A0A087X706_POEFO Loading...

Pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16

Probable ATP-binding RNA helicase. Involved in pre-mRNA splicing as component of the spliceosome.

AlphaFold DB , UniProt , Accession A0A087X706, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,263 aa.

						>A0A087X706_POEFO|A0A087X706
MDDDDVSMHRLEGTQSGAQVGGLIVKKKSAASEPHVFRAPTPRTSLLGLDLLAAQKRKEREIKEQEESNGNERNRKKSKVSSYKDWEESKSDSGSDEEDDDTSSATKKESRKYRVTGSETPSNPGGVSEEFRRRHEQREKDRREQGVFASSKEDKTRDRERSKDKGRERRSERDDRDGRHSRGNSSSRSERLERGERSERSQRDGWSERISRGSKRDEPATPQNRPRDGFTPSRSNWDEDDSGYGSSRHSQWESPSPALSHRESDRSERSHRSGRESERRDRSVRGRYTDDTPLPTPSYKYNEWANDRKHLGSTPRLSQGKGIILRGKKGEGGIDFDNEDEKEQWEEDQKQADRDWYMMDEGYDEFHNPFTSTSEEYVKKREQILQKQTQKRISAQKRQINEDNERWETNRMLTSGVVQRLEVDEDFEEDNAAKVHLLVHNLVPPFLDGRIVFTKQPEPIVPVKDPTSDMAIISRKGSQLVRKHREQKERKKAQHKHWELAGTKLGDIMGIKKKEDEEPGGKVVGEDGKVDYRADQKFAEHMKEKSEASSDFAKKKSILEQRQYLPIFAVRQQLLNIIRDNSIVIVVGETGSGKTTQLTQYLHEDGYTRYGMVGCTQPRRVAAMSVAKRVSEEIGTNLGEEVGYAIRFEDCTSEKTMIKYMTDGILLRESLRESDLDHYSAVIMDEAHERSLNTDVLFGLLREVVSRRTDLKLIVTSATMDSDKFAAFFGNVPIFHIPGRTFPVDILFSKTPQEDYVEAAVKQALQIHLSGMVGDILIFMPGQEDIEVTSDQIVERLEDLENAPPLAVLPIYSQLPSDLQAKIFQKRKAPDGVRKCIVATNIAETSLTVDGIMFVVDSGYCKLKVFNPRIGMDALQVYPISQANANQRAGRAGRTGPGQCYRQRLYTQSAYKNEMLTTTIPEIQRTNLANVVLLLKSLGVQDLLLFHFMDPPPEDNMLNSMYQLWILGALDNTGALTPTGRLMVEFPLDPALSKMLIVSCDMGCSADILIIVSMLSVPAIFYRPKGREEESDQVREKFSVPESDHLTYLNVYMQWKNNNYSSIWCNDHFIHTKAMRKVREVRSQLKDIMVQQKMNLMSCGSDWDIIRKCICAAYFHQAAKLKGIGEYVNVRTGMPCHLHPTSSLFGMGYTPDYIIYHELVMTTKEYMQCVTAVDGEWLAELGPMFYSIKHAGKSRQENRRRAKEELSNMEQEMVLAQEQLRARREEQEKKSNACSVRAVKICTPGRKEEAPMTPKRTPARFGL
					

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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	31.3	Very low	33	Very low	218 Å²	218	145.2 Å²	145.2	100%	1.074	75%	0.75	S	S	*	*				0	72.1	0	-63.1	178.8	-179.4	0	0	106
2	D	28.6	Very low	33	Very low	137 Å²	137	144.4 Å²	144.4	73%	0.733	74%	0.74	S	S	*	*			cis	85.3	133	46.8	-49.6	-20	0	0	0	109.3
3	D	31.8	Very low	32.8	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	74%	0.744	S	S	*	*			cis	-148.7	175.1	-12.9	-66.4	-43.3	0	0	0	105.9
4	D	33.1	Very low	32.7	Very low	141 Å²	141	139.6 Å²	139.6	75%	0.754	75%	0.754	S	S	*	*			cis	-147.4	174.2	0.2	-151.7	36.3	0	0	0	104.9
5	D	39	Very low	32.7	Very low	124 Å²	124	142.7 Å²	142.7	66%	0.663	76%	0.762	S	S	*	*			cis	67	151.4	29.1	-103.1	32.5	0	0	0	115
6	V	40.2	Very low	32.9	Very low	83 Å²	83	141.9 Å²	141.9	50%	0.503	77%	0.771	S	S	.	*			cis	-152.4	154.2	-19.6	94.5	0	0	0	0	111.7	M8	V6-M8 HydrophobicContact CB-CE 4.49Å; V6-M8 HydrophobicContact CG1-CE 4.47Å; V6-M8 HydrophobicContact CG2-CE 3.27Å
7	S	34	Very low	33.2	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	77%	0.772	S	S	*	*				170.8	171.1	97.2	55.2	0	0	0	0	113.6
8	M	37.7	Very low	33.1	Very low	89 Å²	89	136.4 Å²	136.4	44%	0.438	78%	0.779	S	S	.	*				-160.8	149.9	-88	-141	-165.3	-78.2	0	0	111.1	V6 R10	V6-M8 HydrophobicContact CB-CE 4.49Å; V6-M8 HydrophobicContact CG1-CE 4.47Å; V6-M8 HydrophobicContact CG2-CE 3.27Å; M8-R10 HydrophobicContact SD-CB 3.59Å; M8-R10 VanDerWaalsContact SD-CB 3.59Å; M8-R10 VanDerWaalsContact SD-CD 3.53Å; M8-R10 HydrophobicContact SD-CG 3.59Å; M8-R10 VanDerWaalsContact SD-CG 3.59Å
9	H	29.2	Very low	33.4	Very low	205 Å²	205	139.2 Å²	139.2	95%	0.949	79%	0.785	S	S	*	*			trans	-133.4	124.7	142.8	-89.1	-37	0	0	0	109.2
10	R	29	Very low	33.5	Very low	154 Å²	154	139.7 Å²	139.7	58%	0.581	79%	0.79	S	S	*	*			trans	-112.1	135.9	-161	-155.5	179.5	-170.4	155	-6.1	110.3	M8 E12	M8-R10 HydrophobicContact SD-CB 3.59Å; M8-R10 VanDerWaalsContact SD-CB 3.59Å; M8-R10 VanDerWaalsContact SD-CD 3.53Å; M8-R10 HydrophobicContact SD-CG 3.59Å; M8-R10 VanDerWaalsContact SD-CG 3.59Å; R10-E12 HydrophobicContact CG-CG 4.25Å; R10-E12 IonicContact CZ-OE1 2.69Å; R10-E12 IonicContact CZ-OE2 3.24Å; R10-E12 IonicContact NE-OE1 3.46Å; R10-E12 PolarHBondContact NE-OE1 2.67Å; R10-E12 IonicContact NE-OE2 2.84Å; R10-E12 PolarHBondContact NE-OE2 3.27Å; R10-E12 IonicContact NH2-OE1 3.49Å; R10-E12 PolarHBondContact NH2-OE1 3.04Å; R10-E12 IonicContact NH2-OE2 2.88Å; R10-E12 PolarHBondContact NH2-OE2 3.18Å
11	L	29.6	Very low	33.4	Very low	182 Å²	182	136.4 Å²	136.4	95%	0.953	79%	0.788	S	S	*	*			trans	-136	90.1	164	-78.7	176.8	0	0	0	108.7
12	E	32.4	Very low	33.4	Very low	136 Å²	136	129.6 Å²	129.6	64%	0.636	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-93.9	136.4	172	-79.5	170.6	-176.4	0	0	110.4	R10	R10-E12 HydrophobicContact CG-CG 4.25Å; R10-E12 IonicContact CZ-OE1 2.69Å; R10-E12 IonicContact CZ-OE2 3.24Å; R10-E12 IonicContact NE-OE1 3.46Å; R10-E12 PolarHBondContact NE-OE1 2.67Å; R10-E12 IonicContact NE-OE2 2.84Å; R10-E12 PolarHBondContact NE-OE2 3.27Å; R10-E12 IonicContact NH2-OE1 3.49Å; R10-E12 PolarHBondContact NH2-OE1 3.04Å; R10-E12 IonicContact NH2-OE2 2.88Å; R10-E12 PolarHBondContact NH2-OE2 3.18Å
13	G	31.3	Very low	33.4	Very low	77 Å²	77	131.5 Å²	131.5	79%	0.794	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-91.1	118.8	166.9	0	0	0	0	0	110
14	T	31.5	Very low	33.2	Very low	144 Å²	144	131.2 Å²	131.2	88%	0.883	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-74.8	132.5	171.3	39.6	0	0	0	0	111
15	Q	32.3	Very low	33.1	Very low	187 Å²	187	130.7 Å²	130.7	87%	0.874	78%	0.781	S	S	*	*			trans	-125.3	110.6	162.4	-73.1	-165.8	12	0	0	109.8
16	S	36.4	Very low	32.6	Very low	129 Å²	129	134 Å²	134	90%	0.902	79%	0.79	S	S	*	*	S	Bend	trans	179.7	115.1	146.9	-84.4	0	0	0	0	110.3
17	G	36.8	Very low	32.5	Very low	77 Å²	77	139.7 Å²	139.7	79%	0.794	81%	0.808	S	S	*	*	S	Bend	trans	97.4	125.7	171.4	0	0	0	0	0	115.5
18	A	31.3	Very low	32.4	Very low	108 Å²	108	144.4 Å²	144.4	89%	0.893	81%	0.814	S	S	*	*			trans	60.5	128.4	172.7	0	0	0	0	0	118.2
19	Q	38.9	Very low	32.1	Very low	190 Å²	190	145.4 Å²	145.4	89%	0.888	83%	0.83	S	S	*	*			trans	-81.5	148.8	164.7	-66.2	174.2	-54.8	0	0	110.8
20	V	36.4	Very low	32.5	Very low	148 Å²	148	140.6 Å²	140.6	90%	0.897	83%	0.825	S	S	*	*				146.7	135.5	128	164.7	0	0	0	0	110.1
21	G	30.3	Very low	32.6	Very low	71 Å²	71	138.6 Å²	138.6	73%	0.732	84%	0.842	S	S	*	*			trans	132.7	2.3	142.3	0	0	0	0	0	122.3
22	G	31.4	Very low	33.1	Very low	75 Å²	75	135.5 Å²	135.5	77%	0.773	84%	0.836	S	S	*	*			trans	64.5	178.9	163.6	0	0	0	0	0	118.5
23	L	28.5	Very low	33.2	Very low	177 Å²	177	138.3 Å²	138.3	93%	0.927	85%	0.849	S	S	*	*			trans	-149.4	155.6	170	-146.2	98.1	0	0	0	111.7
24	I	29.1	Very low	33.9	Very low	144 Å²	144	140 Å²	140	74%	0.738	85%	0.846	S	S	*	*			trans	-106.1	130.9	-162.9	-65.9	162.8	0	0	0	111.9
25	V	29.1	Very low	34.2	Very low	131 Å²	131	142.7 Å²	142.7	79%	0.794	85%	0.848	S	S	*	*			trans	-75.7	128.7	170.3	178.9	0	0	0	0	110.5
26	K	29.2	Very low	34.3	Very low	194 Å²	194	140 Å²	140	84%	0.843	84%	0.844	S	S	*	*			trans	-123.2	112.8	165.3	-77.6	-175.1	175.8	176.5	0	110.7
27	K	39	Very low	34.3	Very low	201 Å²	201	143.5 Å²	143.5	87%	0.874	84%	0.843	S	S	*	*			trans	-73.1	154.1	165.3	-69.3	-179	175.3	-179.5	0	110.3
28	K	31.4	Very low	34.6	Very low	213 Å²	213	150.8 Å²	150.8	93%	0.926	85%	0.847	S	S	*	*			trans	-150.7	163.9	148.1	-118.6	-176.5	-179.9	-170.6	0	110.5
29	S	32	Very low	35	Very low	110 Å²	110	150.3 Å²	150.3	77%	0.769	84%	0.843	S	S	*	*			trans	-140.2	146.1	-166.5	47.1	0	0	0	0	112.6
30	A	35.9	Very low	35.3	Very low	104 Å²	104	147.1 Å²	147.1	86%	0.86	84%	0.838	S	S	*	*			trans	35.7	115.7	155.3	0	0	0	0	0	120.7
31	A	32.8	Very low	35.9	Very low	113 Å²	113	146.3 Å²	146.3	93%	0.934	83%	0.834	S	S	*	*			trans	-162.4	159.6	133.8	0	0	0	0	0	110.4
32	S	39.4	Very low	36.8	Very low	117 Å²	117	149.1 Å²	149.1	82%	0.818	84%	0.839	S	S	*	*			trans	-97.6	151.3	-166.3	54	0	0	0	0	115.9
33	E	35	Very low	37.8	Very low	195 Å²	195	157.2 Å²	157.2	91%	0.911	85%	0.847	S	S	*	*			trans	-149.9	155.6	140.7	-112.5	179.1	-156.4	0	0	110.7
34	P	44.4	Very low	39	Very low	113 Å²	113	155.2 Å²	155.2	73%	0.734	84%	0.842	S	S	*	*			trans	-105.9	145.4	-160.3	38.2	-33.3	0	0	0	116
35	H	37.8	Very low	40.3	Very low	200 Å²	200	150.8 Å²	150.8	93%	0.926	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-102.7	130.7	166.7	-104	-72.4	0	0	0	111.9
36	V	36.1	Very low	41.5	Very low	131 Å²	131	153.2 Å²	153.2	79%	0.794	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-98.2	126	178.1	-178.4	0	0	0	0	110.7
37	F	34.6	Very low	42.9	Very low	201 Å²	201	151 Å²	151	88%	0.882	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-93.4	133.6	174.4	-121.6	-91.2	0	0	0	111.3
38	R	43.4	Very low	44	Very low	231 Å²	231	143 Å²	143	87%	0.872	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-95.9	132.2	164.8	-77.4	-175.2	172.8	-177.2	-1.8	109.3
39	A	40.4	Very low	45.4	Very low	97 Å²	97	138 Å²	138	80%	0.802	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-75.5	141	172.6	0	0	0	0	0	111
40	P	44.3	Very low	46.7	Very low	123 Å²	123	136.7 Å²	136.7	80%	0.799	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-76.4	151.6	176.4	31.6	-34.8	0	0	0	112.2
41	T	48.8	Very low	48.1	Very low	132 Å²	132	138.1 Å²	138.1	81%	0.81	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-72.4	134.6	177.8	49.3	0	0	0	0	112
42	P	49.4	Very low	49.5	Very low	129 Å²	129	137.1 Å²	137.1	84%	0.838	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-71.3	148.3	-177.8	29.5	-35.3	0	0	0	112.9
43	R	52.8	Low	50.4	Low	246 Å²	246	133.3 Å²	133.3	93%	0.928	72%	0.716	S	S	*	*			trans	-104	142.6	166.4	-73.4	-177.7	170	-173.9	-3.5	109.6
44	T	53.6	Low	52	Low	135 Å²	135	126.3 Å²	126.3	83%	0.828	69%	0.691	S	S	*	*			trans	-74.7	133.9	178.2	49.6	0	0	0	0	112.2
45	S	56.7	Low	53	Low	51 Å²	51	126.9 Å²	126.9	36%	0.357	68%	0.684	S	S	.	*			trans	-76.5	139.2	178.9	61.9	0	0	0	0	113.3	L47 D50	S45-L47 PolarHBondContact O-N 2.73Å; S45-D50 WeakPolarHBondContact CB-OD2 3.26Å; S45-D50 PolarHBondContact N-OD2 2.87Å; S45-D50 VanDerWaalsContact OG-CG 3.28Å; S45-D50 PolarHBondContact OG-N 3.44Å; S45-D50 PolarHBondContact OG-OD2 3.4Å
46	L	54.6	Low	54.4	Low	181 Å²	181	123.6 Å²	123.6	95%	0.948	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-6.7	-174.9	-125.5	151	0	0	0	114.1
47	L	59.1	Low	55.6	Low	149 Å²	149	125.6 Å²	125.6	78%	0.78	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	11.5	-176.4	-66.6	171.6	0	0	0	113.4	S45 L49	S45-L47 PolarHBondContact O-N 2.73Å; L47-L49 HydrophobicContact CB-CD1 4.27Å; L47-L49 HydrophobicContact CB-CG 4.3Å; L47-L49 PolarHBondContact O-N 2.79Å
48	G	60.4	Low	57.1	Low	33 Å²	33	122.7 Å²	122.7	34%	0.34	65%	0.648	S	S	.	*	S	Bend	trans	68.4	3.9	178.1	0	0	0	0	0	115.3	D50 L51 L52	G48-D50 PolarHBondContact O-N 3.36Å; G48-L51 WeakPolarHBondContact O-CB 3.42Å; G48-L51 PolarHBondContact O-N 3.01Å; G48-L52 PolarHBondContact O-N 3.34Å
49	L	62.3	Low	58.1	Low	108 Å²	108	117.1 Å²	117.1	57%	0.565	63%	0.631	S	S	*	*	H	α-helix	trans	-62.1	-30.2	-178.2	-70.3	168.8	0	0	0	112.5	L47 L51 L52 A53	L47-L49 HydrophobicContact CB-CD1 4.27Å; L47-L49 HydrophobicContact CB-CG 4.3Å; L47-L49 PolarHBondContact O-N 2.79Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L49-L52 PolarHBondContact O-N 2.88Å; L49-A53 VanDerWaalsContact O-CB 3.28Å; L49-A53 WeakPolarHBondContact O-CB 3.48Å; L49-A53 PolarHBondContact O-N 2.97Å
50	D	59.8	Low	59.1	Low	81 Å²	81	120.8 Å²	120.8	43%	0.433	63%	0.625	S	S	.	*	H	α-helix	trans	-67.3	-32.3	172.9	-65.9	-53.3	0	0	0	113.1	S45 G48 A54	S45-D50 WeakPolarHBondContact CB-OD2 3.26Å; S45-D50 PolarHBondContact N-OD2 2.87Å; S45-D50 VanDerWaalsContact OG-CG 3.28Å; S45-D50 PolarHBondContact OG-N 3.44Å; S45-D50 PolarHBondContact OG-OD2 3.4Å; G48-D50 PolarHBondContact O-N 3.36Å; D50-A54 WeakPolarHBondContact O-CB 3.49Å; D50-A54 PolarHBondContact O-N 2.9Å
51	L	63.8	Low	59.6	Low	135 Å²	135	120 Å²	120	71%	0.707	61%	0.61	S	S	*	*	H	α-helix	trans	-68.7	-42.6	173.5	-81.8	162.2	0	0	0	110.5	G48 L49 A54 Q55	G48-L51 WeakPolarHBondContact O-CB 3.42Å; G48-L51 PolarHBondContact O-N 3.01Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L51-A54 PolarHBondContact O-N 3.39Å; L51-Q55 VanDerWaalsContact O-CB 3.28Å; L51-Q55 WeakPolarHBondContact O-CB 3.5Å; L51-Q55 PolarHBondContact O-N 2.83Å
52	L	61.9	Low	60.3	Low	91 Å²	91	117.9 Å²	117.9	48%	0.476	59%	0.593	S	S	.	*	H	α-helix	trans	-68.2	-37	177.7	-150.2	162.6	0	0	0	111.2	G48 L49 Q55 K56	G48-L52 PolarHBondContact O-N 3.34Å; L49-L52 PolarHBondContact O-N 2.88Å; L52-Q55 PolarHBondContact O-N 3.46Å; L52-K56 HydrophobicContact CD2-CD 4.15Å; L52-K56 HydrophobicContact CD2-CG 4.4Å; L52-K56 PolarHBondContact O-N 2.81Å
53	A	59.9	Low	60.8	Low	38 Å²	38	118 Å²	118	31%	0.314	58%	0.58	S	S	.	*	H	α-helix	trans	-68.2	-38.7	171.9	0	0	0	0	0	112.6	L49 R57	L49-A53 VanDerWaalsContact O-CB 3.28Å; L49-A53 WeakPolarHBondContact O-CB 3.48Å; L49-A53 PolarHBondContact O-N 2.97Å; A53-R57 WeakPolarHBondContact O-CB 3.43Å; A53-R57 WeakPolarHBondContact O-CG 3.4Å; A53-R57 PolarHBondContact O-N 3.33Å
54	A	67.1	Low	60.7	Low	47 Å²	47	111.4 Å²	111.4	39%	0.388	56%	0.56	S	S	.	*	H	α-helix	trans	-68.5	-35	173.5	0	0	0	0	0	112	D50 L51 R57 K58	D50-A54 WeakPolarHBondContact O-CB 3.49Å; D50-A54 PolarHBondContact O-N 2.9Å; L51-A54 PolarHBondContact O-N 3.39Å; A54-R57 PolarHBondContact O-N 3.17Å; A54-K58 PolarHBondContact O-N 3.27Å
55	Q	66	Low	60.2	Low	125 Å²	125	110.8 Å²	110.8	58%	0.584	55%	0.548	S	S	*	.	H	α-helix	trans	-66.3	-46	174	-169.3	169.4	6.1	0	0	110.7	L51 L52 R57 K58 E59	L51-Q55 VanDerWaalsContact O-CB 3.28Å; L51-Q55 WeakPolarHBondContact O-CB 3.5Å; L51-Q55 PolarHBondContact O-N 2.83Å; L52-Q55 PolarHBondContact O-N 3.46Å; Q55-R57 VanDerWaalsContact C-N 3.3Å; Q55-R57 PolarHBondContact O-N 2.79Å; Q55-K58 CarbonylContact O-C 3.57Å; Q55-K58 WeakPolarHBondContact O-CB 3.32Å; Q55-K58 PolarHBondContact O-N 2.89Å; Q55-K58 VanDerWaalsContact O-N 3.12Å; Q55-E59 WeakPolarHBondContact O-CG 3.27Å; Q55-E59 PolarHBondContact O-N 3Å
56	K	68.5	Low	59.6	Low	131 Å²	131	114.2 Å²	114.2	57%	0.57	56%	0.558	S	S	*	*	H	α-helix	trans	-66.2	-27.1	172.2	-77.6	-172.7	170.8	-174.2	0	114.2	L52 E59 R60	L52-K56 HydrophobicContact CD2-CD 4.15Å; L52-K56 HydrophobicContact CD2-CG 4.4Å; L52-K56 PolarHBondContact O-N 2.81Å; K56-E59 WeakPolarHBondContact CG-OE2 3.48Å; K56-R60 PolarHBondContact O-N 3.5Å; K56-R60 VanDerWaalsContact O-N 3.09Å
57	R	60.2	Low	59.1	Low	174 Å²	174	112.3 Å²	112.3	66%	0.657	55%	0.545	S	S	*	.	H	α-helix	trans	-71.2	-41	168.3	-76.7	179	-165	164.4	7.9	111.5	A53 A54 Q55 R60 E61	A53-R57 WeakPolarHBondContact O-CB 3.43Å; A53-R57 WeakPolarHBondContact O-CG 3.4Å; A53-R57 PolarHBondContact O-N 3.33Å; A54-R57 PolarHBondContact O-N 3.17Å; Q55-R57 VanDerWaalsContact C-N 3.3Å; Q55-R57 PolarHBondContact O-N 2.79Å; R57-R60 CarbonylContact O-C 2.7Å; R57-R60 WeakPolarHBondContact O-CA 3.48Å; R57-R60 WeakPolarHBondContact O-CB 3.13Å; R57-R60 PolarHBondContact O-N 3.44Å; R57-R60 VanDerWaalsContact O-N 3.16Å; R57-E61 WeakPolarHBondContact O-CG 3.29Å; R57-E61 PolarHBondContact O-N 3.07Å
58	K	65.6	Low	58.2	Low	139 Å²	139	109 Å²	109	60%	0.604	53%	0.534	S	S	*	.	H	α-helix	trans	-63.9	-41	172.4	-81	-170.3	170.2	-170.6	0	112.7	A54 Q55 R60 E61 I62	A54-K58 PolarHBondContact O-N 3.27Å; Q55-K58 CarbonylContact O-C 3.57Å; Q55-K58 WeakPolarHBondContact O-CB 3.32Å; Q55-K58 PolarHBondContact O-N 2.89Å; Q55-K58 VanDerWaalsContact O-N 3.12Å; K58-R60 VanDerWaalsContact C-N 3.27Å; K58-R60 PolarHBondContact O-N 2.8Å; K58-E61 PolarHBondContact O-N 3.29Å; K58-I62 WeakPolarHBondContact O-CB 3.38Å; K58-I62 WeakPolarHBondContact O-CD1 3.32Å; K58-I62 WeakPolarHBondContact O-CG1 3.41Å; K58-I62 PolarHBondContact O-N 3.3Å
59	E	64.3	Low	57.1	Low	114 Å²	114	114.4 Å²	114.4	53%	0.533	56%	0.555	S	S	.	*	H	α-helix	trans	-58.4	-40.6	171.2	-71.6	176.9	142.3	0	0	111.1	Q55 K56 K63	Q55-E59 WeakPolarHBondContact O-CG 3.27Å; Q55-E59 PolarHBondContact O-N 3Å; K56-E59 WeakPolarHBondContact CG-OE2 3.48Å; E59-K63 VanDerWaalsContact O-CB 3.24Å; E59-K63 WeakPolarHBondContact O-CB 3.47Å; E59-K63 PolarHBondContact O-N 3.34Å
60	R	61.2	Low	56	Low	174 Å²	174	112.2 Å²	112.2	66%	0.657	56%	0.558	S	S	*	*	H	α-helix	trans	-68	-42.8	172	-91.3	-164.1	177.7	-160.7	0.2	113.8	K56 R57 K58 I62 K63 E64	K56-R60 PolarHBondContact O-N 3.5Å; K56-R60 VanDerWaalsContact O-N 3.09Å; R57-R60 CarbonylContact O-C 2.7Å; R57-R60 WeakPolarHBondContact O-CA 3.48Å; R57-R60 WeakPolarHBondContact O-CB 3.13Å; R57-R60 PolarHBondContact O-N 3.44Å; R57-R60 VanDerWaalsContact O-N 3.16Å; K58-R60 VanDerWaalsContact C-N 3.27Å; K58-R60 PolarHBondContact O-N 2.8Å; R60-I62 VanDerWaalsContact C-N 3.33Å; R60-K63 CarbonylContact O-C 3.51Å; R60-K63 PolarHBondContact O-N 3.23Å; R60-E64 VanDerWaalsContact O-CB 3.22Å; R60-E64 WeakPolarHBondContact O-CB 3.39Å; R60-E64 VanDerWaalsContact O-CG 3.25Å; R60-E64 WeakPolarHBondContact O-CG 3.41Å; R60-E64 PolarHBondContact O-N 2.9Å
61	E	56.4	Low	54.7	Low	107 Å²	107	112.6 Å²	112.6	50%	0.5	56%	0.56	S	S	.	*	H	α-helix	trans	-67.5	-35.3	179.8	-74.5	173.3	151	0	0	111.4	R57 K58 Q65	R57-E61 WeakPolarHBondContact O-CG 3.29Å; R57-E61 PolarHBondContact O-N 3.07Å; K58-E61 PolarHBondContact O-N 3.29Å; E61-Q65 VanDerWaalsContact O-CB 3.24Å; E61-Q65 WeakPolarHBondContact O-CB 3.46Å; E61-Q65 WeakPolarHBondContact O-CG 3.2Å; E61-Q65 PolarHBondContact O-N 2.97Å
62	I	62.7	Low	53.2	Low	88 Å²	88	115.4 Å²	115.4	45%	0.451	57%	0.57	S	S	.	*	H	α-helix	trans	-63.4	-50.1	169.9	-70.3	164.3	0	0	0	109.3	K58 R60 E64 Q65 E66	K58-I62 WeakPolarHBondContact O-CB 3.38Å; K58-I62 WeakPolarHBondContact O-CD1 3.32Å; K58-I62 WeakPolarHBondContact O-CG1 3.41Å; K58-I62 PolarHBondContact O-N 3.3Å; R60-I62 VanDerWaalsContact C-N 3.33Å; I62-E64 PolarHBondContact O-N 3.25Å; I62-Q65 CarbonylContact O-C 3.55Å; I62-Q65 WeakPolarHBondContact O-CB 3.41Å; I62-Q65 PolarHBondContact O-N 3.49Å; I62-Q65 VanDerWaalsContact O-N 3.1Å; I62-E66 WeakPolarHBondContact CG2-OE1 3.19Å; I62-E66 WeakPolarHBondContact O-CG 3.38Å; I62-E66 PolarHBondContact O-N 2.88Å
63	K	59.8	Low	51.8	Low	130 Å²	130	122.1 Å²	122.1	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-66.7	-33.9	-179.6	-161	161	-165.5	157.9	0	113.9	E59 R60 E67	E59-K63 VanDerWaalsContact O-CB 3.24Å; E59-K63 WeakPolarHBondContact O-CB 3.47Å; E59-K63 PolarHBondContact O-N 3.34Å; R60-K63 CarbonylContact O-C 3.51Å; R60-K63 PolarHBondContact O-N 3.23Å; K63-E67 WeakPolarHBondContact O-CB 3.41Å; K63-E67 WeakPolarHBondContact O-CG 3.37Å; K63-E67 PolarHBondContact O-N 3.11Å
64	E	50.3	Low	50.4	Low	109 Å²	109	127.5 Å²	127.5	51%	0.509	61%	0.612	S	S	.	*	H	α-helix	trans	-74.5	-29	173.2	-73	171.5	-162.2	0	0	110.9	R60 I62 S68	R60-E64 VanDerWaalsContact O-CB 3.22Å; R60-E64 WeakPolarHBondContact O-CB 3.39Å; R60-E64 VanDerWaalsContact O-CG 3.25Å; R60-E64 WeakPolarHBondContact O-CG 3.41Å; R60-E64 PolarHBondContact O-N 2.9Å; I62-E64 PolarHBondContact O-N 3.25Å; E64-S68 WeakPolarHBondContact O-CB 3.44Å; E64-S68 PolarHBondContact O-N 3.45Å; E64-S68 PolarHBondContact O-OG 3.4Å
65	Q	43.2	Very low	48.5	Very low	122 Å²	122	136 Å²	136	57%	0.57	63%	0.634	S	S	*	*	H	α-helix	trans	-72.3	-41.8	170.3	-78.7	171.6	26.5	0	0	112.1	E61 I62 S68 N69	E61-Q65 VanDerWaalsContact O-CB 3.24Å; E61-Q65 WeakPolarHBondContact O-CB 3.46Å; E61-Q65 WeakPolarHBondContact O-CG 3.2Å; E61-Q65 PolarHBondContact O-N 2.97Å; I62-Q65 CarbonylContact O-C 3.55Å; I62-Q65 WeakPolarHBondContact O-CB 3.41Å; I62-Q65 PolarHBondContact O-N 3.49Å; I62-Q65 VanDerWaalsContact O-N 3.1Å; Q65-S68 WeakPolarHBondContact CA-OG 3.35Å; Q65-S68 PolarHBondContact O-N 3.02Å; Q65-S68 PolarHBondContact O-OG 2.76Å; Q65-N69 PolarHBondContact O-N 3.48Å
66	E	45.3	Very low	46.8	Very low	123 Å²	123	139.6 Å²	139.6	58%	0.575	65%	0.648	S	S	*	*	H	α-helix	trans	-58	-51	170.2	-71.1	163.9	174.9	0	0	110.8	I62 S68 N69 G70	I62-E66 WeakPolarHBondContact CG2-OE1 3.19Å; I62-E66 WeakPolarHBondContact O-CG 3.38Å; I62-E66 PolarHBondContact O-N 2.88Å; E66-S68 VanDerWaalsContact C-N 3.27Å; E66-S68 PolarHBondContact O-N 3.01Å; E66-N69 PolarHBondContact O-N 2.75Å; E66-G70 PolarHBondContact O-N 2.58Å; E66-G70 VanDerWaalsContact O-N 3.16Å
67	E	44.3	Very low	44.9	Very low	141 Å²	141	143.5 Å²	143.5	66%	0.659	67%	0.665	S	S	*	*	H	α-helix	trans	-62.4	-29.6	174.2	-76	-174.3	-162.7	0	0	113	K63	K63-E67 WeakPolarHBondContact O-CB 3.41Å; K63-E67 WeakPolarHBondContact O-CG 3.37Å; K63-E67 PolarHBondContact O-N 3.11Å
68	S	39.6	Very low	43.4	Very low	78 Å²	78	140.7 Å²	140.7	55%	0.545	67%	0.672	S	S	.	*	H	α-helix	trans	-75.2	-41.1	178.6	78	0	0	0	0	113.8	E64 Q65 E66 G70	E64-S68 WeakPolarHBondContact O-CB 3.44Å; E64-S68 PolarHBondContact O-N 3.45Å; E64-S68 PolarHBondContact O-OG 3.4Å; Q65-S68 WeakPolarHBondContact CA-OG 3.35Å; Q65-S68 PolarHBondContact O-N 3.02Å; Q65-S68 PolarHBondContact O-OG 2.76Å; E66-S68 VanDerWaalsContact C-N 3.27Å; E66-S68 PolarHBondContact O-N 3.01Å; S68-G70 VanDerWaalsContact C-N 3.31Å
69	N	36.3	Very low	41.6	Very low	148 Å²	148	144 Å²	144	79%	0.791	69%	0.686	S	S	*	*	H	α-helix	trans	-73.7	-25.8	178	-80.2	-36.4	0	0	0	112	Q65 E66 N71	Q65-N69 PolarHBondContact O-N 3.48Å; E66-N69 PolarHBondContact O-N 2.75Å; N69-N71 VanDerWaalsContact C-N 3.34Å; N69-N71 PolarHBondContact O-N 2.77Å
70	G	39.6	Very low	39.8	Very low	61 Å²	61	145.9 Å²	145.9	63%	0.629	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-5.4	-177.2	0	0	0	0	0	116.8	E66 S68	E66-G70 PolarHBondContact O-N 2.58Å; E66-G70 VanDerWaalsContact O-N 3.16Å; S68-G70 VanDerWaalsContact C-N 3.31Å
71	N	32.8	Very low	38	Very low	90 Å²	90	143.1 Å²	143.1	48%	0.481	71%	0.713	S	S	.	*			trans	-151.2	63.6	-163.8	-133.2	-50.2	0	0	0	120	N69	N69-N71 VanDerWaalsContact C-N 3.34Å; N69-N71 PolarHBondContact O-N 2.77Å
72	E	31.5	Very low	36.5	Very low	193 Å²	193	142.4 Å²	142.4	90%	0.902	72%	0.719	S	S	*	*	S	Bend	trans	-105.8	2.8	158	-140.4	-165.4	-155.3	0	0	114.7
73	R	34.1	Very low	34.8	Very low	233 Å²	233	148.5 Å²	148.5	88%	0.879	74%	0.738	S	S	*	*	S	Bend	trans	-137.6	38.6	-179.1	-77.7	-161.3	177.6	177.3	3.6	117.8
74	N	29	Very low	33.1	Very low	150 Å²	150	150.1 Å²	150.1	80%	0.802	75%	0.745	S	S	*	*			trans	-159.9	95.1	145.9	-104.2	-25.1	0	0	0	114.4
75	R	28	Very low	32.1	Very low	227 Å²	227	150.5 Å²	150.5	86%	0.857	75%	0.75	S	S	*	*			trans	-133.9	82.5	171	-81.6	-170.3	172.3	-170.5	0.5	113.4
76	K	29.8	Very low	31.3	Very low	200 Å²	200	156.8 Å²	156.8	87%	0.87	77%	0.769	S	S	*	*			trans	-144.2	97	155.6	-77.7	-161.1	177.1	177.2	0	113
77	K	29.3	Very low	30.3	Very low	213 Å²	213	160 Å²	160	93%	0.926	78%	0.784	S	S	*	*	S	Bend	trans	72	141.8	170.8	-50.2	-180	-179.2	-175.8	0	113.9
78	S	27.5	Very low	29.4	Very low	114 Å²	114	162 Å²	162	80%	0.797	79%	0.793	S	S	*	*			cis	-142.6	137.7	3.9	49.7	0	0	0	0	112.8
79	K	28.9	Very low	28.7	Very low	209 Å²	209	163.1 Å²	163.1	91%	0.909	80%	0.802	S	S	*	*			trans	-126	133.7	163	-91.9	-172.7	173	-177.8	0	108.9
80	V	25.6	Very low	28.2	Very low	153 Å²	153	165.5 Å²	165.5	93%	0.927	81%	0.805	S	S	*	*			trans	-142.9	104.5	162.4	-179.3	0	0	0	0	108.7
81	S	24	Very low	27.5	Very low	117 Å²	117	167.2 Å²	167.2	82%	0.818	81%	0.807	S	S	*	*			trans	176.3	134.5	172.1	-178.6	0	0	0	0	105.1
82	S	25.8	Very low	26.9	Very low	91 Å²	91	170 Å²	170	64%	0.636	82%	0.822	S	S	*	*			cis	-159.4	161.8	-1.3	166.6	0	0	0	0	108.1
83	Y	25.6	Very low	26.8	Very low	216 Å²	216	165.1 Å²	165.1	85%	0.847	81%	0.809	S	S	*	*			trans	50.9	115.9	163.4	-98	-112.8	0	0	0	118.9
84	K	25.3	Very low	26.4	Very low	164 Å²	164	157.5 Å²	157.5	71%	0.713	80%	0.804	S	S	*	*				-165.3	154.5	97.7	-114	-173.5	157.7	-77	0	114.3
85	D	28.2	Very low	26.2	Very low	117 Å²	117	155.5 Å²	155.5	63%	0.626	80%	0.801	S	S	*	*			trans	45.6	127.5	152.2	-52.2	-15.7	0	0	0	121.4
86	W	26.8	Very low	26	Very low	254 Å²	254	152.1 Å²	152.1	96%	0.962	80%	0.8	S	S	*	*			trans	-81.2	140.3	155.9	-70.2	50.6	0	0	0	109.6
87	E	25.4	Very low	25.8	Very low	192 Å²	192	150.5 Å²	150.5	90%	0.897	80%	0.796	S	S	*	*			trans	-153	164.9	134	-128.3	169.4	-151.2	0	0	110.1
88	E	25.1	Very low	25.7	Very low	181 Å²	181	148.7 Å²	148.7	85%	0.846	79%	0.791	S	S	*	*			trans	-74.5	129.7	-160.9	-71.1	-178.9	120.8	0	0	113.3
89	S	25.4	Very low	25.5	Very low	103 Å²	103	150 Å²	150	72%	0.72	79%	0.788	S	S	*	*				69.2	82.9	68.8	-65.7	0	0	0	0	115.1
90	K	24.6	Very low	25.3	Very low	198 Å²	198	147.1 Å²	147.1	86%	0.861	78%	0.783	S	S	*	*				-179.9	158.3	110.2	-98.5	171	-177.9	178.1	0	114.3
91	S	24	Very low	25.3	Very low	96 Å²	96	145.9 Å²	145.9	67%	0.671	77%	0.771	S	S	*	*			trans	40.9	123.4	156	51.2	0	0	0	0	118.6
92	D	22.2	Very low	25.4	Very low	149 Å²	149	145.9 Å²	145.9	80%	0.797	77%	0.767	S	S	*	*				-126.5	159.3	65.7	-87.9	-41.8	0	0	0	116.2
93	S	29.5	Very low	25.4	Very low	90 Å²	90	146.2 Å²	146.2	63%	0.629	77%	0.769	S	S	*	*			cis	67.6	55	11.2	63.8	0	0	0	0	119.5
94	G	24.6	Very low	25.6	Very low	74 Å²	74	141.4 Å²	141.4	76%	0.763	77%	0.766	S	S	*	*			trans	-97.9	133.8	153.8	0	0	0	0	0	111.1
95	S	25.9	Very low	25.8	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	76%	0.764	S	S	*	*			cis	138	106.7	-14.5	60.8	0	0	0	0	108.7
96	D	22.4	Very low	25.9	Very low	156 Å²	156	137 Å²	137	83%	0.834	77%	0.766	S	S	*	*			trans	-103.2	139.7	145.6	-57.9	-42.4	0	0	0	104.8
97	E	26.1	Very low	26.2	Very low	167 Å²	167	133.3 Å²	133.3	78%	0.78	76%	0.757	S	S	*	*			cis	-159.9	-179.8	10.6	-131.7	165.3	-174.4	0	0	108.6
98	E	26.6	Very low	26.5	Very low	175 Å²	175	132.9 Å²	132.9	82%	0.818	75%	0.752	S	S	*	*			trans	69.5	143.2	171.5	-57.1	172.1	-159.5	0	0	118
99	D	24	Very low	26.8	Very low	141 Å²	141	129.9 Å²	129.9	75%	0.754	74%	0.738	S	S	*	*			cis	-170.1	160.4	-43.1	-110.2	-22.6	0	0	0	109
100	D	24.1	Very low	27	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	74%	0.736	S	S	*	*			trans	48.3	152.9	156.4	-77.2	-5.2	0	0	0	122.5
101	D	25.8	Very low	27.2	Very low	127 Å²	127	127.9 Å²	127.9	68%	0.679	72%	0.724	S	S	*	*			cis	-167.2	175.4	-25.2	-175	22.7	0	0	0	107.7
102	T	26.8	Very low	27.4	Very low	117 Å²	117	132.6 Å²	132.6	72%	0.718	73%	0.732	S	S	*	*			trans	73.8	142	162.4	70	0	0	0	0	118.6
103	S	25.8	Very low	27.7	Very low	97 Å²	97	134 Å²	134	68%	0.678	73%	0.728	S	S	*	*			cis	-163.8	140	-16.2	52.8	0	0	0	0	112.6
104	S	29.8	Very low	27.5	Very low	115 Å²	115	141.2 Å²	141.2	80%	0.804	74%	0.741	S	S	*	*			trans	32.3	146.5	140.7	80.7	0	0	0	0	121.9
105	A	28.7	Very low	27.7	Very low	79 Å²	79	144.3 Å²	144.3	65%	0.653	75%	0.745	S	S	*	*			cis	-159.3	-158.3	23.5	0	0	0	0	0	110.6
106	T	30.7	Very low	27.7	Very low	111 Å²	111	146 Å²	146	68%	0.681	75%	0.751	S	S	*	*			cis	-162.4	137.7	8	-7.4	0	0	0	0	111.2
107	K	33.9	Very low	28.1	Very low	175 Å²	175	141.6 Å²	141.6	76%	0.761	74%	0.743	S	S	*	*			trans	53.7	147.3	144.6	-65.1	171.5	-176.1	177.8	0	120.1
108	K	30.4	Very low	28.1	Very low	184 Å²	184	139 Å²	139	80%	0.8	74%	0.743	S	S	*	*			cis	-132	130.8	13.1	-74.1	-179.4	177.3	173.1	0	109.3
109	E	32.3	Very low	28.3	Very low	118 Å²	118	139.6 Å²	139.6	55%	0.551	75%	0.746	S	S	*	*				70.9	137.9	81.6	-65.8	-176.4	137.6	0	0	115	R111	E109-R111 IonicContact OE1-CZ 2.67Å; E109-R111 VanDerWaalsContact OE1-CZ 3.28Å; E109-R111 IonicContact OE1-NH1 2.76Å; E109-R111 PolarHBondContact OE1-NH1 2.94Å; E109-R111 IonicContact OE1-NH2 3.28Å; E109-R111 PolarHBondContact OE1-NH2 3.46Å
110	S	29.1	Very low	29	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	75%	0.749	S	S	*	*			cis	-147.9	132.1	13.7	66.8	0	0	0	0	112.8
111	R	28.7	Very low	29.8	Very low	161 Å²	161	137.5 Å²	137.5	61%	0.608	75%	0.746	S	S	*	*				67	139.2	98.8	-63.3	-169.2	-173.5	106.2	9.6	115.7	E109	E109-R111 IonicContact OE1-CZ 2.67Å; E109-R111 VanDerWaalsContact OE1-CZ 3.28Å; E109-R111 IonicContact OE1-NH1 2.76Å; E109-R111 PolarHBondContact OE1-NH1 2.94Å; E109-R111 IonicContact OE1-NH2 3.28Å; E109-R111 PolarHBondContact OE1-NH2 3.46Å
112	K	28.7	Very low	29.9	Very low	194 Å²	194	137 Å²	137	84%	0.843	75%	0.752	S	S	*	*				-143.6	128.6	58.7	-72.1	179.3	-177.8	177.2	0	116.4
113	Y	27.7	Very low	30.4	Very low	178 Å²	178	138.8 Å²	138.8	70%	0.698	76%	0.758	S	S	*	*			trans	39.1	125.2	140.5	-58	-75.3	0	0	0	123.1
114	R	25.7	Very low	31	Very low	243 Å²	243	140.1 Å²	140.1	92%	0.917	76%	0.764	S	S	*	*	P	Polyproline II helix		-85.8	159	124.6	-79.2	-177.1	172.4	170.8	-2.6	109.4
115	V	27.7	Very low	31.6	Very low	139 Å²	139	138.4 Å²	138.4	84%	0.842	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-94.4	144.9	178	177.8	0	0	0	0	110.5
116	T	26.8	Very low	31.9	Very low	141 Å²	141	138.3 Å²	138.3	87%	0.865	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-93.2	136.3	175.3	47.1	0	0	0	0	111.8
117	G	29.8	Very low	32.9	Very low	65 Å²	65	137.9 Å²	137.9	67%	0.67	77%	0.768	S	S	*	*			trans	169.1	138.6	168.5	0	0	0	0	0	112.2
118	S	28	Very low	33.9	Very low	111 Å²	111	133 Å²	133	78%	0.776	76%	0.756	S	S	*	*			trans	52.5	108.4	-172.8	51.5	0	0	0	0	114.6
119	E	30.8	Very low	34.7	Very low	188 Å²	188	132.1 Å²	132.1	88%	0.879	76%	0.755	S	S	*	*				61.1	116.7	60.4	-54.5	-178.4	147.5	0	0	113.2
120	T	37.8	Very low	35.7	Very low	134 Å²	134	133.8 Å²	133.8	82%	0.822	76%	0.762	S	S	*	*			trans	-66.2	159.9	158.8	43.3	0	0	0	0	109.2
121	P	41.4	Very low	36.7	Very low	113 Å²	113	134.8 Å²	134.8	73%	0.734	76%	0.755	S	S	*	*			cis	-152.2	-169.3	41.7	43.7	-22.2	0	0	0	117.7
122	S	28.3	Very low	37.7	Very low	116 Å²	116	135 Å²	135	81%	0.811	76%	0.755	S	S	*	*			trans	78.5	132.3	158.7	69.7	0	0	0	0	119.6
123	N	35.8	Very low	38.9	Very low	155 Å²	155	134.4 Å²	134.4	83%	0.829	75%	0.748	S	S	*	*			trans	-62.1	164.1	175.5	-105.7	-28.4	0	0	0	112.8
124	P	38.1	Very low	40.4	Very low	124 Å²	124	134.6 Å²	134.6	81%	0.805	75%	0.748	S	S	*	*			cis	-137.8	167.7	20	40.5	-23.1	0	0	0	117.7
125	G	43.8	Very low	41.7	Very low	79 Å²	79	127.8 Å²	127.8	81%	0.814	73%	0.726	S	S	*	*			trans	90.6	71.2	143	0	0	0	0	0	117.7
126	G	34.8	Very low	42.8	Very low	78 Å²	78	127 Å²	127	80%	0.804	71%	0.713	S	S	*	*			trans	-129.8	108.3	166.4	0	0	0	0	0	111.8
127	V	51.4	Low	44.3	Very low	102 Å²	102	126 Å²	126	62%	0.618	70%	0.698	S	S	*	*			trans	-77.8	135	171.2	178.3	0	0	0	0	108.8	F131	V127-F131 HydrophobicContact CG1-CB 3.88Å; V127-F131 HydrophobicContact CG1-CD1 3.3Å; V127-F131 HydrophobicContact CG1-CE1 4.01Å; V127-F131 HydrophobicContact CG1-CG 3.76Å
