophobicContact CG2-SD 4.46Å; I761-A828 HydrophobicContact CD1-CB 4.21Å; I761-W837 HydrophobicContact CD1-CG 4.48Å; I761-W837 HydrophobicContact CG1-CD2 4.48Å; I761-W837 HydrophobicContact CG1-CZ2 3.86Å
762	R	95.7	Very high	91.1	Very high	121 Å²	121	53.4 Å²	53.4	46%	0.457	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.4	166.3	173.8	165	-71.3	153.2	5.1	108.7	L770 L771 D772 M826 T827	R762-L770 HydrophobicContact CG-CD1 3.73Å; R762-L770 HydrophobicContact CG-CG 4.22Å; R762-L771 WeakPolarHBondContact CA-O 3.18Å; R762-D772 VanDerWaalsContact CB-OD1 3.25Å; R762-D772 WeakPolarHBondContact CB-OD1 2.95Å; R762-D772 VanDerWaalsContact CG-OD1 3.26Å; R762-D772 WeakPolarHBondContact CG-OD1 3.26Å; R762-D772 IonicContact CZ-OD1 3.92Å; R762-D772 IonicContact CZ-OD2 2.78Å; R762-D772 IonicContact NE-OD1 2.7Å; R762-D772 PolarHBondContact NE-OD1 3.02Å; R762-D772 IonicContact NE-OD2 2.86Å; R762-D772 IonicContact NH2-OD1 3.27Å; R762-D772 PolarHBondContact NH2-OD1 2.85Å; R762-D772 IonicContact NH2-OD2 3.19Å; R762-D772 PolarHBondContact NH2-OD2 2.96Å; R762-M826 CarbonylContact O-C 3.52Å; R762-M826 WeakPolarHBondContact O-CA 3.37Å; R762-T827 PolarHBondContact N-O 3.19Å; R762-T827 PolarHBondContact O-N 2.92Å
763	F	94.7	Very high	91.5	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	164.2	179.6	83.2	-71.8	0	0	0	114	L606 E607 I761 L771 R773 M775 Y824 T825 M826	L606-F763 HydrophobicContact CB-CE2 3.66Å; L606-F763 HydrophobicContact CB-CZ 3.89Å; E607-F763 HydrophobicContact CG-CE2 4Å; I761-F763 HydrophobicContact CG2-CB 4.35Å; F763-L771 HydrophobicContact CD1-CB 3.75Å; F763-L771 VanDerWaalsContact CD1-O 3.3Å; F763-L771 WeakPolarHBondContact CD1-O 3.02Å; F763-L771 HydrophobicContact CE1-CB 3.34Å; F763-L771 HydrophobicContact CE1-CD1 3.86Å; F763-L771 HydrophobicContact CE1-CG 4.25Å; F763-L771 HydrophobicContact CE2-CD1 4.33Å; F763-L771 HydrophobicContact CZ-CB 3.92Å; F763-L771 HydrophobicContact CZ-CD1 3.54Å; F763-L771 HydrophobicContact CZ-CG 4.37Å; F763-L771 PolarHBondContact N-O 3.3Å; F763-L771 PolarHBondContact O-N 2.63Å; F763-R773 HydrophobicContact CE1-CB 4.36Å; F763-R773 HydrophobicContact CE1-CG 3.77Å; F763-M775 HydrophobicContact CB-CE 4.04Å; F763-M775 HydrophobicContact CD1-CE 3.11Å; F763-M775 HydrophobicContact CD2-CE 4.29Å; F763-M775 HydrophobicContact CE1-CE 3.47Å; F763-M775 VanDerWaalsContact CE1-CE 3.47Å; F763-M775 HydrophobicContact CG-CE 3.56Å; F763-M775 HydrophobicContact CZ-CE 4.2Å; F763-Y824 AromaticContact CD2-CD1 3.96Å; F763-Y824 HydrophobicContact CD2-CD1 3.96Å; F763-Y824 HydrophobicContact CD2-CG 4.49Å; F763-Y824 AromaticContact CE2-CD1 3.95Å; F763-Y824 HydrophobicContact CE2-CD1 3.95Å; F763-Y824 HydrophobicContact CE2-CE1 4.39Å; F763-T825 CarbonylContact C-O 3.57Å; F763-T825 WeakPolarHBondContact CA-O 3.18Å; F763-T825 WeakPolarHBondContact CB-O 3.42Å; F763-M826 HydrophobicContact CB-CG 3.87Å
764	R	92.5	Very high	91.9	Very high	115 Å²	115	48 Å²	48	43%	0.434	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	132.1	174.5	-176.2	-171.6	-67.6	121.1	-3.5	109.1	L770 Y824 T825	R764-L770 HydrophobicContact CB-CD1 4.35Å; R764-Y824 CarbonylContact O-C 3.52Å; R764-Y824 WeakPolarHBondContact O-CA 3.48Å; R764-T825 PolarHBondContact N-O 3.28Å; R764-T825 PolarHBondContact O-N 2.76Å
765	G	87.9	Confident	92.2	Very high	11 Å²	11	47 Å²	47	11%	0.113	24%	0.243	C	C	.	.			trans	-107.2	-155.9	176.8	0	0	0	0	0	114.1	E607 L767 G768 M823	E607-G765 VanDerWaalsContact CD-N 3.28Å; E607-G765 WeakPolarHBondContact OE1-CA 3.43Å; E607-G765 PolarHBondContact OE1-N 2.89Å; E607-G765 WeakPolarHBondContact OE2-CA 3.41Å; G765-L767 VanDerWaalsContact C-N 3.29Å; G765-L767 PolarHBondContact O-N 3.11Å; G765-G768 PolarHBondContact O-N 3.16Å; G765-G768 VanDerWaalsContact O-N 3.12Å; G765-M823 CarbonylContact C-O 3.52Å; G765-M823 WeakPolarHBondContact CA-O 3.13Å
766	S	78.5	Confident	92.4	Very high	51 Å²	51	45.6 Å²	45.6	36%	0.357	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.4	-179.6	57.1	0	0	0	0	113.5	E559 E607 G768	E559-S766 PolarHBondContact OE1-OG 3.17Å; E559-S766 WeakPolarHBondContact OE2-CB 3.1Å; E559-S766 PolarHBondContact OE2-OG 3.2Å; E607-S766 PolarHBondContact OE2-N 2.92Å; S766-G768 PolarHBondContact O-N 2.84Å
767	L	78.8	Confident	92.5	Very high	85 Å²	85	45 Å²	45	45%	0.445	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.2	174.6	-53.4	-178.9	0	0	0	112.3	E559 E607 G765 K769	E559-L767 HydrophobicContact CB-CD2 4.46Å; E607-L767 HydrophobicContact CB-CD1 4.03Å; E607-L767 HydrophobicContact CB-CG 4.49Å; E607-L767 WeakPolarHBondContact OE2-CB 3.35Å; E607-L767 WeakPolarHBondContact OE2-CG 3.49Å; E607-L767 PolarHBondContact OE2-N 3.46Å; G765-L767 VanDerWaalsContact C-N 3.29Å; G765-L767 PolarHBondContact O-N 3.11Å; L767-K769 PolarHBondContact O-N 2.83Å
768	G	81.2	Confident	92.5	Very high	43 Å²	43	44.2 Å²	44.2	44%	0.443	23%	0.227	S	C	.	.			trans	73.7	5	175.7	0	0	0	0	0	114.7	E607 G765 S766 L770	E607-G768 PolarHBondContact OE1-N 3.38Å; G765-G768 PolarHBondContact O-N 3.16Å; G765-G768 VanDerWaalsContact O-N 3.12Å; S766-G768 PolarHBondContact O-N 2.84Å; G768-L770 PolarHBondContact O-N 3.39Å
769	K	85	Confident	92.2	Very high	112 Å²	112	46 Å²	46	49%	0.487	23%	0.233	S	C	.	.			trans	-75.8	121.5	-178.1	-170	-176	179.5	-169.5	0	108.7	E607 L767 L771	E607-K769 PolarHBondContact OE1-N 2.95Å; E607-K769 VanDerWaalsContact OE1-N 3.15Å; L767-K769 PolarHBondContact O-N 2.83Å; K769-L771 HydrophobicContact CD-CD1 4.25Å; K769-L771 HydrophobicContact CD-CD2 3.85Å; K769-L771 HydrophobicContact CD-CG 4.04Å; K769-L771 HydrophobicContact CG-CD2 4.19Å; K769-L771 HydrophobicContact CG-CG 4.07Å
770	L	91.5	Very high	91.9	Very high	90 Å²	90	47.9 Å²	47.9	47%	0.471	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.6	170	-166	67.3	0	0	0	108.6	R762 R764 G768	R762-L770 HydrophobicContact CG-CD1 3.73Å; R762-L770 HydrophobicContact CG-CG 4.22Å; R764-L770 HydrophobicContact CB-CD1 4.35Å; G768-L770 PolarHBondContact O-N 3.39Å
771	L	93.6	Very high	91.8	Very high	12 Å²	12	44 Å²	44	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.6	-175.6	-75.5	175.2	0	0	0	109.9	E607 R762 F763 K769	E607-L771 HydrophobicContact CB-CD1 4.5Å; E607-L771 HydrophobicContact CG-CD1 4.2Å; R762-L771 WeakPolarHBondContact CA-O 3.18Å; F763-L771 HydrophobicContact CD1-CB 3.75Å; F763-L771 VanDerWaalsContact CD1-O 3.3Å; F763-L771 WeakPolarHBondContact CD1-O 3.02Å; F763-L771 HydrophobicContact CE1-CB 3.34Å; F763-L771 HydrophobicContact CE1-CD1 3.86Å; F763-L771 HydrophobicContact CE1-CG 4.25Å; F763-L771 HydrophobicContact CE2-CD1 4.33Å; F763-L771 HydrophobicContact CZ-CB 3.92Å; F763-L771 HydrophobicContact CZ-CD1 3.54Å; F763-L771 HydrophobicContact CZ-CG 4.37Å; F763-L771 PolarHBondContact N-O 3.3Å; F763-L771 PolarHBondContact O-N 2.63Å; K769-L771 HydrophobicContact CD-CD1 4.25Å; K769-L771 HydrophobicContact CD-CD2 3.85Å; K769-L771 HydrophobicContact CD-CG 4.04Å; K769-L771 HydrophobicContact CG-CD2 4.19Å; K769-L771 HydrophobicContact CG-CG 4.07Å
772	D	95.2	Very high	91.7	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.6	167.3	-62.7	-22.1	0	0	0	108	R762	R762-D772 VanDerWaalsContact CB-OD1 3.25Å; R762-D772 WeakPolarHBondContact CB-OD1 2.95Å; R762-D772 VanDerWaalsContact CG-OD1 3.26Å; R762-D772 WeakPolarHBondContact CG-OD1 3.26Å; R762-D772 IonicContact CZ-OD1 3.92Å; R762-D772 IonicContact CZ-OD2 2.78Å; R762-D772 IonicContact NE-OD1 2.7Å; R762-D772 PolarHBondContact NE-OD1 3.02Å; R762-D772 IonicContact NE-OD2 2.86Å; R762-D772 IonicContact NH2-OD1 3.27Å; R762-D772 PolarHBondContact NH2-OD1 2.85Å; R762-D772 IonicContact NH2-OD2 3.19Å; R762-D772 PolarHBondContact NH2-OD2 2.96Å