128	S	55.3	Low	45.4	Very low	72 Å²	72	131.7 Å²	131.7	50%	0.503	70%	0.7	S	S	.	*			trans	-60.2	148	-171.5	72	0	0	0	0	113	E130 F131 R132	S128-E130 VanDerWaalsContact C-N 3.3Å; S128-E130 PolarHBondContact O-N 3.48Å; S128-F131 WeakPolarHBondContact O-CB 3.37Å; S128-F131 PolarHBondContact O-N 3.28Å; S128-F131 WeakPolarHBondContact OG-CB 3.25Å; S128-F131 PolarHBondContact OG-N 3.21Å; S128-R132 PolarHBondContact O-N 3.47Å
129	E	46.9	Very low	46.3	Very low	166 Å²	166	129.9 Å²	129.9	78%	0.776	68%	0.679	S	S	*	*	H	α-helix	trans	-63.6	-35.2	-175.5	-161.9	175.4	-126.4	0	0	112.2	R132 R133	E129-R132 PolarHBondContact O-N 2.78Å; E129-R133 VanDerWaalsContact O-CB 3.26Å; E129-R133 WeakPolarHBondContact O-CB 3.31Å; E129-R133 PolarHBondContact O-N 2.65Å
130	E	52.2	Low	47.2	Very low	152 Å²	152	126.9 Å²	126.9	71%	0.71	66%	0.663	S	S	*	*	H	α-helix	trans	-61.1	-41.6	169.6	-76.9	-161.2	115.8	0	0	113.1	S128 R134	S128-E130 VanDerWaalsContact C-N 3.3Å; S128-E130 PolarHBondContact O-N 3.48Å; E130-R134 WeakPolarHBondContact O-CB 3.09Å; E130-R134 PolarHBondContact O-N 2.92Å
131	F	51.8	Low	48	Very low	119 Å²	119	125.1 Å²	125.1	52%	0.522	65%	0.648	S	S	.	*	H	α-helix	trans	-68.1	-42.5	177.1	-175	-75.8	0	0	0	110.3	V127 S128 R133 R134 H135	V127-F131 HydrophobicContact CG1-CB 3.88Å; V127-F131 HydrophobicContact CG1-CD1 3.3Å; V127-F131 HydrophobicContact CG1-CE1 4.01Å; V127-F131 HydrophobicContact CG1-CG 3.76Å; S128-F131 WeakPolarHBondContact O-CB 3.37Å; S128-F131 PolarHBondContact O-N 3.28Å; S128-F131 WeakPolarHBondContact OG-CB 3.25Å; S128-F131 PolarHBondContact OG-N 3.21Å; F131-R133 VanDerWaalsContact C-N 3.33Å; F131-R133 PolarHBondContact O-N 3.1Å; F131-R134 CarbonylContact O-C 3.59Å; F131-R134 PolarHBondContact O-N 3.41Å; F131-H135 HydrophobicContact CD1-CB 4.48Å; F131-H135 HydrophobicContact CE1-CB 4.42Å; F131-H135 WeakPolarHBondContact O-CB 3.2Å; F131-H135 PolarHBondContact O-N 3.33Å
132	R	48.2	Very low	48.1	Very low	165 Å²	165	128.9 Å²	128.9	62%	0.623	65%	0.648	S	S	*	*	H	α-helix	trans	-58	-45.9	175.8	-161.9	174.7	-166.6	147.6	3.6	111	S128 E129 H135 E136	S128-R132 PolarHBondContact O-N 3.47Å; E129-R132 PolarHBondContact O-N 2.78Å; R132-H135 WeakPolarHBondContact O-CB 3.43Å; R132-H135 PolarHBondContact O-N 3.01Å; R132-E136 WeakPolarHBondContact O-CG 3.29Å; R132-E136 PolarHBondContact O-N 2.87Å
133	R	53.8	Low	48.8	Very low	182 Å²	182	132.9 Å²	132.9	69%	0.687	65%	0.645	S	S	*	*	H	α-helix	trans	-66	-40.1	176.6	-164.7	170.3	178.6	174	-0.8	112.8	E129 F131 H135 Q137	E129-R133 VanDerWaalsContact O-CB 3.26Å; E129-R133 WeakPolarHBondContact O-CB 3.31Å; E129-R133 PolarHBondContact O-N 2.65Å; F131-R133 VanDerWaalsContact C-N 3.33Å; F131-R133 PolarHBondContact O-N 3.1Å; R133-H135 VanDerWaalsContact C-N 3.33Å; R133-Q137 VanDerWaalsContact O-CB 3.32Å; R133-Q137 WeakPolarHBondContact O-CB 3.44Å; R133-Q137 PolarHBondContact O-N 3.05Å
134	R	59.9	Low	49.1	Very low	183 Å²	183	132.3 Å²	132.3	69%	0.691	64%	0.638	S	S	*	*	H	α-helix	trans	-64.8	-34.1	170.2	-93	179.4	164.8	154.6	-3	112.9	E130 F131 R138	E130-R134 WeakPolarHBondContact O-CB 3.09Å; E130-R134 PolarHBondContact O-N 2.92Å; F131-R134 CarbonylContact O-C 3.59Å; F131-R134 PolarHBondContact O-N 3.41Å; R134-R138 WeakPolarHBondContact O-CB 3.42Å; R134-R138 WeakPolarHBondContact O-CG 3.32Å; R134-R138 PolarHBondContact O-N 2.8Å
135	H	53	Low	49.4	Very low	100 Å²	100	134.8 Å²	134.8	46%	0.463	64%	0.639	S	S	.	*	H	α-helix	trans	-74.3	-43.4	178.2	-166.5	-62.5	0	0	0	111.3	F131 R132 R133 Q137 R138 E139	F131-H135 HydrophobicContact CD1-CB 4.48Å; F131-H135 HydrophobicContact CE1-CB 4.42Å; F131-H135 WeakPolarHBondContact O-CB 3.2Å; F131-H135 PolarHBondContact O-N 3.33Å; R132-H135 WeakPolarHBondContact O-CB 3.43Å; R132-H135 PolarHBondContact O-N 3.01Å; R133-H135 VanDerWaalsContact C-N 3.33Å; H135-Q137 VanDerWaalsContact C-N 3.3Å; H135-Q137 PolarHBondContact O-N 3.37Å; H135-R138 PolarHBondContact O-N 2.94Å; H135-E139 WeakPolarHBondContact O-CB 3.35Å; H135-E139 WeakPolarHBondContact O-CG 3.36Å; H135-E139 PolarHBondContact O-N 2.78Å
136	E	51.7	Low	49	Very low	121 Å²	121	133.9 Å²	133.9	57%	0.565	63%	0.63	S	S	*	*	H	α-helix	trans	-60.8	-39.4	172.2	-75.4	173.7	174.7	0	0	111.6	R132 E139 K140	R132-E136 WeakPolarHBondContact O-CG 3.29Å; R132-E136 PolarHBondContact O-N 2.87Å; E136-E139 PolarHBondContact O-N 3.47Å; E136-K140 WeakPolarHBondContact O-CB 3.42Å; E136-K140 PolarHBondContact O-N 3.32Å
137	Q	58.1	Low	49.1	Very low	121 Å²	121	135.7 Å²	135.7	57%	0.565	63%	0.625	S	S	*	*	H	α-helix	trans	-67	-43.9	176	-163	154.8	1.9	0	0	111.6	R133 H135 E139 K140 D141	R133-Q137 VanDerWaalsContact O-CB 3.32Å; R133-Q137 WeakPolarHBondContact O-CB 3.44Å; R133-Q137 PolarHBondContact O-N 3.05Å; H135-Q137 VanDerWaalsContact C-N 3.3Å; H135-Q137 PolarHBondContact O-N 3.37Å; Q137-E139 PolarHBondContact O-N 3.18Å; Q137-K140 WeakPolarHBondContact O-CB 3.24Å; Q137-K140 PolarHBondContact O-N 2.85Å; Q137-K140 VanDerWaalsContact O-N 3.11Å; Q137-D141 PolarHBondContact O-N 3.29Å
138	R	52.8	Low	48	Very low	184 Å²	184	140 Å²	140	69%	0.694	64%	0.636	S	S	*	*	H	α-helix	trans	-64.8	-33.1	172.3	-78.4	178.2	167.7	-175.1	-4.1	114.2	R134 H135 K140 R142	R134-R138 WeakPolarHBondContact O-CB 3.42Å; R134-R138 WeakPolarHBondContact O-CG 3.32Å; R134-R138 PolarHBondContact O-N 2.8Å; H135-R138 PolarHBondContact O-N 2.94Å; R138-K140 VanDerWaalsContact C-N 3.32Å; R138-R142 VanDerWaalsContact O-CB 3.32Å; R138-R142 WeakPolarHBondContact O-CB 3.42Å; R138-R142 WeakPolarHBondContact O-CG 3.38Å; R138-R142 PolarHBondContact O-N 2.99Å
139	E	45.5	Very low	46.7	Very low	73 Å²	73	140.9 Å²	140.9	34%	0.341	65%	0.647	S	S	.	*	H	α-helix	trans	-67.1	-35.4	171.2	-87.3	-72.8	113.1	0	0	111.3	H135 E136 Q137 R142 R143	H135-E139 WeakPolarHBondContact O-CB 3.35Å; H135-E139 WeakPolarHBondContact O-CG 3.36Å; H135-E139 PolarHBondContact O-N 2.78Å; E136-E139 PolarHBondContact O-N 3.47Å; Q137-E139 PolarHBondContact O-N 3.18Å; E139-R142 PolarHBondContact O-N 3.29Å; E139-R143 WeakPolarHBondContact O-CB 3.48Å; E139-R143 VanDerWaalsContact O-CG 3.29Å; E139-R143 WeakPolarHBondContact O-CG 3.08Å; E139-R143 PolarHBondContact O-N 3.4Å
140	K	51.4	Low	45.8	Very low	126 Å²	126	138 Å²	138	55%	0.548	65%	0.646	S	S	.	*	H	α-helix	trans	-70.5	-48	176.1	-156.8	175.3	-177.2	-175.8	0	111.5	E136 Q137 R138 R142 R143 E144	E136-K140 WeakPolarHBondContact O-CB 3.42Å; E136-K140 PolarHBondContact O-N 3.32Å; Q137-K140 WeakPolarHBondContact O-CB 3.24Å; Q137-K140 PolarHBondContact O-N 2.85Å; Q137-K140 VanDerWaalsContact O-N 3.11Å; R138-K140 VanDerWaalsContact C-N 3.32Å; K140-R142 PolarHBondContact O-N 3.48Å; K140-R143 PolarHBondContact O-N 3.19Å; K140-E144 PolarHBondContact O-N 2.96Å
141	D	54.1	Low	44.6	Very low	96 Å²	96	136.4 Å²	136.4	51%	0.513	65%	0.651	S	S	.	*	H	α-helix	trans	-56.3	-36.4	173.3	-57.2	-22.4	0	0	0	111.3	Q137	Q137-D141 PolarHBondContact O-N 3.29Å
142	R	43.7	Very low	43.6	Very low	192 Å²	192	138.8 Å²	138.8	73%	0.725	66%	0.661	S	S	*	*	H	α-helix	trans	-75.5	-24.6	173.8	-82.9	-179.1	158.5	-163.5	-6.7	115.1	R138 E139 K140	R138-R142 VanDerWaalsContact O-CB 3.32Å; R138-R142 WeakPolarHBondContact O-CB 3.42Å; R138-R142 WeakPolarHBondContact O-CG 3.38Å; R138-R142 PolarHBondContact O-N 2.99Å; E139-R142 PolarHBondContact O-N 3.29Å; K140-R142 PolarHBondContact O-N 3.48Å
143	R	41.6	Very low	42.6	Very low	200 Å²	200	138.8 Å²	138.8	76%	0.755	67%	0.668	S	S	*	*	H	α-helix	trans	-82.1	-27.5	175.5	-79.1	175.4	-179.1	-152.8	-1.2	112.6	E139 K140 Q145	E139-R143 WeakPolarHBondContact O-CB 3.48Å; E139-R143 VanDerWaalsContact O-CG 3.29Å; E139-R143 WeakPolarHBondContact O-CG 3.08Å; E139-R143 PolarHBondContact O-N 3.4Å; K140-R143 PolarHBondContact O-N 3.19Å; R143-Q145 VanDerWaalsContact C-N 3.28Å
144	E	42.6	Very low	41.3	Very low	144 Å²	144	134.6 Å²	134.6	67%	0.673	66%	0.659	S	S	*	*	S	Bend	trans	-81.1	-7.7	175.2	-67.1	176	-159.1	0	0	112.4	K140	K140-E144 PolarHBondContact O-N 2.96Å
145	Q	45.4	Very low	39.8	Very low	175 Å²	175	132.9 Å²	132.9	82%	0.818	66%	0.657	S	S	*	*	S	Bend	trans	-130.6	78.6	169.5	-68	-167.8	-4.6	0	0	113.1	R143	R143-Q145 VanDerWaalsContact C-N 3.28Å
146	G	35.1	Very low	38.5	Very low	61 Å²	61	133.6 Å²	133.6	63%	0.629	67%	0.669	S	S	*	*			trans	-130.1	167.5	163.1	0	0	0	0	0	110.9
147	V	36.4	Very low	37.3	Very low	116 Å²	116	138.3 Å²	138.3	70%	0.703	68%	0.681	S	S	*	*			cis	-150.9	145.9	2.4	-161.3	0	0	0	0	107.1
148	F	28.4	Very low	35.8	Very low	192 Å²	192	137.6 Å²	137.6	84%	0.842	68%	0.681	S	S	*	*				153.3	149.9	111.2	-83.7	-62.7	0	0	0	107.7
149	A	27.1	Very low	34.6	Very low	90 Å²	90	138.5 Å²	138.5	74%	0.744	69%	0.685	S	S	*	*			cis	-159	171.7	-3.7	0	0	0	0	0	107.3
150	S	28	Very low	33.7	Very low	107 Å²	107	141 Å²	141	75%	0.748	70%	0.696	S	S	*	*			cis	163.8	95.7	-27.1	173.4	0	0	0	0	108.5
151	S	28.8	Very low	32.5	Very low	117 Å²	117	144.8 Å²	144.8	82%	0.818	71%	0.707	S	S	*	*			trans	-170.3	132.5	149.6	45	0	0	0	0	107.3
152	K	29.8	Very low	31.2	Very low	169 Å²	169	145.1 Å²	145.1	74%	0.735	72%	0.717	S	S	*	*			cis	75.8	97.5	8.6	-157.6	-162.5	178.2	-166.9	0	117
153	E	26.4	Very low	30.5	Very low	166 Å²	166	144.6 Å²	144.6	78%	0.776	72%	0.72	S	S	*	*				-150.6	130.8	115.4	-95.2	-169	149.8	0	0	106.5
154	D	28.3	Very low	30	Very low	94 Å²	94	139.9 Å²	139.9	50%	0.503	71%	0.71	S	S	.	*				77.1	145	73.6	-81	27.1	0	0	0	112.2
155	K	28.3	Very low	29.3	Very low	146 Å²	146	142.4 Å²	142.4	64%	0.635	72%	0.719	S	S	*	*			cis	-163.4	159.3	17.6	-128.1	173.1	-151.3	83.1	0	112.6
156	T	25.7	Very low	28.4	Very low	116 Å²	116	137.3 Å²	137.3	71%	0.712	71%	0.713	S	S	*	*			trans	59.1	133.5	153.6	46	0	0	0	0	120.5
157	R	26	Very low	28	Very low	219 Å²	219	145.5 Å²	145.5	83%	0.826	73%	0.725	S	S	*	*				75	144	50.2	-74	-177.7	170.1	177.8	-2.1	113.7
158	D	26.9	Very low	27.6	Very low	107 Å²	107	145.1 Å²	145.1	57%	0.572	72%	0.715	S	S	*	*			cis	-160.2	159.3	6.4	-126.9	-31.3	0	0	0	112.1
159	R	27.1	Very low	27.5	Very low	202 Å²	202	145 Å²	145	76%	0.762	71%	0.709	S	S	*	*			trans	66.6	164	155.6	-65.1	172.9	-165	-170.1	2.7	118.2
160	E	26.8	Very low	27.5	Very low	126 Å²	126	151.2 Å²	151.2	59%	0.589	71%	0.714	S	S	*	*			cis	-147.8	157.7	2.1	-140.1	171.9	-100.7	0	0	114.7
161	R	25.8	Very low	27.3	Very low	205 Å²	205	150.7 Å²	150.7	77%	0.774	71%	0.71	S	S	*	*			trans	51.8	122.6	147.2	-92.9	177.3	179	134.1	-11.3	124.5
162	S	27.7	Very low	27.3	Very low	103 Å²	103	151.2 Å²	151.2	72%	0.72	70%	0.7	S	S	*	*				90.3	110.9	118.1	74.3	0	0	0	0	124.3
163	K	29	Very low	27.1	Very low	182 Å²	182	152.2 Å²	152.2	79%	0.791	70%	0.699	S	S	*	*				82.1	128.5	123.6	-100.8	178	160.8	-97.7	0	124
164	D	29.6	Very low	27.2	Very low	101 Å²	101	150 Å²	150	54%	0.54	69%	0.692	S	S	.	*			trans	91	122.2	134.7	-87.5	-53.3	0	0	0	122
165	K	27.6	Very low	27.1	Very low	197 Å²	197	150.4 Å²	150.4	86%	0.857	69%	0.694	S	S	*	*			trans	59.7	137.3	150.5	-57.3	170.9	-173.6	179.5	0	118.4
166	G	27.8	Very low	27	Very low	68 Å²	68	153.3 Å²	153.3	70%	0.701	70%	0.701	S	S	*	*			cis	139.8	163.5	5.8	0	0	0	0	0	110.5
167	R	26.9	Very low	27.2	Very low	232 Å²	232	154.9 Å²	154.9	88%	0.875	71%	0.705	S	S	*	*			trans	66.6	157.9	175.3	-72.7	-169.5	151.1	146.5	2	117
168	E	27.3	Very low	27.2	Very low	108 Å²	108	147.2 Å²	147.2	51%	0.505	69%	0.694	S	S	.	*			cis	-161.6	154.2	-30.5	-118.5	-178.9	-115.3	0	0	110.5
169	R	26.4	Very low	27.2	Very low	189 Å²	189	152 Å²	152	71%	0.713	70%	0.704	S	S	*	*			trans	47.5	125.4	144.8	-72	-178.5	178.3	137.7	-9.5	123.7
170	R	26.3	Very low	27.3	Very low	222 Å²	222	149.7 Å²	149.7	84%	0.838	70%	0.702	S	S	*	*				91.1	140.2	126.6	-79.1	178.5	176.7	-176.1	-0.3	122.6
171	S	25.7	Very low	27.3	Very low	95 Å²	95	147.7 Å²	147.7	66%	0.664	70%	0.702	S	S	*	*			trans	62.2	143	154.2	-83.6	0	0	0	0	117.8
172	E	27.7	Very low	27.4	Very low	129 Å²	129	149.4 Å²	149.4	60%	0.603	71%	0.708	S	S	*	*			cis	-163.3	166	-3.8	-137.6	165.6	-91	0	0	109.4
173	R	26.2	Very low	27.5	Very low	190 Å²	190	145.7 Å²	145.7	72%	0.717	69%	0.686	S	S	*	*			trans	69.1	157.3	156.1	-65.2	173.7	-160.8	-117.5	-3.1	118
174	D	27.9	Very low	27.4	Very low	119 Å²	119	139.9 Å²	139.9	64%	0.636	66%	0.664	S	S	*	*			cis	-150.7	164.1	-15.7	-111.6	-24.6	0	0	0	111.7
175	D	27.3	Very low	27.4	Very low	102 Å²	102	135.1 Å²	135.1	55%	0.545	64%	0.638	S	S	.	*			trans	48.3	114.9	150.9	-82.7	-29.3	0	0	0	122.9
176	R	25.7	Very low	27.6	Very low	207 Å²	207	126.4 Å²	126.4	78%	0.781	60%	0.602	S	S	*	*				71.7	165.8	125.7	-64.2	174.6	-148.4	-169.2	17	121.8
177	D	28.5	Very low	27.8	Very low	149 Å²	149	123.2 Å²	123.2	80%	0.797	57%	0.569	S	S	*	*			cis	-174.6	-177	-47.3	-143.8	-44.2	0	0	0	107.8
178	G	26.7	Very low	28	Very low	58 Å²	58	112.1 Å²	112.1	60%	0.598	53%	0.527	S	S	*	.			trans	68.4	76.1	147.7	0	0	0	0	0	117.4
179	R	27.4	Very low	28.2	Very low	207 Å²	207	107 Å²	107	78%	0.781	50%	0.503	S	S	*	.				60.3	109.4	87.8	-69.2	-169.3	173.1	-157.4	0.7	118.6
180	H	28.1	Very low	28.5	Very low	155 Å²	155	98 Å²	98	72%	0.718	47%	0.469	S	S	*	.				86.6	136.5	119.5	-65.3	-14.2	0	0	0	122.9
181	S	28.1	Very low	28.8	Very low	84 Å²	84	87.5 Å²	87.5	59%	0.587	43%	0.43	S	S	*	.			trans	90.4	132.6	134.1	-79.8	0	0	0	0	122.1
182	R	28.5	Very low	29.1	Very low	241 Å²	241	83.6 Å²	83.6	91%	0.909	40%	0.401	S	S	*	.				32.2	134.7	123.8	-51.4	173	177.3	-179.8	-2.2	117.2
183	G	28.2	Very low	29.3	Very low	24 Å²	24	80.7 Å²	80.7	25%	0.247	39%	0.387	C	S	.	.			cis	-165.7	-175.2	17	0	0	0	0	0	111.1	I870	G183-I870 WeakPolarHBondContact O-CG1 3.05Å
184	N	26.9	Very low	29.3	Very low	61 Å²	61	82.6 Å²	82.6	33%	0.326	40%	0.395	S	S	.	.			cis	93.6	136.7	44.5	-150.4	33.1	0	0	0	110.1	I870 T1132 G1133 M1134	N184-I870 WeakPolarHBondContact O-CD1 3.24Å; N184-I870 VanDerWaalsContact O-CG1 3.25Å; N184-I870 WeakPolarHBondContact O-CG1 3.33Å; N184-I870 WeakPolarHBondContact O-CG2 3.42Å; N184-T1132 PolarHBondContact OD1-O 2.83Å; N184-G1133 WeakPolarHBondContact OD1-CA 3.38Å; N184-G1133 PolarHBondContact OD1-O 2.95Å; N184-M1134 HydrophobicContact CB-CE 3.9Å; N184-M1134 HydrophobicContact CB-CG 3.59Å; N184-M1134 HydrophobicContact CB-SD 3.8Å; N184-M1134 WeakPolarHBondContact ND2-CA 3.37Å; N184-M1134 WeakPolarHBondContact ND2-CG 3.4Å; N184-M1134 PolarHBondContact ND2-SD 2.77Å; N184-M1134 WeakPolarHBondContact O-CE 3.28Å; N184-M1134 WeakPolarHBondContact O-CG 3.31Å; N184-M1134 PolarHBondContact OD1-N 2.88Å
185	S	30.1	Very low	29.2	Very low	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.398	C	S	.	.			trans	65.6	143	-157.9	46	0	0	0	0	111.5	I870 T1132 M1134 E1165	S185-I870 CarbonylContact C-O 3.55Å; S185-I870 CarbonylContact O-C 3.1Å; S185-I870 VanDerWaalsContact O-CA 3.25Å; S185-I870 WeakPolarHBondContact O-CA 3.36Å; S185-I870 WeakPolarHBondContact OG-CG2 3.32Å; S185-T1132 VanDerWaalsContact C-CB 3.41Å; S185-T1132 WeakPolarHBondContact CA-OG1 3.41Å; S185-T1132 PolarHBondContact N-OG1 3Å; S185-T1132 WeakPolarHBondContact O-CB 3.25Å; S185-T1132 WeakPolarHBondContact O-CG2 3.43Å; S185-T1132 PolarHBondContact O-OG1 2.96Å; S185-M1134 WeakPolarHBondContact OG-CG 3.22Å; S185-E1165 PolarHBondContact OG-OE2 3.24Å
186	S	31.2	Very low	29.1	Very low	14 Å²	14	82.4 Å²	82.4	10%	0.098	41%	0.405	C	S	.	.			cis	-146.9	163.1	11	55.9	0	0	0	0	110.2	I870 N1129 R1131 T1132 Y1156	S186-I870 PolarHBondContact N-O 3.09Å; S186-I870 VanDerWaalsContact N-O 3.14Å; S186-I870 PolarHBondContact OG-O 3.03Å; S186-N1129 VanDerWaalsContact CA-OD1 3.31Å; S186-N1129 WeakPolarHBondContact CA-OD1 3.49Å; S186-R1131 WeakPolarHBondContact O-CB 3.3Å; S186-R1131 WeakPolarHBondContact O-CD 3.1Å; S186-R1131 PolarHBondContact O-NE 3.01Å; S186-R1131 PolarHBondContact O-NH1 3.09Å; S186-T1132 WeakPolarHBondContact CA-OG1 3.5Å; S186-T1132 PolarHBondContact N-OG1 3.25Å; S186-Y1156 WeakPolarHBondContact CB-OH 3.44Å
187	S	32	Very low	29	Very low	1 Å²	1	82.7 Å²	82.7	1%	0.007	41%	0.406	C	S	.	.			cis	169.5	0	0.2	-100.5	0	0	0	0	111.3	H1116 Q1117 A1118 N1129 Y1156 Y1186	S187-H1116 CarbonylContact C-O 3.59Å; S187-H1116 WeakPolarHBondContact CB-O 3.25Å; S187-H1116 WeakPolarHBondContact O-CA 3.48Å; S187-Q1117 VanDerWaalsContact CB-C 3.45Å; S187-A1118 VanDerWaalsContact CA-CB 3.4Å; S187-A1118 WeakPolarHBondContact OG-CA 3.42Å; S187-A1118 WeakPolarHBondContact OG-CB 3.34Å; S187-A1118 PolarHBondContact OG-N 2.85Å; S187-A1118 PolarHBondContact OG-O 2.85Å; S187-A1118 VanDerWaalsContact OG-O 3.07Å; S187-N1129 VanDerWaalsContact CA-OD1 3.25Å; S187-N1129 WeakPolarHBondContact CA-OD1 3.38Å; S187-N1129 PolarHBondContact N-OD1 2.67Å; S187-N1129 PolarHBondContact OG-ND2 3.34Å; S187-N1129 PolarHBondContact OG-OD1 3.23Å; S187-Y1156 PolarHBondContact OG-OH 2.95Å; S187-Y1186 VanDerWaalsContact C-OH 3.32Å; S187-Y1186 PolarHBondContact O-OH 3.29Å; S187-Y1186 VanDerWaalsContact O-OH 3.07Å
188	R	31.2	Very low	28.8	Very low	0 Å²	0	81.3 Å²	81.3	0%	0	41%	0.408	C	S	.	.				0	134	0	-50.9	-171.3	-160.7	146.5	-12.5	125.7	Y1114 F1115 Q1117 A1118 A1119 V1130 D1152 Y1153 I1154 L1178 Y1186	R188-Y1114 CarbonylContact C-O 3.57Å; R188-F1115 CarbonylContact C-O 3.59Å; R188-F1115 WeakPolarHBondContact CA-O 3.48Å; R188-F1115 PolarHBondContact N-O 2.88Å; R188-F1115 VanDerWaalsContact N-O 3.14Å; R188-Q1117 CarbonylContact O-C 3.51Å; R188-Q1117 WeakPolarHBondContact O-CA 3.42Å; R188-Q1117 PolarHBondContact O-N 3.33Å; R188-A1118 VanDerWaalsContact CB-CA 3.45Å; R188-A1118 HydrophobicContact CB-CB 3.1Å; R188-A1118 HydrophobicContact CG-CB 3.32Å; R188-A1118 PolarHBondContact O-N 3.43Å; R188-A1119 PolarHBondContact NE-O 3.21Å; R188-A1119 VanDerWaalsContact NE-O 3.14Å; R188-A1119 PolarHBondContact NH1-O 3.15Å; R188-A1119 PolarHBondContact NH2-O 3.44Å; R188-V1130 HydrophobicContact CG-CB 3.8Å; R188-V1130 HydrophobicContact CG-CG1 4.06Å; R188-V1130 HydrophobicContact CG-CG2 3.85Å; R188-D1152 PolarHBondContact NH2-O 3.22Å; R188-Y1153 VanDerWaalsContact NH1-CA 3.33Å; R188-Y1153 VanDerWaalsContact NH2-CE1 3.31Å; R188-I1154 PolarHBondContact NH1-O 3.06Å; R188-L1178 HydrophobicContact CB-CD2 4.2Å; R188-L1178 HydrophobicContact CG-CD2 4.1Å; R188-Y1186 WeakPolarHBondContact CA-OH 3.4Å; R188-Y1186 HydrophobicContact CB-CE2 4.42Å; R188-Y1186 HydrophobicContact CG-CE2 4.4Å; R188-Y1186 PolarHBondContact N-OH 3.23Å
189	S	32.5	Very low	28.7	Very low	0 Å²	0	85.3 Å²	85.3	0%	0	41%	0.411	C	S	.	.			cis	-148.2	-122.4	47.6	-27.5	0	0	0	0	119.7	C1111 Y1114 F1115 I1154 L1178	S189-C1111 WeakPolarHBondContact CA-SG 3.48Å; S189-C1111 WeakPolarHBondContact CB-SG 3.32Å; S189-C1111 PolarHBondContact N-SG 3.4Å; S189-Y1114 PolarHBondContact N-O 3.28Å; S189-F1115 PolarHBondContact N-O 3.22Å; S189-F1115 WeakPolarHBondContact O-CA 3.26Å; S189-F1115 VanDerWaalsContact O-CB 3.27Å; S189-F1115 WeakPolarHBondContact O-CB 3.45Å; S189-I1154 PolarHBondContact OG-O 3.07Å; S189-L1178 VanDerWaalsContact O-CD2 3.3Å; S189-L1178 WeakPolarHBondContact O-CD2 3.25Å
190	E	32.4	Very low	28.5	Very low	0 Å²	0	84.8 Å²	84.8	0%	0	41%	0.409	C	S	.	.			trans	-141.7	-168.2	-141.2	37	54.3	114.5	0	0	122.4	C1111 A1112 V1173 W1177 L1178	E190-C1111 PolarHBondContact N-SG 3.18Å; E190-C1111 CarbonylContact O-C 3.6Å; E190-C1111 WeakPolarHBondContact O-CA 3.14Å; E190-C1111 WeakPolarHBondContact O-CB 3.47Å; E190-C1111 WeakPolarHBondContact OE2-CB 3.02Å; E190-A1112 PolarHBondContact O-N 3.35Å; E190-A1112 VanDerWaalsContact O-N 3.09Å; E190-V1173 HydrophobicContact CG-CB 3.6Å; E190-V1173 HydrophobicContact CG-CG1 4.02Å; E190-V1173 HydrophobicContact CG-CG2 4.07Å; E190-V1173 WeakPolarHBondContact OE1-CB 3.32Å; E190-V1173 WeakPolarHBondContact OE1-CG1 3.24Å; E190-V1173 VanDerWaalsContact OE2-CG1 3.27Å; E190-V1173 WeakPolarHBondContact OE2-CG1 3.45Å; E190-W1177 CarbonylContact C-O 3.49Å; E190-W1177 WeakPolarHBondContact CA-O 3.36Å; E190-W1177 HydrophobicContact CB-CB 3.66Å; E190-W1177 VanDerWaalsContact CB-O 3.23Å; E190-W1177 WeakPolarHBondContact CB-O 3.27Å; E190-W1177 HydrophobicContact CG-CB 4.23Å; E190-L1178 HydrophobicContact CB-CB 4.22Å; E190-L1178 HydrophobicContact CB-CD2 3.6Å; E190-L1178 HydrophobicContact CB-CG 3.62Å; E190-L1178 VanDerWaalsContact CB-N 3.28Å; E190-L1178 HydrophobicContact CG-CD2 3.81Å; E190-L1178 HydrophobicContact CG-CG 3.81Å
191	R	31.7	Very low	28.3	Very low	2 Å²	2	82 Å²	82	1%	0.008	41%	0.407	C	S	.	.			trans	157.8	72.2	158.4	-70.8	178.7	-162.7	-119.2	12.6	123.9	D1104 R1107 K1108 A1172 W1177 L1181	R191-D1104 IonicContact CZ-OD1 2.79Å; R191-D1104 IonicContact NH1-OD1 3.81Å; R191-D1104 PolarHBondContact NH1-OD1 3.33Å; R191-R1107 VanDerWaalsContact CD-C 3.48Å; R191-R1107 VanDerWaalsContact CZ-CB 3.46Å; R191-R1107 VanDerWaalsContact NH2-CD 3.34Å; R191-R1107 VanDerWaalsContact NH2-NE 3.14Å; R191-K1108 HydrophobicContact CB-CB 3.52Å; R191-K1108 HydrophobicContact CB-CG 3.82Å; R191-K1108 WeakPolarHBondContact O-CD 3.24Å; R191-A1172 PolarHBondContact NH2-O 3.23Å; R191-A1172 VanDerWaalsContact NH2-O 3.09Å; R191-W1177 HydrophobicContact CB-CB 4.06Å; R191-W1177 HydrophobicContact CG-CB 3.51Å; R191-W1177 HydrophobicContact CG-CD2 3.51Å; R191-W1177 HydrophobicContact CG-CE3 3.18Å; R191-W1177 HydrophobicContact CG-CG 3.69Å; R191-W1177 HydrophobicContact CG-CZ3 4.06Å; R191-W1177 PolarHBondContact N-O 3.45Å; R191-W1177 VanDerWaalsContact NE-CZ3 3.26Å; R191-W1177 VanDerWaalsContact NH2-CZ3 3.28Å; R191-L1181 WeakPolarHBondContact O-CD1 3.44Å
192	L	32.1	Very low	28.2	Very low	13 Å²	13	86.8 Å²	86.8	7%	0.068	42%	0.42	C	S	.	.				81.5	136.9	119	-119.5	179.7	0	0	0	121.8	D1104 K1108 W1177 E1180	L192-D1104 HydrophobicContact CD1-CB 3.48Å; L192-D1104 VanDerWaalsContact CD1-CB 3.48Å; L192-D1104 VanDerWaalsContact CD1-O 3.31Å; L192-D1104 WeakPolarHBondContact CD1-O 3.42Å; L192-K1108 HydrophobicContact CB-CD 3.63Å; L192-K1108 HydrophobicContact CB-CG 3.6Å; L192-K1108 HydrophobicContact CD1-CG 3.99Å; L192-K1108 HydrophobicContact CG-CG 4.49Å; L192-K1108 PolarHBondContact O-NZ 3.24Å; L192-W1177 VanDerWaalsContact CA-CD1 3.45Å; L192-W1177 HydrophobicContact CB-CD2 4.2Å; L192-W1177 HydrophobicContact CB-CG 4.17Å; L192-W1177 HydrophobicContact CD1-CH2 4.39Å; L192-W1177 HydrophobicContact CD1-CZ2 4.39Å; L192-W1177 HydrophobicContact CD2-CD2 4.15Å; L192-W1177 HydrophobicContact CD2-CH2 4.09Å; L192-W1177 HydrophobicContact CD2-CZ2 3.34Å; L192-W1177 HydrophobicContact CG-CD2 3.6Å; L192-W1177 HydrophobicContact CG-CE3 4.03Å; L192-W1177 HydrophobicContact CG-CG 4.09Å; L192-W1177 HydrophobicContact CG-CH2 4.02Å; L192-W1177 HydrophobicContact CG-CZ2 3.61Å; L192-W1177 HydrophobicContact CG-CZ3 4.24Å; L192-W1177 VanDerWaalsContact N-CB 3.33Å; L192-E1180 WeakPolarHBondContact CA-OE2 3.44Å; L192-E1180 PolarHBondContact N-OE2 3.01Å
193	E	32.1	Very low	28	Very low	67 Å²	67	86.5 Å²	86.5	31%	0.313	42%	0.419	S	S	.	.			trans	87.5	142.5	138.3	-133	161.4	-126	0	0	116.7	K1108	E193-K1108 WeakPolarHBondContact OE2-CE 3.21Å; E193-K1108 IonicContact OE2-NZ 3.58Å; E193-K1108 PolarHBondContact OE2-NZ 2.83Å
194	R	26.4	Very low	28	Very low	231 Å²	231	93.1 Å²	93.1	87%	0.872	45%	0.449	S	S	*	.			cis	173	143.6	-15.6	176.1	-177.5	-170.3	-176.2	5.3	106
195	G	25.9	Very low	27.9	Very low	68 Å²	68	93.5 Å²	93.5	70%	0.701	47%	0.467	S	S	*	.			trans	160	99.5	167.8	0	0	0	0	0	119
196	E	26.1	Very low	27.7	Very low	149 Å²	149	104.9 Å²	104.9	70%	0.696	51%	0.511	S	S	*	.			trans	35.9	112.9	140.1	-58.5	-145.3	94.7	0	0	123.8
197	R	23.1	Very low	27.4	Very low	213 Å²	213	109.6 Å²	109.6	80%	0.804	54%	0.543	S	S	*	.				65.2	149.5	116.8	-67.5	-178.2	166.6	147.2	-13	122.7
198	S	24.5	Very low	27.2	Very low	120 Å²	120	117.3 Å²	117.3	84%	0.839	58%	0.579	S	S	*	*			trans	70.8	150.6	159.3	80	0	0	0	0	116.2
199	E	23.6	Very low	26.9	Very low	142 Å²	142	126.9 Å²	126.9	66%	0.664	62%	0.616	S	S	*	*			cis	-161.1	163.4	-37.8	-136.5	-165.7	-146	0	0	107.8
200	R	23.4	Very low	26.7	Very low	196 Å²	196	134.7 Å²	134.7	74%	0.74	66%	0.655	S	S	*	*			trans	48.1	105.3	153.8	-73.4	-177.1	167.2	117.3	-6.2	120.7
201	S	24.7	Very low	26.6	Very low	96 Å²	96	139.3 Å²	139.3	67%	0.671	69%	0.688	S	S	*	*				100.5	139.9	105.1	78.8	0	0	0	0	121.5
202	Q	25.6	Very low	26.5	Very low	185 Å²	185	151.2 Å²	151.2	86%	0.864	73%	0.733	S	S	*	*			trans	57.5	128.3	154.7	-62	173.2	22.3	0	0	117.1
203	R	24.5	Very low	26.3	Very low	234 Å²	234	154.6 Å²	154.6	88%	0.883	77%	0.771	S	S	*	*				-178.2	142.8	62.9	-177.7	176.9	-174.6	167.6	1.6	111.1
204	D	29.2	Very low	26.1	Very low	164 Å²	164	156.3 Å²	156.3	88%	0.877	79%	0.79	S	S	*	*			trans	-66.7	142.3	175	-58.5	-80.3	0	0	0	113.2
205	G	24.5	Very low	26.2	Very low	69 Å²	69	154.3 Å²	154.3	71%	0.711	79%	0.788	S	S	*	*			trans	-148.9	22.9	-154.8	0	0	0	0	0	119.7
206	W	24.5	Very low	26.4	Very low	239 Å²	239	161.5 Å²	161.5	91%	0.905	79%	0.794	S	S	*	*			trans	68.2	162.3	162.2	-73.9	31.8	0	0	0	119.4
207	S	25.4	Very low	26.6	Very low	113 Å²	113	161 Å²	161	79%	0.79	80%	0.796	S	S	*	*			trans	-137.3	149.5	161	56.1	0	0	0	0	109.5
208	E	27.6	Very low	26.8	Very low	162 Å²	162	159.5 Å²	159.5	76%	0.757	80%	0.798	S	S	*	*			trans	-95.2	115.4	179.1	-73.4	-144.3	104.4	0	0	113.3
209	R	26.3	Very low	27.6	Very low	202 Å²	202	159.2 Å²	159.2	76%	0.762	79%	0.794	S	S	*	*				34.4	141.1	124.4	-62.8	176.5	168.7	-169.3	-1.1	120.4
210	I	27.8	Very low	27.7	Very low	163 Å²	163	157.2 Å²	157.2	84%	0.836	80%	0.801	S	S	*	*				-152.1	148.9	116.8	-106.2	155.8	0	0	0	110.8
211	S	29.2	Very low	28.3	Very low	98 Å²	98	154.3 Å²	154.3	69%	0.685	81%	0.805	S	S	*	*			trans	28.9	110.1	167.9	-63.9	0	0	0	0	120.8
212	R	29.6	Very low	29	Very low	251 Å²	251	155.9 Å²	155.9	95%	0.947	81%	0.813	S	S	*	*				72.7	109.9	76.5	-75.3	-179.4	170.3	-177	-1.6	115.2
213	G	27.9	Very low	29.3	Very low	85 Å²	85	155.3 Å²	155.3	88%	0.876	81%	0.81	S	S	*	*			trans	-177.8	50.8	177.3	0	0	0	0	0	118.6
214	S	28.6	Very low	29.4	Very low	102 Å²	102	151.9 Å²	151.9	71%	0.713	81%	0.81	S	S	*	*			trans	-4.4	126.9	168.6	169.3	0	0	0	0	122.2
215	K	28.6	Very low	29.3	Very low	190 Å²	190	155.1 Å²	155.1	83%	0.826	81%	0.81	S	S	*	*			trans	79.4	129.8	146.9	-76.7	175.1	-177.6	179.5	0	121.3
216	R	29.3	Very low	30.6	Very low	219 Å²	219	157.3 Å²	157.3	83%	0.826	81%	0.811	S	S	*	*				38.5	141	126.8	-85.6	-169.9	177.1	-171.3	0.3	119.7
217	D	30.2	Very low	30.7	Very low	137 Å²	137	156.6 Å²	156.6	73%	0.733	81%	0.808	S	S	*	*			cis	-144.8	-177	19.5	-83	-55	0	0	0	112
218	E	27.2	Very low	30.8	Very low	183 Å²	183	157.6 Å²	157.6	86%	0.855	81%	0.805	S	S	*	*			trans	-76.2	-178.8	163.8	-45.8	-174.5	118.6	0	0	111.5
219	P	42.8	Very low	30.8	Very low	114 Å²	114	153.1 Å²	153.1	74%	0.74	80%	0.802	S	S	*	*			cis	-136.1	-177	-4.6	41.1	-23	0	0	0	116
220	A	25.6	Very low	30.9	Very low	99 Å²	99	153.7 Å²	153.7	82%	0.818	81%	0.811	S	S	*	*			trans	70.5	148.8	149.5	0	0	0	0	0	121.4
221	T	34.8	Very low	31	Very low	135 Å²	135	152 Å²	152	83%	0.828	81%	0.808	S	S	*	*			trans	-90.7	161	169.3	50.7	0	0	0	0	111.1
222	P	40.3	Very low	31.7	Very low	129 Å²	129	153 Å²	153	84%	0.838	81%	0.812	S	S	*	*				-142.9	-176.4	108.4	38.3	-24.3	0	0	0	114.8
223	Q	31.1	Very low	31.6	Very low	173 Å²	173	146 Å²	146	81%	0.808	80%	0.802	S	S	*	*			trans	-73.1	157.7	-174.7	-57.4	159.5	-32.6	0	0	113.7
224	N	28.1	Very low	31.8	Very low	162 Å²	162	153.4 Å²	153.4	87%	0.866	80%	0.803	S	S	*	*				-166.3	157.4	124.5	-102.3	-35.2	0	0	0	114.7
225	R	26	Very low	31.8	Very low	233 Å²	233	153 Å²	153	88%	0.879	80%	0.801	S	S	*	*			trans	-130.5	176.5	167.3	-78.5	-177.4	169.3	-176.9	-2.6	106.9
226	P	52.8	Low	31.6	Very low	114 Å²	114	150.5 Å²	150.5	74%	0.74	80%	0.797	S	S	*	*				-128.9	173.2	-53.9	38.6	-25.1	0	0	0	111.3
227	R	26.3	Very low	31.5	Very low	224 Å²	224	149.9 Å²	149.9	85%	0.845	79%	0.794	S	S	*	*			trans	-173.7	142.3	137.4	-113.2	-167.3	149	143.4	-0.4	117.2
228	D	27.1	Very low	31.3	Very low	134 Å²	134	149.3 Å²	149.3	72%	0.717	79%	0.791	S	S	*	*			trans	6.1	131.2	144.9	-38.3	-29	0	0	0	120
229	G	27.7	Very low	31.3	Very low	69 Å²	69	148.1 Å²	148.1	71%	0.711	79%	0.786	S	S	*	*			trans	176.5	88.8	167.3	0	0	0	0	0	117.4
230	F	28.8	Very low	30.6	Very low	213 Å²	213	149.8 Å²	149.8	93%	0.934	79%	0.788	S	S	*	*			trans	49.3	99.2	155.4	-71.1	-87.4	0	0	0	121.8
231	T	29.3	Very low	30.6	Very low	128 Å²	128	151.7 Å²	151.7	79%	0.785	79%	0.785	S	S	*	*				-66.6	172.8	129.1	23.5	0	0	0	0	110.6
232	P	43.2	Very low	30.2	Very low	119 Å²	119	150.6 Å²	150.6	77%	0.773	78%	0.782	S	S	*	*			cis	-142.5	163.7	21.3	41.8	-23.7	0	0	0	118.4
233	S	28.3	Very low	29.5	Very low	104 Å²	104	148 Å²	148	73%	0.727	78%	0.779	S	S	*	*			trans	-170.9	118.8	130.5	56.7	0	0	0	0	114.2
234	R	31.9	Very low	29.2	Very low	240 Å²	240	151.3 Å²	151.3	91%	0.906	79%	0.786	S	S	*	*			trans	59.2	145	136.9	-68.9	-178.2	168.7	169.3	-5.1	120.7
235	S	28.7	Very low	29.1	Very low	95 Å²	95	146.8 Å²	146.8	66%	0.664	78%	0.777	S	S	*	*			cis	-170	153.9	-9.5	45.3	0	0	0	0	112.3
236	N	24.7	Very low	29.2	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	78%	0.777	S	S	*	*			trans	25.8	145.1	138	-70.6	55.2	0	0	0	122.8
237	W	27.3	Very low	27.9	Very low	206 Å²	206	140.3 Å²	140.3	78%	0.78	77%	0.771	S	S	*	*			cis	-167.7	-164.4	-17.7	-130	70.5	0	0	0	106.1
238	D	26	Very low	27.8	Very low	124 Å²	124	133.9 Å²	133.9	66%	0.663	75%	0.746	S	S	*	*			trans	71	136.5	164.1	-41	-37.1	0	0	0	116.7
239	E	26.8	Very low	27.6	Very low	158 Å²	158	131.3 Å²	131.3	74%	0.738	73%	0.73	S	S	*	*			cis	-156.4	158.2	-12.3	-124.7	170	-174.8	0	0	109.3
240	D	27.1	Very low	27.5	Very low	149 Å²	149	130.9 Å²	130.9	80%	0.797	72%	0.716	S	S	*	*			trans	26.8	146.1	147.3	-68.7	11.6	0	0	0	122.4
241	D	26.5	Very low	27.5	Very low	139 Å²	139	125.1 Å²	125.1	74%	0.743	69%	0.692	S	S	*	*			cis	-168.1	164.2	-5.4	168.6	44.3	0	0	0	108.5
242	S	26.6	Very low	27.3	Very low	112 Å²	112	125.6 Å²	125.6	78%	0.783	68%	0.68	S	S	*	*			trans	67.3	175.9	166	85.2	0	0	0	0	116.9
243	G	25.1	Very low	26.5	Very low	74 Å²	74	126.6 Å²	126.6	76%	0.763	67%	0.674	S	S	*	*			trans	123	84	174.2	0	0	0	0	0	115.1
244	Y	26.1	Very low	26.4	Very low	243 Å²	243	124.4 Å²	124.4	95%	0.953	66%	0.659	S	S	*	*			trans	-63.1	158.5	170.7	-131.7	-106.6	0	0	0	112.2
245	G	24.3	Very low	26.3	Very low	67 Å²	67	118.3 Å²	118.3	69%	0.691	65%	0.65	S	S	*	*			trans	97.6	80.5	143.7	0	0	0	0	0	118.1
246	S	29.1	Very low	26.5	Very low	123 Å²	123	116 Å²	116	86%	0.86	63%	0.634	S	S	*	*			trans	-9.5	130.8	145.1	179	0	0	0	0	117.4
247	S	26.1	Very low	27.1	Very low	88 Å²	88	113.3 Å²	113.3	62%	0.615	62%	0.624	S	S	*	*				-147.2	127.8	128.1	72.8	0	0	0	0	113.3
248	R	23.8	Very low	27.2	Very low	89 Å²	89	104 Å²	104	34%	0.336	59%	0.59	S	S	.	*				165.1	122.4	105.2	-91.9	139.8	144.4	-170.6	-6.4	112.4	R1199	R248-R1199 VanDerWaalsContact CB-CZ 3.41Å; R248-R1199 VanDerWaalsContact CB-NH1 3.28Å; R248-R1199 HydrophobicContact CG-CG 4.44Å; R248-R1199 PolarHBondContact O-NH1 3.24Å
249	H	23.1	Very low	27.2	Very low	81 Å²	81	103.9 Å²	103.9	38%	0.375	59%	0.589	S	S	.	*			trans	85.2	160	135.2	-61	7.4	0	0	0	119.6	R1195 R1199	H249-R1195 HydrophobicContact CB-CG 4.06Å; H249-R1195 PolarHBondContact CD2-O 3.16Å; H249-R1195 PolarHBondContact ND1-NE 3.45Å; H249-R1195 PolarHBondContact NE2-O 2.99Å; H249-R1199 WeakPolarHBondContact CD2-CB 3.37Å; H249-R1199 WeakPolarHBondContact NE2-CA 3.28Å; H249-R1199 WeakPolarHBondContact NE2-CB 3.27Å; H249-R1199 PolarHBondContact NE2-N 2.94Å
250	S	25.8	Very low	27.1	Very low	60 Å²	60	97.8 Å²	97.8	42%	0.42	57%	0.565	S	S	.	*			cis	-141.2	149.2	7.4	-38.8	0	0	0	0	113.8
251	Q	27.5	Very low	27.2	Very low	91 Å²	91	97.9 Å²	97.9	43%	0.425	56%	0.56	S	S	.	*			trans	-95.9	145.2	163.2	-72.9	162.4	-39.2	0	0	110.3	R1195	Q251-R1195 HydrophobicContact CB-CB 4.16Å; Q251-R1195 PolarHBondContact O-N 3.16Å
252	W	25.2	Very low	27.1	Very low	139 Å²	139	99.2 Å²	99.2	53%	0.527	55%	0.554	S	S	.	*				-116.6	-169.3	115.6	-60	77.2	0	0	0	105.1	G1192 K1193 S1194	W252-G1192 VanDerWaalsContact CE3-CA 3.48Å; W252-G1192 VanDerWaalsContact CZ3-O 3.25Å; W252-G1192 WeakPolarHBondContact CZ3-O 3.2Å; W252-K1193 VanDerWaalsContact CE3-N 3.32Å; W252-K1193 VanDerWaalsContact CZ3-CA 3.45Å; W252-S1194 VanDerWaalsContact CE2-CB 3.48Å; W252-S1194 VanDerWaalsContact NE1-CA 3.3Å
253	E	27.3	Very low	27	Very low	139 Å²	139	100.4 Å²	100.4	65%	0.65	55%	0.548	S	S	*	.			cis	-153	-178.3	-0.9	-153.4	125.2	-156.1	0	0	109.4	A1191	E253-A1191 CarbonylContact C-O 3.54Å; E253-A1191 WeakPolarHBondContact CA-O 3.28Å
254	S	25.8	Very low	27	Very low	59 Å²	59	101.5 Å²	101.5	41%	0.413	54%	0.544	S	S	.	.			trans	-136.4	-172.5	175.2	61.1	0	0	0	0	109.2	A1191 G1192	S254-A1191 VanDerWaalsContact CB-CB 3.44Å; S254-A1191 WeakPolarHBondContact OG-CB 3.14Å; S254-G1192 PolarHBondContact OG-N 2.99Å
255	P	30.7	Very low	26.9	Very low	112 Å²	112	97 Å²	97	73%	0.727	54%	0.536	S	S	*	.			cis	-131.6	-177.8	-7.6	42.2	-25.6	0	0	0	114.1
256	S	32.6	Very low	26.9	Very low	46 Å²	46	105.8 Å²	105.8	32%	0.322	55%	0.548	S	S	.	.			trans	-73.8	164.9	152.1	-29.6	0	0	0	0	109.3	E428	S256-E428 PolarHBondContact OG-OE2 3.15Å
257	P	37.5	Very low	26.8	Very low	81 Å²	81	105.3 Å²	105.3	53%	0.526	55%	0.545	S	S	.	.				-148.5	140.7	75.4	37.7	-18.2	0	0	0	115.6	D424 E429	P257-D424 VanDerWaalsContact C-OD2 3.29Å; P257-E429 HydrophobicContact CB-CG 4.37Å
258	A	28.1	Very low	26.8	Very low	9 Å²	9	110.7 Å²	110.7	7%	0.074	56%	0.56	C	S	.	*				41.7	149.6	89.9	0	0	0	0	0	118.3	D424 D426 E428 E429	A258-D424 CarbonylContact C-O 3.59Å; A258-D424 WeakPolarHBondContact CA-O 3.46Å; A258-D424 PolarHBondContact N-OD2 3.18Å; A258-D426 WeakPolarHBondContact CA-O 3.43Å; A258-D426 WeakPolarHBondContact CB-O 3.3Å; A258-E428 HydrophobicContact CB-CB 4.09Å; A258-E429 HydrophobicContact CB-CB 3.83Å; A258-E429 HydrophobicContact CB-CG 4.44Å
259	L	25.9	Very low	26.8	Very low	122 Å²	122	117.4 Å²	117.4	64%	0.639	59%	0.586	S	S	*	*			trans	-154.8	139.2	135.5	-119.6	166.8	0	0	0	112.2	D424 E429	L259-D424 PolarHBondContact N-O 2.9Å; L259-E429 WeakPolarHBondContact CD2-OE2 3.45Å
260	S	26	Very low	26.9	Very low	31 Å²	31	117.7 Å²	117.7	22%	0.217	60%	0.597	C	S	.	*			trans	-124.9	149.6	169.1	75.5	0	0	0	0	110.1	F427	S260-F427 VanDerWaalsContact CB-CE1 3.47Å
261	H	27.9	Very low	26.9	Very low	151 Å²	151	122 Å²	122	70%	0.699	61%	0.61	S	S	*	*			trans	162.2	151.7	155.4	-96.9	31.7	0	0	0	111.2
262	R	25.1	Very low	26.7	Very low	166 Å²	166	128.3 Å²	128.3	63%	0.626	63%	0.63	S	S	*	*			cis	-167.5	179.4	-18.7	-138.9	-172.2	168.2	158.7	-35.4	110.4
263	E	24.4	Very low	26.7	Very low	138 Å²	138	127.1 Å²	127.1	65%	0.645	64%	0.642	S	S	*	*			trans	5.2	149.7	139.3	-75.3	164.2	-152	0	0	119.7
264	S	24.4	Very low	26.6	Very low	97 Å²	97	124.1 Å²	124.1	68%	0.678	65%	0.649	S	S	*	*			cis	-175.2	163.1	-2.4	50.6	0	0	0	0	110.4
265	D	24.1	Very low	26.6	Very low	149 Å²	149	131.9 Å²	131.9	80%	0.797	67%	0.669	S	S	*	*			trans	28.2	120.7	152.2	-72.1	-23.8	0	0	0	120.8
266	R	24.3	Very low	26.3	Very low	251 Å²	251	133.5 Å²	133.5	95%	0.947	67%	0.667	S	S	*	*				-163.9	129.9	113.5	-104.8	158.7	-162.9	-154.4	3.6	113
267	S	27.1	Very low	26	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	69%	0.688	S	S	*	*			trans	-89.8	128.6	169.7	58.9	0	0	0	0	111.3
268	E	25.8	Very low	25.6	Very low	200 Å²	200	138.6 Å²	138.6	94%	0.935	69%	0.691	S	S	*	*			trans	-154.4	163.1	152.3	-133.1	166.8	-153.5	0	0	112.6
269	R	24.4	Very low	25.5	Very low	231 Å²	231	147.6 Å²	147.6	87%	0.872	72%	0.723	S	S	*	*			trans	-105	125.8	-166.2	-79.3	179.3	168	168.2	-4.3	113.6
270	S	24.8	Very low	25.5	Very low	86 Å²	86	152.1 Å²	152.1	60%	0.601	73%	0.732	S	S	*	*			trans	69.4	145.9	133	71.5	0	0	0	0	122.2
271	H	24.9	Very low	25.5	Very low	151 Å²	151	155.7 Å²	155.7	70%	0.699	75%	0.748	S	S	*	*			trans	87.7	114.4	151.6	-57.4	-42.6	0	0	0	121
272	R	23.3	Very low	25.6	Very low	224 Å²	224	159.5 Å²	159.5	85%	0.845	76%	0.756	S	S	*	*				69.7	150.6	127.8	-69.5	177.9	176	173.9	-1.2	117.8
273	S	25.2	Very low	25.7	Very low	113 Å²	113	156.3 Å²	156.3	79%	0.79	76%	0.76	S	S	*	*			cis	-171.4	153	-9.9	44.7	0	0	0	0	111.1
274	G	25.8	Very low	25.9	Very low	77 Å²	77	156.4 Å²	156.4	79%	0.794	77%	0.769	S	S	*	*			trans	120.2	151.3	166.4	0	0	0	0	0	113.7
275	R	26	Very low	26.1	Very low	221 Å²	221	163.4 Å²	163.4	83%	0.834	78%	0.781	S	S	*	*			cis	-155	158.8	-2.3	-162.8	171.4	179.5	176.1	1.1	111.8
276	E	24	Very low	26.3	Very low	147 Å²	147	159.7 Å²	159.7	69%	0.687	78%	0.778	S	S	*	*			trans	-21.3	146.5	164.4	-61.9	154.7	121.9	0	0	116.1
277	S	26.8	Very low	26.5	Very low	108 Å²	108	159 Å²	159	76%	0.755	78%	0.776	S	S	*	*			cis	-171.2	-169.3	2.3	51.1	0	0	0	0	108.8
278	E	28.3	Very low	26.5	Very low	125 Å²	125	163.3 Å²	163.3	58%	0.584	78%	0.776	S	S	*	*			cis	-154.5	177.1	12.9	-118.4	-140	133.4	0	0	110.6
279	R	26.6	Very low	26.7	Very low	198 Å²	198	159.1 Å²	159.1	75%	0.747	76%	0.764	S	S	*	*			trans	32.3	134.2	153.1	-64.9	176.7	-163.5	163.2	26.5	120.1
280	R	26	Very low	26.9	Very low	218 Å²	218	155 Å²	155	82%	0.823	76%	0.759	S	S	*	*			cis	-165.6	153.7	42.6	-140.2	-173.1	-167.9	145.8	2.5	113.9
281	D	26.3	Very low	27.2	Very low	106 Å²	106	157.9 Å²	157.9	57%	0.567	77%	0.768	S	S	*	*			trans	53.8	118	155.1	-77.2	-56.1	0	0	0	123.7
282	R	28.8	Very low	27.4	Very low	230 Å²	230	157.1 Å²	157.1	87%	0.868	77%	0.774	S	S	*	*				46.9	142.1	122	-66.1	175.4	176.5	170.6	-2.8	121.3
283	S	28.3	Very low	29.2	Very low	100 Å²	100	151.8 Å²	151.8	70%	0.699	77%	0.769	S	S	*	*			cis	-167.3	129.4	-1.3	47.5	0	0	0	0	115.3
284	V	29.4	Very low	29.4	Very low	139 Å²	139	154.1 Å²	154.1	84%	0.842	77%	0.771	S	S	*	*				50.5	134.6	123.9	-169.2	0	0	0	0	122.5
285	R	27.3	Very low	29.8	Very low	244 Å²	244	156 Å²	156	92%	0.921	77%	0.769	S	S	*	*			trans	-38.9	164.6	162.8	-60.8	169.1	176.1	173.4	-4.6	115.5
286	G	29.9	Very low	30.3	Very low	72 Å²	72	152.1 Å²	152.1	74%	0.742	77%	0.771	S	S	*	*			cis	120	152.8	15.8	0	0	0	0	0	111.4
287	R	26.4	Very low	30.9	Very low	237 Å²	237	150.4 Å²	150.4	89%	0.894	77%	0.772	S	S	*	*			trans	-152.8	134.5	176.7	-99.7	-178.8	-172.7	-135.5	-2.4	114.9
288	Y	27.2	Very low	31	Very low	203 Å²	203	150.5 Å²	150.5	80%	0.796	77%	0.773	S	S	*	*				38.6	117	125	-73.8	-104.5	0	0	0	118.4
289	T	30.7	Very low	31.4	Very low	111 Å²	111	154.8 Å²	154.8	68%	0.681	79%	0.785	S	S	*	*				78.2	131.3	51.6	73.5	0	0	0	0	115.5
290	D	28.7	Very low	31.7	Very low	144 Å²	144	154.9 Å²	154.9	77%	0.77	79%	0.791	S	S	*	*				178.2	159.9	111.1	-86.1	12	0	0	0	111.4
291	D	30.9	Very low	31.9	Very low	148 Å²	148	154.6 Å²	154.6	79%	0.791	79%	0.791	S	S	*	*			trans	-71.8	167	-179.4	-51.9	-83.7	0	0	0	113.2
292	T	29.8	Very low	32.2	Very low	135 Å²	135	155.6 Å²	155.6	83%	0.828	80%	0.797	S	S	*	*			cis	-167.9	178.2	46.6	11.3	0	0	0	0	110.5
293	P	60.4	Low	32.4	Very low	112 Å²	112	153.1 Å²	153.1	73%	0.727	80%	0.795	S	S	*	*			trans	-112	-171.4	-149.7	43.5	-40.4	0	0	0	119.1
294	L	29.4	Very low	32.7	Very low	161 Å²	161	158.7 Å²	158.7	84%	0.843	80%	0.801	S	S	*	*			trans	83.5	158.8	172	-59	170	0	0	0	117.2
295	P	34.4	Very low	33	Very low	116 Å²	116	156.1 Å²	156.1	75%	0.753	79%	0.794	S	S	*	*			cis	-129.8	178.9	-33.6	36.9	-20.7	0	0	0	113.5
296	T	37.1	Very low	33.3	Very low	141 Å²	141	152 Å²	152	87%	0.865	79%	0.79	S	S	*	*			trans	-97.4	150.9	176.5	53	0	0	0	0	114.3
297	P	37.1	Very low	33.6	Very low	110 Å²	110	155.7 Å²	155.7	71%	0.714	79%	0.793	S	S	*	*			trans	-125.4	129.8	163.9	37.1	-24.3	0	0	0	115.2
298	S	27.9	Very low	34	Very low	110 Å²	110	156.5 Å²	156.5	77%	0.769	80%	0.796	S	S	*	*			trans	53.4	106.6	142.6	67	0	0	0	0	122.7
299	Y	37.3	Very low	34.2	Very low	216 Å²	216	156.1 Å²	156.1	85%	0.847	80%	0.799	S	S	*	*				50.9	105.4	109.6	-150.7	-82.7	0	0	0	120.4
300	K	32	Very low	34.3	Very low	199 Å²	199	159.6 Å²	159.6	87%	0.865	81%	0.807	S	S	*	*			trans	-163	153	132.9	-113.4	165.8	-173.4	176.1	0	112.8
301	Y	30	Very low	34.3	Very low	213 Å²	213	160.6 Å²	160.6	84%	0.835	81%	0.811	S	S	*	*			trans	-67.6	154.8	170.9	-110.6	-111.6	0	0	0	111.2
302	N	33.1	Very low	34.6	Very low	126 Å²	126	157.9 Å²	157.9	67%	0.674	82%	0.819	S	S	*	*			trans	-146.4	124.3	169.9	-150.7	0.8	0	0	0	109.9	W304	N302-W304 VanDerWaalsContact C-N 3.31Å; N302-W304 PolarHBondContact O-N 3.19Å
303	E	33.6	Very low	34.8	Very low	179 Å²	179	155.6 Å²	155.6	84%	0.836	81%	0.808	S	S	*	*	G	3₁₀ helix	trans	-85.2	9.5	-153.9	-61.6	177	117.9	0	0	115.5	A305	E303-A305 VanDerWaalsContact C-N 3.35Å; E303-A305 PolarHBondContact O-N 2.9Å
304	W	33.9	Very low	33.3	Very low	216 Å²	216	156.9 Å²	156.9	82%	0.818	81%	0.814	S	S	*	*	G	3₁₀ helix	trans	-83	-1	-169.2	72.2	-80.3	0	0	0	115.7	N302 N306	N302-W304 VanDerWaalsContact C-N 3.31Å; N302-W304 PolarHBondContact O-N 3.19Å; W304-N306 PolarHBondContact O-N 3.32Å
305	A	36.2	Very low	33.5	Very low	85 Å²	85	155.4 Å²	155.4	70%	0.702	81%	0.814	S	S	*	*	G	3₁₀ helix	trans	-83.2	-0.1	-169.3	0	0	0	0	0	115.8	E303 D307	E303-A305 VanDerWaalsContact C-N 3.35Å; E303-A305 PolarHBondContact O-N 2.9Å; A305-D307 PolarHBondContact O-N 2.89Å
306	N	33.6	Very low	33.2	Very low	157 Å²	157	161.6 Å²	161.6	84%	0.84	82%	0.822	S	S	*	*	G	3₁₀ helix	trans	-80.9	-7.2	-168.1	-91.5	-9.6	0	0	0	116.4	W304	W304-N306 PolarHBondContact O-N 3.32Å
307	D	35.7	Very low	32.9	Very low	151 Å²	151	160.5 Å²	160.5	81%	0.807	81%	0.811	S	S	*	*			trans	-127.4	83.5	-174.3	-95.9	-53.8	0	0	0	114.2	A305	A305-D307 PolarHBondContact O-N 2.89Å
308	R	34.3	Very low	32.7	Very low	253 Å²	253	160.9 Å²	160.9	96%	0.955	82%	0.816	S	S	*	*			trans	-164.5	151.6	146.1	-105	152.6	-150.9	-133.6	3.6	112
309	K	32.8	Very low	32.8	Very low	195 Å²	195	165 Å²	165	85%	0.848	82%	0.823	S	S	*	*			trans	-94.2	146	-166.3	-69.8	178.7	177.9	176.1	0	114.1
310	H	31.1	Very low	32.6	Very low	185 Å²	185	158.1 Å²	158.1	86%	0.856	82%	0.818	S	S	*	*			trans	10.6	117	151.9	-61.2	-74.6	0	0	0	119.5
311	L	29.9	Very low	32.3	Very low	164 Å²	164	159.1 Å²	159.1	86%	0.859	82%	0.822	S	S	*	*			trans	-126.7	144.5	132.4	-89.4	166	0	0	0	108.2	S313	L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 2.83Å
312	G	36.7	Very low	32.2	Very low	92 Å²	92	152.4 Å²	152.4	95%	0.948	82%	0.818	S	S	*	*			trans	-85.5	45	-163.2	0	0	0	0	0	115.8
313	S	33.3	Very low	31.8	Very low	86 Å²	86	153.8 Å²	153.8	60%	0.601	82%	0.824	S	S	*	*			trans	-129.5	125.2	-175	53.6	0	0	0	0	111.3	L311	L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 2.83Å
314	T	29.7	Very low	31.8	Very low	139 Å²	139	152.5 Å²	152.5	85%	0.853	82%	0.821	S	S	*	*			trans	64.4	118.7	-172.9	72.8	0	0	0	0	116.6
315	P	33.1	Very low	31.6	Very low	130 Å²	130	150.3 Å²	150.3	84%	0.844	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-89.2	138.2	168.8	34.3	-30.4	0	0	0	110.9
316	R	28.2	Very low	31.4	Very low	246 Å²	246	158 Å²	158	93%	0.928	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-97.1	142.7	179.1	-134.9	-177.8	-171.9	-164.2	1.4	111.8
317	L	30.9	Very low	31.4	Very low	119 Å²	119	153.9 Å²	153.9	62%	0.623	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-63.6	148.9	166.2	-71.3	92.1	0	0	0	110.8	W345	L317-W345 HydrophobicContact CD1-CH2 4.23Å; L317-W345 HydrophobicContact CD2-CH2 4.1Å; L317-W345 HydrophobicContact CD2-CZ3 3.94Å
318	S	32.7	Very low	31.3	Very low	117 Å²	117	156.9 Å²	156.9	82%	0.818	84%	0.836	S	S	*	*			trans	-123.1	107.9	171	53.3	0	0	0	0	111
319	Q	30	Very low	31.3	Very low	196 Å²	196	155.1 Å²	155.1	92%	0.916	84%	0.835	S	S	*	*			trans	-73.4	124.1	161.9	-73.4	-172.5	-9.7	0	0	108.5
320	G	33.4	Very low	31.2	Very low	73 Å²	73	149.4 Å²	149.4	75%	0.753	83%	0.832	S	S	*	*			trans	-89.9	156.8	-171.7	0	0	0	0	0	115.2
321	K	27	Very low	31.7	Very low	220 Å²	220	150.5 Å²	150.5	96%	0.957	84%	0.837	S	S	*	*			trans	-158.5	127.3	160.6	-108	170.6	-177.3	172.3	0	108.6
322	G	26.5	Very low	32.2	Very low	72 Å²	72	146.8 Å²	146.8	74%	0.742	84%	0.839	S	S	*	*			trans	150.8	53	174.9	0	0	0	0	0	119.3
323	I	26.3	Very low	32	Very low	154 Å²	154	145.7 Å²	145.7	79%	0.79	83%	0.827	S	S	*	*			trans	48.2	105.3	143.5	-56.9	177.3	0	0	0	118.9
324	I	33.6	Very low	32.5	Very low	152 Å²	152	147.8 Å²	147.8	78%	0.779	83%	0.83	S	S	*	*			trans	48.2	109.3	138.4	-46.8	172.3	0	0	0	118.9
325	L	27.8	Very low	33.1	Very low	171 Å²	171	148.4 Å²	148.4	90%	0.895	83%	0.829	S	S	*	*				-166.9	167.7	121.3	-106.4	168.9	0	0	0	112.7
326	R	33.6	Very low	34	Very low	246 Å²	246	145.7 Å²	145.7	93%	0.928	80%	0.803	S	S	*	*			trans	-79	131.7	-171.7	-81.5	175.2	162.2	177.8	-5.4	113.9
327	G	33.9	Very low	34.9	Very low	71 Å²	71	141.3 Å²	141.3	73%	0.732	80%	0.798	S	S	*	*				106.1	75.4	124.4	0	0	0	0	0	119.8
328	K	31.6	Very low	36	Very low	214 Å²	214	140.5 Å²	140.5	93%	0.93	80%	0.795	S	S	*	*			trans	-170.4	139.4	140.8	-105	164.4	-177.1	-179.9	0	108.5
329	K	34.7	Very low	36.5	Very low	215 Å²	215	142.4 Å²	142.4	94%	0.935	79%	0.791	S	S	*	*			trans	-87.1	129.3	165.8	-86.5	-156.2	171.9	-157.9	0	108.8
330	G	30.5	Very low	37.6	Very low	75 Å²	75	138.4 Å²	138.4	77%	0.773	78%	0.776	S	S	*	*			trans	-117.6	152.9	159.1	0	0	0	0	0	108.7
331	E	42.3	Very low	38.6	Very low	208 Å²	208	139.7 Å²	139.7	97%	0.972	76%	0.762	S	S	*	*			trans	-84.1	144.4	179.3	-61.1	169.4	129.4	0	0	110.3
332	G	40	Very low	40.1	Very low	87 Å²	87	133 Å²	133	90%	0.897	73%	0.733	S	S	*	*			trans	161.1	24.5	179.5	0	0	0	0	0	117.8
333	G	32.7	Very low	41.3	Very low	68 Å²	68	135.7 Å²	135.7	70%	0.701	73%	0.726	S	S	*	*			trans	-140.9	156.4	177	0	0	0	0	0	111.6
334	I	44.6	Very low	42.7	Very low	131 Å²	131	134.2 Å²	134.2	67%	0.672	72%	0.716	S	S	*	*			trans	-91.8	113.7	168	-58	174.3	0	0	0	106.2	F336	I334-F336 HydrophobicContact CB-CE2 4.37Å; I334-F336 HydrophobicContact CG2-CD2 4.42Å; I334-F336 HydrophobicContact CG2-CE2 3.97Å; I334-F336 HydrophobicContact CG2-CZ 4.03Å
335	D	41.9	Very low	44	Very low	152 Å²	152	131 Å²	131	81%	0.813	69%	0.694	S	S	*	*			trans	-81.6	137.2	168.2	-71	-35.1	0	0	0	108.6
336	F	51.4	Low	45	Very low	72 Å²	72	126 Å²	126	32%	0.316	67%	0.666	S	S	.	*			trans	-109.4	137.6	171.1	-63.6	-95.6	0	0	0	108	I334 K342 W345	I334-F336 HydrophobicContact CB-CE2 4.37Å; I334-F336 HydrophobicContact CG2-CD2 4.42Å; I334-F336 HydrophobicContact CG2-CE2 3.97Å; I334-F336 HydrophobicContact CG2-CZ 4.03Å; F336-K342 HydrophobicContact CB-CB 4.24Å; F336-K342 HydrophobicContact CD2-CB 4.49Å; F336-K342 HydrophobicContact CD2-CG 4.37Å; F336-K342 HydrophobicContact CG-CB 4.2Å; F336-W345 HydrophobicContact CE1-CB 3.81Å; F336-W345 AromaticContact CE1-CD2 3.94Å; F336-W345 HydrophobicContact CE1-CD2 3.94Å; F336-W345 HydrophobicContact CE1-CE3 4.37Å; F336-W345 AromaticContact CE1-CG 3.67Å; F336-W345 HydrophobicContact CE1-CG 3.67Å; F336-W345 HydrophobicContact CE2-CE3 4.35Å; F336-W345 HydrophobicContact CZ-CB 4.27Å; F336-W345 AromaticContact CZ-CD2 3.52Å; F336-W345 HydrophobicContact CZ-CD2 3.52Å; F336-W345 AromaticContact CZ-CE3 3.66Å; F336-W345 HydrophobicContact CZ-CE3 3.66Å; F336-W345 AromaticContact CZ-CG 3.8Å; F336-W345 HydrophobicContact CZ-CG 3.8Å; F336-W345 HydrophobicContact CZ-CZ3 4.24Å
337	D	47.3	Very low	46	Very low	154 Å²	154	120.4 Å²	120.4	82%	0.824	65%	0.65	S	S	*	*	S	Bend	trans	-84.2	-21.5	-172.3	-82.3	-35.4	0	0	0	113.3
338	N	53.2	Low	46.9	Very low	102 Å²	102	122 Å²	122	55%	0.545	64%	0.642	S	S	.	*	S	Bend	trans	-131.9	155.7	174.2	-71.6	-54.3	0	0	0	112.4	E341 K342	N338-E341 HydrophobicContact CB-CG 4.33Å; N338-E341 PolarHBondContact O-N 3.1Å; N338-K342 PolarHBondContact O-N 2.89Å
339	E	43.9	Very low	47.9	Very low	157 Å²	157	116.1 Å²	116.1	73%	0.734	62%	0.618	S	S	*	*	H	α-helix	trans	-70.6	-37.6	178	-158.5	150.2	-137.7	0	0	111.6	E341 K342 E343	E339-E341 VanDerWaalsContact C-N 3.35Å; E339-E341 PolarHBondContact O-N 3.43Å; E339-K342 WeakPolarHBondContact O-CA 3.44Å; E339-K342 WeakPolarHBondContact O-CB 3.33Å; E339-K342 PolarHBondContact O-N 2.83Å; E339-E343 PolarHBondContact O-N 2.71Å
340	D	54	Low	48.8	Very low	112 Å²	112	112.1 Å²	112.1	60%	0.599	60%	0.601	S	S	*	*	H	α-helix	trans	-57.9	-40.7	173.3	-54.8	-19.4	0	0	0	113.1	K342 E343 Q344	D340-K342 VanDerWaalsContact C-N 3.26Å; D340-K342 PolarHBondContact O-N 3.24Å; D340-E343 PolarHBondContact O-N 2.84Å; D340-Q344 WeakPolarHBondContact O-CB 3.16Å; D340-Q344 WeakPolarHBondContact O-CG 3.39Å; D340-Q344 PolarHBondContact O-N 3.34Å
341	E	53	Low	49.7	Very low	100 Å²	100	113.2 Å²	113.2	47%	0.467	59%	0.586	S	S	.	*	H	α-helix	trans	-67.4	-31.1	177.6	-72.2	-172.6	140.8	0	0	111.5	N338 E339 W345	N338-E341 HydrophobicContact CB-CG 4.33Å; N338-E341 PolarHBondContact O-N 3.1Å; E339-E341 VanDerWaalsContact C-N 3.35Å; E339-E341 PolarHBondContact O-N 3.43Å; E341-W345 VanDerWaalsContact O-CB 3.28Å; E341-W345 WeakPolarHBondContact O-CB 3.33Å; E341-W345 PolarHBondContact O-N 3.23Å
342	K	59.8	Low	49.9	Very low	80 Å²	80	105.7 Å²	105.7	35%	0.348	56%	0.559	S	S	.	*	H	α-helix	trans	-76.3	-38.3	176.1	-177	-175	162.2	-61.5	0	111.5	F336 N338 E339 D340 W345 E346	F336-K342 HydrophobicContact CB-CB 4.24Å; F336-K342 HydrophobicContact CD2-CB 4.49Å; F336-K342 HydrophobicContact CD2-CG 4.37Å; F336-K342 HydrophobicContact CG-CB 4.2Å; N338-K342 PolarHBondContact O-N 2.89Å; E339-K342 WeakPolarHBondContact O-CA 3.44Å; E339-K342 WeakPolarHBondContact O-CB 3.33Å; E339-K342 PolarHBondContact O-N 2.83Å; D340-K342 VanDerWaalsContact C-N 3.26Å; D340-K342 PolarHBondContact O-N 3.24Å; K342-W345 PolarHBondContact O-N 2.88Å; K342-E346 WeakPolarHBondContact CE-OE1 3.28Å; K342-E346 IonicContact NZ-OE1 3.44Å; K342-E346 PolarHBondContact NZ-OE1 3.12Å; K342-E346 IonicContact NZ-OE2 3.78Å; K342-E346 WeakPolarHBondContact O-CB 3.48Å; K342-E346 WeakPolarHBondContact O-CG 3.38Å; K342-E346 PolarHBondContact O-N 2.74Å
343	E	51	Low	50.2	Low	129 Å²	129	105.8 Å²	105.8	60%	0.603	54%	0.539	S	S	*	.	H	α-helix	trans	-63.9	-47.7	171.8	-71	-154.7	133.1	0	0	111	E339 D340 W345 E346 E347	E339-E343 PolarHBondContact O-N 2.71Å; D340-E343 PolarHBondContact O-N 2.84Å; E343-W345 VanDerWaalsContact C-N 3.3Å; E343-W345 PolarHBondContact O-N 3.4Å; E343-E346 CarbonylContact O-C 3.58Å; E343-E346 PolarHBondContact O-N 2.82Å; E343-E346 VanDerWaalsContact O-N 3.11Å; E343-E347 WeakPolarHBondContact O-CG 3.47Å; E343-E347 PolarHBondContact O-N 3.36Å
344	Q	55.2	Low	51.1	Low	123 Å²	123	110.8 Å²	110.8	58%	0.575	54%	0.537	S	S	*	.	H	α-helix	trans	-57.9	-41.1	175.5	-73.1	171.9	19	0	0	112.3	D340 E347 D348	D340-Q344 WeakPolarHBondContact O-CB 3.16Å; D340-Q344 WeakPolarHBondContact O-CG 3.39Å; D340-Q344 PolarHBondContact O-N 3.34Å; Q344-E347 PolarHBondContact O-N 2.79Å; Q344-D348 WeakPolarHBondContact O-CB 3.45Å; Q344-D348 PolarHBondContact O-N 2.99Å
345	W	60.6	Low	51.3	Low	85 Å²	85	107.2 Å²	107.2	32%	0.322	52%	0.519	S	S	.	.	H	α-helix	trans	-70.2	-33.7	176.5	-175.5	83.7	0	0	0	113.3	L317 F336 E341 K342 E343 Q349	L317-W345 HydrophobicContact CD1-CH2 4.23Å; L317-W345 HydrophobicContact CD2-CH2 4.1Å; L317-W345 HydrophobicContact CD2-CZ3 3.94Å; F336-W345 HydrophobicContact CE1-CB 3.81Å; F336-W345 AromaticContact CE1-CD2 3.94Å; F336-W345 HydrophobicContact CE1-CD2 3.94Å; F336-W345 HydrophobicContact CE1-CE3 4.37Å; F336-W345 AromaticContact CE1-CG 3.67Å; F336-W345 HydrophobicContact CE1-CG 3.67Å; F336-W345 HydrophobicContact CE2-CE3 4.35Å; F336-W345 HydrophobicContact CZ-CB 4.27Å; F336-W345 AromaticContact CZ-CD2 3.52Å; F336-W345 HydrophobicContact CZ-CD2 3.52Å; F336-W345 AromaticContact CZ-CE3 3.66Å; F336-W345 HydrophobicContact CZ-CE3 3.66Å; F336-W345 AromaticContact CZ-CG 3.8Å; F336-W345 HydrophobicContact CZ-CG 3.8Å; F336-W345 HydrophobicContact CZ-CZ3 4.24Å; E341-W345 VanDerWaalsContact O-CB 3.28Å; E341-W345 WeakPolarHBondContact O-CB 3.33Å; E341-W345 PolarHBondContact O-N 3.23Å; K342-W345 PolarHBondContact O-N 2.88Å; E343-W345 VanDerWaalsContact C-N 3.3Å; E343-W345 PolarHBondContact O-N 3.4Å; W345-Q349 HydrophobicContact CD2-CG 4.27Å; W345-Q349 HydrophobicContact CE3-CG 4.41Å; W345-Q349 HydrophobicContact CH2-CG 4.17Å; W345-Q349 HydrophobicContact CZ2-CG 4.01Å; W345-Q349 HydrophobicContact CZ3-CG 4.36Å; W345-Q349 WeakPolarHBondContact O-CB 3.36Å; W345-Q349 VanDerWaalsContact O-CG 3.29Å; W345-Q349 WeakPolarHBondContact O-CG 3.46Å; W345-Q349 PolarHBondContact O-N 3.3Å
346	E	50.8	Low	51.5	Low	64 Å²	64	108.8 Å²	108.8	30%	0.299	51%	0.514	S	S	.	.	H	α-helix	trans	-74.1	-26.2	171.9	-76.8	-174.8	-155.9	0	0	113.1	K342 E343 K350	K342-E346 WeakPolarHBondContact CE-OE1 3.28Å; K342-E346 IonicContact NZ-OE1 3.44Å; K342-E346 PolarHBondContact NZ-OE1 3.12Å; K342-E346 IonicContact NZ-OE2 3.78Å; K342-E346 WeakPolarHBondContact O-CB 3.48Å; K342-E346 WeakPolarHBondContact O-CG 3.38Å; K342-E346 PolarHBondContact O-N 2.74Å; E343-E346 CarbonylContact O-C 3.58Å; E343-E346 PolarHBondContact O-N 2.82Å; E343-E346 VanDerWaalsContact O-N 3.11Å; E346-K350 WeakPolarHBondContact O-CD 3.35Å; E346-K350 VanDerWaalsContact O-CG 3.25Å; E346-K350 WeakPolarHBondContact O-CG 3.31Å; E346-K350 PolarHBondContact O-N 2.83Å; E346-K350 VanDerWaalsContact O-N 3.1Å
347	E	53	Low	51.2	Low	129 Å²	129	113.9 Å²	113.9	60%	0.603	53%	0.532	S	S	*	.	H	α-helix	trans	-74.1	-48	169.3	-71	-158.9	133	0	0	111.7	E343 Q344 Q349 K350 Q351	E343-E347 WeakPolarHBondContact O-CG 3.47Å; E343-E347 PolarHBondContact O-N 3.36Å; Q344-E347 PolarHBondContact O-N 2.79Å; E347-Q349 PolarHBondContact O-N 3.45Å; E347-K350 CarbonylContact O-C 3.58Å; E347-K350 PolarHBondContact O-N 2.9Å; E347-Q351 WeakPolarHBondContact O-CB 3.49Å; E347-Q351 PolarHBondContact O-N 3.43Å
348	D	52.6	Low	51.2	Low	104 Å²	104	112.4 Å²	112.4	56%	0.556	52%	0.522	S	S	*	.	H	α-helix	trans	-55.3	-39.2	172.6	-87.8	-5.9	0	0	0	111.5	Q344 A352	Q344-D348 WeakPolarHBondContact O-CB 3.45Å; Q344-D348 PolarHBondContact O-N 2.99Å; D348-A352 VanDerWaalsContact O-CB 3.29Å; D348-A352 WeakPolarHBondContact O-CB 3.47Å; D348-A352 PolarHBondContact O-N 3.25Å
349	Q	52.9	Low	50.8	Low	92 Å²	92	112 Å²	112	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-68.3	-42.3	173.8	-77.6	-73.7	-95.1	0	0	113.1	W345 E347 Q351 A352 D353	W345-Q349 HydrophobicContact CD2-CG 4.27Å; W345-Q349 HydrophobicContact CE3-CG 4.41Å; W345-Q349 HydrophobicContact CH2-CG 4.17Å; W345-Q349 HydrophobicContact CZ2-CG 4.01Å; W345-Q349 HydrophobicContact CZ3-CG 4.36Å; W345-Q349 WeakPolarHBondContact O-CB 3.36Å; W345-Q349 VanDerWaalsContact O-CG 3.29Å; W345-Q349 WeakPolarHBondContact O-CG 3.46Å; W345-Q349 PolarHBondContact O-N 3.3Å; E347-Q349 PolarHBondContact O-N 3.45Å; Q349-Q351 VanDerWaalsContact C-N 3.3Å; Q349-Q351 PolarHBondContact O-N 3.26Å; Q349-A352 PolarHBondContact O-N 2.76Å; Q349-D353 WeakPolarHBondContact O-CB 3.08Å; Q349-D353 PolarHBondContact O-N 3.44Å
350	K	54.6	Low	50.7	Low	130 Å²	130	112.4 Å²	112.4	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-64.7	-35.4	173.8	-76.2	164.7	-170.1	150.6	0	112.5	E346 E347 R354	E346-K350 WeakPolarHBondContact O-CD 3.35Å; E346-K350 VanDerWaalsContact O-CG 3.25Å; E346-K350 WeakPolarHBondContact O-CG 3.31Å; E346-K350 PolarHBondContact O-N 2.83Å; E346-K350 VanDerWaalsContact O-N 3.1Å; E347-K350 CarbonylContact O-C 3.58Å; E347-K350 PolarHBondContact O-N 2.9Å; K350-R354 WeakPolarHBondContact O-CB 3.33Å; K350-R354 PolarHBondContact O-N 3.46Å
351	Q	49.6	Very low	50.1	Low	99 Å²	99	114.7 Å²	114.7	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-69.7	-47	178.6	-165.2	69.5	8.9	0	0	109.7	E347 Q349 D353 R354 D355	E347-Q351 WeakPolarHBondContact O-CB 3.49Å; E347-Q351 PolarHBondContact O-N 3.43Å; Q349-Q351 VanDerWaalsContact C-N 3.3Å; Q349-Q351 PolarHBondContact O-N 3.26Å; Q351-D353 PolarHBondContact O-N 3.27Å; Q351-R354 WeakPolarHBondContact O-CB 3.28Å; Q351-R354 PolarHBondContact O-N 2.8Å; Q351-D355 WeakPolarHBondContact O-CB 3.45Å; Q351-D355 PolarHBondContact O-N 2.71Å
352	A	46.4	Very low	49.5	Very low	50 Å²	50	113.8 Å²	113.8	41%	0.413	55%	0.549	S	S	.	.	H	α-helix	trans	-61.8	-41.3	174	0	0	0	0	0	113.2	D348 Q349 D355 W356	D348-A352 VanDerWaalsContact O-CB 3.29Å; D348-A352 WeakPolarHBondContact O-CB 3.47Å; D348-A352 PolarHBondContact O-N 3.25Å; Q349-A352 PolarHBondContact O-N 2.76Å; A352-D355 PolarHBondContact O-N 3.42Å; A352-W356 VanDerWaalsContact O-CB 3.26Å; A352-W356 WeakPolarHBondContact O-CB 3.31Å; A352-W356 PolarHBondContact O-N 3.49Å
353	D	46.6	Very low	48.7	Very low	88 Å²	88	115.6 Å²	115.6	47%	0.471	56%	0.555	S	S	.	*	H	α-helix	trans	-63.3	-42.7	173.1	-108.1	13.5	0	0	0	110.8	Q349 Q351 W356 Y357	Q349-D353 WeakPolarHBondContact O-CB 3.08Å; Q349-D353 PolarHBondContact O-N 3.44Å; Q351-D353 PolarHBondContact O-N 3.27Å; D353-W356 PolarHBondContact O-N 2.86Å; D353-Y357 WeakPolarHBondContact O-CD2 3.41Å; D353-Y357 PolarHBondContact O-N 3.23Å
354	R	50.6	Low	48.4	Very low	174 Å²	174	116.1 Å²	116.1	66%	0.657	56%	0.562	S	S	*	*	H	α-helix	trans	-57.3	-55	173.9	-101.4	-178.9	159.2	-177	-6.7	111.5	K350 Q351 W356 Y357 M358	K350-R354 WeakPolarHBondContact O-CB 3.33Å; K350-R354 PolarHBondContact O-N 3.46Å; Q351-R354 WeakPolarHBondContact O-CB 3.28Å; Q351-R354 PolarHBondContact O-N 2.8Å; R354-W356 PolarHBondContact O-N 2.92Å; R354-Y357 CarbonylContact O-C 3.48Å; R354-Y357 PolarHBondContact O-N 2.83Å; R354-M358 VanDerWaalsContact O-CG 3.24Å; R354-M358 WeakPolarHBondContact O-CG 3.15Å; R354-M358 PolarHBondContact O-N 2.85Å
355	D	48.1	Very low	48	Very low	56 Å²	56	119 Å²	119	30%	0.299	58%	0.575	S	S	.	*	H	α-helix	trans	-62.5	-31.2	-177.4	-63.2	-19.8	0	0	0	110.9	Q351 A352 M358 M359	Q351-D355 WeakPolarHBondContact O-CB 3.45Å; Q351-D355 PolarHBondContact O-N 2.71Å; A352-D355 PolarHBondContact O-N 3.42Å; D355-M358 PolarHBondContact O-N 3.33Å; D355-M359 WeakPolarHBondContact O-CG 3.34Å; D355-M359 PolarHBondContact O-N 3.31Å
356	W	46.7	Very low	47.2	Very low	185 Å²	185	124.3 Å²	124.3	70%	0.701	60%	0.601	S	S	*	*	H	α-helix	trans	-71.3	-31.8	173.9	-166.4	29.8	0	0	0	113.7	A352 D353 R354	A352-W356 VanDerWaalsContact O-CB 3.26Å; A352-W356 WeakPolarHBondContact O-CB 3.31Å; A352-W356 PolarHBondContact O-N 3.49Å; D353-W356 PolarHBondContact O-N 2.86Å; R354-W356 PolarHBondContact O-N 2.92Å
357	Y	46.2	Very low	47.1	Very low	179 Å²	179	129 Å²	129	70%	0.702	62%	0.622	S	S	*	*	H	α-helix	trans	-82.5	-20.2	171.3	-75.1	-65.3	0	0	0	114	D353 R354 M359	D353-Y357 WeakPolarHBondContact O-CD2 3.41Å; D353-Y357 PolarHBondContact O-N 3.23Å; R354-Y357 CarbonylContact O-C 3.48Å; R354-Y357 PolarHBondContact O-N 2.83Å; Y357-M359 VanDerWaalsContact C-N 3.32Å
358	M	46.9	Very low	46.9	Very low	123 Å²	123	127 Å²	127	61%	0.606	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-83.7	-4.9	174.4	-62.4	-69.6	-70.3	0	0	113.1	R354 D355 D360	R354-M358 VanDerWaalsContact O-CG 3.24Å; R354-M358 WeakPolarHBondContact O-CG 3.15Å; R354-M358 PolarHBondContact O-N 2.85Å; D355-M358 PolarHBondContact O-N 3.33Å; M358-D360 VanDerWaalsContact C-N 3.25Å; M358-D360 PolarHBondContact O-N 3.25Å
359	M	44.4	Very low	46.5	Very low	94 Å²	94	125.1 Å²	125.1	46%	0.463	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-68.1	-13.5	179.6	-85.9	-89.1	164.4	0	0	115.5	D355 Y357 Y363 F370	D355-M359 WeakPolarHBondContact O-CG 3.34Å; D355-M359 PolarHBondContact O-N 3.31Å; Y357-M359 VanDerWaalsContact C-N 3.32Å; M359-Y363 HydrophobicContact CE-CE2 3.83Å; M359-Y363 HydrophobicContact SD-CE2 3.85Å; M359-F370 HydrophobicContact CE-CE2 4.37Å
360	D	41.3	Very low	45.9	Very low	164 Å²	164	127.1 Å²	127.1	88%	0.877	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-92.5	-5.6	-176.5	-143.9	34.4	0	0	0	113.1	M358	M358-D360 VanDerWaalsContact C-N 3.25Å; M358-D360 PolarHBondContact O-N 3.25Å
361	E	41	Very low	45.5	Very low	160 Å²	160	126.9 Å²	126.9	75%	0.748	63%	0.627	S	S	*	*	S	Bend	trans	-99.3	118.4	165.1	-68	-168	166.6	0	0	109.3
362	G	42.2	Very low	45.3	Very low	81 Å²	81	127.1 Å²	127.1	84%	0.835	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-63.7	136	-161.2	0	0	0	0	0	116
363	Y	42.3	Very low	45.3	Very low	119 Å²	119	128.1 Å²	128.1	47%	0.467	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-67	145.1	178.1	-84.5	-90.4	0	0	0	114.2	M359	M359-Y363 HydrophobicContact CE-CE2 3.83Å; M359-Y363 HydrophobicContact SD-CE2 3.85Å
364	D	45.4	Very low	45.5	Very low	140 Å²	140	127.3 Å²	127.3	75%	0.749	64%	0.641	S	S	*	*			trans	-115.1	148.2	161.2	-163.7	3	0	0	0	109.2	F366 H367	D364-F366 PolarHBondContact O-N 3.5Å; D364-H367 PolarHBondContact O-N 3.49Å
365	E	46.4	Very low	45.3	Very low	183 Å²	183	125.6 Å²	125.6	86%	0.855	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-11.9	-153.7	-161.2	168.9	-160.1	0	0	114.7
366	F	43.2	Very low	45.1	Very low	197 Å²	197	130.7 Å²	130.7	86%	0.864	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-4.2	-176	-101.9	-94.2	0	0	0	116.4	D364	D364-F366 PolarHBondContact O-N 3.5Å