773	R	95.8	Very high	91.7	Very high	36 Å²	36	39 Å²	39	14%	0.136	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	149	-178.6	-69.7	-68.7	176.7	-100.5	16.3	109.9	E609 Q760 I761 F763 M775 Y786	E609-R773 IonicContact OE1-CZ 3.81Å; E609-R773 IonicContact OE1-NE 3.13Å; E609-R773 IonicContact OE1-NH2 3.62Å; E609-R773 PolarHBondContact OE1-NH2 2.75Å; Q760-R773 VanDerWaalsContact OE1-C 3.24Å; Q760-R773 PolarHBondContact OE1-O 3Å; I761-R773 PolarHBondContact N-O 3.05Å; I761-R773 PolarHBondContact O-N 2.95Å; I761-R773 VanDerWaalsContact O-O 3.13Å; F763-R773 HydrophobicContact CE1-CB 4.36Å; F763-R773 HydrophobicContact CE1-CG 3.77Å; R773-M775 HydrophobicContact CB-CE 4.16Å; R773-M775 HydrophobicContact CB-CG 4.27Å; R773-Y786 WeakPolarHBondContact CA-O 3.29Å; R773-Y786 WeakPolarHBondContact CB-O 3.46Å; R773-Y786 WeakPolarHBondContact CD-O 3.29Å
774	F	97.4	Very high	91.8	Very high	13 Å²	13	39.1 Å²	39.1	6%	0.057	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	125.2	160.3	-170.4	-101.7	0	0	0	107.4	A750 Q760 V776 Y786 E789	A750-F774 HydrophobicContact CB-CD1 3.91Å; A750-F774 HydrophobicContact CB-CE1 3.99Å; Q760-F774 VanDerWaalsContact OE1-N 3.12Å; F774-V776 HydrophobicContact CD1-CG2 3.69Å; F774-V776 HydrophobicContact CE1-CG2 3.55Å; F774-Y786 HydrophobicContact CD1-CD2 4.46Å; F774-Y786 PolarHBondContact N-O 2.76Å; F774-Y786 PolarHBondContact O-N 2.69Å; F774-E789 HydrophobicContact CD1-CB 3.99Å; F774-E789 HydrophobicContact CD2-CB 3.75Å; F774-E789 HydrophobicContact CE1-CB 3.93Å; F774-E789 HydrophobicContact CE2-CB 3.69Å; F774-E789 HydrophobicContact CG-CB 3.89Å; F774-E789 HydrophobicContact CZ-CB 3.78Å
775	M	97.5	Very high	92	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.1	-175.3	-64.7	-157	179.8	0	0	110.8	S758 S759 I761 F763 R773 M783 Y784 T785 M826 W837	S758-M775 WeakPolarHBondContact CA-O 3.12Å; S758-M775 VanDerWaalsContact CB-O 3.29Å; S758-M775 WeakPolarHBondContact CB-O 3.18Å; S759-M775 PolarHBondContact N-O 3.06Å; S759-M775 VanDerWaalsContact N-O 3.14Å; S759-M775 PolarHBondContact O-N 2.96Å; I761-M775 HydrophobicContact CB-CB 4.42Å; I761-M775 HydrophobicContact CB-CE 4.26Å; I761-M775 HydrophobicContact CB-CG 3.95Å; I761-M775 HydrophobicContact CB-SD 3.85Å; I761-M775 HydrophobicContact CG1-CB 4.43Å; I761-M775 HydrophobicContact CG1-CG 4.48Å; I761-M775 HydrophobicContact CG1-SD 4.44Å; I761-M775 HydrophobicContact CG2-CE 3.93Å; I761-M775 HydrophobicContact CG2-SD 3.78Å; F763-M775 HydrophobicContact CB-CE 4.04Å; F763-M775 HydrophobicContact CD1-CE 3.11Å; F763-M775 HydrophobicContact CD2-CE 4.29Å; F763-M775 HydrophobicContact CE1-CE 3.47Å; F763-M775 VanDerWaalsContact CE1-CE 3.47Å; F763-M775 HydrophobicContact CG-CE 3.56Å; F763-M775 HydrophobicContact CZ-CE 4.2Å; R773-M775 HydrophobicContact CB-CE 4.16Å; R773-M775 HydrophobicContact CB-CG 4.27Å; M775-M783 HydrophobicContact SD-SD 4.26Å; M775-Y784 WeakPolarHBondContact CA-O 3.24Å; M775-T785 HydrophobicContact CE-CG2 3.99Å; M775-T785 HydrophobicContact CG-CG2 4.13Å; M775-T785 HydrophobicContact SD-CG2 4.3Å; M775-M826 HydrophobicContact CE-CE 3.92Å; M775-M826 HydrophobicContact SD-CE 3.53Å; M775-M826 VanDerWaalsContact SD-CE 3.53Å; M775-M826 HydrophobicContact SD-SD 4.44Å; M775-W837 HydrophobicContact CB-CH2 3.52Å; M775-W837 HydrophobicContact CB-CZ2 3.87Å; M775-W837 HydrophobicContact CB-CZ3 4.49Å
776	V	97.6	Very high	92.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	120	-171.7	-172.7	0	0	0	0	109.7	V755 F774 R778 M783 Y784 Y786	V755-V776 HydrophobicContact CB-CG1 4.2Å; V755-V776 HydrophobicContact CG1-CG1 3.69Å; V755-V776 HydrophobicContact CG2-CG1 3.62Å; F774-V776 HydrophobicContact CD1-CG2 3.69Å; F774-V776 HydrophobicContact CE1-CG2 3.55Å; V776-R778 HydrophobicContact CG1-CG 4.01Å; V776-M783 CarbonylContact O-C 3.56Å; V776-M783 WeakPolarHBondContact O-CA 3.27Å; V776-Y784 PolarHBondContact N-O 2.78Å; V776-Y784 PolarHBondContact O-N 3.24Å; V776-Y786 HydrophobicContact CB-CE2 3.94Å; V776-Y786 HydrophobicContact CG2-CD2 3.74Å; V776-Y786 HydrophobicContact CG2-CE2 3.5Å; V776-Y786 VanDerWaalsContact CG2-CE2 3.5Å
777	V	96.9	Very high	93.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.8	167.9	-176.2	0	0	0	0	108.9	L756 H757 M783 L800 W837 I840 L841 A844	L756-V777 PolarHBondContact N-O 3.04Å; H757-V777 PolarHBondContact N-O 2.69Å; H757-V777 PolarHBondContact O-N 3.29Å; V777-M783 HydrophobicContact CG2-CB 4.38Å; V777-M783 HydrophobicContact CG2-CG 4.28Å; V777-M783 HydrophobicContact CG2-SD 4.46Å; V777-L800 HydrophobicContact CG1-CD1 3.7Å; V777-L800 HydrophobicContact CG2-CD1 4.18Å; V777-W837 HydrophobicContact CG2-CE3 4.33Å; V777-W837 HydrophobicContact CG2-CH2 4.14Å; V777-W837 HydrophobicContact CG2-CZ3 3.52Å; V777-I840 HydrophobicContact CB-CG1 4.31Å; V777-I840 HydrophobicContact CG1-CG1 4.09Å; V777-I840 HydrophobicContact CG2-CG2 4.32Å; V777-L841 HydrophobicContact CG2-CD2 4.1Å; V777-A844 HydrophobicContact CG1-CB 4.36Å
778	R	94.9	Very high	93.8	Very high	13 Å²	13	31.6 Å²	31.6	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	167.5	-176.6	-71.7	-177.4	156.5	-76.7	0.1	113.3	P749 S753 G754 L756 V776 D780 F781 C782 Y784	P749-R778 PolarHBondContact O-NH2 2.97Å; S753-R778 PolarHBondContact O-NH1 2.92Å; G754-R778 CarbonylContact O-C 3.57Å; G754-R778 WeakPolarHBondContact O-CA 2.84Å; G754-R778 WeakPolarHBondContact O-CB 3.24Å; L756-R778 WeakPolarHBondContact CD1-O 3.38Å; V776-R778 HydrophobicContact CG1-CG 4.01Å; R778-D780 VanDerWaalsContact CB-OD1 3.25Å; R778-D780 WeakPolarHBondContact CB-OD1 3.31Å; R778-D780 PolarHBondContact O-N 2.94Å; R778-F781 WeakPolarHBondContact O-CA 3.31Å; R778-F781 PolarHBondContact O-N 2.92Å; R778-C782 PolarHBondContact N-O 2.88Å; R778-Y784 HydrophobicContact CB-CD2 4.35Å; R778-Y784 HydrophobicContact CB-CE2 4.07Å; R778-Y784 HydrophobicContact CG-CD2 4.05Å; R778-Y784 HydrophobicContact CG-CE2 4.11Å
779	D	92.2	Very high	94.5	Very high	80 Å²	80	33.2 Å²	33.2	43%	0.428	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-9	179.8	57.1	-12.8	0	0	0	114.7	L208 G754 L756	L208-D779 HydrophobicContact CD1-CB 3.9Å; G754-D779 WeakPolarHBondContact CA-OD1 3.17Å; G754-D779 VanDerWaalsContact CA-OD2 3.27Å; G754-D779 WeakPolarHBondContact CA-OD2 3.31Å; G754-D779 PolarHBondContact O-N 3.09Å; L756-D779 HydrophobicContact CD2-CB 4.2Å
780	D	90.5	Very high	94.9	Very high	61 Å²	61	34.5 Å²	34.5	33%	0.326	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.8	164.3	62.8	5	0	0	0	113.7	R778 C782 Y784	R778-D780 VanDerWaalsContact CB-OD1 3.25Å; R778-D780 WeakPolarHBondContact CB-OD1 3.31Å; R778-D780 PolarHBondContact O-N 2.94Å; D780-C782 PolarHBondContact O-N 2.89Å; D780-C782 WeakPolarHBondContact OD1-CB 3.4Å; D780-C782 PolarHBondContact OD1-N 3.3Å; D780-Y784 WeakPolarHBondContact OD2-CE2 3.38Å; D780-Y784 PolarHBondContact OD2-OH 2.76Å
781	F	93.5	Very high	94.9	Very high	16 Å²	16	32.2 Å²	32.2	7%	0.07	17%	0.169	C	C	.	.	S	Bend	trans	60.2	23.8	-172.5	-47.1	-71.9	0	0	0	114.4	L208 F209 R778 L800 P801 A844 A847 L849	L208-F781 HydrophobicContact CB-CE1 4.09Å; L208-F781 HydrophobicContact CB-CZ 3.89Å; L208-F781 HydrophobicContact CD2-CZ 4.16Å; L208-F781 HydrophobicContact CG-CZ 4.47Å; F209-F781 HydrophobicContact CD1-CE1 4.36Å; F209-F781 HydrophobicContact CE1-CD1 4.41Å; F209-F781 AromaticContact CE1-CE1 3.73Å; F209-F781 HydrophobicContact CE1-CE1 3.73Å; F209-F781 HydrophobicContact CZ-CE1 4.34Å; R778-F781 WeakPolarHBondContact O-CA 3.31Å; R778-F781 PolarHBondContact O-N 2.92Å; F781-L800 VanDerWaalsContact O-CB 3.26Å; F781-L800 WeakPolarHBondContact O-CB 2.99Å; F781-L800 WeakPolarHBondContact O-CG 3.27Å; F781-L800 PolarHBondContact O-N 2.99Å; F781-P801 HydrophobicContact CB-CG 3.84Å; F781-P801 WeakPolarHBondContact O-CD 3.29Å; F781-A844 HydrophobicContact CB-CB 4.4Å; F781-A844 HydrophobicContact CD1-CB 3.99Å; F781-A847 HydrophobicContact CD1-CB 3.59Å; F781-A847 HydrophobicContact CD2-CB 4.15Å; F781-A847 HydrophobicContact CE1-CB 3.44Å; F781-A847 VanDerWaalsContact CE1-CB 3.44Å; F781-A847 HydrophobicContact CE2-CB 4.01Å; F781-A847 HydrophobicContact CG-CB 3.93Å; F781-A847 HydrophobicContact CZ-CB 3.66Å; F781-L849 HydrophobicContact CD2-CD2 4.01Å