367	H	48.3	Very low	45.4	Very low	161 Å²	161	127.9 Å²	127.9	75%	0.745	65%	0.653	S	S	*	*			trans	-128.2	50.9	-177	-84.5	73.5	0	0	0	113.4	D364 P369	D364-H367 PolarHBondContact O-N 3.49Å; H367-P369 WeakPolarHBondContact O-CD 3.22Å
368	N	48.5	Very low	45.8	Very low	89 Å²	89	122.7 Å²	122.7	48%	0.476	64%	0.64	S	S	.	*			trans	-91.2	106.1	175.5	-171.5	-14.7	0	0	0	111.9	F370 T371	N368-F370 VanDerWaalsContact C-N 3.34Å; N368-F370 PolarHBondContact O-N 3.49Å; N368-T371 PolarHBondContact O-OG1 2.94Å; N368-T371 VanDerWaalsContact O-OG1 3.06Å
369	P	44.6	Very low	46.3	Very low	64 Å²	64	121.9 Å²	121.9	42%	0.416	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-70.3	-25.8	-167.3	-19.1	33.3	0	0	0	114.7	H367 T371 S372	H367-P369 WeakPolarHBondContact O-CD 3.22Å; P369-T371 PolarHBondContact O-N 2.83Å; P369-T371 VanDerWaalsContact O-N 3.1Å; P369-S372 PolarHBondContact O-N 3.15Å; P369-S372 VanDerWaalsContact O-N 3.16Å; P369-S372 PolarHBondContact O-OG 3.34Å
370	F	40.4	Very low	47	Very low	133 Å²	133	124.4 Å²	124.4	58%	0.583	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-65.4	-18	-170	-70.6	-72.9	0	0	0	114.5	M359 N368 S372 T373	M359-F370 HydrophobicContact CE-CE2 4.37Å; N368-F370 VanDerWaalsContact C-N 3.34Å; N368-F370 PolarHBondContact O-N 3.49Å; F370-S372 PolarHBondContact O-N 3.05Å; F370-T373 PolarHBondContact O-N 3.24Å; F370-T373 PolarHBondContact O-OG1 3.44Å; F370-T373 VanDerWaalsContact O-OG1 3.11Å
371	T	46.3	Very low	47.5	Very low	126 Å²	126	124.5 Å²	124.5	77%	0.773	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-65.3	-13.8	175	53.7	0	0	0	0	114.2	N368 P369	N368-T371 PolarHBondContact O-OG1 2.94Å; N368-T371 VanDerWaalsContact O-OG1 3.06Å; P369-T371 PolarHBondContact O-N 2.83Å; P369-T371 VanDerWaalsContact O-N 3.1Å
372	S	44.8	Very low	47.9	Very low	103 Å²	103	122 Å²	122	72%	0.72	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-92.6	1	-179.3	64.6	0	0	0	0	115.1	P369 F370 S374	P369-S372 PolarHBondContact O-N 3.15Å; P369-S372 VanDerWaalsContact O-N 3.16Å; P369-S372 PolarHBondContact O-OG 3.34Å; F370-S372 PolarHBondContact O-N 3.05Å; S372-S374 PolarHBondContact O-N 3.49Å
373	T	48	Very low	48.4	Very low	72 Å²	72	123.2 Å²	123.2	44%	0.442	60%	0.601	S	S	.	*	S	Bend	trans	-69.7	120.7	177.5	-47	0	0	0	0	110.6	F370 Y377 V378	F370-T373 PolarHBondContact O-N 3.24Å; F370-T373 PolarHBondContact O-OG1 3.44Å; F370-T373 VanDerWaalsContact O-OG1 3.11Å; T373-Y377 HydrophobicContact CG2-CD1 3.85Å; T373-Y377 HydrophobicContact CG2-CG 4.45Å; T373-V378 HydrophobicContact CG2-CG2 4.37Å
374	S	49.1	Very low	49	Very low	70 Å²	70	121.7 Å²	121.7	49%	0.49	60%	0.6	S	S	.	*			trans	-65.9	141.1	-174.5	67.8	0	0	0	0	113.3	S372 E376 Y377 V378	S372-S374 PolarHBondContact O-N 3.49Å; S374-E376 PolarHBondContact O-N 2.99Å; S374-E376 VanDerWaalsContact O-N 3.15Å; S374-Y377 WeakPolarHBondContact O-CB 3.48Å; S374-Y377 PolarHBondContact O-N 2.76Å; S374-V378 PolarHBondContact O-N 3.44Å
375	E	48.3	Very low	48.9	Very low	138 Å²	138	120 Å²	120	65%	0.645	59%	0.591	S	S	*	*	H	α-helix	trans	-57.5	-31.7	178.6	-70.9	-165	174.8	0	0	113	Y377 V378 K379	E375-Y377 VanDerWaalsContact C-N 3.33Å; E375-V378 PolarHBondContact O-N 3.25Å; E375-K379 WeakPolarHBondContact O-CB 3.45Å; E375-K379 WeakPolarHBondContact O-CD 3.49Å; E375-K379 WeakPolarHBondContact O-CG 3.41Å; E375-K379 PolarHBondContact O-N 2.7Å; E375-K379 IonicContact OE2-NZ 2.77Å; E375-K379 PolarHBondContact OE2-NZ 3.25Å
376	E	43.8	Very low	49.1	Very low	163 Å²	163	116.9 Å²	116.9	76%	0.762	58%	0.576	S	S	*	*	H	α-helix	trans	-63.2	-39.1	175.3	-71.6	-160.8	116.2	0	0	111.8	S374 K380	S374-E376 PolarHBondContact O-N 2.99Å; S374-E376 VanDerWaalsContact O-N 3.15Å; E376-K380 WeakPolarHBondContact O-CB 3.45Å; E376-K380 PolarHBondContact O-N 3.16Å
377	Y	51.9	Low	49.5	Very low	127 Å²	127	114.2 Å²	114.2	50%	0.498	56%	0.564	S	S	.	*	H	α-helix	trans	-63.8	-43.9	175.9	-173.2	-92.7	0	0	0	111.1	T373 S374 E375 K380 R381	T373-Y377 HydrophobicContact CG2-CD1 3.85Å; T373-Y377 HydrophobicContact CG2-CG 4.45Å; S374-Y377 WeakPolarHBondContact O-CB 3.48Å; S374-Y377 PolarHBondContact O-N 2.76Å; E375-Y377 VanDerWaalsContact C-N 3.33Å; Y377-K380 PolarHBondContact O-N 3.47Å; Y377-R381 VanDerWaalsContact O-CB 3.31Å; Y377-R381 WeakPolarHBondContact O-CB 3.29Å; Y377-R381 PolarHBondContact O-N 3.03Å
378	V	54.2	Low	49.3	Very low	70 Å²	70	112.7 Å²	112.7	42%	0.424	56%	0.558	S	S	.	*	H	α-helix	trans	-61.3	-51.9	176.2	-177.5	0	0	0	0	111	T373 S374 E375 K380 R381 E382	T373-V378 HydrophobicContact CG2-CG2 4.37Å; S374-V378 PolarHBondContact O-N 3.44Å; E375-V378 PolarHBondContact O-N 3.25Å; V378-K380 VanDerWaalsContact C-N 3.31Å; V378-K380 PolarHBondContact O-N 2.98Å; V378-R381 WeakPolarHBondContact O-CB 3.2Å; V378-R381 PolarHBondContact O-N 3.2Å; V378-R381 VanDerWaalsContact O-N 3.14Å; V378-E382 PolarHBondContact O-N 3.12Å
379	K	58.1	Low	49.2	Very low	106 Å²	106	113.2 Å²	113.2	46%	0.461	56%	0.564	S	S	.	*	H	α-helix	trans	-62.1	-35.5	178.8	-72.7	162.3	-179.8	165	0	112.4	E375 Q383	E375-K379 WeakPolarHBondContact O-CB 3.45Å; E375-K379 WeakPolarHBondContact O-CD 3.49Å; E375-K379 WeakPolarHBondContact O-CG 3.41Å; E375-K379 PolarHBondContact O-N 2.7Å; E375-K379 IonicContact OE2-NZ 2.77Å; E375-K379 PolarHBondContact OE2-NZ 3.25Å; K379-Q383 WeakPolarHBondContact O-CG 3.5Å; K379-Q383 PolarHBondContact O-N 3.23Å
380	K	59.1	Low	49.2	Very low	146 Å²	146	117.6 Å²	117.6	64%	0.635	58%	0.579	S	S	*	*	H	α-helix	trans	-70	-39.6	175.5	-164.4	175.9	-173.9	-175.2	0	111.2	E376 Y377 V378 Q383 I384	E376-K380 WeakPolarHBondContact O-CB 3.45Å; E376-K380 PolarHBondContact O-N 3.16Å; Y377-K380 PolarHBondContact O-N 3.47Å; V378-K380 VanDerWaalsContact C-N 3.31Å; V378-K380 PolarHBondContact O-N 2.98Å; K380-Q383 PolarHBondContact O-N 3.17Å; K380-I384 WeakPolarHBondContact O-CD1 3.28Å; K380-I384 VanDerWaalsContact O-CG1 3.27Å; K380-I384 WeakPolarHBondContact O-CG1 3.28Å; K380-I384 PolarHBondContact O-N 3.48Å
381	R	51.7	Low	49.7	Very low	167 Å²	167	119.1 Å²	119.1	63%	0.63	59%	0.585	S	S	*	*	H	α-helix	trans	-63.6	-45.5	173.5	-171	174.9	-179	172.4	1.4	111.7	Y377 V378 I384 L385	Y377-R381 VanDerWaalsContact O-CB 3.31Å; Y377-R381 WeakPolarHBondContact O-CB 3.29Å; Y377-R381 PolarHBondContact O-N 3.03Å; V378-R381 WeakPolarHBondContact O-CB 3.2Å; V378-R381 PolarHBondContact O-N 3.2Å; V378-R381 VanDerWaalsContact O-N 3.14Å; R381-I384 PolarHBondContact O-N 3.4Å; R381-L385 WeakPolarHBondContact O-CB 3.47Å; R381-L385 PolarHBondContact O-N 3.16Å
382	E	49.8	Very low	49.8	Very low	108 Å²	108	125.2 Å²	125.2	51%	0.505	59%	0.594	S	S	.	*	H	α-helix	trans	-59.3	-47.2	172.7	-74.6	-166	109	0	0	112.4	V378 I384 L385 Q386	V378-E382 PolarHBondContact O-N 3.12Å; E382-I384 VanDerWaalsContact C-N 3.27Å; E382-I384 PolarHBondContact O-N 3.35Å; E382-L385 PolarHBondContact O-N 2.89Å; E382-L385 VanDerWaalsContact O-N 3.1Å; E382-Q386 WeakPolarHBondContact O-CG 3.35Å; E382-Q386 PolarHBondContact O-N 2.83Å
383	Q	52.1	Low	50.3	Low	105 Å²	105	125.7 Å²	125.7	49%	0.491	59%	0.588	S	S	.	*	H	α-helix	trans	-61.8	-34.3	177.5	-77.5	-173.9	27.3	0	0	112.9	K379 K380 K387	K379-Q383 WeakPolarHBondContact O-CG 3.5Å; K379-Q383 PolarHBondContact O-N 3.23Å; K380-Q383 PolarHBondContact O-N 3.17Å; Q383-K387 WeakPolarHBondContact O-CB 3.47Å; Q383-K387 VanDerWaalsContact O-CD 3.29Å; Q383-K387 WeakPolarHBondContact O-CD 3.47Å; Q383-K387 WeakPolarHBondContact O-CG 3.38Å; Q383-K387 PolarHBondContact O-N 2.94Å
384	I	55.4	Low	51	Low	87 Å²	87	125.6 Å²	125.6	45%	0.446	59%	0.59	S	S	.	*	H	α-helix	trans	-67.5	-43.5	173.6	-70.4	162.9	0	0	0	110	K380 R381 E382 K387 Q388	K380-I384 WeakPolarHBondContact O-CD1 3.28Å; K380-I384 VanDerWaalsContact O-CG1 3.27Å; K380-I384 WeakPolarHBondContact O-CG1 3.28Å; K380-I384 PolarHBondContact O-N 3.48Å; R381-I384 PolarHBondContact O-N 3.4Å; E382-I384 VanDerWaalsContact C-N 3.27Å; E382-I384 PolarHBondContact O-N 3.35Å; I384-K387 PolarHBondContact O-N 2.75Å; I384-Q388 WeakPolarHBondContact O-CG 3.41Å; I384-Q388 PolarHBondContact O-N 3.35Å
385	L	43.2	Very low	51.4	Low	106 Å²	106	126.2 Å²	126.2	56%	0.555	60%	0.599	S	S	*	*	H	α-helix	trans	-65.1	-43	179.5	-145.8	156.8	0	0	0	111.5	R381 E382 K387 Q388 T389	R381-L385 WeakPolarHBondContact O-CB 3.47Å; R381-L385 PolarHBondContact O-N 3.16Å; E382-L385 PolarHBondContact O-N 2.89Å; E382-L385 VanDerWaalsContact O-N 3.1Å; L385-K387 VanDerWaalsContact C-N 3.34Å; L385-K387 PolarHBondContact O-N 3.05Å; L385-Q388 PolarHBondContact O-N 2.95Å; L385-Q388 VanDerWaalsContact O-N 3.14Å; L385-T389 HydrophobicContact CD2-CG2 4.38Å; L385-T389 PolarHBondContact O-N 3.35Å; L385-T389 PolarHBondContact O-OG1 2.64Å
386	Q	49.8	Very low	52.1	Low	116 Å²	116	126.6 Å²	126.6	54%	0.542	60%	0.601	S	S	.	*	H	α-helix	trans	-64.7	-33.1	172.2	-68.5	-179.3	11.3	0	0	113	E382 T389 Q390	E382-Q386 WeakPolarHBondContact O-CG 3.35Å; E382-Q386 PolarHBondContact O-N 2.83Å; Q386-T389 PolarHBondContact O-OG1 3.08Å; Q386-T389 VanDerWaalsContact O-OG1 3.06Å; Q386-Q390 WeakPolarHBondContact O-CG 3.48Å; Q386-Q390 PolarHBondContact O-N 2.86Å
387	K	51.9	Low	52.9	Low	141 Å²	141	125.4 Å²	125.4	61%	0.613	59%	0.593	S	S	*	*	H	α-helix	trans	-70.8	-31.6	171.7	-75.4	163.5	-172.7	161.4	0	112.1	Q383 I384 L385	Q383-K387 WeakPolarHBondContact O-CB 3.47Å; Q383-K387 VanDerWaalsContact O-CD 3.29Å; Q383-K387 WeakPolarHBondContact O-CD 3.47Å; Q383-K387 WeakPolarHBondContact O-CG 3.38Å; Q383-K387 PolarHBondContact O-N 2.94Å; I384-K387 PolarHBondContact O-N 2.75Å; L385-K387 VanDerWaalsContact C-N 3.34Å; L385-K387 PolarHBondContact O-N 3.05Å
388	Q	43.7	Very low	53.6	Low	130 Å²	130	127 Å²	127	61%	0.607	60%	0.598	S	S	*	*	H	α-helix	trans	-75.9	-32.2	175.9	-72.7	-172.4	18.5	0	0	113.5	I384 L385 Q390	I384-Q388 WeakPolarHBondContact O-CG 3.41Å; I384-Q388 PolarHBondContact O-N 3.35Å; L385-Q388 PolarHBondContact O-N 2.95Å; L385-Q388 VanDerWaalsContact O-N 3.14Å; Q388-Q390 VanDerWaalsContact C-N 3.34Å
389	T	48	Very low	54	Low	99 Å²	99	129.5 Å²	129.5	61%	0.607	61%	0.605	S	S	*	*	H	α-helix	trans	-71.4	-28.6	172.1	56.2	0	0	0	0	112.1	L385 Q386 K391	L385-T389 HydrophobicContact CD2-CG2 4.38Å; L385-T389 PolarHBondContact O-N 3.35Å; L385-T389 PolarHBondContact O-OG1 2.64Å; Q386-T389 PolarHBondContact O-OG1 3.08Å; Q386-T389 VanDerWaalsContact O-OG1 3.06Å; T389-K391 PolarHBondContact O-N 3.19Å
390	Q	43.5	Very low	54.4	Low	156 Å²	156	128.9 Å²	128.9	73%	0.729	61%	0.606	S	S	*	*			trans	-75.7	41.8	171.6	-68.9	-169.4	20.9	0	0	114.7	Q386 Q388 R392	Q386-Q390 WeakPolarHBondContact O-CG 3.48Å; Q386-Q390 PolarHBondContact O-N 2.86Å; Q388-Q390 VanDerWaalsContact C-N 3.34Å; Q390-R392 PolarHBondContact O-N 2.95Å
391	K	52.2	Low	54.9	Low	165 Å²	165	125.8 Å²	125.8	72%	0.717	60%	0.597	S	S	*	*			trans	-62.4	131.8	159.4	-77.3	173.5	-177.5	175.1	0	108.6	T389 I393	T389-K391 PolarHBondContact O-N 3.19Å; K391-I393 VanDerWaalsContact C-N 3.28Å; K391-I393 PolarHBondContact O-N 3.44Å
392	R	46.9	Very low	55.4	Low	255 Å²	255	120.9 Å²	120.9	96%	0.962	58%	0.581	S	S	*	*			trans	-71.1	76	-176.2	-75.2	-176.5	169.1	-172.2	-3.6	112.6	Q390	Q390-R392 PolarHBondContact O-N 2.95Å
393	I	56.1	Low	56.3	Low	113 Å²	113	119.4 Å²	119.4	58%	0.579	58%	0.577	S	S	*	*			trans	-66.6	133	163.6	-57	172.7	0	0	0	107.5	K391 K397 R398	K391-I393 VanDerWaalsContact C-N 3.28Å; K391-I393 PolarHBondContact O-N 3.44Å; I393-K397 HydrophobicContact CG2-CB 3.93Å; I393-K397 HydrophobicContact CG2-CG 4.14Å; I393-R398 HydrophobicContact CG2-CB 4.15Å
394	S	62.5	Low	57	Low	70 Å²	70	118.7 Å²	118.7	49%	0.49	58%	0.576	S	S	.	*			trans	-66.8	146.1	175.4	65.6	0	0	0	0	110.3	Q396 K397 R398	S394-Q396 PolarHBondContact O-N 2.98Å; S394-Q396 VanDerWaalsContact O-N 3.16Å; S394-K397 PolarHBondContact O-N 3.28Å; S394-K397 WeakPolarHBondContact OG-CB 3.16Å; S394-K397 PolarHBondContact OG-N 3.09Å; S394-R398 PolarHBondContact O-N 3.47Å
395	A	57.7	Low	57.7	Low	83 Å²	83	119.4 Å²	119.4	69%	0.686	58%	0.577	S	S	*	*	H	α-helix	trans	-52.6	-42.1	-178.4	0	0	0	0	0	112.2	K397 R398 Q399	A395-K397 PolarHBondContact O-N 3.24Å; A395-R398 PolarHBondContact O-N 3.25Å; A395-Q399 WeakPolarHBondContact O-CB 3.45Å; A395-Q399 PolarHBondContact O-N 2.84Å
396	Q	61.8	Low	58.8	Low	145 Å²	145	120.9 Å²	120.9	68%	0.678	58%	0.576	S	S	*	*	H	α-helix	trans	-60	-42.6	174.5	-170.1	-179.1	23.9	0	0	113.1	S394 Q399 I400	S394-Q396 PolarHBondContact O-N 2.98Å; S394-Q396 VanDerWaalsContact O-N 3.16Å; Q396-Q399 PolarHBondContact O-N 3.18Å; Q396-I400 HydrophobicContact CG-CD1 4.09Å; Q396-I400 WeakPolarHBondContact O-CD1 3.5Å; Q396-I400 VanDerWaalsContact O-CG1 3.27Å; Q396-I400 WeakPolarHBondContact O-CG1 3.35Å; Q396-I400 PolarHBondContact O-N 3Å
397	K	60.8	Low	59.2	Low	138 Å²	138	122.6 Å²	122.6	60%	0.6	58%	0.577	S	S	*	*	H	α-helix	trans	-72.1	-32.2	179.1	-173.5	168.5	-176.5	176.5	0	112.2	I393 S394 A395 N401	I393-K397 HydrophobicContact CG2-CB 3.93Å; I393-K397 HydrophobicContact CG2-CG 4.14Å; S394-K397 PolarHBondContact O-N 3.28Å; S394-K397 WeakPolarHBondContact OG-CB 3.16Å; S394-K397 PolarHBondContact OG-N 3.09Å; A395-K397 PolarHBondContact O-N 3.24Å; K397-N401 PolarHBondContact O-N 3.06Å; K397-N401 VanDerWaalsContact O-N 3.13Å
398	R	67.8	Low	59.7	Low	161 Å²	161	121.3 Å²	121.3	61%	0.608	57%	0.573	S	S	*	*	H	α-helix	trans	-64.3	-46.7	171.1	-179.6	176.9	173.9	151.3	7.6	111	I393 S394 A395 I400 N401 E402	I393-R398 HydrophobicContact CG2-CB 4.15Å; S394-R398 PolarHBondContact O-N 3.47Å; A395-R398 PolarHBondContact O-N 3.25Å; R398-I400 PolarHBondContact O-N 3.45Å; R398-N401 WeakPolarHBondContact O-CB 3.5Å; R398-N401 PolarHBondContact O-N 3.5Å; R398-E402 WeakPolarHBondContact CG-OE1 3.46Å; R398-E402 IonicContact CZ-OE1 3.08Å; R398-E402 IonicContact NE-OE1 2.75Å; R398-E402 PolarHBondContact NE-OE1 3.22Å; R398-E402 IonicContact NH2-OE1 3.46Å; R398-E402 PolarHBondContact NH2-OE1 3.47Å; R398-E402 PolarHBondContact O-N 2.99Å
399	Q	61.7	Low	60.5	Low	122 Å²	122	119 Å²	119	57%	0.57	57%	0.568	S	S	*	*	H	α-helix	trans	-63.1	-40.2	179.1	-167.1	167.1	10	0	0	112.3	A395 Q396 N401 E402 D403	A395-Q399 WeakPolarHBondContact O-CB 3.45Å; A395-Q399 PolarHBondContact O-N 2.84Å; Q396-Q399 PolarHBondContact O-N 3.18Å; Q399-N401 VanDerWaalsContact C-N 3.29Å; Q399-N401 PolarHBondContact O-N 3.13Å; Q399-E402 PolarHBondContact O-N 3Å; Q399-D403 WeakPolarHBondContact O-CB 3.48Å; Q399-D403 PolarHBondContact O-N 3.2Å
400	I	66.4	Low	61.3	Low	93 Å²	93	119 Å²	119	48%	0.477	56%	0.564	S	S	.	*	H	α-helix	trans	-61.7	-34.7	171.8	-70	164.3	0	0	0	112	Q396 R398 N404	Q396-I400 HydrophobicContact CG-CD1 4.09Å; Q396-I400 WeakPolarHBondContact O-CD1 3.5Å; Q396-I400 VanDerWaalsContact O-CG1 3.27Å; Q396-I400 WeakPolarHBondContact O-CG1 3.35Å; Q396-I400 PolarHBondContact O-N 3Å; R398-I400 PolarHBondContact O-N 3.45Å; I400-N404 WeakPolarHBondContact O-CB 3.47Å; I400-N404 PolarHBondContact O-N 3.39Å
401	N	70.3	Confident	62.1	Low	82 Å²	82	119.1 Å²	119.1	44%	0.439	56%	0.558	S	S	.	*	H	α-helix	trans	-70.3	-47.5	176.7	-141.2	89.9	0	0	0	111.3	K397 R398 Q399 D403 N404 E405	K397-N401 PolarHBondContact O-N 3.06Å; K397-N401 VanDerWaalsContact O-N 3.13Å; R398-N401 WeakPolarHBondContact O-CB 3.5Å; R398-N401 PolarHBondContact O-N 3.5Å; Q399-N401 VanDerWaalsContact C-N 3.29Å; Q399-N401 PolarHBondContact O-N 3.13Å; N401-D403 VanDerWaalsContact C-N 3.3Å; N401-D403 PolarHBondContact O-N 3.06Å; N401-N404 PolarHBondContact O-N 3.01Å; N401-E405 PolarHBondContact ND2-OE1 2.98Å; N401-E405 WeakPolarHBondContact O-CG 3.3Å; N401-E405 PolarHBondContact O-N 3.23Å
402	E	61.9	Low	62.2	Low	64 Å²	64	116 Å²	116	30%	0.299	55%	0.547	S	S	.	.	H	α-helix	trans	-62	-35.8	177.5	-69.2	176.1	-167	0	0	111.8	R398 Q399 R406	R398-E402 WeakPolarHBondContact CG-OE1 3.46Å; R398-E402 IonicContact CZ-OE1 3.08Å; R398-E402 IonicContact NE-OE1 2.75Å; R398-E402 PolarHBondContact NE-OE1 3.22Å; R398-E402 IonicContact NH2-OE1 3.46Å; R398-E402 PolarHBondContact NH2-OE1 3.47Å; R398-E402 PolarHBondContact O-N 2.99Å; Q399-E402 PolarHBondContact O-N 3Å; E402-R406 WeakPolarHBondContact O-CB 3.36Å; E402-R406 WeakPolarHBondContact O-CD 3.46Å; E402-R406 WeakPolarHBondContact O-CG 3.33Å; E402-R406 PolarHBondContact O-N 3.29Å; E402-R406 VanDerWaalsContact O-N 3.12Å
403	D	68.1	Low	62.5	Low	77 Å²	77	109.7 Å²	109.7	41%	0.412	53%	0.532	S	S	.	.	H	α-helix	trans	-78.4	-30.2	175.5	-72.1	-24	0	0	0	113.3	Q399 N401 R406 W407	Q399-D403 WeakPolarHBondContact O-CB 3.48Å; Q399-D403 PolarHBondContact O-N 3.2Å; N401-D403 VanDerWaalsContact C-N 3.3Å; N401-D403 PolarHBondContact O-N 3.06Å; D403-R406 IonicContact OD1-CZ 2.66Å; D403-R406 IonicContact OD1-NH1 2.83Å; D403-R406 PolarHBondContact OD1-NH1 2.86Å; D403-W407 WeakPolarHBondContact O-CB 3.24Å; D403-W407 PolarHBondContact O-N 3.25Å
404	N	68	Low	62.3	Low	89 Å²	89	110.3 Å²	110.3	48%	0.476	54%	0.541	S	S	.	.	H	α-helix	trans	-65.6	-46.8	168.9	-92.3	10.8	0	0	0	111.6	I400 N401 R406 W407 E408	I400-N404 WeakPolarHBondContact O-CB 3.47Å; I400-N404 PolarHBondContact O-N 3.39Å; N401-N404 PolarHBondContact O-N 3.01Å; N404-R406 VanDerWaalsContact C-N 3.27Å; N404-R406 PolarHBondContact O-N 3.31Å; N404-W407 WeakPolarHBondContact O-CA 3.5Å; N404-W407 WeakPolarHBondContact O-CB 3.21Å; N404-W407 PolarHBondContact O-N 2.94Å; N404-E408 PolarHBondContact O-N 3.15Å
405	E	68.8	Low	62.2	Low	103 Å²	103	110.1 Å²	110.1	48%	0.481	54%	0.54	S	S	.	.	H	α-helix	trans	-59.5	-39.1	176.4	-73.8	164.3	-165.7	0	0	111.1	N401 T409	N401-E405 PolarHBondContact ND2-OE1 2.98Å; N401-E405 WeakPolarHBondContact O-CG 3.3Å; N401-E405 PolarHBondContact O-N 3.23Å; E405-T409 WeakPolarHBondContact O-CB 3.29Å; E405-T409 WeakPolarHBondContact O-CG2 3.24Å; E405-T409 PolarHBondContact O-N 3.01Å; E405-T409 PolarHBondContact O-OG1 3.09Å
406	R	67.3	Low	61.7	Low	137 Å²	137	108.9 Å²	108.9	52%	0.517	54%	0.535	S	S	.	.	H	α-helix	trans	-65.2	-35.4	171.2	-74.6	166.9	-178.6	160.6	4.1	113.3	E402 D403 N404 T409 N410	E402-R406 WeakPolarHBondContact O-CB 3.36Å; E402-R406 WeakPolarHBondContact O-CD 3.46Å; E402-R406 WeakPolarHBondContact O-CG 3.33Å; E402-R406 PolarHBondContact O-N 3.29Å; E402-R406 VanDerWaalsContact O-N 3.12Å; D403-R406 IonicContact OD1-CZ 2.66Å; D403-R406 IonicContact OD1-NH1 2.83Å; D403-R406 PolarHBondContact OD1-NH1 2.86Å; N404-R406 VanDerWaalsContact C-N 3.27Å; N404-R406 PolarHBondContact O-N 3.31Å; R406-T409 WeakPolarHBondContact CA-OG1 3.41Å; R406-T409 PolarHBondContact O-OG1 3.43Å; R406-N410 WeakPolarHBondContact O-CB 3.38Å; R406-N410 PolarHBondContact O-N 3.28Å; R406-N410 VanDerWaalsContact O-N 3.13Å; R406-N410 PolarHBondContact O-ND2 2.93Å
407	W	58.3	Low	61.2	Low	152 Å²	152	107.3 Å²	107.3	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-71	-42.9	176.7	-175.1	76.6	0	0	0	111.7	D403 N404 R411	D403-W407 WeakPolarHBondContact O-CB 3.24Å; D403-W407 PolarHBondContact O-N 3.25Å; N404-W407 WeakPolarHBondContact O-CA 3.5Å; N404-W407 WeakPolarHBondContact O-CB 3.21Å; N404-W407 PolarHBondContact O-N 2.94Å; W407-R411 VanDerWaalsContact O-CB 3.29Å; W407-R411 WeakPolarHBondContact O-CB 3.37Å; W407-R411 PolarHBondContact O-N 3.3Å
408	E	61.6	Low	60.2	Low	114 Å²	114	104.6 Å²	104.6	53%	0.533	53%	0.53	S	S	.	.	H	α-helix	trans	-68	-43.3	177.9	-69.3	-176.3	168.1	0	0	112.1	N404 R411 M412	N404-E408 PolarHBondContact O-N 3.15Å; E408-R411 CarbonylContact O-C 3.57Å; E408-R411 WeakPolarHBondContact O-CB 3.42Å; E408-R411 PolarHBondContact O-N 3.16Å; E408-R411 VanDerWaalsContact O-N 3.16Å; E408-M412 WeakPolarHBondContact O-CG 3.33Å; E408-M412 PolarHBondContact O-N 2.59Å
409	T	60.9	Low	59.1	Low	80 Å²	80	105.6 Å²	105.6	49%	0.491	54%	0.542	S	S	.	.	H	α-helix	trans	-64	-43.6	175.1	47.8	0	0	0	0	112.6	E405 R406 R411 M412 L413	E405-T409 WeakPolarHBondContact O-CB 3.29Å; E405-T409 WeakPolarHBondContact O-CG2 3.24Å; E405-T409 PolarHBondContact O-N 3.01Å; E405-T409 PolarHBondContact O-OG1 3.09Å; R406-T409 WeakPolarHBondContact CA-OG1 3.41Å; R406-T409 PolarHBondContact O-OG1 3.43Å; T409-R411 VanDerWaalsContact C-N 3.26Å; T409-R411 PolarHBondContact O-N 2.83Å; T409-M412 PolarHBondContact O-N 3.44Å; T409-L413 WeakPolarHBondContact O-CG 3.48Å; T409-L413 PolarHBondContact O-N 3.22Å
410	N	65.3	Low	58.2	Low	100 Å²	100	110 Å²	110	54%	0.535	55%	0.553	S	S	.	*	H	α-helix	trans	-60.6	-36.5	172.2	-84.7	-72.1	0	0	0	112	R406 L413 T414	R406-N410 WeakPolarHBondContact O-CB 3.38Å; R406-N410 PolarHBondContact O-N 3.28Å; R406-N410 VanDerWaalsContact O-N 3.13Å; R406-N410 PolarHBondContact O-ND2 2.93Å; N410-L413 PolarHBondContact O-N 3.41Å; N410-T414 WeakPolarHBondContact O-CB 3.49Å; N410-T414 PolarHBondContact O-N 2.9Å; N410-T414 PolarHBondContact O-OG1 3.43Å
411	R	59.4	Low	56.7	Low	158 Å²	158	113.6 Å²	113.6	60%	0.596	57%	0.572	S	S	*	*	H	α-helix	trans	-70.7	-35.7	177.2	-173.4	173.4	176.3	179.3	-3.9	112.9	W407 E408 T409 S415	W407-R411 VanDerWaalsContact O-CB 3.29Å; W407-R411 WeakPolarHBondContact O-CB 3.37Å; W407-R411 PolarHBondContact O-N 3.3Å; E408-R411 CarbonylContact O-C 3.57Å; E408-R411 WeakPolarHBondContact O-CB 3.42Å; E408-R411 PolarHBondContact O-N 3.16Å; E408-R411 VanDerWaalsContact O-N 3.16Å; T409-R411 VanDerWaalsContact C-N 3.26Å; T409-R411 PolarHBondContact O-N 2.83Å; R411-S415 VanDerWaalsContact O-CB 3.32Å; R411-S415 WeakPolarHBondContact O-CB 3.28Å; R411-S415 PolarHBondContact O-N 3.14Å; R411-S415 PolarHBondContact O-OG 2.94Å
412	M	54.7	Low	55.4	Low	100 Å²	100	117.5 Å²	117.5	49%	0.493	59%	0.588	S	S	.	*	H	α-helix	trans	-67	-37.1	173	-70.7	-87.2	-79.5	0	0	112.5	E408 T409 S415 V418	E408-M412 WeakPolarHBondContact O-CG 3.33Å; E408-M412 PolarHBondContact O-N 2.59Å; T409-M412 PolarHBondContact O-N 3.44Å; M412-S415 PolarHBondContact O-OG 3.49Å; M412-S415 VanDerWaalsContact O-OG 3.06Å; M412-V418 HydrophobicContact CE-CG2 4.05Å
413	L	52.9	Low	54.3	Low	123 Å²	123	119.8 Å²	119.8	64%	0.644	61%	0.606	S	S	*	*	H	α-helix	trans	-70.6	-43.9	173.5	-70.9	164.8	0	0	0	111.5	T409 N410 S415 G416	T409-L413 WeakPolarHBondContact O-CG 3.48Å; T409-L413 PolarHBondContact O-N 3.22Å; N410-L413 PolarHBondContact O-N 3.41Å; L413-S415 VanDerWaalsContact C-N 3.31Å; L413-S415 PolarHBondContact O-N 3.02Å; L413-G416 PolarHBondContact O-N 3.06Å
414	T	52.8	Low	52.8	Low	125 Å²	125	120 Å²	120	77%	0.767	61%	0.607	S	S	*	*	H	α-helix	trans	-70.6	-25.5	-178.9	-52	0	0	0	0	112.8	N410 G416	N410-T414 WeakPolarHBondContact O-CB 3.49Å; N410-T414 PolarHBondContact O-N 2.9Å; N410-T414 PolarHBondContact O-OG1 3.43Å; T414-G416 VanDerWaalsContact C-N 3.33Å
415	S	59.8	Low	51.5	Low	67 Å²	67	124 Å²	124	47%	0.469	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	-9.7	177.5	65.9	0	0	0	0	114.3	R411 M412 L413 V417	R411-S415 VanDerWaalsContact O-CB 3.32Å; R411-S415 WeakPolarHBondContact O-CB 3.28Å; R411-S415 PolarHBondContact O-N 3.14Å; R411-S415 PolarHBondContact O-OG 2.94Å; M412-S415 PolarHBondContact O-OG 3.49Å; M412-S415 VanDerWaalsContact O-OG 3.06Å; L413-S415 VanDerWaalsContact C-N 3.31Å; L413-S415 PolarHBondContact O-N 3.02Å; S415-V417 PolarHBondContact O-N 3.08Å; S415-V417 WeakPolarHBondContact OG-CG2 3.38Å
416	G	47.5	Very low	50.2	Low	56 Å²	56	124.2 Å²	124.2	58%	0.577	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	68	10.1	-179.2	0	0	0	0	0	115.1	L413 T414 V418	L413-G416 PolarHBondContact O-N 3.06Å; T414-G416 VanDerWaalsContact C-N 3.33Å; G416-V418 VanDerWaalsContact C-N 3.28Å; G416-V418 PolarHBondContact O-N 3.3Å
417	V	50.6	Low	49	Very low	113 Å²	113	125.7 Å²	125.7	69%	0.685	64%	0.638	S	S	*	*			trans	-74	-19.2	-176.6	175.5	0	0	0	0	112.4	S415	S415-V417 PolarHBondContact O-N 3.08Å; S415-V417 WeakPolarHBondContact OG-CG2 3.38Å
418	V	40.3	Very low	48.5	Very low	81 Å²	81	122.1 Å²	122.1	49%	0.491	63%	0.628	S	S	.	*			trans	-107.1	93.3	176.4	-174	0	0	0	0	110	M412 G416	M412-V418 HydrophobicContact CE-CG2 4.05Å; G416-V418 VanDerWaalsContact C-N 3.28Å; G416-V418 PolarHBondContact O-N 3.3Å
419	Q	44.5	Very low	47.5	Very low	181 Å²	181	120.6 Å²	120.6	85%	0.846	62%	0.62	S	S	*	*			trans	-73	135.4	155.5	-82.3	-177.3	-49.7	0	0	108.7	L421	Q419-L421 PolarHBondContact O-N 2.87Å
420	R	41.8	Very low	46.8	Very low	215 Å²	215	123 Å²	123	81%	0.811	63%	0.631	S	S	*	*			trans	-65.5	126.3	169.8	-78.1	-177.9	170.2	-175.2	-5.8	109.4	E422	R420-E422 HydrophobicContact CB-CG 4.4Å
421	L	36	Very low	45.9	Very low	169 Å²	169	122.1 Å²	122.1	89%	0.885	63%	0.626	S	S	*	*			trans	-88.4	110.2	157.4	-85.9	158.9	0	0	0	107	Q419 V423	Q419-L421 PolarHBondContact O-N 2.87Å; L421-V423 PolarHBondContact O-N 3.4Å
422	E	41.9	Very low	45.3	Very low	164 Å²	164	118 Å²	118	77%	0.766	63%	0.625	S	S	*	*			trans	-86.5	78.7	176.7	-67.6	-179.1	162.3	0	0	109.7	R420	R420-E422 HydrophobicContact CB-CG 4.4Å
423	V	39	Very low	45.1	Very low	112 Å²	112	117 Å²	117	68%	0.679	63%	0.633	S	S	*	*			trans	-140.5	107.6	161.5	-174.3	0	0	0	0	106.8	L421 E425	L421-V423 PolarHBondContact O-N 3.4Å; V423-E425 HydrophobicContact CG1-CG 4.25Å
424	D	36.7	Very low	45.4	Very low	82 Å²	82	114.9 Å²	114.9	44%	0.439	62%	0.618	S	S	.	*			trans	-115	79.4	-167	-151.3	43.4	0	0	0	109.6	P257 A258 L259 D426	P257-D424 VanDerWaalsContact C-OD2 3.29Å; A258-D424 CarbonylContact C-O 3.59Å; A258-D424 WeakPolarHBondContact CA-O 3.46Å; A258-D424 PolarHBondContact N-OD2 3.18Å; L259-D424 PolarHBondContact N-O 2.9Å; D424-D426 PolarHBondContact O-N 3.4Å; D424-D426 VanDerWaalsContact O-N 3.08Å
425	E	41.7	Very low	46.2	Very low	172 Å²	172	110.7 Å²	110.7	80%	0.804	59%	0.593	S	S	*	*			trans	-78.3	26.6	-179	-65.6	-166.4	151.7	0	0	113.6	V423	V423-E425 HydrophobicContact CG1-CG 4.25Å
426	D	41.5	Very low	46.9	Very low	108 Å²	108	111.8 Å²	111.8	58%	0.578	59%	0.59	S	S	*	*	S	Bend	trans	-99.4	141.8	179.4	-93.4	-44.2	0	0	0	112.4	A258 D424 E428	A258-D426 WeakPolarHBondContact CA-O 3.43Å; A258-D426 WeakPolarHBondContact CB-O 3.3Å; D424-D426 PolarHBondContact O-N 3.4Å; D424-D426 VanDerWaalsContact O-N 3.08Å; D426-E428 PolarHBondContact O-N 3.39Å
427	F	42	Very low	48.4	Very low	168 Å²	168	110.4 Å²	110.4	74%	0.737	57%	0.57	S	S	*	*	S	Bend	trans	-78.4	45.4	-176.4	-79.8	-118.5	0	0	0	113	S260	S260-F427 VanDerWaalsContact CB-CE1 3.47Å
428	E	47.5	Very low	49.7	Very low	77 Å²	77	108 Å²	108	36%	0.36	55%	0.552	S	S	.	*			trans	-88.9	-7.1	-174.2	-89.4	-108.7	115.2	0	0	115	S256 A258 D426 D430 N431	S256-E428 PolarHBondContact OG-OE2 3.15Å; A258-E428 HydrophobicContact CB-CB 4.09Å; D426-E428 PolarHBondContact O-N 3.39Å; E428-D430 VanDerWaalsContact C-N 3.3Å; E428-D430 PolarHBondContact O-N 3.1Å; E428-N431 WeakPolarHBondContact O-CB 3.32Å; E428-N431 PolarHBondContact O-N 3.26Å; E428-N431 PolarHBondContact OE1-ND2 3.18Å
429	E	41.1	Very low	51.4	Low	81 Å²	81	106.8 Å²	106.8	38%	0.379	55%	0.545	S	S	.	.	H	α-helix	trans	-60.4	-37.5	-171.5	-148.5	173	174.5	0	0	112.9	P257 A258 L259 N431 A432	P257-E429 HydrophobicContact CB-CG 4.37Å; A258-E429 HydrophobicContact CB-CB 3.83Å; A258-E429 HydrophobicContact CB-CG 4.44Å; L259-E429 WeakPolarHBondContact CD2-OE2 3.45Å; E429-N431 PolarHBondContact O-N 3.09Å; E429-N431 VanDerWaalsContact O-N 3.16Å; E429-A432 WeakPolarHBondContact O-CB 3.32Å; E429-A432 PolarHBondContact O-N 3.36Å
430	D	45.5	Very low	52.7	Low	132 Å²	132	101 Å²	101	71%	0.706	52%	0.518	S	S	*	.	H	α-helix	trans	-65.2	-12.9	174.1	-82.5	-15.5	0	0	0	114.1	E428 K434	E428-D430 VanDerWaalsContact C-N 3.3Å; E428-D430 PolarHBondContact O-N 3.1Å; D430-K434 WeakPolarHBondContact O-CE 3.26Å; D430-K434 PolarHBondContact O-NZ 3.17Å
431	N	46.3	Very low	53.8	Low	81 Å²	81	95.9 Å²	95.9	43%	0.433	51%	0.507	S	S	.	.	H	α-helix	trans	-86.5	-26.3	170.4	-75.2	-26.2	0	0	0	112.5	E428 E429 A433 K434	E428-N431 WeakPolarHBondContact O-CB 3.32Å; E428-N431 PolarHBondContact O-N 3.26Å; E428-N431 PolarHBondContact OE1-ND2 3.18Å; E429-N431 PolarHBondContact O-N 3.09Å; E429-N431 VanDerWaalsContact O-N 3.16Å; N431-A433 VanDerWaalsContact C-N 3.31Å; N431-A433 PolarHBondContact O-N 3.16Å; N431-K434 PolarHBondContact O-N 3.47Å; N431-K434 PolarHBondContact OD1-NZ 3.44Å
432	A	47.1	Very low	55.3	Low	70 Å²	70	90.1 Å²	90.1	58%	0.579	48%	0.476	S	S	*	.	H	α-helix	trans	-68.4	-31.3	179.6	0	0	0	0	0	112.4	E429 K434	E429-A432 WeakPolarHBondContact O-CB 3.32Å; E429-A432 PolarHBondContact O-N 3.36Å; A432-K434 VanDerWaalsContact C-N 3.27Å; A432-K434 PolarHBondContact O-N 3.37Å
433	A	51	Low	56.4	Low	80 Å²	80	86.4 Å²	86.4	66%	0.661	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.8	176.3	0	0	0	0	0	114.4	N431 V435	N431-A433 VanDerWaalsContact C-N 3.31Å; N431-A433 PolarHBondContact O-N 3.16Å; A433-V435 PolarHBondContact O-N 3.02Å
434	K	59.7	Low	57.6	Low	78 Å²	78	81.1 Å²	81.1	34%	0.339	43%	0.433	S	S	.	.			trans	-80.1	82.7	-170.5	-68.3	178.1	-175.8	146	0	112.1	D430 N431 A432 H436	D430-K434 WeakPolarHBondContact O-CE 3.26Å; D430-K434 PolarHBondContact O-NZ 3.17Å; N431-K434 PolarHBondContact O-N 3.47Å; N431-K434 PolarHBondContact OD1-NZ 3.44Å; A432-K434 VanDerWaalsContact C-N 3.27Å; A432-K434 PolarHBondContact O-N 3.37Å; K434-H436 PolarHBondContact O-CE1 2.86Å; K434-H436 PolarHBondContact O-N 3.16Å; K434-H436 VanDerWaalsContact O-N 3.17Å; K434-H436 PolarHBondContact O-ND1 3.49Å
435	V	69.3	Low	58.7	Low	37 Å²	37	79.5 Å²	79.5	22%	0.224	43%	0.427	C	S	.	.			trans	-45.9	122	173.4	-179.9	0	0	0	0	110.6	A433 Y1153 E1176 I1188	A433-V435 PolarHBondContact O-N 3.02Å; V435-Y1153 WeakPolarHBondContact O-CE2 2.99Å; V435-Y1153 VanDerWaalsContact O-CZ 3.27Å; V435-Y1153 PolarHBondContact O-OH 3.01Å; V435-E1176 HydrophobicContact CG1-CG 4.42Å; V435-E1176 HydrophobicContact CG2-CG 3.88Å; V435-I1188 HydrophobicContact CG1-CG2 4.09Å
436	H	74.9	Confident	59.8	Low	91 Å²	91	74.3 Å²	74.3	42%	0.421	40%	0.402	S	S	.	.			trans	-105.4	127.5	178.7	-82.7	30.6	0	0	0	110.2	K434 K1189	K434-H436 PolarHBondContact O-CE1 2.86Å; K434-H436 PolarHBondContact O-N 3.16Å; K434-H436 VanDerWaalsContact O-N 3.17Å; K434-H436 PolarHBondContact O-ND1 3.49Å; H436-K1189 HydrophobicContact CB-CB 4.13Å; H436-K1189 HydrophobicContact CB-CD 4.39Å; H436-K1189 WeakPolarHBondContact O-CB 3.45Å; H436-K1189 PolarHBondContact O-N 3.18Å