782	C	94.6	Very high	94.8	Very high	15 Å²	15	38 Å²	38	10%	0.101	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	145.5	168.5	-68.9	0	0	0	0	111	R778 D780 Y784 M797 L798	R778-C782 PolarHBondContact N-O 2.88Å; D780-C782 PolarHBondContact O-N 2.89Å; D780-C782 WeakPolarHBondContact OD1-CB 3.4Å; D780-C782 PolarHBondContact OD1-N 3.3Å; C782-Y784 HydrophobicContact CB-CD2 4.11Å; C782-Y784 HydrophobicContact CB-CE2 3.47Å; C782-Y784 VanDerWaalsContact CB-CE2 3.47Å; C782-M797 HydrophobicContact CB-CE 4.44Å; C782-M797 HydrophobicContact CB-CG 4.28Å; C782-L798 WeakPolarHBondContact CA-O 3.31Å
783	M	96.7	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.9	166.6	-176.4	167.9	57.4	0	0	109.4	L606 M775 V776 V777 M797 L798 L800 M826 W837 L841	L606-M783 HydrophobicContact CD1-CE 3.75Å; M775-M783 HydrophobicContact SD-SD 4.26Å; V776-M783 CarbonylContact O-C 3.56Å; V776-M783 WeakPolarHBondContact O-CA 3.27Å; V777-M783 HydrophobicContact CG2-CB 4.38Å; V777-M783 HydrophobicContact CG2-CG 4.28Å; V777-M783 HydrophobicContact CG2-SD 4.46Å; M783-M797 CarbonylContact O-C 3.58Å; M783-M797 WeakPolarHBondContact O-CA 3.49Å; M783-L798 HydrophobicContact CE-CD2 4Å; M783-L798 PolarHBondContact N-O 3.44Å; M783-L798 PolarHBondContact O-N 3.32Å; M783-L800 HydrophobicContact CB-CD1 4.2Å; M783-L800 HydrophobicContact CB-CD2 3.97Å; M783-L800 HydrophobicContact CB-CG 4.16Å; M783-L800 HydrophobicContact CE-CD2 4.14Å; M783-M826 HydrophobicContact CE-CE 3.58Å; M783-M826 HydrophobicContact SD-CE 4.09Å; M783-W837 HydrophobicContact SD-CH2 4.39Å; M783-W837 HydrophobicContact SD-CZ3 3.77Å; M783-L841 HydrophobicContact SD-CD2 4.02Å
784	Y	96.7	Very high	94.5	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147	-177.6	-67.1	-99.5	0	0	0	110.2	L745 L746 L748 M775 V776 R778 D780 C782 A794 M797	L745-Y784 WeakPolarHBondContact O-CE1 3.28Å; L746-Y784 HydrophobicContact CD2-CD1 4.45Å; L748-Y784 HydrophobicContact CD1-CE1 3.9Å; L748-Y784 HydrophobicContact CD1-CE2 4.32Å; L748-Y784 WeakPolarHBondContact CD1-OH 3.41Å; M775-Y784 WeakPolarHBondContact CA-O 3.24Å; V776-Y784 PolarHBondContact N-O 2.78Å; V776-Y784 PolarHBondContact O-N 3.24Å; R778-Y784 HydrophobicContact CB-CD2 4.35Å; R778-Y784 HydrophobicContact CB-CE2 4.07Å; R778-Y784 HydrophobicContact CG-CD2 4.05Å; R778-Y784 HydrophobicContact CG-CE2 4.11Å; D780-Y784 WeakPolarHBondContact OD2-CE2 3.38Å; D780-Y784 PolarHBondContact OD2-OH 2.76Å; C782-Y784 HydrophobicContact CB-CD2 4.11Å; C782-Y784 HydrophobicContact CB-CE2 3.47Å; C782-Y784 VanDerWaalsContact CB-CE2 3.47Å; Y784-A794 HydrophobicContact CD1-CB 3.75Å; Y784-A794 HydrophobicContact CG-CB 4.44Å; Y784-M797 HydrophobicContact CD1-CB 4.48Å; Y784-M797 HydrophobicContact CE1-CB 4.49Å; Y784-M797 HydrophobicContact CE1-CE 3.51Å; Y784-M797 WeakPolarHBondContact OH-CE 3.45Å
785	T	96.1	Very high	94.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.7	177.7	59	0	0	0	0	112	L606 M775 A794 L795 A796	L606-T785 HydrophobicContact CD2-CG2 3.84Å; M775-T785 HydrophobicContact CE-CG2 3.99Å; M775-T785 HydrophobicContact CG-CG2 4.13Å; M775-T785 HydrophobicContact SD-CG2 4.3Å; T785-A794 WeakPolarHBondContact O-CA 3.28Å; T785-L795 PolarHBondContact O-N 3.16Å; T785-A796 PolarHBondContact N-O 3.41Å; T785-A796 VanDerWaalsContact N-O 3.1Å; T785-A796 PolarHBondContact OG1-N 2.86Å
786	Y	96.3	Very high	94	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.2	-176.4	-57.9	-94.4	0	0	0	109.8	L748 P749 A750 R773 F774 V776 S788 D791 C793 A794	L748-Y786 VanDerWaalsContact O-CE1 3.26Å; L748-Y786 WeakPolarHBondContact O-CE1 3.42Å; L748-Y786 PolarHBondContact O-OH 2.97Å; P749-Y786 PolarHBondContact O-OH 2.95Å; A750-Y786 HydrophobicContact CB-CD1 3.88Å; A750-Y786 HydrophobicContact CB-CD2 4Å; A750-Y786 HydrophobicContact CB-CE1 4.02Å; A750-Y786 HydrophobicContact CB-CE2 4.17Å; A750-Y786 HydrophobicContact CB-CG 3.86Å; R773-Y786 WeakPolarHBondContact CA-O 3.29Å; R773-Y786 WeakPolarHBondContact CB-O 3.46Å; R773-Y786 WeakPolarHBondContact CD-O 3.29Å; F774-Y786 HydrophobicContact CD1-CD2 4.46Å; F774-Y786 PolarHBondContact N-O 2.76Å; F774-Y786 PolarHBondContact O-N 2.69Å; V776-Y786 HydrophobicContact CB-CE2 3.94Å; V776-Y786 HydrophobicContact CG2-CD2 3.74Å; V776-Y786 HydrophobicContact CG2-CE2 3.5Å; V776-Y786 VanDerWaalsContact CG2-CE2 3.5Å; Y786-S788 VanDerWaalsContact CB-O 3.23Å; Y786-S788 WeakPolarHBondContact CB-O 3.33Å; Y786-D791 HydrophobicContact CD1-CB 3.66Å; Y786-D791 HydrophobicContact CG-CB 4.33Å; Y786-C793 WeakPolarHBondContact CD1-O 3.2Å; Y786-A794 HydrophobicContact CD1-CB 4.22Å; Y786-A794 VanDerWaalsContact CE1-CA 3.46Å; Y786-A794 HydrophobicContact CE1-CB 3.71Å; Y786-A794 VanDerWaalsContact CE1-N 3.33Å; Y786-A794 HydrophobicContact CE2-CB 4.32Å
787	S	93.6	Very high	93.9	Very high	70 Å²	70	37.5 Å²	37.5	49%	0.49	20%	0.203	S	C	.	.	S	Bend	trans	-75.1	-37.7	170.8	-69.9	0	0	0	0	111.3	D791	S787-D791 WeakPolarHBondContact CA-OD2 3.48Å; S787-D791 WeakPolarHBondContact CB-OD2 3.39Å; S787-D791 PolarHBondContact N-OD2 2.88Å
788	S	93.8	Very high	93.8	Very high	34 Å²	34	37.5 Å²	37.5	24%	0.238	20%	0.203	C	C	.	.	S	Bend	trans	-130.3	172	-177.7	81.4	0	0	0	0	111.6	Y786 E790 D791	Y786-S788 VanDerWaalsContact CB-O 3.23Å; Y786-S788 WeakPolarHBondContact CB-O 3.33Å; S788-E790 VanDerWaalsContact C-N 3.3Å; S788-E790 VanDerWaalsContact CB-OE2 3.24Å; S788-E790 WeakPolarHBondContact CB-OE2 3.46Å; S788-E790 PolarHBondContact OG-N 2.97Å; S788-E790 PolarHBondContact OG-OE2 3.17Å; S788-D791 PolarHBondContact N-OD2 3.32Å; S788-D791 PolarHBondContact OG-N 3.19Å; S788-D791 PolarHBondContact OG-OD1 3.04Å
789	E	95.1	Very high	93.7	Very high	78 Å²	78	39.7 Å²	39.7	36%	0.364	22%	0.219	S	C	.	.	S	Bend	trans	-88.8	-2.9	172.7	62.2	158.2	-149.9	0	0	112.8	K751 F774	K751-E789 WeakPolarHBondContact CE-O 3.34Å; K751-E789 WeakPolarHBondContact CE-OE1 3.34Å; K751-E789 WeakPolarHBondContact CE-OE2 3.43Å; K751-E789 IonicContact NZ-OE1 3.21Å; K751-E789 PolarHBondContact NZ-OE1 2.89Å; K751-E789 IonicContact NZ-OE2 2.71Å; K751-E789 PolarHBondContact NZ-OE2 3.12Å; F774-E789 HydrophobicContact CD1-CB 3.99Å; F774-E789 HydrophobicContact CD2-CB 3.75Å; F774-E789 HydrophobicContact CE1-CB 3.93Å; F774-E789 HydrophobicContact CE2-CB 3.69Å; F774-E789 HydrophobicContact CG-CB 3.89Å; F774-E789 HydrophobicContact CZ-CB 3.78Å
790	E	93.3	Very high	93.8	Very high	138 Å²	138	36 Å²	36	65%	0.645	20%	0.199	S	C	*	.	S	Bend	trans	-97.8	-11.6	177.5	-58.4	90.6	154.2	0	0	112.6	S788 I792	S788-E790 VanDerWaalsContact C-N 3.3Å; S788-E790 VanDerWaalsContact CB-OE2 3.24Å; S788-E790 WeakPolarHBondContact CB-OE2 3.46Å; S788-E790 PolarHBondContact OG-N 2.97Å; S788-E790 PolarHBondContact OG-OE2 3.17Å; E790-I792 PolarHBondContact O-N 3.47Å
791	D	92	Very high	93.8	Very high	43 Å²	43	34.6 Å²	34.6	23%	0.23	19%	0.193	C	C	.	.			trans	-60.3	128.5	-177.2	-74.4	-9.8	0	0	0	112.1	P749 A750 Y786 S787 S788 C793	P749-D791 WeakPolarHBondContact CA-O 3.09Å; A750-D791 PolarHBondContact N-O 2.7Å; Y786-D791 HydrophobicContact CD1-CB 3.66Å; Y786-D791 HydrophobicContact CG-CB 4.33Å; S787-D791 WeakPolarHBondContact CA-OD2 3.48Å; S787-D791 WeakPolarHBondContact CB-OD2 3.39Å; S787-D791 PolarHBondContact N-OD2 2.88Å; S788-D791 PolarHBondContact N-OD2 3.32Å; S788-D791 PolarHBondContact OG-N 3.19Å; S788-D791 PolarHBondContact OG-OD1 3.04Å; D791-C793 VanDerWaalsContact C-N 3.34Å
792	I	91.4	Very high	93.5	Very high	134 Å²	134	36.7 Å²	36.7	69%	0.687	22%	0.22	S	C	*	.	S	Bend	trans	-88	3.2	177.2	64.1	169.7	0	0	0	114.2	L748 E790	L748-I792 CarbonylContact C-O 3.57Å; E790-I792 PolarHBondContact O-N 3.47Å
793	C	90.1	Very high	93.4	Very high	42 Å²	42	36.8 Å²	36.8	28%	0.284	22%	0.22	S	C	.	.	S	Bend	trans	-151.5	133.9	-179.2	-173.9	0	0	0	0	109.9	L746 Y786 D791	L746-C793 CarbonylContact O-C 3.51Å; L746-C793 VanDerWaalsContact O-CA 3.3Å; L746-C793 WeakPolarHBondContact O-CA 3.43Å; L746-C793 PolarHBondContact O-SG 3.43Å; Y786-C793 WeakPolarHBondContact CD1-O 3.2Å; D791-C793 VanDerWaalsContact C-N 3.34Å
794	A	93.5	Very high	93	Very high	3 Å²	3	39.4 Å²	39.4	3%	0.025	23%	0.232	C	C	.	.			trans	-73.6	153.6	174.8	0	0	0	0	0	111.9	L746 Y784 T785 Y786	L746-A794 HydrophobicContact CB-CB 4.33Å; L746-A794 HydrophobicContact CD2-CB 4.01Å; L746-A794 PolarHBondContact O-N 3.24Å; Y784-A794 HydrophobicContact CD1-CB 3.75Å; Y784-A794 HydrophobicContact CG-CB 4.44Å; T785-A794 WeakPolarHBondContact O-CA 3.28Å; Y786-A794 HydrophobicContact CD1-CB 4.22Å; Y786-A794 VanDerWaalsContact CE1-CA 3.46Å; Y786-A794 HydrophobicContact CE1-CB 3.71Å; Y786-A794 VanDerWaalsContact CE1-N 3.33Å; Y786-A794 HydrophobicContact CE2-CB 4.32Å