437	L	78.4	Confident	60.9	Low	27 Å²	27	70.8 Å²	70.8	14%	0.141	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.3	175.6	-66.7	179.9	0	0	0	112.8	Y1153 G1175 L1178 A1179 Y1186 I1188	L437-Y1153 HydrophobicContact CD1-CD1 4.36Å; L437-Y1153 HydrophobicContact CD1-CE1 3.83Å; L437-Y1153 HydrophobicContact CG-CE1 4.13Å; L437-G1175 WeakPolarHBondContact CD2-O 3.49Å; L437-L1178 HydrophobicContact CD1-CB 3.38Å; L437-L1178 HydrophobicContact CD1-CD1 3.3Å; L437-L1178 HydrophobicContact CD1-CD2 4.49Å; L437-L1178 HydrophobicContact CD1-CG 3.78Å; L437-L1178 HydrophobicContact CD2-CB 4.36Å; L437-L1178 HydrophobicContact CG-CB 4.47Å; L437-A1179 HydrophobicContact CD2-CB 4.35Å; L437-Y1186 HydrophobicContact CD1-CD1 4.05Å; L437-Y1186 HydrophobicContact CD1-CG 4.02Å; L437-I1188 HydrophobicContact CD2-CG1 4.32Å
438	L	77.2	Confident	61.5	Low	62 Å²	62	67.5 Å²	67.5	33%	0.325	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	143.4	159.3	-57.1	174.4	0	0	0	108.4	Y1186 S1187 K1189	L438-Y1186 WeakPolarHBondContact O-CA 3.4Å; L438-S1187 PolarHBondContact N-O 3.47Å; L438-S1187 PolarHBondContact O-N 2.9Å; L438-K1189 HydrophobicContact CD1-CB 4.43Å; L438-K1189 HydrophobicContact CD1-CG 4.5Å; L438-K1189 HydrophobicContact CD2-CB 4.25Å; L438-K1189 HydrophobicContact CD2-CG 4.22Å; L438-K1189 HydrophobicContact CG-CB 3.99Å; L438-K1189 HydrophobicContact CG-CG 4.34Å
439	V	75.8	Confident	61.8	Low	55 Å²	55	66.6 Å²	66.6	33%	0.333	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.3	-178.2	-171.6	0	0	0	0	109.3	V1130 F1185 Y1186	V439-V1130 HydrophobicContact CG1-CG1 4.45Å; V439-V1130 HydrophobicContact CG2-CG1 3.36Å; V439-F1185 CarbonylContact C-O 3.56Å; V439-F1185 VanDerWaalsContact CA-O 3.31Å; V439-F1185 WeakPolarHBondContact CA-O 3.37Å; V439-Y1186 HydrophobicContact CG1-CE1 4.29Å; V439-Y1186 HydrophobicContact CG2-CE1 4.35Å
440	H	71.6	Confident	62.1	Low	59 Å²	59	73.6 Å²	73.6	27%	0.273	41%	0.407	S	S	.	.			trans	-102.9	125	174.6	-59.6	-56.1	0	0	0	110	L442 F1185 S1187	H440-L442 HydrophobicContact CB-CG 4.26Å; H440-L442 PolarHBondContact O-N 3.13Å; H440-F1185 PolarHBondContact N-O 3.09Å; H440-F1185 VanDerWaalsContact O-CD1 3.3Å; H440-F1185 WeakPolarHBondContact O-CD1 3.32Å; H440-S1187 PolarHBondContact NE2-OG 3.05Å
441	N	66.6	Low	61.9	Low	108 Å²	108	74.3 Å²	74.3	58%	0.578	41%	0.409	S	S	*	.			trans	-96.5	68.9	171.1	-72.5	-14.6	0	0	0	108.8	V443	N441-V443 PolarHBondContact O-N 3.2Å
442	L	66.2	Low	61.9	Low	48 Å²	48	76.2 Å²	76.2	25%	0.251	42%	0.423	S	S	.	.			trans	-74.4	115	172.8	-64.2	-178	0	0	0	109.4	H440 Y962 W965 M1184 L1206 M1209	H440-L442 HydrophobicContact CB-CG 4.26Å; H440-L442 PolarHBondContact O-N 3.13Å; L442-Y962 VanDerWaalsContact O-CE2 3.32Å; L442-Y962 WeakPolarHBondContact O-CE2 3.31Å; L442-Y962 PolarHBondContact O-OH 3.28Å; L442-W965 HydrophobicContact CB-CH2 4.5Å; L442-M1184 HydrophobicContact CD1-CE 4.16Å; L442-M1184 WeakPolarHBondContact CD1-O 3.34Å; L442-L1206 HydrophobicContact CD2-CD1 4.45Å; L442-M1209 HydrophobicContact CD1-CE 4.31Å
443	V	65.8	Low	61.8	Low	87 Å²	87	81.6 Å²	81.6	53%	0.527	43%	0.434	S	S	.	.			trans	-94.3	127.9	167.2	178.9	0	0	0	0	107.3	N441 L447	N441-V443 PolarHBondContact O-N 3.2Å; V443-L447 HydrophobicContact CG1-CB 3.88Å
444	P	64.1	Low	61.6	Low	0 Å²	0	81.9 Å²	81.9	0%	0	43%	0.428	C	S	.	.			trans	-69.3	144.5	-179	28.4	-36.1	0	0	0	110.8	F446 L447 Y962 W965	P444-F446 HydrophobicContact CB-CD1 3.65Å; P444-F446 HydrophobicContact CB-CE1 3.49Å; P444-F446 VanDerWaalsContact CB-CE1 3.49Å; P444-F446 HydrophobicContact CB-CZ 4.39Å; P444-F446 HydrophobicContact CG-CD1 3.92Å; P444-F446 HydrophobicContact CG-CE1 3.44Å; P444-F446 VanDerWaalsContact CG-CE1 3.44Å; P444-F446 HydrophobicContact CG-CZ 3.85Å; P444-F446 PolarHBondContact O-N 3.49Å; P444-L447 HydrophobicContact CG-CB 4.49Å; P444-L447 HydrophobicContact CG-CD1 3.73Å; P444-L447 HydrophobicContact CG-CG 4Å; P444-L447 PolarHBondContact O-N 2.89Å; P444-Y962 HydrophobicContact CG-CD2 4.12Å; P444-W965 HydrophobicContact CB-CD2 3.86Å; P444-W965 HydrophobicContact CB-CE3 4.19Å; P444-W965 HydrophobicContact CB-CG 4.39Å; P444-W965 HydrophobicContact CB-CH2 4.15Å; P444-W965 HydrophobicContact CB-CZ2 3.83Å; P444-W965 HydrophobicContact CB-CZ3 4.33Å; P444-W965 HydrophobicContact CG-CD2 3.83Å; P444-W965 HydrophobicContact CG-CE3 3.87Å; P444-W965 HydrophobicContact CG-CG 4.26Å; P444-W965 HydrophobicContact CG-CZ3 4.24Å
445	P	58.9	Low	61.3	Low	49 Å²	49	87.8 Å²	87.8	32%	0.318	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-58.3	-23.6	-173.8	-30	38.2	0	0	0	115.9	L447 D448 M1213	P445-L447 PolarHBondContact O-N 2.71Å; P445-D448 PolarHBondContact O-N 2.74Å; P445-D448 VanDerWaalsContact O-N 3.15Å; P445-M1213 HydrophobicContact CB-CE 3.62Å; P445-M1213 HydrophobicContact CB-SD 3.66Å; P445-M1213 HydrophobicContact CG-CE 3.62Å; P445-M1213 HydrophobicContact CG-SD 4.23Å
446	F	64.7	Low	60.5	Low	62 Å²	62	92.1 Å²	92.1	27%	0.272	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-69.5	-10.7	174.5	75.9	-95.3	0	0	0	114.2	P444 M961 W965 N972	P444-F446 HydrophobicContact CB-CD1 3.65Å; P444-F446 HydrophobicContact CB-CE1 3.49Å; P444-F446 VanDerWaalsContact CB-CE1 3.49Å; P444-F446 HydrophobicContact CB-CZ 4.39Å; P444-F446 HydrophobicContact CG-CD1 3.92Å; P444-F446 HydrophobicContact CG-CE1 3.44Å; P444-F446 VanDerWaalsContact CG-CE1 3.44Å; P444-F446 HydrophobicContact CG-CZ 3.85Å; P444-F446 PolarHBondContact O-N 3.49Å; F446-M961 HydrophobicContact CE2-CB 4.06Å; F446-M961 HydrophobicContact CE2-SD 4.13Å; F446-W965 HydrophobicContact CE1-CB 4.31Å; F446-W965 AromaticContact CE1-CD1 3.87Å; F446-W965 HydrophobicContact CE1-CG 4.04Å; F446-W965 HydrophobicContact CZ-CB 4.15Å; F446-W965 HydrophobicContact CZ-CG 4.37Å; F446-N972 VanDerWaalsContact CD1-O 3.28Å; F446-N972 WeakPolarHBondContact CD1-O 3.35Å
447	L	65.3	Low	59.6	Low	35 Å²	35	92.1 Å²	92.1	18%	0.183	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-105.6	-1.8	172.4	-58.8	178.3	0	0	0	112.7	V443 P444 P445 G449 L958 Y962	V443-L447 HydrophobicContact CG1-CB 3.88Å; P444-L447 HydrophobicContact CG-CB 4.49Å; P444-L447 HydrophobicContact CG-CD1 3.73Å; P444-L447 HydrophobicContact CG-CG 4Å; P444-L447 PolarHBondContact O-N 2.89Å; P445-L447 PolarHBondContact O-N 2.71Å; L447-G449 VanDerWaalsContact C-N 3.3Å; L447-G449 PolarHBondContact O-N 3.5Å; L447-L958 HydrophobicContact CD2-CB 4.23Å; L447-L958 HydrophobicContact CD2-CD2 3.52Å; L447-L958 HydrophobicContact CD2-CG 4.46Å; L447-Y962 HydrophobicContact CD1-CD2 4Å; L447-Y962 HydrophobicContact CD1-CG 4.3Å
448	D	54.8	Low	58.8	Low	99 Å²	99	97.9 Å²	97.9	53%	0.529	51%	0.506	S	S	.	.	S	Bend	trans	-81.9	67.8	-172.2	-171.2	38	0	0	0	113.2	P445 R450	P445-D448 PolarHBondContact O-N 2.74Å; P445-D448 VanDerWaalsContact O-N 3.15Å; D448-R450 VanDerWaalsContact C-N 3.25Å; D448-R450 WeakPolarHBondContact O-CG 3.38Å; D448-R450 PolarHBondContact O-N 3.32Å
449	G	54.2	Low	58.3	Low	57 Å²	57	97.4 Å²	97.4	59%	0.588	51%	0.506	S	S	*	.	S	Bend	trans	64.3	-13.8	149.1	0	0	0	0	0	120.7	L447 I451	L447-G449 VanDerWaalsContact C-N 3.3Å; L447-G449 PolarHBondContact O-N 3.5Å; G449-I451 PolarHBondContact O-N 3.25Å
450	R	46.3	Very low	58.1	Low	229 Å²	229	97.3 Å²	97.3	86%	0.864	50%	0.503	S	S	*	.	S	Bend	trans	-73.8	1.3	-167.6	-70.6	-178.1	-171.7	-148	0.7	116.2	D448	D448-R450 VanDerWaalsContact C-N 3.25Å; D448-R450 WeakPolarHBondContact O-CG 3.38Å; D448-R450 PolarHBondContact O-N 3.32Å
451	I	42.3	Very low	58.3	Low	147 Å²	147	98.2 Å²	98.2	75%	0.754	51%	0.513	S	S	*	.			trans	-139.7	84.7	176.9	-49.5	-179.7	0	0	0	109.6	G449 F453	G449-I451 PolarHBondContact O-N 3.25Å; I451-F453 HydrophobicContact CG2-CD2 3.92Å
452	V	46.1	Very low	58.8	Low	120 Å²	120	93.5 Å²	93.5	73%	0.727	49%	0.488	S	S	*	.			trans	-97.9	100.5	171.1	179.8	0	0	0	0	108.8
453	F	45.2	Very low	59.6	Low	184 Å²	184	91.8 Å²	91.8	81%	0.807	48%	0.479	S	S	*	.			trans	-143.8	32.4	-174.2	-86.1	-67.4	0	0	0	115.8	I451	I451-F453 HydrophobicContact CG2-CD2 3.92Å
454	T	47.1	Very low	60.2	Low	86 Å²	86	93.3 Å²	93.3	53%	0.528	48%	0.479	S	S	.	.			trans	-129.8	-179.4	164.3	73.3	0	0	0	0	113	E954	T454-E954 VanDerWaalsContact CB-OE1 3.32Å; T454-E954 WeakPolarHBondContact CB-OE1 3.42Å; T454-E954 WeakPolarHBondContact CG2-OE1 3.44Å; T454-E954 PolarHBondContact OG1-OE1 2.89Å; T454-E954 PolarHBondContact OG1-OE2 3.32Å
455	K	52.8	Low	61	Low	202 Å²	202	96.7 Å²	96.7	88%	0.878	50%	0.497	S	S	*	.	S	Bend	trans	-111.8	1.5	-163.3	-64.5	-178.2	178.1	178.6	0	114.9
456	Q	52.3	Low	62	Low	127 Å²	127	97.6 Å²	97.6	59%	0.593	50%	0.503	S	S	*	.			trans	-137.7	78.3	-170.8	-69	-173.3	-14.8	0	0	112.4
457	P	56.2	Low	62.8	Low	91 Å²	91	99.4 Å²	99.4	59%	0.591	52%	0.519	S	S	*	.			trans	-84.5	-1.5	179.4	35.5	-37.1	0	0	0	114.3
458	E	62.2	Low	63.6	Low	149 Å²	149	98.4 Å²	98.4	70%	0.696	52%	0.515	S	S	*	.	S	Bend	trans	-102.4	140.5	-174.5	-62.3	-156.9	141.2	0	0	113.2	I460	E458-I460 PolarHBondContact O-N 2.96Å
459	P	66.4	Low	64.9	Low	51 Å²	51	98 Å²	98	33%	0.331	51%	0.513	S	S	.	.			trans	-68.9	125.4	177.1	28.3	-34.1	0	0	0	111	V461 P868	P459-V461 PolarHBondContact O-N 3.3Å; P459-P868 HydrophobicContact CB-CG 4.4Å
460	I	70.6	Confident	66.2	Low	53 Å²	53	95.6 Å²	95.6	27%	0.272	49%	0.486	S	S	.	.			trans	-71.4	100.3	-173.4	-55.9	172.7	0	0	0	110.6	E458 I920 Q924 P953	E458-I460 PolarHBondContact O-N 2.96Å; I460-I920 HydrophobicContact CG2-CD1 3.8Å; I460-I920 HydrophobicContact CG2-CG1 4.28Å; I460-I920 HydrophobicContact CG2-CG2 4.45Å; I460-Q924 HydrophobicContact CD1-CB 4.42Å; I460-Q924 HydrophobicContact CD1-CG 4.41Å; I460-P953 HydrophobicContact CD1-CG 4.31Å; I460-P953 HydrophobicContact CG1-CG 4.35Å
461	V	76.8	Confident	67.9	Low	79 Å²	79	84.7 Å²	84.7	48%	0.479	45%	0.445	S	S	.	.			trans	-67.4	132.9	172.4	-179	0	0	0	0	109.4	P459 V463	P459-V461 PolarHBondContact O-N 3.3Å; V461-V463 HydrophobicContact CG1-CB 4.14Å; V461-V463 HydrophobicContact CG1-CG2 4.17Å; V461-V463 PolarHBondContact O-N 3.12Å
462	P	77.6	Confident	69.9	Low	8 Å²	8	80.7 Å²	80.7	5%	0.052	43%	0.425	C	S	.	.	S	Bend	trans	-79.4	45.3	-179.2	33.2	-35.8	0	0	0	113.6	V865 Y878 I920	P462-V865 HydrophobicContact CG-CG2 3.94Å; P462-Y878 HydrophobicContact CG-CD1 3.88Å; P462-Y878 HydrophobicContact CG-CD2 3.93Å; P462-Y878 HydrophobicContact CG-CE1 3.71Å; P462-Y878 HydrophobicContact CG-CE2 3.76Å; P462-Y878 HydrophobicContact CG-CG 3.97Å; P462-I920 HydrophobicContact CB-CD1 4Å
463	V	82.3	Confident	71.7	Confident	13 Å²	13	75.6 Å²	75.6	8%	0.079	39%	0.393	C	S	.	.			trans	-143.7	129.3	177.9	-175.9	0	0	0	0	108	V461 D465 A471 Y878	V461-V463 HydrophobicContact CG1-CB 4.14Å; V461-V463 HydrophobicContact CG1-CG2 4.17Å; V461-V463 PolarHBondContact O-N 3.12Å; V463-D465 WeakPolarHBondContact CG1-O 3.2Å; V463-A471 HydrophobicContact CG1-CB 3.62Å; V463-Y878 HydrophobicContact CG2-CD1 3.42Å; V463-Y878 VanDerWaalsContact CG2-CD1 3.42Å; V463-Y878 HydrophobicContact CG2-CE1 3.63Å
464	K	78.6	Confident	73.5	Confident	119 Å²	119	67.3 Å²	67.3	52%	0.517	36%	0.358	S	S	.	.	S	Bend	trans	-67.7	-36.7	-179.7	-171.7	179.3	168.3	-165.9	0	113.3	N913 E914 L916	K464-N913 WeakPolarHBondContact CD-O 3.29Å; K464-N913 WeakPolarHBondContact CE-O 3.49Å; K464-N913 PolarHBondContact NZ-O 3.17Å; K464-E914 WeakPolarHBondContact CB-O 3.38Å; K464-L916 HydrophobicContact CB-CD2 3.84Å; K464-L916 HydrophobicContact CB-CG 4.37Å; K464-L916 HydrophobicContact CG-CD2 4.35Å
465	D	80.2	Confident	75.2	Confident	71 Å²	71	70.6 Å²	70.6	38%	0.38	36%	0.361	S	S	.	.			trans	-139.1	114.2	174.5	-173.5	-29	0	0	0	110.1	V463 T467 S468	V463-D465 WeakPolarHBondContact CG1-O 3.2Å; D465-T467 PolarHBondContact O-N 3.02Å; D465-T467 VanDerWaalsContact O-N 3.16Å; D465-T467 WeakPolarHBondContact OD1-CA 3.27Å; D465-T467 WeakPolarHBondContact OD1-CB 3.47Å; D465-T467 PolarHBondContact OD1-N 3.11Å; D465-T467 PolarHBondContact OD1-OG1 3.31Å; D465-T467 PolarHBondContact OD2-OG1 3.11Å; D465-S468 WeakPolarHBondContact O-CB 3.43Å; D465-S468 PolarHBondContact O-N 2.88Å; D465-S468 PolarHBondContact O-OG 2.65Å
466	P	79.2	Confident	76.6	Confident	68 Å²	68	66.1 Å²	66.1	44%	0.442	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-3	-178.6	32	-36.7	0	0	0	114.2	R475	P466-R475 PolarHBondContact O-NH1 3.1Å
467	T	83.1	Confident	78	Confident	99 Å²	99	61.2 Å²	61.2	61%	0.607	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-10.7	175.3	73.3	0	0	0	0	113.5	D465 I472	D465-T467 PolarHBondContact O-N 3.02Å; D465-T467 VanDerWaalsContact O-N 3.16Å; D465-T467 WeakPolarHBondContact OD1-CA 3.27Å; D465-T467 WeakPolarHBondContact OD1-CB 3.47Å; D465-T467 PolarHBondContact OD1-N 3.11Å; D465-T467 PolarHBondContact OD1-OG1 3.31Å; D465-T467 PolarHBondContact OD2-OG1 3.11Å; T467-I472 VanDerWaalsContact O-CD1 3.25Å; T467-I472 WeakPolarHBondContact O-CD1 3.23Å
468	S	81.6	Confident	79.3	Confident	14 Å²	14	57 Å²	57	10%	0.098	30%	0.297	C	S	.	.	S	Bend	trans	-60	149.8	179.8	59.1	0	0	0	0	114.2	D465 M470 A471 I472	D465-S468 WeakPolarHBondContact O-CB 3.43Å; D465-S468 PolarHBondContact O-N 2.88Å; D465-S468 PolarHBondContact O-OG 2.65Å; S468-M470 VanDerWaalsContact C-N 3.33Å; S468-M470 PolarHBondContact O-N 3.36Å; S468-A471 PolarHBondContact O-N 3.19Å; S468-A471 VanDerWaalsContact OG-CB 3.29Å; S468-A471 WeakPolarHBondContact OG-CB 3.5Å; S468-I472 WeakPolarHBondContact O-CG1 3.46Å; S468-I472 PolarHBondContact O-N 3.32Å
469	D	82.3	Confident	80.3	Confident	91 Å²	91	54.4 Å²	54.4	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-57.4	-44	-179.4	-78.5	-26.1	0	0	0	111.8	A471 I472 I473	D469-A471 VanDerWaalsContact C-N 3.3Å; D469-A471 PolarHBondContact O-N 2.84Å; D469-I472 PolarHBondContact O-N 3Å; D469-I473 WeakPolarHBondContact O-CB 3.49Å; D469-I473 WeakPolarHBondContact O-CD1 3.37Å; D469-I473 VanDerWaalsContact O-CG1 3.28Å; D469-I473 WeakPolarHBondContact O-CG1 3.35Å; D469-I473 PolarHBondContact O-N 3.39Å
470	M	80.9	Confident	81.2	Confident	7 Å²	7	53 Å²	53	3%	0.034	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-37.4	176.5	-70.4	-161.2	76.1	0	0	112.6	S468 S474 Y860 P879 Y906 A910 E914 M915	S468-M470 VanDerWaalsContact C-N 3.33Å; S468-M470 PolarHBondContact O-N 3.36Å; M470-S474 WeakPolarHBondContact O-CB 3.32Å; M470-S474 PolarHBondContact O-N 3.24Å; M470-Y860 HydrophobicContact CB-CE1 4.43Å; M470-Y860 HydrophobicContact CE-CD1 4.49Å; M470-Y860 HydrophobicContact CE-CE1 3.82Å; M470-Y860 HydrophobicContact CE-CE2 4.43Å; M470-P879 HydrophobicContact CB-CB 4.37Å; M470-P879 HydrophobicContact CE-CB 4.08Å; M470-Y906 HydrophobicContact CE-CD1 4.1Å; M470-Y906 HydrophobicContact CE-CG 4.21Å; M470-Y906 HydrophobicContact SD-CG 4.24Å; M470-A910 HydrophobicContact SD-CB 4.17Å; M470-E914 WeakPolarHBondContact CG-OE2 3.43Å; M470-E914 PolarHBondContact N-OE2 2.9Å; M470-M915 HydrophobicContact CE-CE 3.73Å; M470-M915 HydrophobicContact SD-CE 3.75Å
471	A	82	Confident	81.8	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-74.1	-29.5	177.4	0	0	0	0	0	113	V463 S468 D469 R475	V463-A471 HydrophobicContact CG1-CB 3.62Å; S468-A471 PolarHBondContact O-N 3.19Å; S468-A471 VanDerWaalsContact OG-CB 3.29Å; S468-A471 WeakPolarHBondContact OG-CB 3.5Å; D469-A471 VanDerWaalsContact C-N 3.3Å; D469-A471 PolarHBondContact O-N 2.84Å; A471-R475 WeakPolarHBondContact O-CD 3.31Å; A471-R475 VanDerWaalsContact O-CG 3.29Å; A471-R475 WeakPolarHBondContact O-CG 3.14Å; A471-R475 PolarHBondContact O-N 2.91Å
472	I	84.8	Confident	82.2	Confident	63 Å²	63	54.1 Å²	54.1	32%	0.323	27%	0.268	S	S	.	.	H	α-helix	trans	-71.8	-43.6	172.7	-68.6	171.4	0	0	0	110.2	T467 S468 D469 R475 K476	T467-I472 VanDerWaalsContact O-CD1 3.25Å; T467-I472 WeakPolarHBondContact O-CD1 3.23Å; S468-I472 WeakPolarHBondContact O-CG1 3.46Å; S468-I472 PolarHBondContact O-N 3.32Å; D469-I472 PolarHBondContact O-N 3Å; I472-R475 PolarHBondContact O-N 3.12Å; I472-K476 HydrophobicContact CG2-CD 4Å; I472-K476 HydrophobicContact CG2-CG 4.41Å; I472-K476 WeakPolarHBondContact O-CG 3.39Å; I472-K476 PolarHBondContact O-N 2.7Å
473	I	83.9	Confident	82.5	Confident	12 Å²	12	59 Å²	59	6%	0.062	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-44.6	177	-68	162	0	0	0	110.8	D469 R475 K476 G477 E754 Y756 Y860	D469-I473 WeakPolarHBondContact O-CB 3.49Å; D469-I473 WeakPolarHBondContact O-CD1 3.37Å; D469-I473 VanDerWaalsContact O-CG1 3.28Å; D469-I473 WeakPolarHBondContact O-CG1 3.35Å; D469-I473 PolarHBondContact O-N 3.39Å; I473-R475 VanDerWaalsContact C-N 3.26Å; I473-R475 PolarHBondContact O-N 2.85Å; I473-K476 PolarHBondContact O-N 2.88Å; I473-K476 VanDerWaalsContact O-N 3.13Å; I473-G477 PolarHBondContact O-N 3.25Å; I473-E754 WeakPolarHBondContact CG2-O 3.37Å; I473-Y756 HydrophobicContact CG2-CD1 4.44Å; I473-Y860 HydrophobicContact CG2-CE2 4.29Å; I473-Y860 WeakPolarHBondContact CG2-OH 3.41Å
474	S	83.3	Confident	82.5	Confident	10 Å²	10	60.1 Å²	60.1	7%	0.07	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-31.8	179.8	92.4	0	0	0	0	112.9	M470 V877	M470-S474 WeakPolarHBondContact O-CB 3.32Å; M470-S474 PolarHBondContact O-N 3.24Å; S474-V877 WeakPolarHBondContact CB-O 3.35Å; S474-V877 PolarHBondContact OG-O 2.58Å
475	R	81.7	Confident	82.6	Confident	155 Å²	155	59.5 Å²	59.5	59%	0.585	29%	0.287	S	S	*	.	H	α-helix	trans	-77.2	-34.5	172.5	-69.7	172.9	-174.8	145.1	1	114	P466 A471 I472 I473	P466-R475 PolarHBondContact O-NH1 3.1Å; A471-R475 WeakPolarHBondContact O-CD 3.31Å; A471-R475 VanDerWaalsContact O-CG 3.29Å; A471-R475 WeakPolarHBondContact O-CG 3.14Å; A471-R475 PolarHBondContact O-N 2.91Å; I472-R475 PolarHBondContact O-N 3.12Å; I473-R475 VanDerWaalsContact C-N 3.26Å; I473-R475 PolarHBondContact O-N 2.85Å
476	K	82.4	Confident	82.7	Confident	109 Å²	109	61.4 Å²	61.4	47%	0.474	29%	0.294	S	S	.	.	H	α-helix	trans	-71.2	-37.4	178	-77.9	172.9	175.1	175.3	0	112.3	I472 I473 E754	I472-K476 HydrophobicContact CG2-CD 4Å; I472-K476 HydrophobicContact CG2-CG 4.41Å; I472-K476 WeakPolarHBondContact O-CG 3.39Å; I472-K476 PolarHBondContact O-N 2.7Å; I473-K476 PolarHBondContact O-N 2.88Å; I473-K476 VanDerWaalsContact O-N 3.13Å; K476-E754 IonicContact NZ-OE1 3.2Å; K476-E754 PolarHBondContact NZ-OE1 3.02Å
477	G	82.2	Confident	82.8	Confident	23 Å²	23	63.3 Å²	63.3	24%	0.237	30%	0.297	C	S	.	.			trans	72.4	169.3	-169.8	0	0	0	0	0	113.4	I473	I473-G477 PolarHBondContact O-N 3.25Å
478	S	84.1	Confident	82.6	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.014	29%	0.285	C	S	.	.			trans	-62.7	133.9	174.3	167.7	0	0	0	0	111.6	L480 V481 R482 D755	S478-L480 WeakPolarHBondContact OG-CB 3.29Å; S478-L480 PolarHBondContact OG-N 2.88Å; S478-V481 PolarHBondContact OG-N 3.41Å; S478-V481 VanDerWaalsContact OG-N 3.14Å; S478-R482 WeakPolarHBondContact O-CG 3.22Å; S478-R482 PolarHBondContact O-N 3.1Å; S478-D755 WeakPolarHBondContact CB-OD1 3.28Å; S478-D755 VanDerWaalsContact OG-CG 3.23Å; S478-D755 PolarHBondContact OG-OD1 3.48Å; S478-D755 PolarHBondContact OG-OD2 2.81Å; S478-D755 VanDerWaalsContact OG-OD2 3.09Å
479	Q	82.9	Confident	82.4	Confident	96 Å²	96	66.2 Å²	66.2	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-72.5	-35.9	171.9	-54.1	-174	22.8	0	0	110.8	R482 K483 D755	Q479-R482 PolarHBondContact O-N 2.77Å; Q479-K483 WeakPolarHBondContact O-CG 3.35Å; Q479-K483 PolarHBondContact O-N 3.02Å; Q479-D755 WeakPolarHBondContact CA-OD2 3.48Å; Q479-D755 WeakPolarHBondContact CB-OD2 3.2Å; Q479-D755 PolarHBondContact N-OD2 3.01Å
480	L	83.9	Confident	82.1	Confident	22 Å²	22	70 Å²	70	12%	0.115	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-46.1	178.5	-169.9	70.2	0	0	0	111.5	S478 R482 K483 H484 D755 V757 E758	S478-L480 WeakPolarHBondContact OG-CB 3.29Å; S478-L480 PolarHBondContact OG-N 2.88Å; L480-R482 PolarHBondContact O-N 2.97Å; L480-K483 PolarHBondContact O-N 2.91Å; L480-H484 PolarHBondContact O-N 3.11Å; L480-D755 PolarHBondContact N-OD2 3.31Å; L480-V757 HydrophobicContact CD2-CB 4.05Å; L480-V757 HydrophobicContact CD2-CG1 3.79Å; L480-E758 HydrophobicContact CD2-CB 3.87Å; L480-E758 HydrophobicContact CD2-CG 4.25Å
481	V	84.1	Confident	81.8	Confident	10 Å²	10	76.3 Å²	76.3	6%	0.061	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-45.1	174.7	173.5	0	0	0	0	110.9	S478 H484 R485 V757 E784 V788	S478-V481 PolarHBondContact OG-N 3.41Å; S478-V481 VanDerWaalsContact OG-N 3.14Å; V481-H484 PolarHBondContact O-N 3.19Å; V481-R485 WeakPolarHBondContact O-CB 3.46Å; V481-R485 PolarHBondContact O-N 3.02Å; V481-V757 HydrophobicContact CG2-CB 4.44Å; V481-V757 HydrophobicContact CG2-CG2 3.72Å; V481-E784 HydrophobicContact CG1-CG 3.85Å; V481-V788 HydrophobicContact CB-CG2 4.5Å; V481-V788 HydrophobicContact CG1-CG2 4.3Å; V481-V788 HydrophobicContact CG2-CB 4.15Å; V481-V788 HydrophobicContact CG2-CG1 4.13Å; V481-V788 HydrophobicContact CG2-CG2 4.17Å
482	R	84.6	Confident	81.2	Confident	144 Å²	144	80.1 Å²	80.1	54%	0.543	35%	0.352	S	S	.	.	H	α-helix	trans	-62.1	-45.4	177.7	-71.2	174.7	58.6	167	-1.5	112.6	S478 Q479 L480 H484 R485 E486	S478-R482 WeakPolarHBondContact O-CG 3.22Å; S478-R482 PolarHBondContact O-N 3.1Å; Q479-R482 PolarHBondContact O-N 2.77Å; L480-R482 PolarHBondContact O-N 2.97Å; R482-H484 PolarHBondContact O-N 3.35Å; R482-R485 WeakPolarHBondContact O-CB 3.38Å; R482-R485 PolarHBondContact O-N 3.02Å; R482-E486 WeakPolarHBondContact O-CB 3.39Å; R482-E486 WeakPolarHBondContact O-CG 3.32Å; R482-E486 PolarHBondContact O-N 3.5Å
483	K	84.8	Confident	80.3	Confident	110 Å²	110	80 Å²	80	48%	0.478	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-44.2	174.5	-72.6	167	-176.5	166.8	0	111.7	Q479 L480 R485 E486 Q487	Q479-K483 WeakPolarHBondContact O-CG 3.35Å; Q479-K483 PolarHBondContact O-N 3.02Å; L480-K483 PolarHBondContact O-N 2.91Å; K483-R485 VanDerWaalsContact C-N 3.34Å; K483-E486 PolarHBondContact O-N 3.13Å; K483-Q487 WeakPolarHBondContact O-CB 3.37Å; K483-Q487 VanDerWaalsContact O-CG 3.26Å; K483-Q487 WeakPolarHBondContact O-CG 3.38Å; K483-Q487 PolarHBondContact O-N 3.28Å
484	H	81.9	Confident	79.3	Confident	37 Å²	37	84 Å²	84	17%	0.171	38%	0.379	C	S	.	.	H	α-helix	trans	-65.8	-38.6	177.6	-169.7	-124.3	0	0	0	111.7	L480 V481 R482 Q487 K488 V788 D791	L480-H484 PolarHBondContact O-N 3.11Å; V481-H484 PolarHBondContact O-N 3.19Å; R482-H484 PolarHBondContact O-N 3.35Å; H484-Q487 PolarHBondContact O-N 3.39Å; H484-K488 VanDerWaalsContact O-CB 3.22Å; H484-K488 WeakPolarHBondContact O-CB 3.45Å; H484-K488 PolarHBondContact O-N 3.05Å; H484-V788 HydrophobicContact CB-CG1 4.26Å; H484-V788 HydrophobicContact CB-CG2 4.26Å; H484-D791 IonicContact CE1-OD2 3.19Å; H484-D791 PolarHBondContact CE1-OD2 2.77Å
485	R	81.1	Confident	78.3	Confident	106 Å²	106	88.8 Å²	88.8	40%	0.4	40%	0.4	S	S	.	.	H	α-helix	trans	-61.8	-50.5	172.9	177.3	178.9	170.2	152.2	5.9	111.9	V481 R482 K483 Q487 K488 E489	V481-R485 WeakPolarHBondContact O-CB 3.46Å; V481-R485 PolarHBondContact O-N 3.02Å; R482-R485 WeakPolarHBondContact O-CB 3.38Å; R482-R485 PolarHBondContact O-N 3.02Å; K483-R485 VanDerWaalsContact C-N 3.34Å; R485-Q487 VanDerWaalsContact C-N 3.3Å; R485-Q487 PolarHBondContact O-N 3.38Å; R485-K488 CarbonylContact O-C 3.58Å; R485-K488 PolarHBondContact O-N 2.94Å; R485-E489 HydrophobicContact CG-CG 4.39Å; R485-E489 IonicContact CZ-OE1 2.57Å; R485-E489 VanDerWaalsContact CZ-OE1 3.25Å; R485-E489 IonicContact NE-OE1 3.59Å; R485-E489 PolarHBondContact NE-OE1 2.86Å; R485-E489 IonicContact NH2-OE1 2.6Å; R485-E489 PolarHBondContact NH2-OE1 3.26Å; R485-E489 WeakPolarHBondContact O-CB 3.48Å; R485-E489 WeakPolarHBondContact O-CG 3.16Å; R485-E489 PolarHBondContact O-N 3.45Å
486	E	82.3	Confident	77.2	Confident	111 Å²	111	86.6 Å²	86.6	52%	0.519	39%	0.394	S	S	.	.	H	α-helix	trans	-59	-40.8	176.7	-72.3	163.9	-159.2	0	0	111.3	R482 K483 R490	R482-E486 WeakPolarHBondContact O-CB 3.39Å; R482-E486 WeakPolarHBondContact O-CG 3.32Å; R482-E486 PolarHBondContact O-N 3.5Å; K483-E486 PolarHBondContact O-N 3.13Å; E486-R490 WeakPolarHBondContact O-CB 3.48Å; E486-R490 PolarHBondContact O-N 2.98Å
487	Q	81.6	Confident	75.8	Confident	108 Å²	108	88 Å²	88	51%	0.505	40%	0.403	S	S	.	.	H	α-helix	trans	-65.5	-37.1	172.5	-74.1	175.7	0.2	0	0	112.9	K483 H484 R485 K491	K483-Q487 WeakPolarHBondContact O-CB 3.37Å; K483-Q487 VanDerWaalsContact O-CG 3.26Å; K483-Q487 WeakPolarHBondContact O-CG 3.38Å; K483-Q487 PolarHBondContact O-N 3.28Å; H484-Q487 PolarHBondContact O-N 3.39Å; R485-Q487 VanDerWaalsContact C-N 3.3Å; R485-Q487 PolarHBondContact O-N 3.38Å; Q487-K491 WeakPolarHBondContact O-CB 3.43Å; Q487-K491 VanDerWaalsContact O-CG 3.29Å; Q487-K491 WeakPolarHBondContact O-CG 3.39Å; Q487-K491 PolarHBondContact O-N 2.82Å
488	K	78.9	Confident	74.5	Confident	81 Å²	81	96.7 Å²	96.7	35%	0.352	43%	0.428	S	S	.	.	H	α-helix	trans	-74.5	-39	180	-164	164.1	-168.4	159.8	0	111.6	H484 R485 K492	H484-K488 VanDerWaalsContact O-CB 3.22Å; H484-K488 WeakPolarHBondContact O-CB 3.45Å; H484-K488 PolarHBondContact O-N 3.05Å; R485-K488 CarbonylContact O-C 3.58Å; R485-K488 PolarHBondContact O-N 2.94Å; K488-K492 WeakPolarHBondContact O-CB 3.48Å; K488-K492 WeakPolarHBondContact O-CG 3.35Å; K488-K492 PolarHBondContact O-N 2.65Å
489	E	75.8	Confident	73	Confident	94 Å²	94	100.7 Å²	100.7	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-64.3	-42	170.2	-71.7	176.2	178.3	0	0	110.7	R485 K492 A493	R485-E489 HydrophobicContact CG-CG 4.39Å; R485-E489 IonicContact CZ-OE1 2.57Å; R485-E489 VanDerWaalsContact CZ-OE1 3.25Å; R485-E489 IonicContact NE-OE1 3.59Å; R485-E489 PolarHBondContact NE-OE1 2.86Å; R485-E489 IonicContact NH2-OE1 2.6Å; R485-E489 PolarHBondContact NH2-OE1 3.26Å; R485-E489 WeakPolarHBondContact O-CB 3.48Å; R485-E489 WeakPolarHBondContact O-CG 3.16Å; R485-E489 PolarHBondContact O-N 3.45Å; E489-K492 PolarHBondContact O-N 2.88Å; E489-A493 WeakPolarHBondContact O-CB 3.38Å; E489-A493 PolarHBondContact O-N 2.81Å
490	R	76.3	Confident	71.5	Confident	169 Å²	169	99.8 Å²	99.8	64%	0.638	44%	0.444	S	S	*	.	H	α-helix	trans	-65.6	-44.6	173.2	176.5	172.4	164.3	176.9	-5.2	113.2	E486 K492 A493 Q494	E486-R490 WeakPolarHBondContact O-CB 3.48Å; E486-R490 PolarHBondContact O-N 2.98Å; R490-K492 VanDerWaalsContact C-N 3.32Å; R490-K492 PolarHBondContact O-N 3.1Å; R490-A493 PolarHBondContact O-N 2.96Å; R490-Q494 WeakPolarHBondContact O-CB 3.3Å; R490-Q494 WeakPolarHBondContact O-CG 3.18Å; R490-Q494 PolarHBondContact O-N 3.2Å
491	K	75	Confident	69.7	Low	140 Å²	140	99.9 Å²	99.9	61%	0.609	45%	0.448	S	S	*	.	H	α-helix	trans	-59.4	-42.7	173.5	-79.8	176.7	178	-179.8	0	110.5	Q487 Q494 H495	Q487-K491 WeakPolarHBondContact O-CB 3.43Å; Q487-K491 VanDerWaalsContact O-CG 3.29Å; Q487-K491 WeakPolarHBondContact O-CG 3.39Å; Q487-K491 PolarHBondContact O-N 2.82Å; K491-Q494 PolarHBondContact O-N 3.09Å; K491-H495 VanDerWaalsContact O-CB 3.31Å; K491-H495 WeakPolarHBondContact O-CB 3.41Å; K491-H495 PolarHBondContact O-N 2.99Å
492	K	68.7	Low	68.1	Low	81 Å²	81	102.2 Å²	102.2	35%	0.352	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-41.7	173.1	-79.3	-177.5	173.1	-168.4	0	113.3	K488 E489 R490 H495 K496 E1028	K488-K492 WeakPolarHBondContact O-CB 3.48Å; K488-K492 WeakPolarHBondContact O-CG 3.35Å; K488-K492 PolarHBondContact O-N 2.65Å; E489-K492 PolarHBondContact O-N 2.88Å; R490-K492 VanDerWaalsContact C-N 3.32Å; R490-K492 PolarHBondContact O-N 3.1Å; K492-H495 PolarHBondContact O-N 2.8Å; K492-K496 WeakPolarHBondContact O-CB 3.3Å; K492-K496 WeakPolarHBondContact O-CG 3.48Å; K492-K496 PolarHBondContact O-N 2.83Å; K492-E1028 IonicContact NZ-OE1 2.92Å; K492-E1028 PolarHBondContact NZ-OE1 3.18Å; K492-E1028 IonicContact NZ-OE2 3.99Å; K492-E1028 PolarHBondContact NZ-OE2 3.13Å
493	A	66.1	Low	67	Low	59 Å²	59	98.2 Å²	98.2	49%	0.488	47%	0.466	S	S	.	.	H	α-helix	trans	-65.6	-39	176.8	0	0	0	0	0	111.9	E489 R490 H497	E489-A493 WeakPolarHBondContact O-CB 3.38Å; E489-A493 PolarHBondContact O-N 2.81Å; R490-A493 PolarHBondContact O-N 2.96Å; A493-H497 WeakPolarHBondContact O-CB 3.16Å; A493-H497 PolarHBondContact O-N 2.75Å; A493-H497 VanDerWaalsContact O-N 3.09Å
494	Q	64.1	Low	65.5	Low	98 Å²	98	101.6 Å²	101.6	46%	0.458	48%	0.481	S	S	.	.	H	α-helix	trans	-66	-41.4	172.2	-70.7	174.1	-42.9	0	0	111.8	R490 K491 H497 W498	R490-Q494 WeakPolarHBondContact O-CB 3.3Å; R490-Q494 WeakPolarHBondContact O-CG 3.18Å; R490-Q494 PolarHBondContact O-N 3.2Å; K491-Q494 PolarHBondContact O-N 3.09Å; Q494-H497 PolarHBondContact O-N 3.23Å; Q494-W498 PolarHBondContact O-N 3.14Å
495	H	61.9	Low	63.9	Low	109 Å²	109	104.7 Å²	104.7	51%	0.505	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-50.4	176.9	-158.7	-93.8	0	0	0	111.2	K491 K492 H497 W498 E499	K491-H495 VanDerWaalsContact O-CB 3.31Å; K491-H495 WeakPolarHBondContact O-CB 3.41Å; K491-H495 PolarHBondContact O-N 2.99Å; K492-H495 PolarHBondContact O-N 2.8Å; H495-H497 PolarHBondContact O-N 3.01Å; H495-W498 CarbonylContact O-C 3.05Å; H495-W498 WeakPolarHBondContact O-CA 3.26Å; H495-W498 PolarHBondContact O-N 3.41Å; H495-E499 IonicContact CE1-OE1 2.7Å; H495-E499 PolarHBondContact CE1-OE1 3.39Å; H495-E499 IonicContact CE1-OE2 3.31Å; H495-E499 IonicContact CG-OE2 3.56Å; H495-E499 IonicContact ND1-OE1 3.22Å; H495-E499 PolarHBondContact ND1-OE1 2.94Å; H495-E499 IonicContact ND1-OE2 3.67Å; H495-E499 PolarHBondContact ND1-OE2 3.32Å; H495-E499 WeakPolarHBondContact O-CB 2.95Å; H495-E499 WeakPolarHBondContact O-CG 3.44Å; H495-E499 PolarHBondContact O-N 3.04Å
496	K	59.1	Low	62.7	Low	109 Å²	109	99.8 Å²	99.8	47%	0.474	48%	0.48	S	S	.	.	H	α-helix	trans	-55.1	-36.9	172.6	-76.3	168.9	171.4	-78.3	0	113.2	K492 W498 E499 L500 E1029	K492-K496 WeakPolarHBondContact O-CB 3.3Å; K492-K496 WeakPolarHBondContact O-CG 3.48Å; K492-K496 PolarHBondContact O-N 2.83Å; K496-W498 VanDerWaalsContact C-N 3.35Å; K496-E499 PolarHBondContact N-OE2 2.63Å; K496-L500 WeakPolarHBondContact O-CD1 3.28Å; K496-E1029 WeakPolarHBondContact CE-OE1 3.25Å; K496-E1029 IonicContact NZ-OE1 3.96Å; K496-E1029 PolarHBondContact NZ-OE1 3.26Å