795	L	92.6	Very high	92.8	Very high	34 Å²	34	39.3 Å²	39.3	18%	0.178	23%	0.232	C	C	.	.	S	Bend	trans	-87.1	-38.9	175.7	-56.7	170.9	0	0	0	111.7	E609 T785	E609-L795 HydrophobicContact CG-CB 4.07Å; T785-L795 PolarHBondContact O-N 3.16Å
796	A	93.3	Very high	92.4	Very high	5 Å²	5	41.9 Å²	41.9	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	166.6	177.4	0	0	0	0	0	111.6	T785	T785-A796 PolarHBondContact N-O 3.41Å; T785-A796 VanDerWaalsContact N-O 3.1Å; T785-A796 PolarHBondContact OG1-N 2.86Å
797	M	94.1	Very high	91.7	Very high	17 Å²	17	45.7 Å²	45.7	8%	0.084	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	155.2	179.6	164.6	-173.5	-82.5	0	0	108.6	E602 D604 L745 L746 C782 M783 Y784	E602-M797 HydrophobicContact CB-SD 4.36Å; D604-M797 CarbonylContact C-O 3.52Å; D604-M797 VanDerWaalsContact C-O 3.26Å; D604-M797 WeakPolarHBondContact CA-O 3.49Å; L745-M797 HydrophobicContact CB-CE 4.01Å; L745-M797 HydrophobicContact CD1-CE 4.46Å; L746-M797 HydrophobicContact CD2-CB 3.93Å; C782-M797 HydrophobicContact CB-CE 4.44Å; C782-M797 HydrophobicContact CB-CG 4.28Å; M783-M797 CarbonylContact O-C 3.58Å; M783-M797 WeakPolarHBondContact O-CA 3.49Å; Y784-M797 HydrophobicContact CD1-CB 4.48Å; Y784-M797 HydrophobicContact CE1-CB 4.49Å; Y784-M797 HydrophobicContact CE1-CE 3.51Å; Y784-M797 WeakPolarHBondContact OH-CE 3.45Å
798	L	94.8	Very high	90.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	115.3	161	171.1	61.2	0	0	0	109.2	L606 C782 M783 L800 V818 Y824	L606-L798 HydrophobicContact CD1-CB 4.33Å; L606-L798 HydrophobicContact CD1-CD2 3.92Å; L606-L798 HydrophobicContact CD2-CB 3.67Å; L606-L798 HydrophobicContact CG-CB 4.06Å; L606-L798 HydrophobicContact CG-CD2 4.36Å; C782-L798 WeakPolarHBondContact CA-O 3.31Å; M783-L798 HydrophobicContact CE-CD2 4Å; M783-L798 PolarHBondContact N-O 3.44Å; M783-L798 PolarHBondContact O-N 3.32Å; L798-L800 HydrophobicContact CD2-CD2 4.48Å; L798-L800 PolarHBondContact O-N 3Å; L798-V818 HydrophobicContact CD1-CB 4.43Å; L798-V818 HydrophobicContact CD1-CG1 3.86Å; L798-V818 HydrophobicContact CD1-CG2 3.68Å; L798-V818 HydrophobicContact CD2-CG2 3.7Å; L798-V818 HydrophobicContact CG-CG2 4.33Å; L798-Y824 HydrophobicContact CD2-CD2 4.19Å; L798-Y824 HydrophobicContact CD2-CE2 4.01Å
799	P	93.4	Very high	89.4	Confident	59 Å²	59	47.1 Å²	47.1	38%	0.383	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	125.2	167.3	-20.2	33.9	0	0	0	110.3
800	L	94	Very high	88.4	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	30%	0.298	C	S	.	.			trans	-81.4	-34.5	-177	-61.3	173	0	0	0	115.2	V777 F781 M783 L798 G802 C803 L841 A844 A845	V777-L800 HydrophobicContact CG1-CD1 3.7Å; V777-L800 HydrophobicContact CG2-CD1 4.18Å; F781-L800 VanDerWaalsContact O-CB 3.26Å; F781-L800 WeakPolarHBondContact O-CB 2.99Å; F781-L800 WeakPolarHBondContact O-CG 3.27Å; F781-L800 PolarHBondContact O-N 2.99Å; M783-L800 HydrophobicContact CB-CD1 4.2Å; M783-L800 HydrophobicContact CB-CD2 3.97Å; M783-L800 HydrophobicContact CB-CG 4.16Å; M783-L800 HydrophobicContact CE-CD2 4.14Å; L798-L800 HydrophobicContact CD2-CD2 4.48Å; L798-L800 PolarHBondContact O-N 3Å; L800-G802 PolarHBondContact O-N 2.83Å; L800-C803 VanDerWaalsContact O-CB 3.22Å; L800-C803 WeakPolarHBondContact O-CB 3.43Å; L800-C803 PolarHBondContact O-N 3.19Å; L800-C803 PolarHBondContact O-SG 3.47Å; L800-L841 HydrophobicContact CD1-CD2 3.76Å; L800-L841 HydrophobicContact CD2-CD2 3.78Å; L800-L841 HydrophobicContact CG-CD2 4.45Å; L800-A844 HydrophobicContact CB-CB 4.11Å; L800-A844 HydrophobicContact CD1-CB 3.57Å; L800-A845 WeakPolarHBondContact O-CA 3.46Å
801	P	90.6	Very high	87.8	Confident	32 Å²	32	50.7 Å²	50.7	21%	0.208	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	120.8	-175.4	-31.6	37.2	0	0	0	114	F781 A845 L849	F781-P801 HydrophobicContact CB-CG 3.84Å; F781-P801 WeakPolarHBondContact O-CD 3.29Å; P801-A845 WeakPolarHBondContact CA-O 3.47Å; P801-L849 HydrophobicContact CB-CD1 4.21Å; P801-L849 HydrophobicContact CB-CG 4.32Å; P801-L849 HydrophobicContact CG-CD1 4.22Å; P801-L849 HydrophobicContact CG-CD2 4.11Å; P801-L849 HydrophobicContact CG-CG 4.05Å
802	G	87.6	Confident	87.7	Confident	61 Å²	61	51 Å²	51	63%	0.629	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	3.6	-175.7	0	0	0	0	0	115.8	L800 A845	L800-G802 PolarHBondContact O-N 2.83Å; G802-A845 PolarHBondContact N-O 3.15Å
803	C	91.5	Very high	87.6	Confident	16 Å²	16	44.7 Å²	44.7	11%	0.108	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-72.8	150.3	167.1	-65.9	0	0	0	0	111.6	L800 V816 R817 A845	L800-C803 VanDerWaalsContact O-CB 3.22Å; L800-C803 WeakPolarHBondContact O-CB 3.43Å; L800-C803 PolarHBondContact O-N 3.19Å; L800-C803 PolarHBondContact O-SG 3.47Å; C803-V816 HydrophobicContact CB-CG1 3.61Å; C803-R817 CarbonylContact C-O 3.55Å; C803-R817 WeakPolarHBondContact CA-O 3.19Å; C803-R817 WeakPolarHBondContact CB-O 3.49Å; C803-A845 HydrophobicContact CB-CB 4.38Å; C803-A845 WeakPolarHBondContact O-CB 3.43Å
804	E	90	Very high	87.8	Confident	56 Å²	56	42.7 Å²	42.7	26%	0.262	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.1	172	178.1	-168.9	-152.5	0	0	109.1	K806 R817	E804-K806 HydrophobicContact CG-CD 4.26Å; E804-K806 HydrophobicContact CG-CG 4.32Å; E804-K806 WeakPolarHBondContact OE1-CE 3.47Å; E804-K806 IonicContact OE1-NZ 2.77Å; E804-K806 PolarHBondContact OE1-NZ 3.2Å; E804-R817 HydrophobicContact CB-CB 4.22Å; E804-R817 PolarHBondContact N-O 3.38Å; E804-R817 PolarHBondContact O-N 3.17Å; E804-R817 IonicContact OE1-NH1 2.75Å; E804-R817 WeakPolarHBondContact OE2-CD 3.29Å; E804-R817 IonicContact OE2-CZ 2.69Å; E804-R817 IonicContact OE2-NE 2.64Å; E804-R817 PolarHBondContact OE2-NE 3.15Å; E804-R817 IonicContact OE2-NH1 3.71Å; E804-R817 PolarHBondContact OE2-NH1 2.68Å; E804-R817 IonicContact OE2-NH2 3.76Å
805	V	91.8	Very high	87.7	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.1	-179.8	-178.6	0	0	0	0	109.1	L218 S815 V816 L838 L841 A845	L218-V805 HydrophobicContact CD1-CG1 4.44Å; L218-V805 WeakPolarHBondContact CD2-O 3.48Å; V805-S815 WeakPolarHBondContact CA-O 3.47Å; V805-V816 HydrophobicContact CG2-CG1 4.28Å; V805-V816 HydrophobicContact CG2-CG2 4.38Å; V805-L838 HydrophobicContact CG1-CD2 4Å; V805-L841 HydrophobicContact CG1-CB 4.01Å; V805-L841 HydrophobicContact CG2-CB 3.86Å; V805-A845 HydrophobicContact CG2-CB 4.05Å
806	K	86.7	Confident	87.8	Confident	53 Å²	53	41.2 Å²	41.2	23%	0.23	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.3	-179.2	-82.2	-177.1	164.3	166.3	0	113.4	E804 F814 S815	E804-K806 HydrophobicContact CG-CD 4.26Å; E804-K806 HydrophobicContact CG-CG 4.32Å; E804-K806 WeakPolarHBondContact OE1-CE 3.47Å; E804-K806 IonicContact OE1-NZ 2.77Å; E804-K806 PolarHBondContact OE1-NZ 3.2Å; K806-F814 CarbonylContact O-C 3.59Å; K806-F814 WeakPolarHBondContact O-CA 3.44Å; K806-S815 PolarHBondContact N-O 3.4Å; K806-S815 PolarHBondContact O-N 2.83Å; K806-S815 PolarHBondContact O-OG 3.47Å
807	M	83.1	Confident	87.8	Confident	81 Å²	81	45.2 Å²	45.2	40%	0.399	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	146.7	164.3	-65.5	-173.4	74	0	0	110.7	F190 L838	F190-M807 HydrophobicContact CD1-CE 3.86Å; F190-M807 HydrophobicContact CD1-SD 3.9Å; F190-M807 HydrophobicContact CD2-CE 4.45Å; F190-M807 HydrophobicContact CE1-CE 3.34Å; F190-M807 HydrophobicContact CE1-SD 3.41Å; F190-M807 WeakPolarHBondContact CE1-SD 3.34Å; F190-M807 HydrophobicContact CE2-CE 3.98Å; F190-M807 HydrophobicContact CG-CE 4.4Å; F190-M807 HydrophobicContact CZ-CE 3.4Å; F190-M807 VanDerWaalsContact CZ-CE 3.4Å; F190-M807 HydrophobicContact CZ-SD 4.07Å; M807-L838 HydrophobicContact CE-CD1 4.43Å; M807-L838 HydrophobicContact CG-CD1 3.7Å; M807-L838 HydrophobicContact CG-CD2 4.06Å; M807-L838 HydrophobicContact SD-CD1 4.34Å