497	H	52.1	Low	61.7	Low	140 Å²	140	99.5 Å²	99.5	65%	0.648	48%	0.483	S	S	*	.	H	α-helix	trans	-72.1	-27.8	176.2	-172.5	67.1	0	0	0	112.8	A493 Q494 H495	A493-H497 WeakPolarHBondContact O-CB 3.16Å; A493-H497 PolarHBondContact O-N 2.75Å; A493-H497 VanDerWaalsContact O-N 3.09Å; Q494-H497 PolarHBondContact O-N 3.23Å; H495-H497 PolarHBondContact O-N 3.01Å
498	W	54.5	Low	60.6	Low	205 Å²	205	101 Å²	101	78%	0.777	49%	0.493	S	S	*	.	H	α-helix	trans	-84.3	-31.5	173.7	-78	30.5	0	0	0	112.4	Q494 H495 K496 L500 A501	Q494-W498 PolarHBondContact O-N 3.14Å; H495-W498 CarbonylContact O-C 3.05Å; H495-W498 WeakPolarHBondContact O-CA 3.26Å; H495-W498 PolarHBondContact O-N 3.41Å; K496-W498 VanDerWaalsContact C-N 3.35Å; W498-L500 PolarHBondContact O-N 3.33Å; W498-A501 WeakPolarHBondContact O-CB 3.45Å; W498-A501 PolarHBondContact O-N 2.76Å
499	E	52.8	Low	59.1	Low	86 Å²	86	103.7 Å²	103.7	40%	0.402	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.8	175.4	-75.4	171.2	127.4	0	0	113.6	H495 K496 A501	H495-E499 IonicContact CE1-OE1 2.7Å; H495-E499 PolarHBondContact CE1-OE1 3.39Å; H495-E499 IonicContact CE1-OE2 3.31Å; H495-E499 IonicContact CG-OE2 3.56Å; H495-E499 IonicContact ND1-OE1 3.22Å; H495-E499 PolarHBondContact ND1-OE1 2.94Å; H495-E499 IonicContact ND1-OE2 3.67Å; H495-E499 PolarHBondContact ND1-OE2 3.32Å; H495-E499 WeakPolarHBondContact O-CB 2.95Å; H495-E499 WeakPolarHBondContact O-CG 3.44Å; H495-E499 PolarHBondContact O-N 3.04Å; K496-E499 PolarHBondContact N-OE2 2.63Å; E499-A501 PolarHBondContact O-N 3.38Å
500	L	51.7	Low	57.5	Low	76 Å²	76	101.9 Å²	101.9	40%	0.398	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.5	161.9	-96.8	91	0	0	0	112	K496 W498 G502 T503 L505 G506	K496-L500 WeakPolarHBondContact O-CD1 3.28Å; W498-L500 PolarHBondContact O-N 3.33Å; L500-G502 PolarHBondContact O-N 3.19Å; L500-G502 VanDerWaalsContact O-N 3.16Å; L500-T503 WeakPolarHBondContact O-CB 3.24Å; L500-T503 PolarHBondContact O-N 3.21Å; L500-T503 PolarHBondContact O-OG1 3.41Å; L500-L505 HydrophobicContact CD2-CD2 4.27Å; L500-G506 WeakPolarHBondContact O-CA 3.32Å
501	A	45.7	Very low	56.2	Low	24 Å²	24	98.7 Å²	98.7	20%	0.198	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	101.6	171.1	0	0	0	0	0	110.5	W498 E499 I511	W498-A501 WeakPolarHBondContact O-CB 3.45Å; W498-A501 PolarHBondContact O-N 2.76Å; E499-A501 PolarHBondContact O-N 3.38Å; A501-I511 HydrophobicContact CB-CB 3.79Å; A501-I511 HydrophobicContact CB-CG2 3.56Å
502	G	50.9	Low	54.8	Low	59 Å²	59	101.3 Å²	101.3	61%	0.608	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.8	-8.8	-167.5	0	0	0	0	0	113.4	L500	L500-G502 PolarHBondContact O-N 3.19Å; L500-G502 VanDerWaalsContact O-N 3.16Å
503	T	62.5	Low	53.3	Low	60 Å²	60	106 Å²	106	37%	0.368	54%	0.541	S	S	.	.	S	Bend	trans	-82	157.6	157.6	70.7	0	0	0	0	109.7	L500 L505 G506 D507	L500-T503 WeakPolarHBondContact O-CB 3.24Å; L500-T503 PolarHBondContact O-N 3.21Å; L500-T503 PolarHBondContact O-OG1 3.41Å; T503-L505 PolarHBondContact O-N 2.82Å; T503-L505 PolarHBondContact OG1-N 3.41Å; T503-G506 WeakPolarHBondContact O-CA 3.41Å; T503-G506 PolarHBondContact O-N 2.88Å; T503-G506 PolarHBondContact OG1-N 2.98Å; T503-D507 PolarHBondContact O-N 2.67Å
504	K	52.3	Low	51.9	Low	182 Å²	182	111.3 Å²	111.3	79%	0.791	55%	0.553	S	S	*	*	H	α-helix	trans	-53.2	-27.6	173.7	-67.2	-177.3	178.6	178.8	0	113.4	I508	K504-I508 WeakPolarHBondContact O-CD1 3.49Å; K504-I508 VanDerWaalsContact O-CG1 3.23Å; K504-I508 WeakPolarHBondContact O-CG1 3.26Å; K504-I508 PolarHBondContact O-N 2.78Å
505	L	47.6	Very low	50.3	Low	101 Å²	101	115.8 Å²	115.8	53%	0.529	57%	0.574	S	S	.	*	H	α-helix	trans	-75.5	-39.7	176.3	-168.4	66.2	0	0	0	111.6	L500 T503 I508 M509	L500-L505 HydrophobicContact CD2-CD2 4.27Å; T503-L505 PolarHBondContact O-N 2.82Å; T503-L505 PolarHBondContact OG1-N 3.41Å; L505-I508 PolarHBondContact O-N 2.86Å; L505-M509 WeakPolarHBondContact O-CG 3.38Å; L505-M509 PolarHBondContact O-N 3.06Å
506	G	57.1	Low	48.9	Very low	3 Å²	3	117.2 Å²	117.2	3%	0.031	59%	0.585	C	S	.	*	H	α-helix	trans	-67.3	-34.3	173.5	0	0	0	0	0	113.7	L500 T503 M509 G510 I511	L500-G506 WeakPolarHBondContact O-CA 3.32Å; T503-G506 WeakPolarHBondContact O-CA 3.41Å; T503-G506 PolarHBondContact O-N 2.88Å; T503-G506 PolarHBondContact OG1-N 2.98Å; G506-M509 CarbonylContact O-C 3.46Å; G506-M509 PolarHBondContact O-N 3.19Å; G506-G510 PolarHBondContact O-N 2.99Å; G506-I511 PolarHBondContact O-N 2.62Å
507	D	61.1	Low	47.5	Very low	106 Å²	106	121.1 Å²	121.1	57%	0.567	61%	0.605	S	S	*	*	H	α-helix	trans	-63.3	-43.9	172.4	-66.2	-32.3	0	0	0	111.3	T503 M509 G510	T503-D507 PolarHBondContact O-N 2.67Å; D507-M509 PolarHBondContact O-N 2.87Å; D507-G510 PolarHBondContact O-N 2.88Å; D507-G510 VanDerWaalsContact O-N 3.09Å
508	I	58.1	Low	46.3	Very low	140 Å²	140	122.6 Å²	122.6	72%	0.718	61%	0.612	S	S	*	*	H	α-helix	trans	-62.4	-32.8	173.9	-71	166.4	0	0	0	111.4	K504 L505 G510	K504-I508 WeakPolarHBondContact O-CD1 3.49Å; K504-I508 VanDerWaalsContact O-CG1 3.23Å; K504-I508 WeakPolarHBondContact O-CG1 3.26Å; K504-I508 PolarHBondContact O-N 2.78Å; L505-I508 PolarHBondContact O-N 2.86Å; I508-G510 VanDerWaalsContact C-N 3.33Å
509	M	47	Very low	45.2	Very low	137 Å²	137	119.4 Å²	119.4	68%	0.675	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	3.7	175.8	-64.5	-176.8	76.6	0	0	114	L505 G506 D507 I511	L505-M509 WeakPolarHBondContact O-CG 3.38Å; L505-M509 PolarHBondContact O-N 3.06Å; G506-M509 CarbonylContact O-C 3.46Å; G506-M509 PolarHBondContact O-N 3.19Å; D507-M509 PolarHBondContact O-N 2.87Å; M509-I511 VanDerWaalsContact C-N 3.34Å; M509-I511 PolarHBondContact O-N 2.91Å
510	G	42.7	Very low	44.1	Very low	56 Å²	56	118 Å²	118	58%	0.577	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.5	13.9	168.1	0	0	0	0	0	116.6	G506 D507 I508 K512	G506-G510 PolarHBondContact O-N 2.99Å; D507-G510 PolarHBondContact O-N 2.88Å; D507-G510 VanDerWaalsContact O-N 3.09Å; I508-G510 VanDerWaalsContact C-N 3.33Å; G510-K512 PolarHBondContact O-N 3.38Å; G510-K512 VanDerWaalsContact O-N 3.15Å
511	I	49.4	Very low	43.1	Very low	101 Å²	101	118.4 Å²	118.4	52%	0.518	65%	0.649	S	S	.	*			trans	-79.9	99.8	-176.6	-52.2	176.7	0	0	0	109.8	A501 G506 M509 K513	A501-I511 HydrophobicContact CB-CB 3.79Å; A501-I511 HydrophobicContact CB-CG2 3.56Å; G506-I511 PolarHBondContact O-N 2.62Å; M509-I511 VanDerWaalsContact C-N 3.34Å; M509-I511 PolarHBondContact O-N 2.91Å; I511-K513 PolarHBondContact O-N 2.84Å
512	K	44.8	Very low	42.4	Very low	196 Å²	196	126.5 Å²	126.5	85%	0.852	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-70.8	127.5	177	-67.5	-170.9	179.5	-174.6	0	111.6	G510	G510-K512 PolarHBondContact O-N 3.38Å; G510-K512 VanDerWaalsContact O-N 3.15Å
513	K	38.9	Very low	41.6	Very low	180 Å²	180	130.8 Å²	130.8	78%	0.783	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-60	140.3	169	-168.2	171.6	-176.2	176.2	0	110.4	I511	I511-K513 PolarHBondContact O-N 2.84Å
514	K	35.4	Very low	40.2	Very low	170 Å²	170	133.7 Å²	133.7	74%	0.739	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-85.3	142.8	163	-84.7	-169.5	171.8	-170	0	110
515	E	30.7	Very low	39.5	Very low	192 Å²	192	127.7 Å²	127.7	90%	0.897	70%	0.701	S	S	*	*			trans	-90.1	106.4	165.8	-64.5	175	154.1	0	0	106.9
516	D	31.8	Very low	39.1	Very low	138 Å²	138	132.8 Å²	132.8	74%	0.738	72%	0.722	S	S	*	*			trans	-95.8	127.6	171.4	-66.8	-37.6	0	0	0	108.3
517	E	29.6	Very low	38.3	Very low	191 Å²	191	140.2 Å²	140.2	89%	0.893	76%	0.761	S	S	*	*			trans	-74.3	133.5	-175.9	-59.3	179.3	129.6	0	0	111.6	P519	E517-P519 VanDerWaalsContact O-CD 3.23Å; E517-P519 WeakPolarHBondContact O-CD 3.33Å
518	E	27.8	Very low	37.6	Very low	171 Å²	171	138.3 Å²	138.3	80%	0.799	77%	0.766	S	S	*	*			trans	-83.2	114.2	174.8	-75.5	-164.3	158	0	0	112.3	G520	E518-G520 VanDerWaalsContact C-N 3.31Å; E518-G520 PolarHBondContact O-N 2.91Å
519	P	31.3	Very low	36.4	Very low	139 Å²	139	140.5 Å²	140.5	90%	0.903	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	72.1	174.2	34.6	-35.7	0	0	0	111.1	E517	E517-P519 VanDerWaalsContact O-CD 3.23Å; E517-P519 WeakPolarHBondContact O-CD 3.33Å
520	G	29.8	Very low	36.1	Very low	57 Å²	57	138.2 Å²	138.2	59%	0.588	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.5	7.6	-171.7	0	0	0	0	0	118.9	E518 K522	E518-G520 VanDerWaalsContact C-N 3.31Å; E518-G520 PolarHBondContact O-N 2.91Å; G520-K522 PolarHBondContact O-N 2.69Å; G520-K522 VanDerWaalsContact O-N 3.16Å
521	G	30.6	Very low	35.5	Very low	83 Å²	83	141.9 Å²	141.9	86%	0.856	77%	0.771	S	S	*	*			trans	-58.4	114.3	-173.9	0	0	0	0	0	114.5
522	K	31.6	Very low	35.2	Very low	194 Å²	194	143.9 Å²	143.9	84%	0.843	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-85.9	136.7	166.4	-73.2	-177.5	178.5	177.1	0	110.1	G520 V524	G520-K522 PolarHBondContact O-N 2.69Å; G520-K522 VanDerWaalsContact O-N 3.16Å; K522-V524 PolarHBondContact O-N 2.71Å
523	V	32.7	Very low	34.8	Very low	150 Å²	150	145 Å²	145	91%	0.909	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-62.2	126.9	178.8	-174.4	0	0	0	0	110.4
524	V	34.7	Very low	34.7	Very low	120 Å²	120	139.7 Å²	139.7	73%	0.727	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-98.6	133.6	174.3	-179.1	0	0	0	0	108.6	K522	K522-V524 PolarHBondContact O-N 2.71Å
525	G	37.3	Very low	34.7	Very low	56 Å²	56	137 Å²	137	58%	0.577	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-80.1	152.6	174.9	0	0	0	0	0	112.6	D527 G528	G525-D527 VanDerWaalsContact C-N 3.27Å; G525-D527 PolarHBondContact O-N 2.84Å; G525-D527 VanDerWaalsContact O-N 3.16Å; G525-G528 PolarHBondContact O-N 2.73Å
526	E	38.3	Very low	35.2	Very low	209 Å²	209	132.3 Å²	132.3	98%	0.977	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-25	-166	-154.2	167.3	169	0	0	114.8	G528	E526-G528 PolarHBondContact O-N 3.38Å
527	D	40.5	Very low	35.4	Very low	159 Å²	159	130.7 Å²	130.7	85%	0.85	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-0.1	-177.3	-83	-50.8	0	0	0	115.8	G525 K529	G525-D527 VanDerWaalsContact C-N 3.27Å; G525-D527 PolarHBondContact O-N 2.84Å; G525-D527 VanDerWaalsContact O-N 3.16Å; D527-K529 PolarHBondContact O-N 2.75Å
528	G	45.6	Very low	35.8	Very low	65 Å²	65	128.5 Å²	128.5	67%	0.67	71%	0.707	S	S	*	*			trans	65.2	-8.5	171.1	0	0	0	0	0	117.6	G525 E526	G525-G528 PolarHBondContact O-N 2.73Å; E526-G528 PolarHBondContact O-N 3.38Å
529	K	33.3	Very low	36.3	Very low	187 Å²	187	123.7 Å²	123.7	81%	0.813	70%	0.696	S	S	*	*			trans	-95.6	110.5	173.9	-77.4	175.9	179	166.2	0	110.8	D527	D527-K529 PolarHBondContact O-N 2.75Å
530	V	40.3	Very low	36.6	Very low	88 Å²	88	121.3 Å²	121.3	53%	0.533	67%	0.673	S	S	.	*			trans	-83.1	118.9	167.4	-175.4	0	0	0	0	108.5	Y532	V530-Y532 VanDerWaalsContact C-N 3.27Å; V530-Y532 HydrophobicContact CB-CD2 4.27Å; V530-Y532 HydrophobicContact CB-CE1 4.1Å; V530-Y532 HydrophobicContact CB-CE2 3.71Å; V530-Y532 HydrophobicContact CG1-CD1 3.96Å; V530-Y532 HydrophobicContact CG1-CD2 4.44Å; V530-Y532 HydrophobicContact CG1-CE1 3.52Å; V530-Y532 HydrophobicContact CG1-CE2 4.06Å; V530-Y532 HydrophobicContact CG1-CG 4.39Å; V530-Y532 WeakPolarHBondContact O-CD2 3.38Å; V530-Y532 PolarHBondContact O-N 3.22Å
531	D	31.1	Very low	37.2	Very low	134 Å²	134	121.9 Å²	121.9	72%	0.717	66%	0.661	S	S	*	*			trans	-82.5	66.4	-170.5	-124.5	-27.4	0	0	0	112.8	R533 A534	D531-R533 PolarHBondContact O-N 3.22Å; D531-A534 PolarHBondContact O-N 3.45Å
532	Y	43	Very low	37.7	Very low	143 Å²	143	121.5 Å²	121.5	56%	0.561	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	1.1	-178.9	-60.2	-67.4	0	0	0	115.6	V530	V530-Y532 VanDerWaalsContact C-N 3.27Å; V530-Y532 HydrophobicContact CB-CD2 4.27Å; V530-Y532 HydrophobicContact CB-CE1 4.1Å; V530-Y532 HydrophobicContact CB-CE2 3.71Å; V530-Y532 HydrophobicContact CG1-CD1 3.96Å; V530-Y532 HydrophobicContact CG1-CD2 4.44Å; V530-Y532 HydrophobicContact CG1-CE1 3.52Å; V530-Y532 HydrophobicContact CG1-CE2 4.06Å; V530-Y532 HydrophobicContact CG1-CG 4.39Å; V530-Y532 WeakPolarHBondContact O-CD2 3.38Å; V530-Y532 PolarHBondContact O-N 3.22Å
533	R	37.3	Very low	38.1	Very low	219 Å²	219	119.9 Å²	119.9	83%	0.826	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-20.7	-177.8	-158.9	170.4	-173.1	168.5	1.3	113.4	D531	D531-R533 PolarHBondContact O-N 3.22Å
534	A	35.5	Very low	38.3	Very low	69 Å²	69	120 Å²	120	57%	0.57	62%	0.621	S	S	*	*	S	Bend	trans	-72.3	-52	174.9	0	0	0	0	0	112	D531 Q536 K537	D531-A534 PolarHBondContact O-N 3.45Å; A534-Q536 PolarHBondContact O-N 2.9Å; A534-Q536 VanDerWaalsContact O-N 3.09Å; A534-K537 PolarHBondContact O-N 2.63Å
535	D	36	Very low	38.6	Very low	113 Å²	113	119 Å²	119	60%	0.604	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-22.8	-173.7	-79.4	-17.6	0	0	0	114.9	K537	D535-K537 VanDerWaalsContact C-N 3.33Å; D535-K537 PolarHBondContact O-N 3.38Å
536	Q	40.8	Very low	38.5	Very low	94 Å²	94	120.3 Å²	120.3	44%	0.439	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-8.5	-173.7	-69.3	-154.3	22.7	0	0	115.2	A534 F538 S1062	A534-Q536 PolarHBondContact O-N 2.9Å; A534-Q536 VanDerWaalsContact O-N 3.09Å; Q536-F538 PolarHBondContact O-N 3.03Å; Q536-S1062 PolarHBondContact NE2-OG 2.97Å
537	K	36.1	Very low	38.4	Very low	103 Å²	103	117 Å²	117	45%	0.448	59%	0.592	S	S	.	*			trans	-91.4	93.7	175.4	-73.3	175.6	-179.7	174.9	0	111.2	A534 D535 A539 E540 H541	A534-K537 PolarHBondContact O-N 2.63Å; D535-K537 VanDerWaalsContact C-N 3.33Å; D535-K537 PolarHBondContact O-N 3.38Å; K537-A539 PolarHBondContact O-N 3.39Å; K537-E540 HydrophobicContact CB-CB 4.06Å; K537-E540 HydrophobicContact CD-CB 4.44Å; K537-E540 HydrophobicContact CD-CG 4.2Å; K537-E540 WeakPolarHBondContact CD-OE1 3.21Å; K537-E540 WeakPolarHBondContact CD-OE2 3.22Å; K537-E540 WeakPolarHBondContact CE-OE1 3.17Å; K537-E540 IonicContact NZ-OE1 2.68Å; K537-E540 PolarHBondContact NZ-OE1 3.4Å; K537-E540 IonicContact NZ-OE2 3.79Å; K537-E540 PolarHBondContact NZ-OE2 3.1Å; K537-E540 PolarHBondContact O-N 2.89Å; K537-H541 PolarHBondContact O-N 3.47Å; K537-H541 VanDerWaalsContact O-N 3.13Å
538	F	38.8	Very low	38.2	Very low	145 Å²	145	111.8 Å²	111.8	64%	0.636	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.5	-30.8	172.8	-173.5	-107.5	0	0	0	113.6	Q536 M542	Q536-F538 PolarHBondContact O-N 3.03Å; F538-M542 HydrophobicContact CE1-CE 4.24Å; F538-M542 HydrophobicContact CE2-CE 4.49Å; F538-M542 HydrophobicContact CZ-CE 3.87Å; F538-M542 VanDerWaalsContact O-CB 3.32Å; F538-M542 WeakPolarHBondContact O-CB 3.41Å; F538-M542 WeakPolarHBondContact O-CG 3.45Å; F538-M542 PolarHBondContact O-N 3.31Å
539	A	37.7	Very low	37.9	Very low	70 Å²	70	111 Å²	111	58%	0.579	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-37.8	176.4	0	0	0	0	0	114.3	K537 K543	K537-A539 PolarHBondContact O-N 3.39Å; A539-K543 PolarHBondContact O-N 3.15Å
540	E	38.3	Very low	38.6	Very low	89 Å²	89	103.5 Å²	103.5	42%	0.416	53%	0.526	S	S	.	.	H	α-helix	trans	-78	-42.9	-179.4	-85.3	164.4	-152	0	0	110.9	K537 M542 K543 E544	K537-E540 HydrophobicContact CB-CB 4.06Å; K537-E540 HydrophobicContact CD-CB 4.44Å; K537-E540 HydrophobicContact CD-CG 4.2Å; K537-E540 WeakPolarHBondContact CD-OE1 3.21Å; K537-E540 WeakPolarHBondContact CD-OE2 3.22Å; K537-E540 WeakPolarHBondContact CE-OE1 3.17Å; K537-E540 IonicContact NZ-OE1 2.68Å; K537-E540 PolarHBondContact NZ-OE1 3.4Å; K537-E540 IonicContact NZ-OE2 3.79Å; K537-E540 PolarHBondContact NZ-OE2 3.1Å; K537-E540 PolarHBondContact O-N 2.89Å; E540-M542 PolarHBondContact O-N 3.26Å; E540-M542 VanDerWaalsContact O-N 3.07Å; E540-K543 WeakPolarHBondContact O-CB 3.35Å; E540-K543 PolarHBondContact O-N 3.35Å; E540-E544 PolarHBondContact O-N 2.89Å
541	H	42.2	Very low	38.7	Very low	69 Å²	69	103.4 Å²	103.4	32%	0.319	52%	0.522	S	S	.	.	H	α-helix	trans	-67.4	-11.8	175.5	-144.1	26.6	0	0	0	113.3	K537 K545	K537-H541 PolarHBondContact O-N 3.47Å; K537-H541 VanDerWaalsContact O-N 3.13Å; H541-K545 PolarHBondContact CD2-NZ 3.26Å; H541-K545 VanDerWaalsContact CE1-CE 3.42Å; H541-K545 WeakPolarHBondContact CE1-CE 3.41Å; H541-K545 PolarHBondContact CE1-NZ 2.87Å; H541-K545 PolarHBondContact NE2-NZ 3.25Å; H541-K545 WeakPolarHBondContact O-CB 3.23Å; H541-K545 VanDerWaalsContact O-CD 3.31Å; H541-K545 WeakPolarHBondContact O-CD 3.41Å; H541-K545 VanDerWaalsContact O-CG 3.24Å; H541-K545 WeakPolarHBondContact O-CG 3.09Å
542	M	41.2	Very low	39.3	Very low	75 Å²	75	101 Å²	101	37%	0.369	51%	0.506	S	S	.	.	H	α-helix	trans	-85.7	-27.6	168	-90.9	-86.6	-169.5	0	0	113.8	F538 E540 K628	F538-M542 HydrophobicContact CE1-CE 4.24Å; F538-M542 HydrophobicContact CE2-CE 4.49Å; F538-M542 HydrophobicContact CZ-CE 3.87Å; F538-M542 VanDerWaalsContact O-CB 3.32Å; F538-M542 WeakPolarHBondContact O-CB 3.41Å; F538-M542 WeakPolarHBondContact O-CG 3.45Å; F538-M542 PolarHBondContact O-N 3.31Å; E540-M542 PolarHBondContact O-N 3.26Å; E540-M542 VanDerWaalsContact O-N 3.07Å; M542-K628 PolarHBondContact SD-NZ 2.79Å
543	K	40.2	Very low	39.5	Very low	161 Å²	161	95.3 Å²	95.3	70%	0.7	49%	0.488	S	S	*	.	H	α-helix	trans	-67.6	-47	178.7	-76.5	-179.2	176.2	-175.1	0	110.6	A539 E540 S546	A539-K543 PolarHBondContact O-N 3.15Å; E540-K543 WeakPolarHBondContact O-CB 3.35Å; E540-K543 PolarHBondContact O-N 3.35Å; K543-S546 PolarHBondContact O-OG 2.6Å
544	E	36.2	Very low	40	Very low	152 Å²	152	89 Å²	89	71%	0.71	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-71.3	-29.4	178.6	-62.1	179.2	149.2	0	0	113.3	E540 S546	E540-E544 PolarHBondContact O-N 2.89Å; E544-S546 VanDerWaalsContact C-N 3.34Å; E544-S546 PolarHBondContact O-N 3.24Å
545	K	40.6	Very low	40.5	Very low	100 Å²	100	94.1 Å²	94.1	44%	0.435	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-88.8	11.5	-177.3	-67.7	-179.3	-173.8	166.8	0	114.9	H541 E547	H541-K545 PolarHBondContact CD2-NZ 3.26Å; H541-K545 VanDerWaalsContact CE1-CE 3.42Å; H541-K545 WeakPolarHBondContact CE1-CE 3.41Å; H541-K545 PolarHBondContact CE1-NZ 2.87Å; H541-K545 PolarHBondContact NE2-NZ 3.25Å; H541-K545 WeakPolarHBondContact O-CB 3.23Å; H541-K545 VanDerWaalsContact O-CD 3.31Å; H541-K545 WeakPolarHBondContact O-CD 3.41Å; H541-K545 VanDerWaalsContact O-CG 3.24Å; H541-K545 WeakPolarHBondContact O-CG 3.09Å; K545-E547 PolarHBondContact O-N 3.31Å; K545-E547 VanDerWaalsContact O-N 3.16Å
546	S	35.7	Very low	41.5	Very low	82 Å²	82	92.5 Å²	92.5	57%	0.573	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-67.4	-8.4	176.9	56.8	0	0	0	0	114.3	K543 E544 A548 S549	K543-S546 PolarHBondContact O-OG 2.6Å; E544-S546 VanDerWaalsContact C-N 3.34Å; E544-S546 PolarHBondContact O-N 3.24Å; S546-A548 PolarHBondContact O-N 3.22Å; S546-A548 VanDerWaalsContact O-N 3.08Å; S546-S549 PolarHBondContact O-N 3.38Å; S546-S549 PolarHBondContact O-OG 3.21Å
547	E	36.1	Very low	42.9	Very low	141 Å²	141	90.6 Å²	90.6	66%	0.659	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-57.4	-13.6	172.1	-82.1	-104.1	91.7	0	0	115.6	K545 S549 K554	K545-E547 PolarHBondContact O-N 3.31Å; K545-E547 VanDerWaalsContact O-N 3.16Å; E547-S549 PolarHBondContact O-N 3.05Å; E547-K554 WeakPolarHBondContact O-CE 3.42Å; E547-K554 PolarHBondContact O-NZ 3.09Å; E547-K554 IonicContact OE1-NZ 3.88Å; E547-K554 PolarHBondContact OE1-NZ 2.75Å
548	A	37.1	Very low	44.5	Very low	49 Å²	49	88.5 Å²	88.5	41%	0.405	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-73.2	3	177.6	0	0	0	0	0	114.7	S546	S546-A548 PolarHBondContact O-N 3.22Å; S546-A548 VanDerWaalsContact O-N 3.08Å
549	S	39.7	Very low	46.1	Very low	49 Å²	49	86.4 Å²	86.4	34%	0.343	45%	0.449	S	S	.	.	S	Bend	trans	-58.2	134.4	167.4	34.9	0	0	0	0	111.4	S546 E547 K554	S546-S549 PolarHBondContact O-N 3.38Å; S546-S549 PolarHBondContact O-OG 3.21Å; E547-S549 PolarHBondContact O-N 3.05Å; S549-K554 WeakPolarHBondContact O-CE 3.35Å; S549-K554 WeakPolarHBondContact OG-CE 3.3Å
550	S	47.3	Very low	48	Very low	29 Å²	29	86.5 Å²	86.5	20%	0.203	44%	0.437	C	S	.	.			trans	-65	157.3	178.4	65.7	0	0	0	0	111.9	F552 A553 K554	S550-F552 PolarHBondContact O-N 2.93Å; S550-A553 CarbonylContact O-C 3.49Å; S550-A553 WeakPolarHBondContact O-CA 3.03Å; S550-A553 PolarHBondContact O-N 3.12Å; S550-A553 PolarHBondContact OG-N 3.3Å; S550-K554 PolarHBondContact O-N 3.4Å
551	D	42.9	Very low	49.6	Very low	86 Å²	86	83.7 Å²	83.7	46%	0.46	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.2	176.6	-54	-87.3	0	0	0	113.3	K555	D551-K555 WeakPolarHBondContact O-CD 3.48Å; D551-K555 VanDerWaalsContact O-CG 3.26Å; D551-K555 WeakPolarHBondContact O-CG 3.31Å
552	F	42.4	Very low	51.2	Low	84 Å²	84	82 Å²	82	37%	0.368	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-48.1	164.7	-177.5	-91.3	0	0	0	111.5	S550 K555 K556 Y564	S550-F552 PolarHBondContact O-N 2.93Å; F552-K555 PolarHBondContact O-N 3.49Å; F552-K556 HydrophobicContact CE1-CD 4.25Å; F552-K556 HydrophobicContact CE2-CD 4.08Å; F552-K556 HydrophobicContact CZ-CD 3.76Å; F552-Y564 AromaticContact CE1-CD1 3.61Å; F552-Y564 HydrophobicContact CE1-CD1 3.61Å; F552-Y564 AromaticContact CE1-CE1 3.94Å; F552-Y564 HydrophobicContact CE1-CE1 3.94Å; F552-Y564 HydrophobicContact CE1-CG 4.37Å; F552-Y564 HydrophobicContact CE2-CD1 4.03Å; F552-Y564 AromaticContact CE2-CE1 3.6Å; F552-Y564 HydrophobicContact CE2-CE1 3.6Å; F552-Y564 AromaticContact CE2-CZ 3.99Å; F552-Y564 AromaticContact CZ-CD1 3.16Å; F552-Y564 HydrophobicContact CZ-CD1 3.16Å; F552-Y564 HydrophobicContact CZ-CD2 4.37Å; F552-Y564 AromaticContact CZ-CE1 3.24Å; F552-Y564 HydrophobicContact CZ-CE1 3.24Å; F552-Y564 HydrophobicContact CZ-CE2 4.46Å; F552-Y564 AromaticContact CZ-CG 3.76Å; F552-Y564 HydrophobicContact CZ-CG 3.76Å; F552-Y564 AromaticContact CZ-CZ 3.92Å
553	A	48.4	Very low	53.1	Low	22 Å²	22	83.7 Å²	83.7	18%	0.182	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.1	177.1	0	0	0	0	0	113.5	S550 K555 Q561	S550-A553 CarbonylContact O-C 3.49Å; S550-A553 WeakPolarHBondContact O-CA 3.03Å; S550-A553 PolarHBondContact O-N 3.12Å; S550-A553 PolarHBondContact OG-N 3.3Å; A553-K555 VanDerWaalsContact C-N 3.3Å; A553-K555 PolarHBondContact O-N 3.02Å; A553-Q561 PolarHBondContact O-NE2 3.47Å
554	K	47.4	Very low	55.1	Low	86 Å²	86	81.3 Å²	81.3	37%	0.374	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.7	174.2	-67.7	-169.9	177.6	-173.4	0	114.1	E547 S549 S550	E547-K554 WeakPolarHBondContact O-CE 3.42Å; E547-K554 PolarHBondContact O-NZ 3.09Å; E547-K554 IonicContact OE1-NZ 3.88Å; E547-K554 PolarHBondContact OE1-NZ 2.75Å; S549-K554 WeakPolarHBondContact O-CE 3.35Å; S549-K554 WeakPolarHBondContact OG-CE 3.3Å; S550-K554 PolarHBondContact O-N 3.4Å
555	K	46.7	Very low	57.2	Low	177 Å²	177	76.1 Å²	76.1	77%	0.77	39%	0.386	S	S	*	.	S	Bend	trans	-109.6	-4.8	-178.7	-74.6	-178.6	-178.7	-178.6	0	114.8	D551 F552 A553	D551-K555 WeakPolarHBondContact O-CD 3.48Å; D551-K555 VanDerWaalsContact O-CG 3.26Å; D551-K555 WeakPolarHBondContact O-CG 3.31Å; F552-K555 PolarHBondContact O-N 3.49Å; A553-K555 VanDerWaalsContact C-N 3.3Å; A553-K555 PolarHBondContact O-N 3.02Å
556	K	55.8	Low	59.2	Low	79 Å²	79	72.3 Å²	72.3	34%	0.343	37%	0.372	S	S	.	.	S	Bend	trans	-137.1	141.7	-172.6	-71.2	-161.2	164.1	-140.7	0	111.8	F552 E560 Q561	F552-K556 HydrophobicContact CE1-CD 4.25Å; F552-K556 HydrophobicContact CE2-CD 4.08Å; F552-K556 HydrophobicContact CZ-CD 3.76Å; K556-E560 HydrophobicContact CB-CB 4.07Å; K556-E560 HydrophobicContact CD-CB 4.2Å; K556-E560 WeakPolarHBondContact CD-OE2 3.21Å; K556-E560 WeakPolarHBondContact CG-OE2 3.45Å; K556-E560 IonicContact NZ-OE2 3.19Å; K556-Q561 HydrophobicContact CB-CG 4.38Å; K556-Q561 PolarHBondContact O-NE2 3.41Å
557	S	69.7	Low	61.6	Low	55 Å²	55	68.5 Å²	68.5	39%	0.385	35%	0.345	S	S	.	.			trans	-59.5	156.7	175.3	65.3	0	0	0	0	112	L559 E560 Q561	S557-L559 PolarHBondContact O-N 2.65Å; S557-L559 VanDerWaalsContact O-N 3.17Å; S557-E560 VanDerWaalsContact CB-OE1 3.3Å; S557-E560 WeakPolarHBondContact CB-OE1 3.44Å; S557-E560 PolarHBondContact N-OE1 2.76Å; S557-E560 PolarHBondContact O-N 3.15Å; S557-E560 VanDerWaalsContact O-N 3.12Å; S557-E560 VanDerWaalsContact OG-CG 3.31Å; S557-E560 WeakPolarHBondContact OG-CG 3.36Å; S557-E560 PolarHBondContact OG-N 2.76Å; S557-E560 PolarHBondContact OG-OE1 3.31Å; S557-Q561 WeakPolarHBondContact O-CG 3.39Å; S557-Q561 PolarHBondContact O-N 2.86Å
558	I	70.6	Confident	64	Low	58 Å²	58	65.6 Å²	65.6	30%	0.297	33%	0.33	S	S	.	.	H	α-helix	trans	-58.4	-31	179	-157	71.3	0	0	0	111.8	Q561 R562 E633	I558-Q561 WeakPolarHBondContact O-CB 3.41Å; I558-Q561 PolarHBondContact O-N 2.96Å; I558-R562 WeakPolarHBondContact O-CG 3.26Å; I558-R562 PolarHBondContact O-N 2.97Å; I558-E633 HydrophobicContact CD1-CG 4.18Å; I558-E633 HydrophobicContact CG1-CG 3.98Å
559	L	71.6	Confident	66.4	Low	102 Å²	102	67.5 Å²	67.5	53%	0.534	35%	0.346	S	S	.	.	H	α-helix	trans	-70.3	-44.5	176.2	-64.3	173	0	0	0	112.2	S557 Q561 R562 Q563	S557-L559 PolarHBondContact O-N 2.65Å; S557-L559 VanDerWaalsContact O-N 3.17Å; L559-Q561 VanDerWaalsContact C-N 3.26Å; L559-Q561 PolarHBondContact O-N 2.97Å; L559-R562 PolarHBondContact O-N 3.43Å; L559-Q563 WeakPolarHBondContact O-CG 3.42Å; L559-Q563 PolarHBondContact O-N 3.25Å
560	E	77.5	Confident	68.7	Low	72 Å²	72	66 Å²	66	34%	0.336	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-33	173	-72.5	163.8	-102	0	0	112.5	K556 S557 Y564	K556-E560 HydrophobicContact CB-CB 4.07Å; K556-E560 HydrophobicContact CD-CB 4.2Å; K556-E560 WeakPolarHBondContact CD-OE2 3.21Å; K556-E560 WeakPolarHBondContact CG-OE2 3.45Å; K556-E560 IonicContact NZ-OE2 3.19Å; S557-E560 VanDerWaalsContact CB-OE1 3.3Å; S557-E560 WeakPolarHBondContact CB-OE1 3.44Å; S557-E560 PolarHBondContact N-OE1 2.76Å; S557-E560 PolarHBondContact O-N 3.15Å; S557-E560 VanDerWaalsContact O-N 3.12Å; S557-E560 VanDerWaalsContact OG-CG 3.31Å; S557-E560 WeakPolarHBondContact OG-CG 3.36Å; S557-E560 PolarHBondContact OG-N 2.76Å; S557-E560 PolarHBondContact OG-OE1 3.31Å; E560-Y564 WeakPolarHBondContact O-CB 3.47Å; E560-Y564 PolarHBondContact O-N 2.95Å
561	Q	73.1	Confident	70.7	Confident	30 Å²	30	67.5 Å²	67.5	14%	0.14	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-45.9	173.2	-65.9	171.4	38.6	0	0	110.6	A553 K556 S557 I558 L559 Q563 Y564	A553-Q561 PolarHBondContact O-NE2 3.47Å; K556-Q561 HydrophobicContact CB-CG 4.38Å; K556-Q561 PolarHBondContact O-NE2 3.41Å; S557-Q561 WeakPolarHBondContact O-CG 3.39Å; S557-Q561 PolarHBondContact O-N 2.86Å; I558-Q561 WeakPolarHBondContact O-CB 3.41Å; I558-Q561 PolarHBondContact O-N 2.96Å; L559-Q561 VanDerWaalsContact C-N 3.26Å; L559-Q561 PolarHBondContact O-N 2.97Å; Q561-Q563 PolarHBondContact O-N 2.82Å; Q561-Y564 PolarHBondContact O-N 2.76Å
562	R	75.5	Confident	73	Confident	32 Å²	32	70.9 Å²	70.9	12%	0.121	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-42.2	174.8	-71.4	178.8	66	-164	-5.8	112.2	I558 L559 Y564 L565 E604	I558-R562 WeakPolarHBondContact O-CG 3.26Å; I558-R562 PolarHBondContact O-N 2.97Å; L559-R562 PolarHBondContact O-N 3.43Å; R562-Y564 PolarHBondContact O-N 2.94Å; R562-L565 PolarHBondContact O-N 3.29Å; R562-E604 IonicContact CZ-OE1 2.78Å; R562-E604 IonicContact NH1-OE1 3.99Å; R562-E604 IonicContact NH2-OE1 3.47Å; R562-E604 PolarHBondContact NH2-OE1 3.06Å
563	Q	81.6	Confident	75.2	Confident	112 Å²	112	72.8 Å²	72.8	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-65.9	-22.4	177.8	-71.2	176.2	5	0	0	114.1	L559 Q561 L565 F568	L559-Q563 WeakPolarHBondContact O-CG 3.42Å; L559-Q563 PolarHBondContact O-N 3.25Å; Q561-Q563 PolarHBondContact O-N 2.82Å; Q563-L565 VanDerWaalsContact C-N 3.34Å; Q563-F568 HydrophobicContact CB-CD1 4.25Å; Q563-F568 HydrophobicContact CB-CE1 4.27Å; Q563-F568 HydrophobicContact CG-CD1 4.34Å; Q563-F568 HydrophobicContact CG-CD2 4.46Å; Q563-F568 HydrophobicContact CG-CE1 3.95Å; Q563-F568 HydrophobicContact CG-CE2 4.08Å; Q563-F568 HydrophobicContact CG-CZ 3.81Å
564	Y	80.9	Confident	77.2	Confident	111 Å²	111	71.8 Å²	71.8	44%	0.435	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.1	-179	-165.5	-122	0	0	0	114	F552 E560 Q561 R562 R740	F552-Y564 AromaticContact CE1-CD1 3.61Å; F552-Y564 HydrophobicContact CE1-CD1 3.61Å; F552-Y564 AromaticContact CE1-CE1 3.94Å; F552-Y564 HydrophobicContact CE1-CE1 3.94Å; F552-Y564 HydrophobicContact CE1-CG 4.37Å; F552-Y564 HydrophobicContact CE2-CD1 4.03Å; F552-Y564 AromaticContact CE2-CE1 3.6Å; F552-Y564 HydrophobicContact CE2-CE1 3.6Å; F552-Y564 AromaticContact CE2-CZ 3.99Å; F552-Y564 AromaticContact CZ-CD1 3.16Å; F552-Y564 HydrophobicContact CZ-CD1 3.16Å; F552-Y564 HydrophobicContact CZ-CD2 4.37Å; F552-Y564 AromaticContact CZ-CE1 3.24Å; F552-Y564 HydrophobicContact CZ-CE1 3.24Å; F552-Y564 HydrophobicContact CZ-CE2 4.46Å; F552-Y564 AromaticContact CZ-CG 3.76Å; F552-Y564 HydrophobicContact CZ-CG 3.76Å; F552-Y564 AromaticContact CZ-CZ 3.92Å; E560-Y564 WeakPolarHBondContact O-CB 3.47Å; E560-Y564 PolarHBondContact O-N 2.95Å; Q561-Y564 PolarHBondContact O-N 2.76Å; R562-Y564 PolarHBondContact O-N 2.94Å; Y564-R740 VanDerWaalsContact CD1-NH1 3.29Å; Y564-R740 VanDerWaalsContact CE1-NH2 3.29Å; Y564-R740 VanDerWaalsContact CZ-NH1 3.28Å; Y564-R740 VanDerWaalsContact CZ-NH2 3.27Å; Y564-R740 PolarHBondContact O-NH1 2.88Å; Y564-R740 PolarHBondContact OH-NH2 2.7Å
565	L	81.6	Confident	79.3	Confident	43 Å²	43	68.2 Å²	68.2	23%	0.225	34%	0.336	C	S	.	.	S	Bend	trans	-80.6	136	176.5	-63.7	173	0	0	0	110.8	R562 Q563 I567 F568 Q597	R562-L565 PolarHBondContact O-N 3.29Å; Q563-L565 VanDerWaalsContact C-N 3.34Å; L565-I567 HydrophobicContact CB-CG2 4.21Å; L565-I567 PolarHBondContact O-N 3.31Å; L565-I567 VanDerWaalsContact O-N 3.1Å; L565-F568 WeakPolarHBondContact O-CB 3.49Å; L565-F568 PolarHBondContact O-N 2.9Å; L565-Q597 HydrophobicContact CD1-CG 3.61Å
566	P	81.9	Confident	81.5	Confident	20 Å²	20	63.8 Å²	63.8	13%	0.13	32%	0.32	C	S	.	.	H	α-helix	trans	-51.2	-36	-179.8	-29.8	35	0	0	0	114.9	F568 A569 S592 I737 R740	P566-F568 PolarHBondContact O-N 2.86Å; P566-A569 PolarHBondContact O-N 3.28Å; P566-S592 WeakPolarHBondContact CD-O 3.46Å; P566-I737 HydrophobicContact CB-CG2 4.33Å; P566-R740 HydrophobicContact CG-CB 3.76Å; P566-R740 HydrophobicContact CG-CG 4.27Å
567	I	86.2	Confident	83.2	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-25.9	178.5	-163.2	169.6	0	0	0	113.9	L565 A569 V570 R571 L574 S592 Q597 Y601 I737	L565-I567 HydrophobicContact CB-CG2 4.21Å; L565-I567 PolarHBondContact O-N 3.31Å; L565-I567 VanDerWaalsContact O-N 3.1Å; I567-A569 PolarHBondContact O-N 3.5Å; I567-V570 WeakPolarHBondContact O-CG2 3.32Å; I567-V570 PolarHBondContact O-N 2.94Å; I567-R571 PolarHBondContact O-N 2.77Å; I567-R571 VanDerWaalsContact O-N 3.13Å; I567-L574 HydrophobicContact CD1-CD2 4.05Å; I567-L574 HydrophobicContact CG1-CD2 4.12Å; I567-S592 WeakPolarHBondContact CB-O 3.34Å; I567-S592 WeakPolarHBondContact CG2-O 3.42Å; I567-S592 PolarHBondContact N-O 3.21Å; I567-S592 VanDerWaalsContact N-O 3.11Å; I567-Q597 HydrophobicContact CG2-CB 3.76Å; I567-Q597 HydrophobicContact CG2-CG 3.76Å; I567-Y601 HydrophobicContact CG1-CE2 4.26Å; I567-Y601 HydrophobicContact CG2-CE2 4.39Å; I567-I737 HydrophobicContact CB-CD1 4.46Å; I567-I737 HydrophobicContact CB-CG2 4.46Å; I567-I737 HydrophobicContact CD1-CD1 3.78Å; I567-I737 HydrophobicContact CG1-CD1 3.91Å
568	F	86.6	Confident	84.2	Confident	80 Å²	80	59.5 Å²	59.5	35%	0.351	30%	0.296	S	S	.	.	H	α-helix	trans	-66.2	-39.6	179.7	-176.5	-97.1	0	0	0	111.8	Q563 L565 P566 V570 R571	Q563-F568 HydrophobicContact CB-CD1 4.25Å; Q563-F568 HydrophobicContact CB-CE1 4.27Å; Q563-F568 HydrophobicContact CG-CD1 4.34Å; Q563-F568 HydrophobicContact CG-CD2 4.46Å; Q563-F568 HydrophobicContact CG-CE1 3.95Å; Q563-F568 HydrophobicContact CG-CE2 4.08Å; Q563-F568 HydrophobicContact CG-CZ 3.81Å; L565-F568 WeakPolarHBondContact O-CB 3.49Å; L565-F568 PolarHBondContact O-N 2.9Å; P566-F568 PolarHBondContact O-N 2.86Å; F568-V570 PolarHBondContact O-N 3.22Å; F568-R571 WeakPolarHBondContact O-CB 3.35Å; F568-R571 PolarHBondContact O-N 3.03Å
569	A	87	Confident	85	Confident	90 Å²	90	62.5 Å²	62.5	74%	0.744	30%	0.304	S	S	*	.	H	α-helix	trans	-63.9	-26.1	179.2	0	0	0	0	0	113.2	P566 I567	P566-A569 PolarHBondContact O-N 3.28Å; I567-A569 PolarHBondContact O-N 3.5Å
570	V	88.8	Confident	85.9	Confident	16 Å²	16	63.9 Å²	63.9	10%	0.097	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	3.9	-179	-65.1	0	0	0	0	113.9	I567 F568 Q572 Q573 L574 F735 I737 P738	I567-V570 WeakPolarHBondContact O-CG2 3.32Å; I567-V570 PolarHBondContact O-N 2.94Å; F568-V570 PolarHBondContact O-N 3.22Å; V570-Q572 VanDerWaalsContact C-N 3.34Å; V570-Q572 PolarHBondContact O-N 2.83Å; V570-Q573 PolarHBondContact O-N 3.38Å; V570-Q573 VanDerWaalsContact O-N 3.16Å; V570-L574 PolarHBondContact O-N 2.81Å; V570-L574 VanDerWaalsContact O-N 3.09Å; V570-F735 HydrophobicContact CB-CE1 4.21Å; V570-F735 HydrophobicContact CB-CZ 3.98Å; V570-F735 HydrophobicContact CG2-CE1 4.05Å; V570-F735 HydrophobicContact CG2-CZ 4.34Å; V570-I737 HydrophobicContact CG2-CG1 4.32Å; V570-I737 HydrophobicContact CG2-CG2 4.27Å; V570-P738 HydrophobicContact CG1-CG 4.24Å
571	R	89	Confident	86.5	Confident	61 Å²	61	63.1 Å²	63.1	23%	0.23	31%	0.31	C	S	.	.	H	α-helix	trans	-48.9	-47.4	-174.2	172.6	-177.6	167.8	162.2	6.3	114	I567 F568 L574 L575 Y601 E604	I567-R571 PolarHBondContact O-N 2.77Å; I567-R571 VanDerWaalsContact O-N 3.13Å; F568-R571 WeakPolarHBondContact O-CB 3.35Å; F568-R571 PolarHBondContact O-N 3.03Å; R571-L574 PolarHBondContact O-N 2.71Å; R571-L575 HydrophobicContact CG-CD1 4Å; R571-L575 WeakPolarHBondContact O-CG 3.39Å; R571-L575 PolarHBondContact O-N 2.97Å; R571-Y601 HydrophobicContact CB-CD2 4.3Å; R571-Y601 HydrophobicContact CB-CE2 3.92Å; R571-Y601 HydrophobicContact CG-CD1 4.45Å; R571-Y601 HydrophobicContact CG-CD2 3.77Å; R571-Y601 HydrophobicContact CG-CE2 3.81Å; R571-Y601 HydrophobicContact CG-CG 4.12Å; R571-E604 IonicContact CZ-OE2 3.73Å; R571-E604 IonicContact NH1-OE2 3.64Å; R571-E604 PolarHBondContact NH1-OE2 3.38Å; R571-E604 IonicContact NH2-OE2 3.82Å; R571-E604 PolarHBondContact NH2-OE2 2.8Å
572	Q	90.3	Very high	87.2	Confident	158 Å²	158	63.5 Å²	63.5	74%	0.738	32%	0.316	S	S	*	.	H	α-helix	trans	-68.9	-38.6	-175.4	-69.4	-178.3	-10.1	0	0	112.4	V570 N576	V570-Q572 VanDerWaalsContact C-N 3.34Å; V570-Q572 PolarHBondContact O-N 2.83Å; Q572-N576 VanDerWaalsContact O-CG 3.31Å; Q572-N576 PolarHBondContact O-N 2.96Å; Q572-N576 VanDerWaalsContact O-N 3.17Å
573	Q	90.1	Very high	88	Confident	123 Å²	123	63 Å²	63	58%	0.575	32%	0.316	S	S	*	.	H	α-helix	trans	-65.5	-44.4	176.6	-65.9	175.1	-17.1	0	0	110.7	V570 N576 I577 F735	V570-Q573 PolarHBondContact O-N 3.38Å; V570-Q573 VanDerWaalsContact O-N 3.16Å; Q573-N576 PolarHBondContact O-N 2.82Å; Q573-I577 WeakPolarHBondContact O-CG1 3.46Å; Q573-I577 PolarHBondContact O-N 3.42Å; Q573-I577 VanDerWaalsContact O-N 3.16Å; Q573-F735 HydrophobicContact CB-CE2 4.15Å; Q573-F735 HydrophobicContact CB-CZ 4.12Å
574	L	90.4	Very high	88.5	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-46.5	177.1	178.6	56.8	0	0	0	112.4	I567 V570 R571 N576 I577 I578 V586 L598 F735	I567-L574 HydrophobicContact CD1-CD2 4.05Å; I567-L574 HydrophobicContact CG1-CD2 4.12Å; V570-L574 PolarHBondContact O-N 2.81Å; V570-L574 VanDerWaalsContact O-N 3.09Å; R571-L574 PolarHBondContact O-N 2.71Å; L574-N576 PolarHBondContact O-N 2.63Å; L574-I577 PolarHBondContact O-N 3.49Å; L574-I578 HydrophobicContact CD1-CD1 3.8Å; L574-I578 HydrophobicContact CD1-CG1 4.34Å; L574-I578 HydrophobicContact CG-CD1 3.9Å; L574-I578 WeakPolarHBondContact O-CD1 3.46Å; L574-I578 VanDerWaalsContact O-CG1 3.3Å; L574-I578 WeakPolarHBondContact O-CG1 3.37Å; L574-I578 PolarHBondContact O-N 2.9Å; L574-I578 VanDerWaalsContact O-N 3.09Å; L574-V586 HydrophobicContact CD1-CG2 3.84Å; L574-L598 HydrophobicContact CD2-CD1 4.12Å; L574-F735 HydrophobicContact CB-CD1 4.43Å; L574-F735 HydrophobicContact CB-CE1 3.93Å; L574-F735 HydrophobicContact CB-CZ 4.26Å; L574-F735 HydrophobicContact CD1-CD1 3.8Å; L574-F735 HydrophobicContact CD1-CE1 4.16Å; L574-F735 HydrophobicContact CD1-CG 4.36Å; L574-F735 HydrophobicContact CG-CE1 4.47Å
575	L	90.6	Very high	89	Confident	12 Å²	12	52.5 Å²	52.5	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-37.9	178.3	-75.8	171.9	0	0	0	112.8	R571 I578 R579 D605	R571-L575 HydrophobicContact CG-CD1 4Å; R571-L575 WeakPolarHBondContact O-CG 3.39Å; R571-L575 PolarHBondContact O-N 2.97Å; L575-I578 PolarHBondContact O-N 3.02Å; L575-R579 WeakPolarHBondContact O-CD 3.49Å; L575-R579 VanDerWaalsContact O-CG 3.28Å; L575-R579 WeakPolarHBondContact O-CG 3.23Å; L575-R579 PolarHBondContact O-N 3.12Å; L575-D605 HydrophobicContact CD2-CB 4.1Å
576	N	91.8	Very high	89.4	Confident	84 Å²	84	50.5 Å²	50.5	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-62.6	-47.9	175.3	-70.1	-10.9	0	0	0	111.3	Q572 Q573 L574 I578 R579 D580	Q572-N576 VanDerWaalsContact O-CG 3.31Å; Q572-N576 PolarHBondContact O-N 2.96Å; Q572-N576 VanDerWaalsContact O-N 3.17Å; Q573-N576 PolarHBondContact O-N 2.82Å; L574-N576 PolarHBondContact O-N 2.63Å; N576-I578 VanDerWaalsContact C-N 3.29Å; N576-I578 PolarHBondContact O-N 2.89Å; N576-R579 WeakPolarHBondContact O-CB 3.35Å; N576-R579 PolarHBondContact O-N 3.3Å; N576-R579 VanDerWaalsContact O-N 3.08Å; N576-D580 PolarHBondContact O-N 3.24Å
577	I	91.7	Very high	89.7	Confident	43 Å²	43	50.3 Å²	50.3	22%	0.221	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-37.7	179.5	-65.8	164.7	0	0	0	111.8	Q573 L574 D580 N581 V584 P733 F735	Q573-I577 WeakPolarHBondContact O-CG1 3.46Å; Q573-I577 PolarHBondContact O-N 3.42Å; Q573-I577 VanDerWaalsContact O-N 3.16Å; L574-I577 PolarHBondContact O-N 3.49Å; I577-D580 PolarHBondContact O-N 3.4Å; I577-N581 PolarHBondContact O-N 3.36Å; I577-N581 VanDerWaalsContact O-N 3.14Å; I577-N581 PolarHBondContact O-ND2 2.9Å; I577-V584 HydrophobicContact CG2-CG1 3.87Å; I577-V584 HydrophobicContact CG2-CG2 4Å; I577-P733 HydrophobicContact CG2-CG 4.41Å; I577-F735 HydrophobicContact CD1-CD2 3.34Å; I577-F735 HydrophobicContact CD1-CE2 3.68Å; I577-F735 HydrophobicContact CD1-CG 4.24Å
578	I	90.7	Very high	89.5	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-68.4	-34.3	176	-67.9	163.4	0	0	0	112.2	L574 L575 N576 V584 L598 L602 K712 I714	L574-I578 HydrophobicContact CD1-CD1 3.8Å; L574-I578 HydrophobicContact CD1-CG1 4.34Å; L574-I578 HydrophobicContact CG-CD1 3.9Å; L574-I578 WeakPolarHBondContact O-CD1 3.46Å; L574-I578 VanDerWaalsContact O-CG1 3.3Å; L574-I578 WeakPolarHBondContact O-CG1 3.37Å; L574-I578 PolarHBondContact O-N 2.9Å; L574-I578 VanDerWaalsContact O-N 3.09Å; L575-I578 PolarHBondContact O-N 3.02Å; N576-I578 VanDerWaalsContact C-N 3.29Å; N576-I578 PolarHBondContact O-N 2.89Å; I578-V584 HydrophobicContact CG1-CG2 4.11Å; I578-L598 HydrophobicContact CD1-CD1 4.02Å; I578-L602 HydrophobicContact CD1-CD2 4.41Å; I578-L602 HydrophobicContact CG2-CD2 4.02Å; I578-K712 WeakPolarHBondContact O-CE 3.42Å; I578-K712 PolarHBondContact O-NZ 2.95Å; I578-I714 HydrophobicContact CD1-CD1 3.77Å; I578-I714 HydrophobicContact CG1-CD1 4.04Å; I578-I714 HydrophobicContact CG1-CG1 4.4Å; I578-I714 HydrophobicContact CG2-CD1 4.1Å
579	R	89	Confident	89.1	Confident	121 Å²	121	49.9 Å²	49.9	46%	0.457	26%	0.259	S	S	.	.	H	α-helix	trans	-67.3	-47.7	174.4	-70.4	160.8	174.6	-167.2	-4.2	110.6	L575 N576 N581 D605 K712	L575-R579 WeakPolarHBondContact O-CD 3.49Å; L575-R579 VanDerWaalsContact O-CG 3.28Å; L575-R579 WeakPolarHBondContact O-CG 3.23Å; L575-R579 PolarHBondContact O-N 3.12Å; N576-R579 WeakPolarHBondContact O-CB 3.35Å; N576-R579 PolarHBondContact O-N 3.3Å; N576-R579 VanDerWaalsContact O-N 3.08Å; R579-N581 PolarHBondContact O-N 2.87Å; R579-D605 IonicContact CZ-OD1 3Å; R579-D605 IonicContact CZ-OD2 3.31Å; R579-D605 IonicContact NE-OD1 2.71Å; R579-D605 IonicContact NE-OD2 2.59Å; R579-D605 PolarHBondContact NE-OD2 3.32Å; R579-D605 VanDerWaalsContact NH2-CG 3.33Å; R579-D605 IonicContact NH2-OD1 3.19Å; R579-D605 PolarHBondContact NH2-OD1 3.1Å; R579-D605 IonicContact NH2-OD2 2.74Å; R579-D605 PolarHBondContact NH2-OD2 3.21Å; R579-K712 PolarHBondContact O-NZ 2.88Å
580	D	90.3	Very high	88.5	Confident	131 Å²	131	47 Å²	47	70%	0.701	23%	0.232	S	C	*	.	H	α-helix	trans	-69	-29	-174.8	-63.1	-20.8	0	0	0	114	N576 I577	N576-D580 PolarHBondContact O-N 3.24Å; I577-D580 PolarHBondContact O-N 3.4Å
581	N	89.4	Confident	87.7	Confident	55 Å²	55	49.1 Å²	49.1	29%	0.294	26%	0.257	S	S	.	.			trans	-121.5	140.9	-173.3	-57.8	-91.8	0	0	0	111.7	I577 R579 I583 V584 K712 P733	I577-N581 PolarHBondContact O-N 3.36Å; I577-N581 VanDerWaalsContact O-N 3.14Å; I577-N581 PolarHBondContact O-ND2 2.9Å; R579-N581 PolarHBondContact O-N 2.87Å; N581-I583 WeakPolarHBondContact CB-O 3.32Å; N581-V584 HydrophobicContact CB-CG2 4.05Å; N581-K712 VanDerWaalsContact C-NZ 3.33Å; N581-K712 PolarHBondContact O-NZ 2.85Å; N581-P733 HydrophobicContact CB-CG 4.26Å
582	S	88.6	Confident	87.1	Confident	39 Å²	39	46.4 Å²	46.4	27%	0.273	25%	0.248	S	C	.	.	S	Bend	trans	-79.8	-19.5	175.3	-61	0	0	0	0	113.7	T709 L713	S582-T709 PolarHBondContact OG-O 2.91Å; S582-L713 PolarHBondContact O-N 2.93Å
583	I	91.3	Very high	86.5	Confident	22 Å²	22	39.3 Å²	39.3	11%	0.113	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.6	170.5	-46.5	-179.6	0	0	0	108.5	N581 V705 L713 F729 V732	N581-I583 WeakPolarHBondContact CB-O 3.32Å; I583-V705 HydrophobicContact CD1-CG1 4.07Å; I583-V705 HydrophobicContact CG1-CG1 3.88Å; I583-L713 CarbonylContact C-O 3.59Å; I583-L713 VanDerWaalsContact CA-O 3.26Å; I583-L713 WeakPolarHBondContact CA-O 3.49Å; I583-L713 HydrophobicContact CG1-CB 4.34Å; I583-L713 HydrophobicContact CG2-CB 4.33Å; I583-L713 HydrophobicContact CG2-CD2 4.19Å; I583-L713 HydrophobicContact CG2-CG 4.24Å; I583-F729 HydrophobicContact CD1-CB 4.16Å; I583-F729 HydrophobicContact CD1-CD1 3.8Å; I583-F729 HydrophobicContact CD1-CG 4.22Å; I583-F729 HydrophobicContact CG2-CB 4.45Å; I583-F729 HydrophobicContact CG2-CG 4.27Å; I583-V732 HydrophobicContact CB-CG1 4.17Å; I583-V732 HydrophobicContact CB-CG2 3.81Å; I583-V732 HydrophobicContact CD1-CG2 4.46Å; I583-V732 HydrophobicContact CG2-CG1 4Å; I583-V732 HydrophobicContact CG2-CG2 4Å; I583-V732 WeakPolarHBondContact O-CG1 3.47Å
584	V	91.8	Very high	86.3	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.8	173	-175.9	0	0	0	0	110.4	I577 I578 N581 V586 L713 I714 V715	I577-V584 HydrophobicContact CG2-CG1 3.87Å; I577-V584 HydrophobicContact CG2-CG2 4Å; I578-V584 HydrophobicContact CG1-CG2 4.11Å; N581-V584 HydrophobicContact CB-CG2 4.05Å; V584-V586 HydrophobicContact CG1-CG2 3.91Å; V584-L713 PolarHBondContact N-O 3.38Å; V584-I714 WeakPolarHBondContact O-CA 3.44Å; V584-V715 PolarHBondContact O-N 2.94Å
585	I	91.4	Very high	86	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.9	172.7	-64.6	158.5	0	0	0	108.5	V587 V715 F725 A726 V732 P733 I734 F735	I585-V587 HydrophobicContact CG2-CG2 4.29Å; I585-V715 WeakPolarHBondContact CA-O 3.35Å; I585-V715 HydrophobicContact CG1-CB 4.42Å; I585-F725 VanDerWaalsContact CD1-C 3.48Å; I585-F725 HydrophobicContact CD1-CB 3.74Å; I585-F725 HydrophobicContact CG1-CB 4.33Å; I585-A726 VanDerWaalsContact CD1-CA 3.43Å; I585-A726 HydrophobicContact CD1-CB 3.9Å; I585-A726 VanDerWaalsContact CD1-N 3.28Å; I585-V732 HydrophobicContact CD1-CB 4.08Å; I585-V732 HydrophobicContact CD1-CG1 3.87Å; I585-V732 HydrophobicContact CG1-CG1 3.9Å; I585-P733 PolarHBondContact N-O 2.97Å; I585-P733 VanDerWaalsContact N-O 3.15Å; I585-I734 HydrophobicContact CB-CG1 4.41Å; I585-I734 HydrophobicContact CD1-CG1 4.48Å; I585-I734 HydrophobicContact CG2-CG1 4.46Å; I585-I734 HydrophobicContact CG2-CG2 4.38Å; I585-I734 CarbonylContact O-C 3.19Å; I585-I734 WeakPolarHBondContact O-CA 3.4Å; I585-F735 PolarHBondContact O-N 3.39Å
586	V	90.1	Very high	85.7	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	105.8	-175.5	177.9	0	0	0	0	109.9	L574 V584 I714 V715 T716 S717 I737	L574-V586 HydrophobicContact CD1-CG2 3.84Å; V584-V586 HydrophobicContact CG1-CG2 3.91Å; V586-I714 HydrophobicContact CB-CG2 4.5Å; V586-I714 HydrophobicContact CG2-CG2 3.77Å; V586-V715 PolarHBondContact N-O 3.49Å; V586-T716 HydrophobicContact CB-CG2 3.69Å; V586-T716 HydrophobicContact CG1-CG2 3.92Å; V586-T716 WeakPolarHBondContact O-CA 3.41Å; V586-S717 PolarHBondContact O-N 2.81Å; V586-I737 HydrophobicContact CG1-CD1 3.56Å; V586-I737 HydrophobicContact CG1-CG1 4.17Å
587	V	88	Confident	85.6	Confident	15 Å²	15	31.8 Å²	31.8	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.5	179	-178.8	0	0	0	0	109.3	I585 I734 F735 H736 I737	I585-V587 HydrophobicContact CG2-CG2 4.29Å; V587-I734 HydrophobicContact CG2-CG2 3.74Å; V587-F735 PolarHBondContact N-O 2.82Å; V587-H736 WeakPolarHBondContact O-CA 3.45Å; V587-I737 PolarHBondContact O-N 3.39Å
588	G	83.1	Confident	85.5	Confident	4 Å²	4	30 Å²	30	4%	0.041	17%	0.173	C	C	.	.			trans	-171.7	145.4	173.3	0	0	0	0	0	113.1	K594 S717 A718	G588-K594 PolarHBondContact O-NZ 2.63Å; G588-S717 PolarHBondContact N-O 3.1Å; G588-A718 WeakPolarHBondContact O-CA 3.31Å
589	E	77.5	Confident	85.5	Confident	68 Å²	68	29.9 Å²	29.9	32%	0.318	17%	0.172	S	C	.	.			trans	-51.9	149.3	-178.6	-71	172.6	-171.1	0	0	112.9	G591 S592 G739 R740 T741	E589-G591 PolarHBondContact O-N 2.96Å; E589-S592 VanDerWaalsContact O-CB 3.27Å; E589-S592 WeakPolarHBondContact O-CB 3.38Å; E589-S592 PolarHBondContact O-N 3.29Å; E589-S592 VanDerWaalsContact O-N 3.11Å; E589-S592 PolarHBondContact O-OG 3.21Å; E589-G739 VanDerWaalsContact OE1-CA 3.31Å; E589-G739 WeakPolarHBondContact OE1-CA 3.31Å; E589-G739 WeakPolarHBondContact OE2-CA 3.43Å; E589-R740 PolarHBondContact OE2-N 3.25Å; E589-T741 PolarHBondContact OE1-OG1 3.06Å; E589-T741 PolarHBondContact OE2-N 3.1Å; E589-T741 PolarHBondContact OE2-OG1 3.24Å
590	T	74.4	Confident	85.5	Confident	30 Å²	30	24.3 Å²	24.3	18%	0.184	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	127	173.5	64.1	0	0	0	0	110.2	A718 R894	T590-A718 HydrophobicContact CG2-CB 3.77Å; T590-R894 PolarHBondContact OG1-NH2 3.25Å
591	G	72.1	Confident	85.6	Confident	60 Å²	60	18.2 Å²	18.2	62%	0.619	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	96	-5.5	-174.4	0	0	0	0	0	115.1	E589 G593	E589-G591 PolarHBondContact O-N 2.96Å; G591-G593 PolarHBondContact O-N 3.31Å
592	S	77	Confident	85.6	Confident	5 Å²	5	15.6 Å²	15.6	4%	0.035	10%	0.104	C	C	.	.	S	Bend	trans	-65.5	-14.9	173.1	55.9	0	0	0	0	114.8	P566 I567 E589 K594	P566-S592 WeakPolarHBondContact CD-O 3.46Å; I567-S592 WeakPolarHBondContact CB-O 3.34Å; I567-S592 WeakPolarHBondContact CG2-O 3.42Å; I567-S592 PolarHBondContact N-O 3.21Å; I567-S592 VanDerWaalsContact N-O 3.11Å; E589-S592 VanDerWaalsContact O-CB 3.27Å; E589-S592 WeakPolarHBondContact O-CB 3.38Å; E589-S592 PolarHBondContact O-N 3.29Å; E589-S592 VanDerWaalsContact O-N 3.11Å; E589-S592 PolarHBondContact O-OG 3.21Å; S592-K594 WeakPolarHBondContact OG-CG 3.49Å
593	G	78.4	Confident	85.6	Confident	8 Å²	8	16.4 Å²	16.4	8%	0.082	10%	0.104	C	C	.	.	S	Bend	trans	106.4	0.4	177.7	0	0	0	0	0	115.8	G591 T595 T596 Q597	G591-G593 PolarHBondContact O-N 3.31Å; G593-T595 PolarHBondContact O-N 2.91Å; G593-T596 PolarHBondContact O-N 2.98Å; G593-Q597 WeakPolarHBondContact O-CB 3.45Å; G593-Q597 PolarHBondContact O-N 3.05Å
594	K	85.1	Confident	85.4	Confident	7 Å²	7	19.5 Å²	19.5	3%	0.03	12%	0.118	C	C	.	.	H	α-helix	trans	-40	-65.8	-177.6	-49.4	-160.6	-54.4	-79.8	0	112.9	G588 S592 T596 L598 E686 T716 S717 I737	G588-K594 PolarHBondContact O-NZ 2.63Å; S592-K594 WeakPolarHBondContact OG-CG 3.49Å; K594-T596 PolarHBondContact O-N 3.43Å; K594-L598 WeakPolarHBondContact O-CB 3.41Å; K594-L598 PolarHBondContact O-N 3.49Å; K594-E686 IonicContact NZ-OE2 3.18Å; K594-T716 HydrophobicContact CB-CG2 4.29Å; K594-T716 HydrophobicContact CD-CG2 4.14Å; K594-S717 WeakPolarHBondContact CE-O 3.5Å; K594-S717 PolarHBondContact NZ-O 2.91Å; K594-I737 HydrophobicContact CD-CD1 4.39Å; K594-I737 HydrophobicContact CG-CD1 4.03Å
595	T	84	Confident	85.1	Confident	30 Å²	30	21.7 Å²	21.7	18%	0.184	13%	0.13	C	C	.	.	H	α-helix	trans	-64.3	-36.9	-168.8	-41.8	0	0	0	0	114	G593 Q617 V626 D685	G593-T595 PolarHBondContact O-N 2.91Å; T595-Q617 VanDerWaalsContact CG2-NE2 3.3Å; T595-V626 HydrophobicContact CG2-CB 4.44Å; T595-V626 HydrophobicContact CG2-CG1 3.8Å; T595-V626 HydrophobicContact CG2-CG2 3.8Å; T595-D685 VanDerWaalsContact CB-OD2 3.28Å; T595-D685 WeakPolarHBondContact CB-OD2 3.5Å; T595-D685 WeakPolarHBondContact CG2-OD2 3.28Å; T595-D685 PolarHBondContact OG1-OD2 2.69Å
596	T	85.3	Confident	84.8	Confident	26 Å²	26	22.1 Å²	22.1	16%	0.16	13%	0.134	C	C	.	.	H	α-helix	trans	-88.4	-34.9	-177.4	58.1	0	0	0	0	112.8	G593 K594 T599 Q600 R629 V630	G593-T596 PolarHBondContact O-N 2.98Å; K594-T596 PolarHBondContact O-N 3.43Å; T596-T599 PolarHBondContact O-OG1 3.09Å; T596-Q600 WeakPolarHBondContact O-CG 3.33Å; T596-Q600 PolarHBondContact O-NE2 2.75Å; T596-R629 HydrophobicContact CG2-CG 4.48Å; T596-V630 HydrophobicContact CG2-CG2 4.03Å
597	Q	88.6	Confident	84.5	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-94.8	-29.9	-172.6	-57.2	-51.2	-66.8	0	0	114.2	L565 I567 G593 T599 Q600 Y601 E633	L565-Q597 HydrophobicContact CD1-CG 3.61Å; I567-Q597 HydrophobicContact CG2-CB 3.76Å; I567-Q597 HydrophobicContact CG2-CG 3.76Å; G593-Q597 WeakPolarHBondContact O-CB 3.45Å; G593-Q597 PolarHBondContact O-N 3.05Å; Q597-T599 PolarHBondContact O-N 2.9Å; Q597-Q600 PolarHBondContact O-N 3.1Å; Q597-Y601 HydrophobicContact CB-CD2 4.46Å; Q597-Y601 HydrophobicContact CB-CE1 4.14Å; Q597-Y601 HydrophobicContact CB-CE2 3.89Å; Q597-Y601 WeakPolarHBondContact O-CD1 3.3Å; Q597-Y601 PolarHBondContact O-N 3.17Å; Q597-E633 PolarHBondContact NE2-OE2 3.16Å
598	L	90.1	Very high	84.2	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-46.5	-175.6	179.8	62.5	0	0	0	112	L574 I578 K594 Q600 Y601 L602 I683 I714 T716	L574-L598 HydrophobicContact CD2-CD1 4.12Å; I578-L598 HydrophobicContact CD1-CD1 4.02Å; K594-L598 WeakPolarHBondContact O-CB 3.41Å; K594-L598 PolarHBondContact O-N 3.49Å; L598-Q600 PolarHBondContact O-N 3.1Å; L598-Y601 PolarHBondContact O-N 3.25Å; L598-L602 WeakPolarHBondContact O-CG 3.48Å; L598-L602 PolarHBondContact O-N 3.29Å; L598-I683 HydrophobicContact CB-CD1 4.34Å; L598-I683 HydrophobicContact CD2-CD1 3.8Å; L598-I683 HydrophobicContact CD2-CG1 3.89Å; L598-I683 HydrophobicContact CD2-CG2 3.93Å; L598-I683 HydrophobicContact CG-CD1 3.75Å; L598-I683 HydrophobicContact CG-CG1 4.29Å; L598-I714 HydrophobicContact CD1-CD1 4.41Å; L598-I714 HydrophobicContact CD2-CG2 3.84Å; L598-T716 HydrophobicContact CD2-CG2 3.73Å
599	T	90.9	Very high	84	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-46.3	173.1	43.2	0	0	0	0	112.2	T596 Q597 L602 H603 V613 C615 I658 Y660 I683	T596-T599 PolarHBondContact O-OG1 3.09Å; Q597-T599 PolarHBondContact O-N 2.9Å; T599-L602 PolarHBondContact O-N 2.87Å; T599-H603 PolarHBondContact O-N 3.31Å; T599-V613 HydrophobicContact CG2-CG1 4.31Å; T599-C615 HydrophobicContact CG2-CB 3.71Å; T599-I658 HydrophobicContact CG2-CG2 4.08Å; T599-Y660 WeakPolarHBondContact CB-OH 3.43Å; T599-Y660 HydrophobicContact CG2-CE1 3.96Å; T599-Y660 WeakPolarHBondContact CG2-OH 3.48Å; T599-Y660 PolarHBondContact OG1-OH 2.94Å; T599-I683 HydrophobicContact CG2-CD1 3.54Å
600	Q	89.3	Confident	84.1	Confident	3 Å²	3	39.7 Å²	39.7	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-42.1	177.1	-67	-176.4	71.4	0	0	111.2	T596 Q597 L598 L602 H603 E604 V630 E633 I634	T596-Q600 WeakPolarHBondContact O-CG 3.33Å; T596-Q600 PolarHBondContact O-NE2 2.75Å; Q597-Q600 PolarHBondContact O-N 3.1Å; L598-Q600 PolarHBondContact O-N 3.1Å; Q600-L602 PolarHBondContact O-N 2.94Å; Q600-H603 PolarHBondContact O-N 3.43Å; Q600-E604 WeakPolarHBondContact O-CB 3.46Å; Q600-E604 VanDerWaalsContact O-CG 3.23Å; Q600-E604 WeakPolarHBondContact O-CG 3.28Å; Q600-E604 PolarHBondContact O-N 2.81Å; Q600-V630 HydrophobicContact CG-CG1 3.86Å; Q600-E633 PolarHBondContact NE2-OE2 2.99Å; Q600-I634 HydrophobicContact CG-CD1 4.22Å; Q600-I634 HydrophobicContact CG-CG1 4.38Å
601	Y	90.8	Very high	84.5	Confident	3 Å²	3	39.1 Å²	39.1	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-67.6	-33.7	178.6	-61.6	-16	0	0	0	113.2	I567 R571 Q597 L598 D605	I567-Y601 HydrophobicContact CG1-CE2 4.26Å; I567-Y601 HydrophobicContact CG2-CE2 4.39Å; R571-Y601 HydrophobicContact CB-CD2 4.3Å; R571-Y601 HydrophobicContact CB-CE2 3.92Å; R571-Y601 HydrophobicContact CG-CD1 4.45Å; R571-Y601 HydrophobicContact CG-CD2 3.77Å; R571-Y601 HydrophobicContact CG-CE2 3.81Å; R571-Y601 HydrophobicContact CG-CG 4.12Å; Q597-Y601 HydrophobicContact CB-CD2 4.46Å; Q597-Y601 HydrophobicContact CB-CE1 4.14Å; Q597-Y601 HydrophobicContact CB-CE2 3.89Å; Q597-Y601 WeakPolarHBondContact O-CD1 3.3Å; Q597-Y601 PolarHBondContact O-N 3.17Å; L598-Y601 PolarHBondContact O-N 3.25Å; Y601-D605 WeakPolarHBondContact O-CB 3.3Å; Y601-D605 PolarHBondContact O-N 2.75Å
602	L	89.9	Confident	85.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.8	-37.4	172.9	-65.4	175.3	0	0	0	112.5	I578 L598 T599 Q600 D605 G606 Y607 V613 A681 I683 I714	I578-L602 HydrophobicContact CD1-CD2 4.41Å; I578-L602 HydrophobicContact CG2-CD2 4.02Å; L598-L602 WeakPolarHBondContact O-CG 3.48Å; L598-L602 PolarHBondContact O-N 3.29Å; T599-L602 PolarHBondContact O-N 2.87Å; Q600-L602 PolarHBondContact O-N 2.94Å; L602-D605 PolarHBondContact O-N 3.38Å; L602-G606 PolarHBondContact O-N 3.06Å; L602-Y607 HydrophobicContact CB-CD2 4.22Å; L602-Y607 HydrophobicContact CD2-CD2 3.83Å; L602-Y607 HydrophobicContact CD2-CE2 3.93Å; L602-Y607 HydrophobicContact CD2-CG 4.45Å; L602-Y607 WeakPolarHBondContact O-CD2 3.4Å; L602-Y607 PolarHBondContact O-N 3.11Å; L602-V613 HydrophobicContact CB-CG2 4.2Å; L602-V613 HydrophobicContact CD1-CG1 4.08Å; L602-A681 HydrophobicContact CD1-CB 4Å; L602-I683 HydrophobicContact CD1-CD1 3.86Å; L602-I683 HydrophobicContact CD1-CG1 4.19Å; L602-I714 HydrophobicContact CD1-CD1 3.86Å; L602-I714 HydrophobicContact CD2-CD1 4.22Å
603	H	88.5	Confident	86.1	Confident	57 Å²	57	38.2 Å²	38.2	26%	0.264	18%	0.177	S	C	.	.	H	α-helix	trans	-64.5	-46.9	172.7	175.3	60.6	0	0	0	111.2	T599 Q600 D605 G606 T608 I658	T599-H603 PolarHBondContact O-N 3.31Å; Q600-H603 PolarHBondContact O-N 3.43Å; H603-D605 VanDerWaalsContact C-N 3.31Å; H603-D605 PolarHBondContact O-N 3.38Å; H603-G606 PolarHBondContact O-N 3.2Å; H603-T608 HydrophobicContact CB-CG2 4Å; H603-T608 WeakPolarHBondContact ND1-CG2 3.42Å; H603-T608 PolarHBondContact ND1-OG1 3.4Å; H603-I658 HydrophobicContact CB-CD1 3.96Å; H603-I658 HydrophobicContact CB-CG1 4.42Å
604	E	87.3	Confident	86.8	Confident	86 Å²	86	37.8 Å²	37.8	40%	0.402	17%	0.173	S	C	.	.	H	α-helix	trans	-61.7	-33	175	-71.2	172.6	-138.9	0	0	112.9	R562 R571 Q600 G606	R562-E604 IonicContact CZ-OE1 2.78Å; R562-E604 IonicContact NH1-OE1 3.99Å; R562-E604 IonicContact NH2-OE1 3.47Å; R562-E604 PolarHBondContact NH2-OE1 3.06Å; R571-E604 IonicContact CZ-OE2 3.73Å; R571-E604 IonicContact NH1-OE2 3.64Å; R571-E604 PolarHBondContact NH1-OE2 3.38Å; R571-E604 IonicContact NH2-OE2 3.82Å; R571-E604 PolarHBondContact NH2-OE2 2.8Å; Q600-E604 WeakPolarHBondContact O-CB 3.46Å; Q600-E604 VanDerWaalsContact O-CG 3.23Å; Q600-E604 WeakPolarHBondContact O-CG 3.28Å; Q600-E604 PolarHBondContact O-N 2.81Å; E604-G606 VanDerWaalsContact C-N 3.27Å; E604-G606 PolarHBondContact O-N 3.07Å
605	D	85.8	Confident	87.2	Confident	48 Å²	48	37.5 Å²	37.5	26%	0.257	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.6	174.4	-147.8	44.4	0	0	0	113.4	L575 R579 Y601 L602 H603 Y607	L575-D605 HydrophobicContact CD2-CB 4.1Å; R579-D605 IonicContact CZ-OD1 3Å; R579-D605 IonicContact CZ-OD2 3.31Å; R579-D605 IonicContact NE-OD1 2.71Å; R579-D605 IonicContact NE-OD2 2.59Å; R579-D605 PolarHBondContact NE-OD2 3.32Å; R579-D605 VanDerWaalsContact NH2-CG 3.33Å; R579-D605 IonicContact NH2-OD1 3.19Å; R579-D605 PolarHBondContact NH2-OD1 3.1Å; R579-D605 IonicContact NH2-OD2 2.74Å; R579-D605 PolarHBondContact NH2-OD2 3.21Å; Y601-D605 WeakPolarHBondContact O-CB 3.3Å; Y601-D605 PolarHBondContact O-N 2.75Å; L602-D605 PolarHBondContact O-N 3.38Å; H603-D605 VanDerWaalsContact C-N 3.31Å; H603-D605 PolarHBondContact O-N 3.38Å; D605-Y607 HydrophobicContact CB-CD2 4.12Å; D605-Y607 HydrophobicContact CB-CE2 4.11Å
606	G	85.4	Confident	87.6	Confident	10 Å²	10	36 Å²	36	10%	0.103	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	10.4	171.6	0	0	0	0	0	116.4	L602 H603 E604 T608 R609	L602-G606 PolarHBondContact O-N 3.06Å; H603-G606 PolarHBondContact O-N 3.2Å; E604-G606 VanDerWaalsContact C-N 3.27Å; E604-G606 PolarHBondContact O-N 3.07Å; G606-T608 PolarHBondContact O-N 3.46Å; G606-R609 VanDerWaalsContact O-CB 3.32Å; G606-R609 WeakPolarHBondContact O-CB 3.23Å; G606-R609 WeakPolarHBondContact O-CG 3.48Å; G606-R609 PolarHBondContact O-N 3.43Å
607	Y	82.8	Confident	87.8	Confident	37 Å²	37	35.1 Å²	35.1	15%	0.145	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-58.5	-28.8	176	-75.1	-90.2	0	0	0	112.6	L602 D605 R609 Y610 S680 K712	L602-Y607 HydrophobicContact CB-CD2 4.22Å; L602-Y607 HydrophobicContact CD2-CD2 3.83Å; L602-Y607 HydrophobicContact CD2-CE2 3.93Å; L602-Y607 HydrophobicContact CD2-CG 4.45Å; L602-Y607 WeakPolarHBondContact O-CD2 3.4Å; L602-Y607 PolarHBondContact O-N 3.11Å; D605-Y607 HydrophobicContact CB-CD2 4.12Å; D605-Y607 HydrophobicContact CB-CE2 4.11Å; Y607-R609 PolarHBondContact O-N 3.05Å; Y607-R609 VanDerWaalsContact O-N 3.16Å; Y607-Y610 PolarHBondContact O-N 2.85Å; Y607-S680 WeakPolarHBondContact O-CB 3.22Å; Y607-S680 PolarHBondContact O-OG 3.15Å; Y607-K712 HydrophobicContact CD1-CG 4.44Å; Y607-K712 HydrophobicContact CE1-CG 3.79Å
608	T	81.5	Confident	87.5	Confident	9 Å²	9	36.6 Å²	36.6	6%	0.055	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-69.9	-2.9	175.5	57.5	0	0	0	0	114.6	H603 G606 Y610 G611 V613 M657	H603-T608 HydrophobicContact CB-CG2 4Å; H603-T608 WeakPolarHBondContact ND1-CG2 3.42Å; H603-T608 PolarHBondContact ND1-OG1 3.4Å; G606-T608 PolarHBondContact O-N 3.46Å; T608-Y610 VanDerWaalsContact C-N 3.33Å; T608-G611 VanDerWaalsContact CA-O 3.28Å; T608-G611 WeakPolarHBondContact CA-O 3.48Å; T608-V613 HydrophobicContact CG2-CB 4.31Å; T608-V613 HydrophobicContact CG2-CG2 3.63Å; T608-M657 HydrophobicContact CG2-CB 4.04Å; T608-M657 WeakPolarHBondContact O-CE 3.07Å
609	R	80.3	Confident	87.1	Confident	211 Å²	211	39.9 Å²	39.9	80%	0.796	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-78.9	-17.1	175.1	-65	-179.4	-178.6	-175.5	2.2	113.5	G606 Y607	G606-R609 VanDerWaalsContact O-CB 3.32Å; G606-R609 WeakPolarHBondContact O-CB 3.23Å; G606-R609 WeakPolarHBondContact O-CG 3.48Å; G606-R609 PolarHBondContact O-N 3.43Å; Y607-R609 PolarHBondContact O-N 3.05Å; Y607-R609 VanDerWaalsContact O-N 3.16Å
610	Y	78.1	Confident	86.7	Confident	200 Å²	200	43.6 Å²	43.6	78%	0.784	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-18.6	-173.7	-56.1	-74.2	0	0	0	113.6	Y607 T608	Y607-Y610 PolarHBondContact O-N 2.85Å; T608-Y610 VanDerWaalsContact C-N 3.33Å
611	G	83.8	Confident	86	Confident	18 Å²	18	48.4 Å²	48.4	19%	0.186	22%	0.222	C	C	.	.	S	Bend	trans	175.8	172.2	-178.4	0	0	0	0	0	109.8	T608 S680	T608-G611 VanDerWaalsContact CA-O 3.28Å; T608-G611 WeakPolarHBondContact CA-O 3.48Å; G611-S680 PolarHBondContact O-OG 2.96Å; G611-S680 VanDerWaalsContact O-OG 3.12Å
612	M	90.1	Very high	85.5	Confident	45 Å²	45	48.7 Å²	48.7	22%	0.222	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	153.8	179.5	-69.8	-178.8	-81.1	0	0	112.5	T656 H678 Y679 S680	M612-T656 WeakPolarHBondContact CG-O 3.24Å; M612-H678 HydrophobicContact CE-CB 3.85Å; M612-H678 PolarHBondContact N-O 2.94Å; M612-Y679 HydrophobicContact CB-CD1 3.91Å; M612-Y679 HydrophobicContact CB-CE1 4Å; M612-Y679 HydrophobicContact CE-CE1 4.45Å; M612-Y679 WeakPolarHBondContact O-CA 3.37Å; M612-S680 PolarHBondContact O-N 2.73Å; M612-S680 PolarHBondContact O-OG 3.43Å
613	V	92.9	Very high	85.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.4	165	174.4	0	0	0	0	108.8	T599 L602 T608 M657 K659 A681 I683	T599-V613 HydrophobicContact CG2-CG1 4.31Å; L602-V613 HydrophobicContact CB-CG2 4.2Å; L602-V613 HydrophobicContact CD1-CG1 4.08Å; T608-V613 HydrophobicContact CG2-CB 4.31Å; T608-V613 HydrophobicContact CG2-CG2 3.63Å; V613-M657 PolarHBondContact N-O 2.85Å; V613-K659 PolarHBondContact O-N 3.11Å; V613-A681 HydrophobicContact CG2-CB 4.41Å; V613-I683 HydrophobicContact CG1-CD1 4.3Å