808	C	76.3	Confident	87.5	Confident	41 Å²	41	45.5 Å²	45.5	28%	0.277	26%	0.263	S	S	.	.			trans	-113.8	162.3	173.2	-70.8	0	0	0	0	110.2	E810 T813 S815	C808-E810 VanDerWaalsContact C-N 3.32Å; C808-E810 PolarHBondContact O-N 3.38Å; C808-T813 WeakPolarHBondContact CB-OG1 3.43Å; C808-T813 PolarHBondContact N-O 2.68Å; C808-S815 VanDerWaalsContact SG-CB 3.59Å; C808-S815 PolarHBondContact SG-OG 3.01Å
809	G	61.6	Low	86.9	Confident	93 Å²	93	48 Å²	48	96%	0.959	29%	0.29	S	S	*	.	S	Bend	trans	-78.7	-10.9	-175.7	0	0	0	0	0	115
810	E	74.7	Confident	86.1	Confident	129 Å²	129	50.2 Å²	50.2	60%	0.603	31%	0.313	S	S	*	.	S	Bend	trans	-85	147.6	177.5	-62.5	171.6	-174.1	0	0	110.3	C808 F812 T813	C808-E810 VanDerWaalsContact C-N 3.32Å; C808-E810 PolarHBondContact O-N 3.38Å; E810-F812 PolarHBondContact O-N 3.18Å; E810-T813 VanDerWaalsContact C-OG1 3.32Å; E810-T813 HydrophobicContact CB-CG2 3.59Å; E810-T813 WeakPolarHBondContact CB-OG1 3.22Å; E810-T813 PolarHBondContact N-OG1 3.28Å; E810-T813 WeakPolarHBondContact O-CB 3.48Å; E810-T813 PolarHBondContact O-N 2.65Å; E810-T813 VanDerWaalsContact O-N 3.08Å; E810-T813 PolarHBondContact O-OG1 2.83Å
811	K	80.8	Confident	85.1	Confident	161 Å²	161	58 Å²	58	70%	0.7	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	129.1	-174.7	-177.1	174.1	175.1	179.6	0	111.9	T813	K811-T813 PolarHBondContact O-N 3.41Å
812	F	90	Very high	84.9	Confident	49 Å²	49	58.2 Å²	58.2	22%	0.215	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	19.4	-177.9	-47.5	-31.1	0	0	0	115.3	E810 A828 E829 D830 E831	E810-F812 PolarHBondContact O-N 3.18Å; F812-A828 HydrophobicContact CB-CB 4.42Å; F812-A828 WeakPolarHBondContact CB-O 3.35Å; F812-A828 PolarHBondContact O-N 2.78Å; F812-E829 WeakPolarHBondContact CD2-O 3.46Å; F812-E829 VanDerWaalsContact CE2-O 3.23Å; F812-E829 WeakPolarHBondContact CE2-O 3.36Å; F812-D830 HydrophobicContact CE2-CB 4.49Å; F812-E831 HydrophobicContact CD1-CB 4.18Å; F812-E831 HydrophobicContact CE1-CB 3.78Å
813	T	89.3	Confident	85	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	151.1	-178.1	68.7	0	0	0	0	114.9	C808 E810 K811 M826 T827 Q834	C808-T813 WeakPolarHBondContact CB-OG1 3.43Å; C808-T813 PolarHBondContact N-O 2.68Å; E810-T813 VanDerWaalsContact C-OG1 3.32Å; E810-T813 HydrophobicContact CB-CG2 3.59Å; E810-T813 WeakPolarHBondContact CB-OG1 3.22Å; E810-T813 PolarHBondContact N-OG1 3.28Å; E810-T813 WeakPolarHBondContact O-CB 3.48Å; E810-T813 PolarHBondContact O-N 2.65Å; E810-T813 VanDerWaalsContact O-N 3.08Å; E810-T813 PolarHBondContact O-OG1 2.83Å; K811-T813 PolarHBondContact O-N 3.41Å; T813-M826 CarbonylContact C-O 3.5Å; T813-M826 WeakPolarHBondContact CA-O 3.3Å; T813-M826 WeakPolarHBondContact CB-O 3.45Å; T813-T827 HydrophobicContact CG2-CG2 4.15Å; T813-Q834 PolarHBondContact O-NE2 2.95Å
814	F	93.2	Very high	85.2	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	170	174.5	55.2	-80	0	0	0	109.7	I761 K806 M826 A828 Q834 W837 L838 L841	I761-F814 HydrophobicContact CD1-CZ 4.23Å; K806-F814 CarbonylContact O-C 3.59Å; K806-F814 WeakPolarHBondContact O-CA 3.44Å; F814-M826 HydrophobicContact CD1-CB 4.33Å; F814-M826 HydrophobicContact CD2-CB 3.94Å; F814-M826 HydrophobicContact CD2-SD 4.31Å; F814-M826 HydrophobicContact CE1-CB 3.98Å; F814-M826 HydrophobicContact CE2-CB 3.55Å; F814-M826 HydrophobicContact CE2-CG 4.11Å; F814-M826 HydrophobicContact CE2-SD 3.53Å; F814-M826 VanDerWaalsContact CE2-SD 3.53Å; F814-M826 HydrophobicContact CG-CB 4.31Å; F814-M826 HydrophobicContact CZ-CB 3.57Å; F814-M826 HydrophobicContact CZ-CG 4.44Å; F814-M826 HydrophobicContact CZ-SD 4.12Å; F814-M826 PolarHBondContact N-O 2.81Å; F814-M826 PolarHBondContact O-N 3.07Å; F814-A828 HydrophobicContact CE1-CB 4.22Å; F814-Q834 HydrophobicContact CD1-CG 4.04Å; F814-W837 HydrophobicContact CE1-CB 4Å; F814-W837 HydrophobicContact CE1-CG 4.42Å; F814-W837 HydrophobicContact CE2-CB 3.97Å; F814-W837 HydrophobicContact CE2-CG 4.46Å; F814-W837 HydrophobicContact CZ-CB 3.53Å; F814-W837 HydrophobicContact CZ-CD2 4.26Å; F814-W837 AromaticContact CZ-CG 3.78Å; F814-W837 HydrophobicContact CZ-CG 3.78Å; F814-L838 HydrophobicContact CB-CD2 3.71Å; F814-L838 HydrophobicContact CB-CG 4.2Å; F814-L838 HydrophobicContact CG-CD2 4.35Å; F814-L838 HydrophobicContact CG-CG 4.48Å; F814-L841 HydrophobicContact CD2-CD1 3.95Å; F814-L841 HydrophobicContact CE2-CD1 3.5Å
815	S	93.1	Very high	85.3	Confident	7 Å²	7	57.2 Å²	57.2	5%	0.049	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.9	-177	56.4	0	0	0	0	113.9	V805 K806 C808 Y824	V805-S815 WeakPolarHBondContact CA-O 3.47Å; K806-S815 PolarHBondContact N-O 3.4Å; K806-S815 PolarHBondContact O-N 2.83Å; K806-S815 PolarHBondContact O-OG 3.47Å; C808-S815 VanDerWaalsContact SG-CB 3.59Å; C808-S815 PolarHBondContact SG-OG 3.01Å; S815-Y824 CarbonylContact C-O 3.43Å; S815-Y824 VanDerWaalsContact CA-O 3.3Å; S815-Y824 WeakPolarHBondContact CA-O 3.46Å
816	V	94.5	Very high	85.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	82	163.7	-131.6	0	0	0	0	117.7	C803 V805 M823 Y824 M826 L841	C803-V816 HydrophobicContact CB-CG1 3.61Å; V805-V816 HydrophobicContact CG2-CG1 4.28Å; V805-V816 HydrophobicContact CG2-CG2 4.38Å; V816-M823 CarbonylContact O-C 3.53Å; V816-M823 WeakPolarHBondContact O-CA 3.34Å; V816-Y824 PolarHBondContact N-O 2.69Å; V816-Y824 PolarHBondContact O-N 2.75Å; V816-M826 HydrophobicContact CG2-SD 4.39Å; V816-L841 HydrophobicContact CG2-CD1 3.79Å
817	R	92	Very high	86	Confident	89 Å²	89	56.9 Å²	56.9	34%	0.336	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.3	177	-171.8	-174.5	-59.6	152.4	14	112.4	C803 E804 G819 R822	C803-R817 CarbonylContact C-O 3.55Å; C803-R817 WeakPolarHBondContact CA-O 3.19Å; C803-R817 WeakPolarHBondContact CB-O 3.49Å; E804-R817 HydrophobicContact CB-CB 4.22Å; E804-R817 PolarHBondContact N-O 3.38Å; E804-R817 PolarHBondContact O-N 3.17Å; E804-R817 IonicContact OE1-NH1 2.75Å; E804-R817 WeakPolarHBondContact OE2-CD 3.29Å; E804-R817 IonicContact OE2-CZ 2.69Å; E804-R817 IonicContact OE2-NE 2.64Å; E804-R817 PolarHBondContact OE2-NE 3.15Å; E804-R817 IonicContact OE2-NH1 3.71Å; E804-R817 PolarHBondContact OE2-NH1 2.68Å; E804-R817 IonicContact OE2-NH2 3.76Å; R817-G819 VanDerWaalsContact CG-O 3.31Å; R817-G819 WeakPolarHBondContact CG-O 3.19Å; R817-R822 WeakPolarHBondContact CG-O 3.3Å
818	V	89.2	Confident	86.5	Confident	23 Å²	23	53.3 Å²	53.3	14%	0.139	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	93	-176.4	-168.3	0	0	0	0	109.1	L798 R822 Y824	L798-V818 HydrophobicContact CD1-CB 4.43Å; L798-V818 HydrophobicContact CD1-CG1 3.86Å; L798-V818 HydrophobicContact CD1-CG2 3.68Å; L798-V818 HydrophobicContact CD2-CG2 3.7Å; L798-V818 HydrophobicContact CG-CG2 4.33Å; V818-R822 HydrophobicContact CB-CB 4.22Å; V818-R822 PolarHBondContact N-O 2.66Å; V818-Y824 HydrophobicContact CG2-CD2 4.23Å; V818-Y824 HydrophobicContact CG2-CE2 3.88Å
819	G	82.4	Confident	87.3	Confident	54 Å²	54	59.3 Å²	59.3	56%	0.557	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	-153.1	-172	0	0	0	0	0	112.9	R817	R817-G819 VanDerWaalsContact CG-O 3.31Å; R817-G819 WeakPolarHBondContact CG-O 3.19Å
820	A	76.1	Confident	88.7	Confident	105 Å²	105	57.8 Å²	57.8	87%	0.868	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-18.1	-174.6	0	0	0	0	0	115.2
821	R	71.7	Confident	89.3	Confident	164 Å²	164	56.3 Å²	56.3	62%	0.619	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-33.1	-165.2	-62.3	-173.3	-173	-179.9	5.3	115.1	S556	S556-R821 PolarHBondContact O-NH1 2.77Å
822	R	86.6	Confident	89.6	Confident	36 Å²	36	53.2 Å²	53.2	14%	0.136	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.1	-175	-66.1	-178	-62.3	-161.6	4.2	111.7	D604 R817 V818	D604-R822 IonicContact OD1-CZ 3.6Å; D604-R822 IonicContact OD1-NH1 3.6Å; D604-R822 PolarHBondContact OD1-NH1 2.99Å; D604-R822 IonicContact OD1-NH2 2.69Å; D604-R822 PolarHBondContact OD1-NH2 2.88Å; D604-R822 VanDerWaalsContact OD1-NH2 3.17Å; D604-R822 IonicContact OD2-CZ 2.76Å; D604-R822 IonicContact OD2-NH1 3.41Å; D604-R822 IonicContact OD2-NH2 2.63Å; D604-R822 PolarHBondContact OD2-NH2 3.47Å; R817-R822 WeakPolarHBondContact CG-O 3.3Å; V818-R822 HydrophobicContact CB-CB 4.22Å; V818-R822 PolarHBondContact N-O 2.66Å
823	M	90.7	Very high	89.7	Confident	72 Å²	72	52.1 Å²	52.1	36%	0.355	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133	171.6	178.6	-172.4	-67.5	0	0	108.4	G765 V816	G765-M823 CarbonylContact C-O 3.52Å; G765-M823 WeakPolarHBondContact CA-O 3.13Å; V816-M823 CarbonylContact O-C 3.53Å; V816-M823 WeakPolarHBondContact O-CA 3.34Å
824	Y	94.5	Very high	89.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.4	170.6	-54.6	-73.2	0	0	0	108.9	N605 L606 E607 F763 R764 L798 S815 V816 V818	N605-Y824 WeakPolarHBondContact CA-OH 3.2Å; N605-Y824 PolarHBondContact OD1-OH 2.86Å; L606-Y824 HydrophobicContact CB-CD1 4.29Å; L606-Y824 HydrophobicContact CB-CE1 3.86Å; L606-Y824 HydrophobicContact CD1-CD1 4.28Å; L606-Y824 HydrophobicContact CD1-CD2 3.8Å; L606-Y824 HydrophobicContact CD1-CE1 4.38Å; L606-Y824 HydrophobicContact CD1-CE2 3.89Å; L606-Y824 HydrophobicContact CD1-CG 4Å; L606-Y824 HydrophobicContact CG-CD2 4.48Å; L606-Y824 HydrophobicContact CG-CE1 4.32Å; L606-Y824 HydrophobicContact CG-CE2 4.08Å; L606-Y824 PolarHBondContact N-OH 3.29Å; E607-Y824 HydrophobicContact CG-CE1 4.31Å; F763-Y824 AromaticContact CD2-CD1 3.96Å; F763-Y824 HydrophobicContact CD2-CD1 3.96Å; F763-Y824 HydrophobicContact CD2-CG 4.49Å; F763-Y824 AromaticContact CE2-CD1 3.95Å; F763-Y824 HydrophobicContact CE2-CD1 3.95Å; F763-Y824 HydrophobicContact CE2-CE1 4.39Å; R764-Y824 CarbonylContact O-C 3.52Å; R764-Y824 WeakPolarHBondContact O-CA 3.48Å; L798-Y824 HydrophobicContact CD2-CD2 4.19Å; L798-Y824 HydrophobicContact CD2-CE2 4.01Å; S815-Y824 CarbonylContact C-O 3.43Å; S815-Y824 VanDerWaalsContact CA-O 3.3Å; S815-Y824 WeakPolarHBondContact CA-O 3.46Å; V816-Y824 PolarHBondContact N-O 2.69Å; V816-Y824 PolarHBondContact O-N 2.75Å; V818-Y824 HydrophobicContact CG2-CD2 4.23Å; V818-Y824 HydrophobicContact CG2-CE2 3.88Å
825	T	94	Very high	89.7	Confident	41 Å²	41	53.2 Å²	53.2	25%	0.252	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.3	166.8	-57.1	0	0	0	0	108.1	F763 R764	F763-T825 CarbonylContact C-O 3.57Å; F763-T825 WeakPolarHBondContact CA-O 3.18Å; F763-T825 WeakPolarHBondContact CB-O 3.42Å; R764-T825 PolarHBondContact N-O 3.28Å; R764-T825 PolarHBondContact O-N 2.76Å
826	M	95.7	Very high	89.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.3	-175.1	-66.6	-178.2	157.7	0	0	110.1	L606 I761 R762 F763 M775 M783 T813 F814 V816	L606-M826 HydrophobicContact CD1-CE 4.1Å; I761-M826 HydrophobicContact CG2-CB 4Å; I761-M826 HydrophobicContact CG2-CG 4.13Å; I761-M826 HydrophobicContact CG2-SD 4.46Å; R762-M826 CarbonylContact O-C 3.52Å; R762-M826 WeakPolarHBondContact O-CA 3.37Å; F763-M826 HydrophobicContact CB-CG 3.87Å; M775-M826 HydrophobicContact CE-CE 3.92Å; M775-M826 HydrophobicContact SD-CE 3.53Å; M775-M826 VanDerWaalsContact SD-CE 3.53Å; M775-M826 HydrophobicContact SD-SD 4.44Å; M783-M826 HydrophobicContact CE-CE 3.58Å; M783-M826 HydrophobicContact SD-CE 4.09Å; T813-M826 CarbonylContact C-O 3.5Å; T813-M826 WeakPolarHBondContact CA-O 3.3Å; T813-M826 WeakPolarHBondContact CB-O 3.45Å; F814-M826 HydrophobicContact CD1-CB 4.33Å; F814-M826 HydrophobicContact CD2-CB 3.94Å; F814-M826 HydrophobicContact CD2-SD 4.31Å; F814-M826 HydrophobicContact CE1-CB 3.98Å; F814-M826 HydrophobicContact CE2-CB 3.55Å; F814-M826 HydrophobicContact CE2-CG 4.11Å; F814-M826 HydrophobicContact CE2-SD 3.53Å; F814-M826 VanDerWaalsContact CE2-SD 3.53Å; F814-M826 HydrophobicContact CG-CB 4.31Å; F814-M826 HydrophobicContact CZ-CB 3.57Å; F814-M826 HydrophobicContact CZ-CG 4.44Å; F814-M826 HydrophobicContact CZ-SD 4.12Å; F814-M826 PolarHBondContact N-O 2.81Å; F814-M826 PolarHBondContact O-N 3.07Å; V816-M826 HydrophobicContact CG2-SD 4.39Å
827	T	95.5	Very high	89.9	Confident	48 Å²	48	55.3 Å²	55.3	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.1	178.9	-48.8	0	0	0	0	108.8	R762 T813	R762-T827 PolarHBondContact N-O 3.19Å; R762-T827 PolarHBondContact O-N 2.92Å; T813-T827 HydrophobicContact CG2-CG2 4.15Å
828	A	94.7	Very high	89.9	Confident	6 Å²	6	51.1 Å²	51.1	5%	0.05	28%	0.275	C	S	.	.			trans	-84.2	163.8	170.6	0	0	0	0	0	111.6	I761 F812 F814 T833 Q834	I761-A828 HydrophobicContact CD1-CB 4.21Å; F812-A828 HydrophobicContact CB-CB 4.42Å; F812-A828 WeakPolarHBondContact CB-O 3.35Å; F812-A828 PolarHBondContact O-N 2.78Å; F814-A828 HydrophobicContact CE1-CB 4.22Å; A828-T833 HydrophobicContact CB-CG2 3.92Å; A828-Q834 HydrophobicContact CB-CB 4.08Å
829	E	93	Very high	90.1	Very high	167 Å²	167	50 Å²	50	78%	0.78	27%	0.269	S	S	*	.	S	Bend	trans	-69.4	-41	175.4	-176.2	169	-168.6	0	0	112.4	F812	F812-E829 WeakPolarHBondContact CD2-O 3.46Å; F812-E829 VanDerWaalsContact CE2-O 3.23Å; F812-E829 WeakPolarHBondContact CE2-O 3.36Å
830	D	91	Very high	90.7	Very high	61 Å²	61	47.4 Å²	47.4	33%	0.326	24%	0.242	S	C	.	.	S	Bend	trans	-142.8	175.5	-179.5	68.6	21.6	0	0	0	113.6	F812 Q832 T833 Q834	F812-D830 HydrophobicContact CE2-CB 4.49Å; D830-Q832 PolarHBondContact OD1-N 2.86Å; D830-Q832 VanDerWaalsContact OD1-N 3.17Å; D830-T833 WeakPolarHBondContact OD1-CB 3.39Å; D830-T833 PolarHBondContact OD1-N 2.7Å; D830-T833 PolarHBondContact OD1-OG1 2.92Å; D830-Q834 WeakPolarHBondContact O-CB 3.32Å; D830-Q834 PolarHBondContact O-N 3Å
831	E	86.6	Confident	91.7	Very high	97 Å²	97	42.4 Å²	42.4	45%	0.453	20%	0.201	S	C	.	.	H	α-helix	trans	-66.2	-34.4	179.5	-162.1	175.6	-177.3	0	0	112.5	F190 F812 Q834 M835	F190-E831 HydrophobicContact CD2-CG 4.3Å; F190-E831 WeakPolarHBondContact CD2-OE1 3.26Å; F190-E831 HydrophobicContact CE2-CG 4Å; F812-E831 HydrophobicContact CD1-CB 4.18Å; F812-E831 HydrophobicContact CE1-CB 3.78Å; E831-Q834 PolarHBondContact O-N 2.86Å; E831-M835 HydrophobicContact CG-CE 4.26Å; E831-M835 WeakPolarHBondContact O-CB 3.1Å; E831-M835 WeakPolarHBondContact O-CG 3.42Å; E831-M835 PolarHBondContact O-N 2.89Å
832	Q	88.5	Confident	92.6	Very high	97 Å²	97	34.7 Å²	34.7	45%	0.453	17%	0.172	S	C	.	.	H	α-helix	trans	-69.1	-39.7	-179.5	-167.7	-178.5	10.7	0	0	111.2	D830 M835 K836	D830-Q832 PolarHBondContact OD1-N 2.86Å; D830-Q832 VanDerWaalsContact OD1-N 3.17Å; Q832-M835 PolarHBondContact O-N 2.84Å; Q832-K836 WeakPolarHBondContact O-CG 3.21Å; Q832-K836 PolarHBondContact O-N 3.03Å
833	T	92.2	Very high	92.9	Very high	25 Å²	25	33.2 Å²	33.2	15%	0.153	17%	0.166	C	C	.	.	H	α-helix	trans	-68.1	-44.5	174.1	-56.3	0	0	0	0	109.7	A828 D830 M835 K836 W837	A828-T833 HydrophobicContact CB-CG2 3.92Å; D830-T833 WeakPolarHBondContact OD1-CB 3.39Å; D830-T833 PolarHBondContact OD1-N 2.7Å; D830-T833 PolarHBondContact OD1-OG1 2.92Å; T833-M835 VanDerWaalsContact C-N 3.34Å; T833-M835 PolarHBondContact O-N 2.8Å; T833-K836 PolarHBondContact O-N 2.72Å; T833-W837 VanDerWaalsContact O-CD1 3.24Å; T833-W837 PolarHBondContact O-N 2.94Å
834	Q	92.9	Very high	93	Very high	11 Å²	11	29.8 Å²	29.8	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-55.4	-46	172.5	-168.3	-166.8	10.4	0	0	112.1	T813 F814 A828 D830 E831 W837 L838	T813-Q834 PolarHBondContact O-NE2 2.95Å; F814-Q834 HydrophobicContact CD1-CG 4.04Å; A828-Q834 HydrophobicContact CB-CB 4.08Å; D830-Q834 WeakPolarHBondContact O-CB 3.32Å; D830-Q834 PolarHBondContact O-N 3Å; E831-Q834 PolarHBondContact O-N 2.86Å; Q834-W837 PolarHBondContact O-N 2.99Å; Q834-L838 HydrophobicContact CG-CD1 3.99Å; Q834-L838 WeakPolarHBondContact O-CB 3.48Å; Q834-L838 WeakPolarHBondContact O-CD1 3.29Å; Q834-L838 WeakPolarHBondContact O-CG 3.49Å; Q834-L838 PolarHBondContact O-N 3.27Å
835	M	89.6	Confident	92.9	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.069	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-42.8	177.9	-75.1	-175.3	-67.4	0	0	112.6	F190 L193 E197 E831 Q832 T833 L838 A839	F190-M835 HydrophobicContact CD2-CG 4.06Å; F190-M835 HydrophobicContact CD2-SD 4.04Å; F190-M835 HydrophobicContact CE1-CG 4.22Å; F190-M835 HydrophobicContact CE2-CG 3.39Å; F190-M835 HydrophobicContact CE2-SD 3.98Å; F190-M835 HydrophobicContact CZ-CG 3.48Å; F190-M835 VanDerWaalsContact CZ-CG 3.48Å; F190-M835 HydrophobicContact CZ-SD 4.46Å; L193-M835 HydrophobicContact CB-CE 4.29Å; L193-M835 HydrophobicContact CB-SD 3.39Å; L193-M835 WeakPolarHBondContact CB-SD 3.5Å; L193-M835 HydrophobicContact CD1-CE 4.15Å; L193-M835 HydrophobicContact CD1-SD 3.99Å; L193-M835 HydrophobicContact CG-SD 4.34Å; E197-M835 HydrophobicContact CG-CB 4.38Å; E831-M835 HydrophobicContact CG-CE 4.26Å; E831-M835 WeakPolarHBondContact O-CB 3.1Å; E831-M835 WeakPolarHBondContact O-CG 3.42Å; E831-M835 PolarHBondContact O-N 2.89Å; Q832-M835 PolarHBondContact O-N 2.84Å; T833-M835 VanDerWaalsContact C-N 3.34Å; T833-M835 PolarHBondContact O-N 2.8Å; M835-L838 PolarHBondContact O-N 2.7Å; M835-A839 VanDerWaalsContact O-CB 3.27Å; M835-A839 WeakPolarHBondContact O-CB 3.44Å; M835-A839 PolarHBondContact O-N 2.8Å
836	K	93.9	Very high	92.7	Very high	52 Å²	52	28.8 Å²	28.8	23%	0.226	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-42.7	176.7	-73.6	169.4	-175.5	168.9	0	112.1	E197 Q832 T833 A839 I840	E197-K836 HydrophobicContact CG-CG 4.46Å; E197-K836 VanDerWaalsContact OE2-CE 3.26Å; E197-K836 WeakPolarHBondContact OE2-CE 3.34Å; E197-K836 WeakPolarHBondContact OE2-CG 3.05Å; Q832-K836 WeakPolarHBondContact O-CG 3.21Å; Q832-K836 PolarHBondContact O-N 3.03Å; T833-K836 PolarHBondContact O-N 2.72Å; K836-A839 PolarHBondContact O-N 3.29Å; K836-I840 WeakPolarHBondContact O-CG2 3.49Å; K836-I840 PolarHBondContact O-N 3.48Å
837	W	96.2	Very high	92.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-48.1	174.3	-84.7	103	0	0	0	112.3	H757 S759 I761 M775 V777 M783 F814 T833 Q834 A839 I840 L841	H757-W837 AromaticContact CD2-CD1 3.96Å; H757-W837 AromaticContact CD2-CD2 3.79Å; H757-W837 AromaticContact CD2-CE2 3.67Å; H757-W837 AromaticContact CD2-CG 3.98Å; H757-W837 AromaticContact CD2-NE1 3.77Å; H757-W837 AromaticContact NE2-CD1 3.58Å; H757-W837 AromaticContact NE2-CE2 3.9Å; H757-W837 AromaticContact NE2-NE1 3.5Å; H757-W837 PolarHBondContact NE2-NE1 2.82Å; S759-W837 PolarHBondContact OG-NE1 3.07Å; I761-W837 HydrophobicContact CD1-CG 4.48Å; I761-W837 HydrophobicContact CG1-CD2 4.48Å; I761-W837 HydrophobicContact CG1-CZ2 3.86Å; M775-W837 HydrophobicContact CB-CH2 3.52Å; M775-W837 HydrophobicContact CB-CZ2 3.87Å; M775-W837 HydrophobicContact CB-CZ3 4.49Å; V777-W837 HydrophobicContact CG2-CE3 4.33Å; V777-W837 HydrophobicContact CG2-CH2 4.14Å; V777-W837 HydrophobicContact CG2-CZ3 3.52Å; M783-W837 HydrophobicContact SD-CH2 4.39Å; M783-W837 HydrophobicContact SD-CZ3 3.77Å; F814-W837 HydrophobicContact CE1-CB 4Å; F814-W837 HydrophobicContact CE1-CG 4.42Å; F814-W837 HydrophobicContact CE2-CB 3.97Å; F814-W837 HydrophobicContact CE2-CG 4.46Å; F814-W837 HydrophobicContact CZ-CB 3.53Å; F814-W837 HydrophobicContact CZ-CD2 4.26Å; F814-W837 AromaticContact CZ-CG 3.78Å; F814-W837 HydrophobicContact CZ-CG 3.78Å; T833-W837 VanDerWaalsContact O-CD1 3.24Å; T833-W837 PolarHBondContact O-N 2.94Å; Q834-W837 PolarHBondContact O-N 2.99Å; W837-A839 VanDerWaalsContact C-N 3.3Å; W837-A839 PolarHBondContact O-N 2.88Å; W837-I840 HydrophobicContact CE3-CG2 4.44Å; W837-I840 PolarHBondContact O-N 3.4Å; W837-L841 HydrophobicContact CB-CD1 4.42Å; W837-L841 HydrophobicContact CE3-CD1 3.8Å; W837-L841 HydrophobicContact CE3-CD2 4.26Å; W837-L841 HydrophobicContact CE3-CG 3.96Å; W837-L841 HydrophobicContact CZ3-CD2 4.35Å; W837-L841 WeakPolarHBondContact O-CB 3.47Å; W837-L841 WeakPolarHBondContact O-CD1 3.39Å; W837-L841 WeakPolarHBondContact O-CG 3.41Å; W837-L841 PolarHBondContact O-N 2.91Å
838	L	93.9	Very high	91.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.5	-40.7	175.4	-75.7	163.7	0	0	0	112	F190 L194 L218 V805 M807 F814 Q834 M835 D842	F190-L838 HydrophobicContact CE1-CD1 4.04Å; F190-L838 HydrophobicContact CZ-CD1 3.75Å; L194-L838 HydrophobicContact CD1-CB 3.68Å; L218-L838 HydrophobicContact CD1-CB 4.33Å; L218-L838 HydrophobicContact CD1-CD2 4.19Å; V805-L838 HydrophobicContact CG1-CD2 4Å; M807-L838 HydrophobicContact CE-CD1 4.43Å; M807-L838 HydrophobicContact CG-CD1 3.7Å; M807-L838 HydrophobicContact CG-CD2 4.06Å; M807-L838 HydrophobicContact SD-CD1 4.34Å; F814-L838 HydrophobicContact CB-CD2 3.71Å; F814-L838 HydrophobicContact CB-CG 4.2Å; F814-L838 HydrophobicContact CG-CD2 4.35Å; F814-L838 HydrophobicContact CG-CG 4.48Å; Q834-L838 HydrophobicContact CG-CD1 3.99Å; Q834-L838 WeakPolarHBondContact O-CB 3.48Å; Q834-L838 WeakPolarHBondContact O-CD1 3.29Å; Q834-L838 WeakPolarHBondContact O-CG 3.49Å; Q834-L838 PolarHBondContact O-N 3.27Å; M835-L838 PolarHBondContact O-N 2.7Å; L838-D842 VanDerWaalsContact O-CB 3.27Å; L838-D842 WeakPolarHBondContact O-CB 3.42Å; L838-D842 PolarHBondContact O-N 2.88Å
839	A	92.9	Very high	90	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-54.5	177.7	0	0	0	0	0	112.2	L194 E197 K198 F201 M835 K836 W837 L843	L194-A839 HydrophobicContact CD1-CB 4.03Å; E197-A839 HydrophobicContact CB-CB 3.95Å; K198-A839 HydrophobicContact CB-CB 4.45Å; K198-A839 HydrophobicContact CG-CB 3.53Å; F201-A839 HydrophobicContact CD2-CB 3.93Å; F201-A839 HydrophobicContact CE2-CB 4.01Å; M835-A839 VanDerWaalsContact O-CB 3.27Å; M835-A839 WeakPolarHBondContact O-CB 3.44Å; M835-A839 PolarHBondContact O-N 2.8Å; K836-A839 PolarHBondContact O-N 3.29Å; W837-A839 VanDerWaalsContact C-N 3.3Å; W837-A839 PolarHBondContact O-N 2.88Å; A839-L843 WeakPolarHBondContact O-CB 3.39Å; A839-L843 VanDerWaalsContact O-CG 3.26Å; A839-L843 WeakPolarHBondContact O-CG 3.29Å; A839-L843 PolarHBondContact O-N 2.82Å
840	I	95.1	Very high	88.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.7	-34.9	-176.4	-166.3	55.3	0	0	0	112.5	F201 F209 L756 H757 V777 K836 W837 L843 A844	F201-I840 HydrophobicContact CD1-CD1 3.86Å; F201-I840 HydrophobicContact CD2-CB 4.31Å; F201-I840 HydrophobicContact CE1-CB 4.36Å; F201-I840 HydrophobicContact CE1-CD1 4.04Å; F201-I840 HydrophobicContact CE1-CG1 4.34Å; F201-I840 HydrophobicContact CE2-CB 3.89Å; F201-I840 HydrophobicContact CG-CD1 4.12Å; F201-I840 HydrophobicContact CZ-CB 3.91Å; F201-I840 HydrophobicContact CZ-CD1 4.44Å; F201-I840 HydrophobicContact CZ-CG1 4.38Å; F209-I840 HydrophobicContact CE2-CD1 4.41Å; F209-I840 HydrophobicContact CZ-CD1 3.85Å; L756-I840 HydrophobicContact CB-CD1 3.93Å; L756-I840 HydrophobicContact CB-CG1 4.2Å; L756-I840 HydrophobicContact CD1-CD1 4.01Å; H757-I840 HydrophobicContact CB-CB 4.32Å; H757-I840 HydrophobicContact CB-CG1 4.19Å; H757-I840 HydrophobicContact CB-CG2 3.9Å; V777-I840 HydrophobicContact CB-CG1 4.31Å; V777-I840 HydrophobicContact CG1-CG1 4.09Å; V777-I840 HydrophobicContact CG2-CG2 4.32Å; K836-I840 WeakPolarHBondContact O-CG2 3.49Å; K836-I840 PolarHBondContact O-N 3.48Å; W837-I840 HydrophobicContact CE3-CG2 4.44Å; W837-I840 PolarHBondContact O-N 3.4Å; I840-L843 PolarHBondContact O-N 3.46Å; I840-A844 VanDerWaalsContact O-CB 3.25Å; I840-A844 WeakPolarHBondContact O-CB 3.28Å; I840-A844 PolarHBondContact O-N 2.83Å
841	L	95.7	Very high	86.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.3	-43.4	178.2	-68.9	170.2	0	0	0	111.5	V777 M783 L800 V805 F814 V816 W837 L843 A844 A845	V777-L841 HydrophobicContact CG2-CD2 4.1Å; M783-L841 HydrophobicContact SD-CD2 4.02Å; L800-L841 HydrophobicContact CD1-CD2 3.76Å; L800-L841 HydrophobicContact CD2-CD2 3.78Å; L800-L841 HydrophobicContact CG-CD2 4.45Å; V805-L841 HydrophobicContact CG1-CB 4.01Å; V805-L841 HydrophobicContact CG2-CB 3.86Å; F814-L841 HydrophobicContact CD2-CD1 3.95Å; F814-L841 HydrophobicContact CE2-CD1 3.5Å; V816-L841 HydrophobicContact CG2-CD1 3.79Å; W837-L841 HydrophobicContact CB-CD1 4.42Å; W837-L841 HydrophobicContact CE3-CD1 3.8Å; W837-L841 HydrophobicContact CE3-CD2 4.26Å; W837-L841 HydrophobicContact CE3-CG 3.96Å; W837-L841 HydrophobicContact CZ3-CD2 4.35Å; W837-L841 WeakPolarHBondContact O-CB 3.47Å; W837-L841 WeakPolarHBondContact O-CD1 3.39Å; W837-L841 WeakPolarHBondContact O-CG 3.41Å; W837-L841 PolarHBondContact O-N 2.91Å; L841-L843 VanDerWaalsContact C-N 3.34Å; L841-A844 PolarHBondContact O-N 2.69Å; L841-A845 WeakPolarHBondContact O-CB 3.41Å; L841-A845 PolarHBondContact O-N 2.85Å
842	D	91.7	Very high	84	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.011	20%	0.195	C	C	.	.	H	α-helix	trans	-67	-35.4	175	179.1	79.6	0	0	0	111.4	K198 S216 L218 L838 N846	K198-D842 IonicContact NZ-OD2 2.68Å; K198-D842 PolarHBondContact NZ-OD2 2.81Å; S216-D842 WeakPolarHBondContact CB-OD2 3.43Å; S216-D842 VanDerWaalsContact OG-CG 3.31Å; S216-D842 PolarHBondContact OG-OD1 3.37Å; S216-D842 PolarHBondContact OG-OD2 3.41Å; L218-D842 HydrophobicContact CD1-CB 3.69Å; L218-D842 HydrophobicContact CG-CB 4.34Å; L838-D842 VanDerWaalsContact O-CB 3.27Å; L838-D842 WeakPolarHBondContact O-CB 3.42Å; L838-D842 PolarHBondContact O-N 2.88Å; D842-N846 WeakPolarHBondContact O-CB 3.45Å; D842-N846 PolarHBondContact O-N 2.66Å; D842-N846 PolarHBondContact O-ND2 2.71Å; D842-N846 PolarHBondContact OD1-ND2 2.79Å; D842-N846 VanDerWaalsContact OD1-ND2 3.16Å
843	L	92.6	Very high	81.2	Confident	4 Å²	4	46 Å²	46	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-49.8	172.6	-74.7	174.8	0	0	0	112.3	K198 F201 V202 F209 M212 A839 I840 L841 N846 A847	K198-L843 HydrophobicContact CB-CD1 4.26Å; K198-L843 HydrophobicContact CG-CD1 4.25Å; K198-L843 HydrophobicContact CG-CG 4.2Å; F201-L843 HydrophobicContact CB-CD1 3.44Å; F201-L843 VanDerWaalsContact CB-CD1 3.44Å; F201-L843 HydrophobicContact CD2-CD1 4.43Å; F201-L843 HydrophobicContact CG-CD1 4.27Å; V202-L843 HydrophobicContact CG2-CD1 4.2Å; V202-L843 HydrophobicContact CG2-CD2 3.92Å; F209-L843 HydrophobicContact CD1-CB 3.93Å; F209-L843 HydrophobicContact CD1-CD2 4.43Å; F209-L843 HydrophobicContact CD2-CD1 4.41Å; F209-L843 HydrophobicContact CE1-CB 3.61Å; F209-L843 HydrophobicContact CE2-CD1 4.3Å; F209-L843 HydrophobicContact CZ-CB 3.99Å; F209-L843 HydrophobicContact CZ-CD1 4.43Å; M212-L843 HydrophobicContact CE-CD2 3.76Å; A839-L843 WeakPolarHBondContact O-CB 3.39Å; A839-L843 VanDerWaalsContact O-CG 3.26Å; A839-L843 WeakPolarHBondContact O-CG 3.29Å; A839-L843 PolarHBondContact O-N 2.82Å; I840-L843 PolarHBondContact O-N 3.46Å; L841-L843 VanDerWaalsContact C-N 3.34Å; L843-N846 CarbonylContact O-C 3.58Å; L843-N846 PolarHBondContact O-N 2.79Å; L843-A847 PolarHBondContact O-N 2.72Å
844	A	92.8	Very high	78.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.7	-33.9	-179.4	0	0	0	0	0	113.3	V777 F781 L800 I840 L841 N846 A847	V777-A844 HydrophobicContact CG1-CB 4.36Å; F781-A844 HydrophobicContact CB-CB 4.4Å; F781-A844 HydrophobicContact CD1-CB 3.99Å; L800-A844 HydrophobicContact CB-CB 4.11Å; L800-A844 HydrophobicContact CD1-CB 3.57Å; I840-A844 VanDerWaalsContact O-CB 3.25Å; I840-A844 WeakPolarHBondContact O-CB 3.28Å; I840-A844 PolarHBondContact O-N 2.83Å; L841-A844 PolarHBondContact O-N 2.69Å; A844-N846 VanDerWaalsContact C-N 3.33Å; A844-A847 WeakPolarHBondContact O-CB 2.97Å; A844-A847 PolarHBondContact O-N 2.73Å
845	A	91.9	Very high	75	Confident	3 Å²	3	57.6 Å²	57.6	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-68.8	-31.7	175.8	0	0	0	0	0	112.9	L800 P801 G802 C803 V805 L841	L800-A845 WeakPolarHBondContact O-CA 3.46Å; P801-A845 WeakPolarHBondContact CA-O 3.47Å; G802-A845 PolarHBondContact N-O 3.15Å; C803-A845 HydrophobicContact CB-CB 4.38Å; C803-A845 WeakPolarHBondContact O-CB 3.43Å; V805-A845 HydrophobicContact CG2-CB 4.05Å; L841-A845 WeakPolarHBondContact O-CB 3.41Å; L841-A845 PolarHBondContact O-N 2.85Å
846	N	89.2	Confident	72	Confident	17 Å²	17	60.2 Å²	60.2	9%	0.091	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.3	174	-68.6	-69.6	0	0	0	113.3	M212 R213 T214 D842 L843 A844	M212-N846 CarbonylContact C-O 3.51Å; M212-N846 WeakPolarHBondContact CA-O 3.11Å; M212-N846 HydrophobicContact CE-CB 3.54Å; R213-N846 PolarHBondContact N-O 2.83Å; T214-N846 WeakPolarHBondContact CB-OD1 3.44Å; T214-N846 PolarHBondContact OG1-OD1 3.2Å; D842-N846 WeakPolarHBondContact O-CB 3.45Å; D842-N846 PolarHBondContact O-N 2.66Å; D842-N846 PolarHBondContact O-ND2 2.71Å; D842-N846 PolarHBondContact OD1-ND2 2.79Å; D842-N846 VanDerWaalsContact OD1-ND2 3.16Å; L843-N846 CarbonylContact O-C 3.58Å; L843-N846 PolarHBondContact O-N 2.79Å; A844-N846 VanDerWaalsContact C-N 3.33Å
847	A	83.6	Confident	68.9	Low	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-69.6	138.4	-174.5	0	0	0	0	0	113.5	R213 F781 L843 A844 L849	R213-A847 VanDerWaalsContact CD-O 3.24Å; R213-A847 WeakPolarHBondContact CD-O 3.47Å; R213-A847 WeakPolarHBondContact CG-O 3.49Å; F781-A847 HydrophobicContact CD1-CB 3.59Å; F781-A847 HydrophobicContact CD2-CB 4.15Å; F781-A847 HydrophobicContact CE1-CB 3.44Å; F781-A847 VanDerWaalsContact CE1-CB 3.44Å; F781-A847 HydrophobicContact CE2-CB 4.01Å; F781-A847 HydrophobicContact CG-CB 3.93Å; F781-A847 HydrophobicContact CZ-CB 3.66Å; L843-A847 PolarHBondContact O-N 2.72Å; A844-A847 WeakPolarHBondContact O-CB 2.97Å; A844-A847 PolarHBondContact O-N 2.73Å; A847-L849 PolarHBondContact O-N 2.9Å
848	H	77.8	Confident	65.6	Low	83 Å²	83	71.5 Å²	71.5	38%	0.384	38%	0.38	S	S	.	.			trans	-84.2	102.8	177.2	-175.2	-69.4	0	0	0	112.1	K211 R213 K850	K211-H848 HydrophobicContact CB-CB 3.94Å; K211-H848 WeakPolarHBondContact O-CB 3.27Å; K211-H848 PolarHBondContact O-N 2.53Å; R213-H848 HydrophobicContact CG-CB 4.24Å; H848-K850 PolarHBondContact O-N 3.29Å; H848-K850 VanDerWaalsContact O-N 3.08Å
849	L	69.5	Low	62.4	Low	77 Å²	77	80.3 Å²	80.3	40%	0.403	42%	0.421	S	S	.	.			trans	-51.8	113.8	170.4	-68.8	173.4	0	0	0	111.8	F781 P801 A847 N851	F781-L849 HydrophobicContact CD2-CD2 4.01Å; P801-L849 HydrophobicContact CB-CD1 4.21Å; P801-L849 HydrophobicContact CB-CG 4.32Å; P801-L849 HydrophobicContact CG-CD1 4.22Å; P801-L849 HydrophobicContact CG-CD2 4.11Å; P801-L849 HydrophobicContact CG-CG 4.05Å; A847-L849 PolarHBondContact O-N 2.9Å; L849-N851 PolarHBondContact O-N 2.88Å
850	K	60.3	Low	59.4	Low	124 Å²	124	86 Å²	86	54%	0.539	46%	0.461	S	S	.	.			trans	-71.8	95	177.6	-65.2	179.9	-173.7	176.9	0	109.6	E207 H848 Q852	E207-K850 PolarHBondContact O-NZ 3.14Å; H848-K850 PolarHBondContact O-N 3.29Å; H848-K850 VanDerWaalsContact O-N 3.08Å; K850-Q852 PolarHBondContact O-N 3Å
851	N	45.2	Very low	56.2	Low	139 Å²	139	98.9 Å²	98.9	74%	0.743	52%	0.521	S	S	*	.			trans	-54.7	106.4	177.5	-83.7	-16.6	0	0	0	111.4	L849 R853	L849-N851 PolarHBondContact O-N 2.88Å; N851-R853 PolarHBondContact O-N 3.26Å
852	Q	37.7	Very low	54.3	Low	197 Å²	197	103.8 Å²	103.8	92%	0.921	55%	0.547	S	S	*	.	S	Bend	trans	-74.7	27.9	176.6	-63.3	-170.1	-2	0	0	113.6	K850	K850-Q852 PolarHBondContact O-N 3Å
853	R	29.5	Very low	52.3	Low	217 Å²	217	109.2 Å²	109.2	82%	0.819	58%	0.575	S	S	*	*	S	Bend	trans	-147.4	87.2	177	-69.9	-172.7	176.7	-173	-3.1	109.4	N851	N851-R853 PolarHBondContact O-N 3.26Å
854	N	28.4	Very low	50	Low	145 Å²	145	115 Å²	115	78%	0.775	61%	0.606	S	S	*	*			trans	162.3	62	146	-83.6	3.3	0	0	0	111.7	G856	N854-G856 VanDerWaalsContact C-N 3.27Å; N854-G856 PolarHBondContact O-N 3.16Å
855	S	27.5	Very low	47.5	Very low	135 Å²	135	121.8 Å²	121.8	94%	0.944	64%	0.642	S	S	*	*			trans	-84.8	72.2	160.9	58.6	0	0	0	0	109
856	G	26.5	Very low	44.8	Very low	70 Å²	70	129.2 Å²	129.2	72%	0.722	68%	0.68	S	S	*	*	S	Bend	trans	-167.4	4.9	-166.8	0	0	0	0	0	119.3	N854	N854-G856 VanDerWaalsContact C-N 3.27Å; N854-G856 PolarHBondContact O-N 3.16Å
857	S	28.4	Very low	41.8	Very low	100 Å²	100	136.7 Å²	136.7	70%	0.699	72%	0.72	S	S	*	*			trans	-163.6	96	173.8	56.2	0	0	0	0	112.5
858	E	27.2	Very low	38.8	Very low	188 Å²	188	146.4 Å²	146.4	88%	0.879	77%	0.771	S	S	*	*			trans	-117.8	96.3	164	-75.1	-176.1	147.4	0	0	109
859	Q	27.6	Very low	35.8	Very low	185 Å²	185	151.3 Å²	151.3	86%	0.864	80%	0.801	S	S	*	*			trans	-176.7	133.1	162.9	-109.4	149.4	71.6	0	0	110.3
860	S	28.7	Very low	33	Very low	120 Å²	120	157.5 Å²	157.5	84%	0.839	83%	0.834	S	S	*	*			trans	54.9	130.4	-176.5	51.1	0	0	0	0	115.9
861	E	28.8	Very low	30.5	Very low	270 Å²	270	160.5 Å²	160.5	100%	1.262	86%	0.861	S	S	*	*			cis	-111.2	0	10.5	-65.1	178.3	122.6	0	0	113.7

Retrieved 861 of 861 residues in 592.4 ms (Link to these results)

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