614	G	93.1	Very high	84.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.6	174	0	0	0	0	0	111.3	A681 V682 I683	G614-A681 PolarHBondContact N-O 2.93Å; G614-V682 WeakPolarHBondContact O-CA 3.26Å; G614-I683 PolarHBondContact O-N 2.85Å
615	C	93.6	Very high	84.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.6	171.2	-177.1	0	0	0	0	109.7	T599 K659 Y660 M661 I683	T599-C615 HydrophobicContact CG2-CB 3.71Å; C615-K659 PolarHBondContact N-O 3.22Å; C615-Y660 HydrophobicContact CB-CD1 3.65Å; C615-Y660 HydrophobicContact CB-CE1 3.72Å; C615-Y660 CarbonylContact O-C 3.56Å; C615-Y660 WeakPolarHBondContact O-CA 3.49Å; C615-M661 PolarHBondContact O-N 3.02Å; C615-I683 WeakPolarHBondContact CA-O 3.38Å; C615-I683 HydrophobicContact CB-CB 4.34Å
616	T	92.6	Very high	84.5	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	150.3	179.5	92.7	0	0	0	0	111.5	M661 D663 L666 V682 I683 D685 L697	T616-M661 CarbonylContact C-O 3.06Å; T616-M661 VanDerWaalsContact CA-O 3.27Å; T616-M661 WeakPolarHBondContact CA-O 3.44Å; T616-D663 WeakPolarHBondContact CB-OD1 3.46Å; T616-D663 PolarHBondContact OG1-OD1 3.5Å; T616-L666 HydrophobicContact CG2-CB 4.37Å; T616-L666 HydrophobicContact CG2-CD2 3.59Å; T616-V682 HydrophobicContact CG2-CG1 4.49Å; T616-I683 PolarHBondContact N-O 3.3Å; T616-D685 PolarHBondContact O-N 2.9Å; T616-L697 HydrophobicContact CG2-CD2 4.4Å
617	Q	89.2	Confident	84.6	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.028	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	132.1	177.3	-71.4	-71.8	-51	0	0	108.6	T595 R619 A623 M661 T662 D663 D685	T595-Q617 VanDerWaalsContact CG2-NE2 3.3Å; Q617-R619 PolarHBondContact O-N 3.07Å; Q617-A623 HydrophobicContact CB-CB 4.17Å; Q617-A623 HydrophobicContact CG-CB 4.34Å; Q617-M661 PolarHBondContact N-O 3.15Å; Q617-T662 VanDerWaalsContact O-CA 3.31Å; Q617-T662 WeakPolarHBondContact O-CA 3.47Å; Q617-D663 VanDerWaalsContact C-OD1 3.32Å; Q617-D663 PolarHBondContact N-OD1 2.81Å; Q617-D685 PolarHBondContact NE2-OD2 3.39Å
618	P	82.4	Confident	84.7	Confident	32 Å²	32	46.7 Å²	46.7	21%	0.208	22%	0.221	C	C	.	.	S	Bend	trans	-63.8	-16.5	175.5	23.1	-32.3	0	0	0	113.1	D685 E686 E689	P618-D685 WeakPolarHBondContact CD-O 3.39Å; P618-E686 HydrophobicContact CG-CB 4.31Å; P618-E689 HydrophobicContact CG-CB 4.28Å; P618-E689 HydrophobicContact CG-CG 4.34Å
619	R	81.9	Confident	84.8	Confident	72 Å²	72	50.1 Å²	50.1	27%	0.272	23%	0.233	S	C	.	.			trans	-124.6	124	-171	-58	-175.6	-168.8	170	-7.4	113.6	Q617 V621 A622 A623 E689 T845 S846	Q617-R619 PolarHBondContact O-N 3.07Å; R619-V621 VanDerWaalsContact C-N 3.33Å; R619-V621 PolarHBondContact O-N 3.46Å; R619-A622 HydrophobicContact CB-CB 4.18Å; R619-A622 WeakPolarHBondContact O-CB 3.37Å; R619-A622 PolarHBondContact O-N 3.39Å; R619-A623 PolarHBondContact O-N 2.94Å; R619-A623 VanDerWaalsContact O-N 3.1Å; R619-E689 VanDerWaalsContact CZ-CD 3.42Å; R619-E689 IonicContact CZ-OE1 3.71Å; R619-E689 IonicContact CZ-OE2 2.96Å; R619-E689 IonicContact NE-OE1 3.59Å; R619-E689 PolarHBondContact NE-OE1 3.44Å; R619-E689 IonicContact NE-OE2 2.68Å; R619-E689 PolarHBondContact NE-OE2 3.38Å; R619-E689 IonicContact NH1-OE1 2.74Å; R619-E689 IonicContact NH2-OE1 2.61Å; R619-E689 PolarHBondContact NH2-OE1 3.03Å; R619-E689 IonicContact NH2-OE2 2.66Å; R619-E689 PolarHBondContact NH2-OE2 3.39Å; R619-T845 VanDerWaalsContact CZ-OG1 3.29Å; R619-T845 PolarHBondContact NH1-OG1 3.43Å; R619-T845 PolarHBondContact NH2-OG1 2.93Å; R619-S846 WeakPolarHBondContact CD-OG 3.47Å; R619-S846 PolarHBondContact NH1-OG 3.26Å
620	R	81.5	Confident	85.1	Confident	79 Å²	79	40.1 Å²	40.1	30%	0.298	20%	0.195	S	C	.	.	H	α-helix	trans	-46.6	-50.3	175.6	-72.1	-176	64.6	143.4	9.6	113.7	A622 A623 M624 I646 R647 E649 T662	R620-A622 VanDerWaalsContact C-N 3.3Å; R620-A622 PolarHBondContact O-N 2.91Å; R620-A623 PolarHBondContact O-N 3.37Å; R620-M624 WeakPolarHBondContact O-CG 3.42Å; R620-M624 PolarHBondContact O-N 3.05Å; R620-M624 VanDerWaalsContact O-N 3.09Å; R620-I646 HydrophobicContact CB-CD1 4.18Å; R620-I646 HydrophobicContact CG-CB 4.34Å; R620-I646 HydrophobicContact CG-CD1 4.3Å; R620-R647 PolarHBondContact NH1-O 2.81Å; R620-R647 PolarHBondContact NH2-O 3.17Å; R620-R647 VanDerWaalsContact NH2-O 3.17Å; R620-E649 IonicContact NH2-OE2 2.75Å; R620-E649 PolarHBondContact NH2-OE2 3.28Å; R620-E649 VanDerWaalsContact NH2-OE2 3.09Å; R620-T662 HydrophobicContact CG-CG2 3.92Å
621	V	75.3	Confident	85.6	Confident	104 Å²	104	30.7 Å²	30.7	63%	0.63	16%	0.159	S	C	*	.	H	α-helix	trans	-65.5	-35.2	-175.9	-178.1	0	0	0	0	111.4	R619 S625	R619-V621 VanDerWaalsContact C-N 3.33Å; R619-V621 PolarHBondContact O-N 3.46Å; V621-S625 WeakPolarHBondContact O-CB 3.43Å; V621-S625 PolarHBondContact O-N 3.42Å; V621-S625 PolarHBondContact O-OG 3.47Å; V621-S625 VanDerWaalsContact O-OG 3.07Å
622	A	79.3	Confident	85.6	Confident	9 Å²	9	34.7 Å²	34.7	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-48.7	175.3	0	0	0	0	0	110.9	R619 R620 M624 S625 V626	R619-A622 HydrophobicContact CB-CB 4.18Å; R619-A622 WeakPolarHBondContact O-CB 3.37Å; R619-A622 PolarHBondContact O-N 3.39Å; R620-A622 VanDerWaalsContact C-N 3.3Å; R620-A622 PolarHBondContact O-N 2.91Å; A622-M624 VanDerWaalsContact C-N 3.34Å; A622-M624 PolarHBondContact O-N 2.84Å; A622-S625 PolarHBondContact O-N 3.3Å; A622-S625 PolarHBondContact O-OG 3.07Å; A622-V626 VanDerWaalsContact O-CB 3.25Å; A622-V626 WeakPolarHBondContact O-CB 3.22Å; A622-V626 WeakPolarHBondContact O-CG2 3.45Å; A622-V626 PolarHBondContact O-N 3.47Å
623	A	84.1	Confident	85.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-53.9	-48	176.4	0	0	0	0	0	112.3	Q617 R619 R620 A627 I646	Q617-A623 HydrophobicContact CB-CB 4.17Å; Q617-A623 HydrophobicContact CG-CB 4.34Å; R619-A623 PolarHBondContact O-N 2.94Å; R619-A623 VanDerWaalsContact O-N 3.1Å; R620-A623 PolarHBondContact O-N 3.37Å; A623-A627 WeakPolarHBondContact O-CB 3.46Å; A623-A627 PolarHBondContact O-N 2.96Å; A623-I646 HydrophobicContact CB-CG2 3.97Å
624	M	82.1	Confident	84.8	Confident	48 Å²	48	35.8 Å²	35.8	24%	0.236	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-46	178.2	-62.9	174.8	91.4	0	0	112.8	R620 A622 K628 Y644 I646 E649	R620-M624 WeakPolarHBondContact O-CG 3.42Å; R620-M624 PolarHBondContact O-N 3.05Å; R620-M624 VanDerWaalsContact O-N 3.09Å; A622-M624 VanDerWaalsContact C-N 3.34Å; A622-M624 PolarHBondContact O-N 2.84Å; M624-K628 WeakPolarHBondContact O-CB 3.5Å; M624-K628 PolarHBondContact O-N 3.39Å; M624-Y644 HydrophobicContact CE-CE2 3.99Å; M624-Y644 HydrophobicContact CG-CD2 3.97Å; M624-Y644 HydrophobicContact CG-CE2 3.65Å; M624-I646 HydrophobicContact CE-CD1 4.33Å; M624-I646 HydrophobicContact CG-CD1 3.65Å; M624-I646 HydrophobicContact SD-CD1 3.58Å; M624-I646 VanDerWaalsContact SD-CD1 3.58Å; M624-E649 WeakPolarHBondContact CE-OE1 3.48Å
625	S	80.2	Confident	84.3	Confident	67 Å²	67	39.1 Å²	39.1	47%	0.469	21%	0.212	S	C	.	.	H	α-helix	trans	-71.9	-37.8	-175.9	67.4	0	0	0	0	112.4	V621 A622 R629	V621-S625 WeakPolarHBondContact O-CB 3.43Å; V621-S625 PolarHBondContact O-N 3.42Å; V621-S625 PolarHBondContact O-OG 3.47Å; V621-S625 VanDerWaalsContact O-OG 3.07Å; A622-S625 PolarHBondContact O-N 3.3Å; A622-S625 PolarHBondContact O-OG 3.07Å; S625-R629 VanDerWaalsContact O-CB 3.24Å; S625-R629 WeakPolarHBondContact O-CB 3.44Å; S625-R629 PolarHBondContact O-N 3.26Å
626	V	85.1	Confident	83.9	Confident	19 Å²	19	40.8 Å²	40.8	12%	0.115	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-49.4	174.6	170.4	0	0	0	0	110.5	T595 A622 K628 R629 V630 Y660	T595-V626 HydrophobicContact CG2-CB 4.44Å; T595-V626 HydrophobicContact CG2-CG1 3.8Å; T595-V626 HydrophobicContact CG2-CG2 3.8Å; A622-V626 VanDerWaalsContact O-CB 3.25Å; A622-V626 WeakPolarHBondContact O-CB 3.22Å; A622-V626 WeakPolarHBondContact O-CG2 3.45Å; A622-V626 PolarHBondContact O-N 3.47Å; V626-K628 VanDerWaalsContact C-N 3.33Å; V626-K628 PolarHBondContact O-N 2.85Å; V626-R629 PolarHBondContact O-N 2.85Å; V626-R629 VanDerWaalsContact O-N 3.15Å; V626-V630 HydrophobicContact CG1-CG2 4.37Å; V626-V630 WeakPolarHBondContact O-CB 3.22Å; V626-V630 WeakPolarHBondContact O-CG2 3.39Å; V626-V630 PolarHBondContact O-N 3.48Å; V626-Y660 HydrophobicContact CB-CD1 4.5Å; V626-Y660 HydrophobicContact CG1-CD1 3.68Å; V626-Y660 HydrophobicContact CG1-CE1 3.31Å; V626-Y660 HydrophobicContact CG1-CE2 4.4Å; V626-Y660 HydrophobicContact CG1-CG 4.38Å
627	A	87.3	Confident	83.6	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-47.3	179	0	0	0	0	0	111.2	A623 R629 V630 S631 L638 V642 Y644 Y660	A623-A627 WeakPolarHBondContact O-CB 3.46Å; A623-A627 PolarHBondContact O-N 2.96Å; A627-R629 PolarHBondContact O-N 3.25Å; A627-V630 PolarHBondContact O-N 3.03Å; A627-S631 WeakPolarHBondContact O-CB 3.11Å; A627-S631 PolarHBondContact O-N 3.39Å; A627-L638 HydrophobicContact CB-CD1 3.88Å; A627-V642 HydrophobicContact CB-CG1 4.42Å; A627-V642 WeakPolarHBondContact O-CG1 3.47Å; A627-Y644 HydrophobicContact CB-CD1 4.18Å; A627-Y644 HydrophobicContact CB-CG 4.28Å; A627-Y660 HydrophobicContact CB-CD2 3.56Å; A627-Y660 HydrophobicContact CB-CE2 4.37Å; A627-Y660 HydrophobicContact CB-CG 4.02Å
628	K	84.9	Confident	83.5	Confident	61 Å²	61	49 Å²	49	27%	0.265	27%	0.266	S	S	.	.	H	α-helix	trans	-57.9	-49.7	173.7	178.7	174.2	166.8	176.5	0	111.8	M542 M624 V626 V630 S631 E632 L638	M542-K628 PolarHBondContact SD-NZ 2.79Å; M624-K628 WeakPolarHBondContact O-CB 3.5Å; M624-K628 PolarHBondContact O-N 3.39Å; V626-K628 VanDerWaalsContact C-N 3.33Å; V626-K628 PolarHBondContact O-N 2.85Å; K628-V630 VanDerWaalsContact C-N 3.3Å; K628-V630 PolarHBondContact O-N 3.11Å; K628-S631 WeakPolarHBondContact O-CB 3.28Å; K628-S631 PolarHBondContact O-N 3.05Å; K628-E632 WeakPolarHBondContact CE-OE1 3.45Å; K628-E632 IonicContact NZ-OE1 3.19Å; K628-E632 PolarHBondContact NZ-OE1 3.4Å; K628-E632 WeakPolarHBondContact O-CG 3.41Å; K628-E632 PolarHBondContact O-N 2.75Å; K628-L638 HydrophobicContact CB-CD2 4.08Å
629	R	83.3	Confident	83.5	Confident	82 Å²	82	48.2 Å²	48.2	31%	0.309	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-36	-178.2	175.3	57.5	-169.4	-170.1	2.1	112.5	T596 S625 V626 A627 E632 E633	T596-R629 HydrophobicContact CG2-CG 4.48Å; S625-R629 VanDerWaalsContact O-CB 3.24Å; S625-R629 WeakPolarHBondContact O-CB 3.44Å; S625-R629 PolarHBondContact O-N 3.26Å; V626-R629 PolarHBondContact O-N 2.85Å; V626-R629 VanDerWaalsContact O-N 3.15Å; A627-R629 PolarHBondContact O-N 3.25Å; R629-E632 PolarHBondContact O-N 2.82Å; R629-E633 IonicContact CZ-OE1 3.81Å; R629-E633 VanDerWaalsContact CZ-OE1 3.24Å; R629-E633 IonicContact NE-OE1 2.88Å; R629-E633 PolarHBondContact NE-OE1 3.03Å; R629-E633 IonicContact NH2-OE1 3.13Å; R629-E633 PolarHBondContact NH2-OE1 2.78Å; R629-E633 WeakPolarHBondContact O-CG 3.48Å; R629-E633 PolarHBondContact O-N 3.48Å
630	V	87.3	Confident	83.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-77.1	-33.2	178.7	172.6	0	0	0	0	111.3	T596 Q600 V626 A627 K628 E632 E633 I634 V642 Y660	T596-V630 HydrophobicContact CG2-CG2 4.03Å; Q600-V630 HydrophobicContact CG-CG1 3.86Å; V626-V630 HydrophobicContact CG1-CG2 4.37Å; V626-V630 WeakPolarHBondContact O-CB 3.22Å; V626-V630 WeakPolarHBondContact O-CG2 3.39Å; V626-V630 PolarHBondContact O-N 3.48Å; A627-V630 PolarHBondContact O-N 3.03Å; K628-V630 VanDerWaalsContact C-N 3.3Å; K628-V630 PolarHBondContact O-N 3.11Å; V630-E632 VanDerWaalsContact C-N 3.31Å; V630-E632 PolarHBondContact O-N 2.73Å; V630-E633 PolarHBondContact O-N 3.24Å; V630-E633 VanDerWaalsContact O-N 3.17Å; V630-I634 HydrophobicContact CG1-CD1 3.96Å; V630-I634 HydrophobicContact CG1-CG1 4.42Å; V630-I634 WeakPolarHBondContact O-CG1 3.46Å; V630-I634 PolarHBondContact O-N 2.79Å; V630-V642 HydrophobicContact CG1-CG2 4.28Å; V630-Y660 HydrophobicContact CB-CE2 4.25Å; V630-Y660 HydrophobicContact CG1-CE2 4.37Å; V630-Y660 WeakPolarHBondContact CG2-OH 3.27Å
631	S	87.5	Confident	84.1	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-57.5	-44.1	166.1	-153.5	0	0	0	0	111.4	A627 K628 E633 G635 T636 L638	A627-S631 WeakPolarHBondContact O-CB 3.11Å; A627-S631 PolarHBondContact O-N 3.39Å; K628-S631 WeakPolarHBondContact O-CB 3.28Å; K628-S631 PolarHBondContact O-N 3.05Å; S631-E633 PolarHBondContact O-N 2.98Å; S631-G635 PolarHBondContact O-N 2.81Å; S631-T636 PolarHBondContact O-N 3.47Å; S631-T636 VanDerWaalsContact O-N 3.13Å; S631-T636 PolarHBondContact OG-O 2.59Å; S631-L638 WeakPolarHBondContact OG-CA 3.44Å; S631-L638 PolarHBondContact OG-N 3.38Å; S631-L638 VanDerWaalsContact OG-N 3.16Å
632	E	84.4	Confident	84.8	Confident	102 Å²	102	43.4 Å²	43.4	48%	0.477	24%	0.241	S	C	.	.	H	α-helix	trans	-67.4	-28.3	174.5	-70	173.4	170.2	0	0	113.7	K628 R629 V630	K628-E632 WeakPolarHBondContact CE-OE1 3.45Å; K628-E632 IonicContact NZ-OE1 3.19Å; K628-E632 PolarHBondContact NZ-OE1 3.4Å; K628-E632 WeakPolarHBondContact O-CG 3.41Å; K628-E632 PolarHBondContact O-N 2.75Å; R629-E632 PolarHBondContact O-N 2.82Å; V630-E632 VanDerWaalsContact C-N 3.31Å; V630-E632 PolarHBondContact O-N 2.73Å
633	E	83.9	Confident	85.4	Confident	13 Å²	13	43 Å²	43	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-82.7	-26.1	177.2	-78.6	-177.7	-167.2	0	0	114.1	I558 Q597 Q600 R629 V630 S631	I558-E633 HydrophobicContact CD1-CG 4.18Å; I558-E633 HydrophobicContact CG1-CG 3.98Å; Q597-E633 PolarHBondContact NE2-OE2 3.16Å; Q600-E633 PolarHBondContact NE2-OE2 2.99Å; R629-E633 IonicContact CZ-OE1 3.81Å; R629-E633 VanDerWaalsContact CZ-OE1 3.24Å; R629-E633 IonicContact NE-OE1 2.88Å; R629-E633 PolarHBondContact NE-OE1 3.03Å; R629-E633 IonicContact NH2-OE1 3.13Å; R629-E633 PolarHBondContact NH2-OE1 2.78Å; R629-E633 WeakPolarHBondContact O-CG 3.48Å; R629-E633 PolarHBondContact O-N 3.48Å; V630-E633 PolarHBondContact O-N 3.24Å; V630-E633 VanDerWaalsContact O-N 3.17Å; S631-E633 PolarHBondContact O-N 2.98Å
634	I	82.9	Confident	85.8	Confident	55 Å²	55	43.8 Å²	43.8	28%	0.282	24%	0.241	S	C	.	.	H	α-helix	trans	-87.8	-30.8	173.5	-65.2	175.6	0	0	0	111.1	Q600 V630 T636 V642 I658	Q600-I634 HydrophobicContact CG-CD1 4.22Å; Q600-I634 HydrophobicContact CG-CG1 4.38Å; V630-I634 HydrophobicContact CG1-CD1 3.96Å; V630-I634 HydrophobicContact CG1-CG1 4.42Å; V630-I634 WeakPolarHBondContact O-CG1 3.46Å; V630-I634 PolarHBondContact O-N 2.79Å; I634-T636 HydrophobicContact CG2-CG2 4.16Å; I634-V642 HydrophobicContact CD1-CG2 3.75Å; I634-I658 HydrophobicContact CD1-CD1 4.1Å
635	G	82.5	Confident	86	Confident	69 Å²	69	41.5 Å²	41.5	71%	0.711	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.9	16.4	179.6	0	0	0	0	0	114.8	S631	S631-G635 PolarHBondContact O-N 2.81Å
636	T	84.9	Confident	86.3	Confident	36 Å²	36	38.6 Å²	38.6	22%	0.221	21%	0.208	C	C	.	.			trans	-104.5	164.4	-179.1	48.3	0	0	0	0	112.7	S631 I634 E641	S631-T636 PolarHBondContact O-N 3.47Å; S631-T636 VanDerWaalsContact O-N 3.13Å; S631-T636 PolarHBondContact OG-O 2.59Å; I634-T636 HydrophobicContact CG2-CG2 4.16Å; T636-E641 HydrophobicContact CG2-CB 4.41Å; T636-E641 HydrophobicContact CG2-CG 4.19Å; T636-E641 WeakPolarHBondContact CG2-OE2 3.21Å
637	N	86.3	Confident	85.9	Confident	109 Å²	109	41.9 Å²	41.9	58%	0.583	22%	0.219	S	C	*	.			trans	-77.2	144	171.4	-60	-55.3	0	0	0	111.3	G639 E640	N637-G639 PolarHBondContact O-N 2.9Å; N637-E640 HydrophobicContact CB-CG 4.23Å; N637-E640 WeakPolarHBondContact CB-OE1 3.48Å; N637-E640 PolarHBondContact ND2-OE1 3.09Å; N637-E640 WeakPolarHBondContact O-CB 3.36Å; N637-E640 PolarHBondContact O-N 3.01Å; N637-E640 VanDerWaalsContact O-N 3.12Å
638	L	86	Confident	84.9	Confident	69 Å²	69	43.2 Å²	43.2	36%	0.361	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-66.9	123.6	177.2	-172.6	63.4	0	0	0	110.3	A627 K628 S631 Y644	A627-L638 HydrophobicContact CB-CD1 3.88Å; K628-L638 HydrophobicContact CB-CD2 4.08Å; S631-L638 WeakPolarHBondContact OG-CA 3.44Å; S631-L638 PolarHBondContact OG-N 3.38Å; S631-L638 VanDerWaalsContact OG-N 3.16Å; L638-Y644 HydrophobicContact CD1-CD1 4.05Å; L638-Y644 HydrophobicContact CD1-CE1 4.48Å; L638-Y644 HydrophobicContact CD2-CD1 4.13Å; L638-Y644 HydrophobicContact CD2-CE1 3.75Å; L638-Y644 HydrophobicContact CG-CD1 4.16Å; L638-Y644 HydrophobicContact CG-CE1 4.11Å
639	G	82.8	Confident	84.4	Confident	15 Å²	15	43.3 Å²	43.3	16%	0.155	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	103	-10.6	-173	0	0	0	0	0	114.4	N637 V642 S653	N637-G639 PolarHBondContact O-N 2.9Å; G639-V642 PolarHBondContact N-O 2.67Å; G639-S653 WeakPolarHBondContact O-CB 3.42Å; G639-S653 PolarHBondContact O-OG 3.16Å
640	E	87.6	Confident	84.3	Confident	78 Å²	78	44 Å²	44	36%	0.364	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-111.8	168.8	-63.6	-179.6	-149.9	0	0	109.6	N637 V642 K655 T656	N637-E640 HydrophobicContact CB-CG 4.23Å; N637-E640 WeakPolarHBondContact CB-OE1 3.48Å; N637-E640 PolarHBondContact ND2-OE1 3.09Å; N637-E640 WeakPolarHBondContact O-CB 3.36Å; N637-E640 PolarHBondContact O-N 3.01Å; N637-E640 VanDerWaalsContact O-N 3.12Å; E640-V642 VanDerWaalsContact C-N 3.34Å; E640-V642 PolarHBondContact O-N 3.18Å; E640-K655 CarbonylContact O-C 3.57Å; E640-T656 WeakPolarHBondContact O-CA 3.37Å; E640-T656 WeakPolarHBondContact O-CB 3.45Å; E640-T656 PolarHBondContact O-N 2.91Å; E640-T656 PolarHBondContact O-OG1 2.76Å
641	E	87.6	Confident	84.2	Confident	77 Å²	77	46.1 Å²	46.1	36%	0.36	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-34	-179.2	-62.9	-175.3	168.7	0	0	113.5	T636 M657 I658	T636-E641 HydrophobicContact CG2-CB 4.41Å; T636-E641 HydrophobicContact CG2-CG 4.19Å; T636-E641 WeakPolarHBondContact CG2-OE2 3.21Å; E641-M657 PolarHBondContact O-N 2.92Å; E641-I658 PolarHBondContact O-N 2.86Å; E641-I658 VanDerWaalsContact O-N 3.1Å
642	V	91.4	Very high	84.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.4	175.5	-176.3	0	0	0	0	108.9	A627 V630 I634 G639 E640 Y660	A627-V642 HydrophobicContact CB-CG1 4.42Å; A627-V642 WeakPolarHBondContact O-CG1 3.47Å; V630-V642 HydrophobicContact CG1-CG2 4.28Å; I634-V642 HydrophobicContact CD1-CG2 3.75Å; G639-V642 PolarHBondContact N-O 2.67Å; E640-V642 VanDerWaalsContact C-N 3.34Å; E640-V642 PolarHBondContact O-N 3.18Å; V642-Y660 HydrophobicContact CG1-CD2 4.05Å; V642-Y660 HydrophobicContact CG1-CE2 3.81Å
643	G	91.5	Very high	84.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	170.7	179.2	0	0	0	0	0	112.4	C651 I658 Y660	G643-C651 CarbonylContact C-O 3.56Å; G643-C651 WeakPolarHBondContact CA-O 3.3Å; G643-I658 PolarHBondContact N-O 2.89Å; G643-Y660 PolarHBondContact O-N 3.1Å
644	Y	91.8	Very high	84	Confident	17 Å²	17	55.4 Å²	55.4	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	145.7	170.3	73.8	-82.6	0	0	0	113.3	M624 A627 L638 I646 E649 C651 Y660	M624-Y644 HydrophobicContact CE-CE2 3.99Å; M624-Y644 HydrophobicContact CG-CD2 3.97Å; M624-Y644 HydrophobicContact CG-CE2 3.65Å; A627-Y644 HydrophobicContact CB-CD1 4.18Å; A627-Y644 HydrophobicContact CB-CG 4.28Å; L638-Y644 HydrophobicContact CD1-CD1 4.05Å; L638-Y644 HydrophobicContact CD1-CE1 4.48Å; L638-Y644 HydrophobicContact CD2-CD1 4.13Å; L638-Y644 HydrophobicContact CD2-CE1 3.75Å; L638-Y644 HydrophobicContact CG-CD1 4.16Å; L638-Y644 HydrophobicContact CG-CE1 4.11Å; Y644-I646 HydrophobicContact CD2-CD1 4.34Å; Y644-I646 HydrophobicContact CD2-CG1 4.33Å; Y644-I646 HydrophobicContact CD2-CG2 4.31Å; Y644-I646 HydrophobicContact CE2-CD1 4.05Å; Y644-I646 HydrophobicContact CE2-CG1 4.25Å; Y644-E649 HydrophobicContact CE2-CG 4.23Å; Y644-C651 HydrophobicContact CD1-CB 3.7Å; Y644-C651 HydrophobicContact CE1-CB 3.32Å; Y644-C651 HydrophobicContact CE2-CB 4.4Å; Y644-C651 HydrophobicContact CG-CB 4.37Å; Y644-C651 PolarHBondContact N-O 2.88Å; Y644-C651 CarbonylContact O-C 3.54Å; Y644-C651 PolarHBondContact O-N 2.95Å; Y644-C651 PolarHBondContact OH-SG 2.84Å; Y644-C651 VanDerWaalsContact OH-SG 3.39Å; Y644-Y660 CarbonylContact C-O 3.59Å; Y644-Y660 WeakPolarHBondContact CA-O 3.2Å; Y644-Y660 VanDerWaalsContact CB-O 3.3Å; Y644-Y660 WeakPolarHBondContact CB-O 3.48Å
645	A	87.8	Confident	84.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	115.3	-179.9	0	0	0	0	0	110.9	T652 Y660 M661 T662 I665	A645-T652 HydrophobicContact CB-CG2 4.39Å; A645-Y660 PolarHBondContact N-O 2.84Å; A645-M661 HydrophobicContact CB-CB 4.42Å; A645-M661 WeakPolarHBondContact O-CA 3.46Å; A645-M661 WeakPolarHBondContact O-CB 3.24Å; A645-T662 PolarHBondContact O-N 3.19Å; A645-I665 HydrophobicContact CB-CG2 4.18Å
646	I	86.1	Confident	84.4	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	164.3	-179.9	64.3	-178.8	0	0	0	110.8	R620 A623 M624 Y644 F648 E649 T662	R620-I646 HydrophobicContact CB-CD1 4.18Å; R620-I646 HydrophobicContact CG-CB 4.34Å; R620-I646 HydrophobicContact CG-CD1 4.3Å; A623-I646 HydrophobicContact CB-CG2 3.97Å; M624-I646 HydrophobicContact CE-CD1 4.33Å; M624-I646 HydrophobicContact CG-CD1 3.65Å; M624-I646 HydrophobicContact SD-CD1 3.58Å; M624-I646 VanDerWaalsContact SD-CD1 3.58Å; Y644-I646 HydrophobicContact CD2-CD1 4.34Å; Y644-I646 HydrophobicContact CD2-CG1 4.33Å; Y644-I646 HydrophobicContact CD2-CG2 4.31Å; Y644-I646 HydrophobicContact CE2-CD1 4.05Å; Y644-I646 HydrophobicContact CE2-CG1 4.25Å; I646-F648 PolarHBondContact O-N 3.43Å; I646-E649 HydrophobicContact CD1-CB 4.32Å; I646-E649 HydrophobicContact CG1-CB 3.85Å; I646-E649 HydrophobicContact CG1-CG 4.4Å; I646-E649 VanDerWaalsContact CG1-O 3.3Å; I646-E649 WeakPolarHBondContact CG1-O 3.35Å; I646-E649 PolarHBondContact N-O 2.93Å; I646-E649 CarbonylContact O-C 3.54Å; I646-E649 PolarHBondContact O-N 3.29Å; I646-T662 HydrophobicContact CB-CG2 4.36Å; I646-T662 HydrophobicContact CG2-CG2 3.91Å
647	R	77.1	Confident	84.6	Confident	88 Å²	88	58.5 Å²	58.5	33%	0.332	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	116.2	-177.5	-166.7	-178.1	-179.6	-165.6	-1.8	111.2	R620 P987	R620-R647 PolarHBondContact NH1-O 2.81Å; R620-R647 PolarHBondContact NH2-O 3.17Å; R620-R647 VanDerWaalsContact NH2-O 3.17Å; R647-P987 PolarHBondContact NH2-O 2.85Å
648	F	66.1	Low	84.9	Confident	28 Å²	28	53.5 Å²	53.5	12%	0.123	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	1.2	-177.6	-41.3	-55.6	0	0	0	117.9	I646 V1081 Q1084	I646-F648 PolarHBondContact O-N 3.43Å; F648-V1081 HydrophobicContact CB-CG2 4.29Å; F648-V1081 HydrophobicContact CD1-CB 4.45Å; F648-V1081 HydrophobicContact CD1-CG2 3.71Å; F648-V1081 HydrophobicContact CD2-CG2 3.69Å; F648-V1081 HydrophobicContact CE1-CB 4.44Å; F648-V1081 HydrophobicContact CE1-CG1 4.13Å; F648-V1081 HydrophobicContact CE1-CG2 3.83Å; F648-V1081 HydrophobicContact CE2-CG2 3.8Å; F648-V1081 HydrophobicContact CG-CG2 3.64Å; F648-V1081 HydrophobicContact CZ-CG1 4.33Å; F648-V1081 HydrophobicContact CZ-CG2 3.86Å; F648-Q1084 PolarHBondContact O-NE2 3.06Å
649	E	74.8	Confident	85.3	Confident	64 Å²	64	51 Å²	51	30%	0.299	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	110.2	-174.8	-179.2	174.5	-159.7	0	0	109.5	R620 M624 Y644 I646	R620-E649 IonicContact NH2-OE2 2.75Å; R620-E649 PolarHBondContact NH2-OE2 3.28Å; R620-E649 VanDerWaalsContact NH2-OE2 3.09Å; M624-E649 WeakPolarHBondContact CE-OE1 3.48Å; Y644-E649 HydrophobicContact CE2-CG 4.23Å; I646-E649 HydrophobicContact CD1-CB 4.32Å; I646-E649 HydrophobicContact CG1-CB 3.85Å; I646-E649 HydrophobicContact CG1-CG 4.4Å; I646-E649 VanDerWaalsContact CG1-O 3.3Å; I646-E649 WeakPolarHBondContact CG1-O 3.35Å; I646-E649 PolarHBondContact N-O 2.93Å; I646-E649 CarbonylContact O-C 3.54Å; I646-E649 PolarHBondContact O-N 3.29Å
650	D	80.8	Confident	85.8	Confident	95 Å²	95	50.3 Å²	50.3	51%	0.508	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.7	-179.3	-159.3	-31.6	0	0	0	109.5	T652	D650-T652 WeakPolarHBondContact OD1-CB 3.2Å; D650-T652 WeakPolarHBondContact OD1-CG2 3.45Å; D650-T652 PolarHBondContact OD1-N 3.25Å; D650-T652 PolarHBondContact OD1-OG1 2.72Å
651	C	84.3	Confident	86	Confident	45 Å²	45	46.6 Å²	46.6	30%	0.304	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	62.1	-178.8	-75.8	0	0	0	0	107.9	G643 Y644	G643-C651 CarbonylContact C-O 3.56Å; G643-C651 WeakPolarHBondContact CA-O 3.3Å; Y644-C651 HydrophobicContact CD1-CB 3.7Å; Y644-C651 HydrophobicContact CE1-CB 3.32Å; Y644-C651 HydrophobicContact CE2-CB 4.4Å; Y644-C651 HydrophobicContact CG-CB 4.37Å; Y644-C651 PolarHBondContact N-O 2.88Å; Y644-C651 CarbonylContact O-C 3.54Å; Y644-C651 PolarHBondContact O-N 2.95Å; Y644-C651 PolarHBondContact OH-SG 2.84Å; Y644-C651 VanDerWaalsContact OH-SG 3.39Å
652	T	85.1	Confident	86.2	Confident	53 Å²	53	43.6 Å²	43.6	33%	0.325	22%	0.216	S	C	.	.			trans	-124.7	161.9	174.3	58.1	0	0	0	0	110.4	A645 D650 T656 K659	A645-T652 HydrophobicContact CB-CG2 4.39Å; D650-T652 WeakPolarHBondContact OD1-CB 3.2Å; D650-T652 WeakPolarHBondContact OD1-CG2 3.45Å; D650-T652 PolarHBondContact OD1-N 3.25Å; D650-T652 PolarHBondContact OD1-OG1 2.72Å; T652-T656 HydrophobicContact CG2-CG2 4.33Å; T652-K659 HydrophobicContact CG2-CD 4.1Å; T652-K659 HydrophobicContact CG2-CG 4.06Å
653	S	85	Confident	86	Confident	52 Å²	52	43.7 Å²	43.7	36%	0.364	22%	0.216	S	C	.	.			trans	-143.7	172.4	173.7	66.9	0	0	0	0	110.7	G639 K655 T656	G639-S653 WeakPolarHBondContact O-CB 3.42Å; G639-S653 PolarHBondContact O-OG 3.16Å; S653-K655 PolarHBondContact O-N 2.8Å; S653-K655 PolarHBondContact OG-N 3.23Å; S653-T656 PolarHBondContact N-OG1 2.88Å; S653-T656 VanDerWaalsContact O-CB 3.32Å; S653-T656 WeakPolarHBondContact O-CB 3.29Å; S653-T656 PolarHBondContact O-N 2.89Å; S653-T656 PolarHBondContact O-OG1 2.97Å
654	E	82.8	Confident	85.7	Confident	209 Å²	209	44.7 Å²	44.7	98%	0.977	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.6	173.8	-61.9	177.5	174.6	0	0	113.7
655	K	85.9	Confident	85.6	Confident	148 Å²	148	44.7 Å²	44.7	64%	0.643	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-5	174.6	-62.9	-175.6	179.4	-178.6	0	113.9	E640 S653 M657	E640-K655 CarbonylContact O-C 3.57Å; S653-K655 PolarHBondContact O-N 2.8Å; S653-K655 PolarHBondContact OG-N 3.23Å; K655-M657 PolarHBondContact O-N 3.07Å
656	T	87.5	Confident	85.6	Confident	6 Å²	6	44.7 Å²	44.7	4%	0.037	23%	0.228	C	C	.	.			trans	-72.6	116.7	-175.3	-62.4	0	0	0	0	111.1	M612 E640 T652 S653 I658 K659	M612-T656 WeakPolarHBondContact CG-O 3.24Å; E640-T656 WeakPolarHBondContact O-CA 3.37Å; E640-T656 WeakPolarHBondContact O-CB 3.45Å; E640-T656 PolarHBondContact O-N 2.91Å; E640-T656 PolarHBondContact O-OG1 2.76Å; T652-T656 HydrophobicContact CG2-CG2 4.33Å; S653-T656 PolarHBondContact N-OG1 2.88Å; S653-T656 VanDerWaalsContact O-CB 3.32Å; S653-T656 WeakPolarHBondContact O-CB 3.29Å; S653-T656 PolarHBondContact O-N 2.89Å; S653-T656 PolarHBondContact O-OG1 2.97Å; T656-I658 WeakPolarHBondContact CG2-O 3.33Å; T656-K659 HydrophobicContact CG2-CB 4.23Å
657	M	89.3	Confident	85.7	Confident	71 Å²	71	44.8 Å²	44.8	35%	0.35	23%	0.228	S	C	.	.	S	Bend	trans	-101	-29.8	179.5	-61.8	-61.3	-114	0	0	112	T608 V613 E641 K655	T608-M657 HydrophobicContact CG2-CB 4.04Å; T608-M657 WeakPolarHBondContact O-CE 3.07Å; V613-M657 PolarHBondContact N-O 2.85Å; E641-M657 PolarHBondContact O-N 2.92Å; K655-M657 PolarHBondContact O-N 3.07Å
658	I	92.4	Very high	85.8	Confident	3 Å²	3	44 Å²	44	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.5	175.9	-55.2	176.5	0	0	0	108.3	T599 H603 I634 E641 G643 T656 Y660	T599-I658 HydrophobicContact CG2-CG2 4.08Å; H603-I658 HydrophobicContact CB-CD1 3.96Å; H603-I658 HydrophobicContact CB-CG1 4.42Å; I634-I658 HydrophobicContact CD1-CD1 4.1Å; E641-I658 PolarHBondContact O-N 2.86Å; E641-I658 VanDerWaalsContact O-N 3.1Å; G643-I658 PolarHBondContact N-O 2.89Å; T656-I658 WeakPolarHBondContact CG2-O 3.33Å; I658-Y660 HydrophobicContact CG2-CD2 4.25Å; I658-Y660 HydrophobicContact CG2-CE2 3.6Å
659	K	92.8	Very high	86.7	Confident	17 Å²	17	44.7 Å²	44.7	7%	0.074	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	109.7	-176.8	179.5	172.3	164.4	-164.4	0	110.7	V613 C615 T652 T656 M661 E669 Y679	V613-K659 PolarHBondContact O-N 3.11Å; C615-K659 PolarHBondContact N-O 3.22Å; T652-K659 HydrophobicContact CG2-CD 4.1Å; T652-K659 HydrophobicContact CG2-CG 4.06Å; T656-K659 HydrophobicContact CG2-CB 4.23Å; K659-M661 HydrophobicContact CG-SD 4.48Å; K659-E669 IonicContact NZ-OE1 2.93Å; K659-E669 PolarHBondContact NZ-OE1 2.97Å; K659-E669 IonicContact NZ-OE2 3.18Å; K659-E669 PolarHBondContact NZ-OE2 3.36Å; K659-Y679 WeakPolarHBondContact CD-OH 3.32Å; K659-Y679 WeakPolarHBondContact CE-OH 3.48Å; K659-Y679 PolarHBondContact NZ-OH 3.44Å
660	Y	93.4	Very high	87.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.5	171.9	-67.1	-83.3	0	0	0	110.4	T599 C615 V626 A627 V630 V642 G643 Y644 A645 I658	T599-Y660 WeakPolarHBondContact CB-OH 3.43Å; T599-Y660 HydrophobicContact CG2-CE1 3.96Å; T599-Y660 WeakPolarHBondContact CG2-OH 3.48Å; T599-Y660 PolarHBondContact OG1-OH 2.94Å; C615-Y660 HydrophobicContact CB-CD1 3.65Å; C615-Y660 HydrophobicContact CB-CE1 3.72Å; C615-Y660 CarbonylContact O-C 3.56Å; C615-Y660 WeakPolarHBondContact O-CA 3.49Å; V626-Y660 HydrophobicContact CB-CD1 4.5Å; V626-Y660 HydrophobicContact CG1-CD1 3.68Å; V626-Y660 HydrophobicContact CG1-CE1 3.31Å; V626-Y660 HydrophobicContact CG1-CE2 4.4Å; V626-Y660 HydrophobicContact CG1-CG 4.38Å; A627-Y660 HydrophobicContact CB-CD2 3.56Å; A627-Y660 HydrophobicContact CB-CE2 4.37Å; A627-Y660 HydrophobicContact CB-CG 4.02Å; V630-Y660 HydrophobicContact CB-CE2 4.25Å; V630-Y660 HydrophobicContact CG1-CE2 4.37Å; V630-Y660 WeakPolarHBondContact CG2-OH 3.27Å; V642-Y660 HydrophobicContact CG1-CD2 4.05Å; V642-Y660 HydrophobicContact CG1-CE2 3.81Å; G643-Y660 PolarHBondContact O-N 3.1Å; Y644-Y660 CarbonylContact C-O 3.59Å; Y644-Y660 WeakPolarHBondContact CA-O 3.2Å; Y644-Y660 VanDerWaalsContact CB-O 3.3Å; Y644-Y660 WeakPolarHBondContact CB-O 3.48Å; A645-Y660 PolarHBondContact N-O 2.84Å; I658-Y660 HydrophobicContact CG2-CD2 4.25Å; I658-Y660 HydrophobicContact CG2-CE2 3.6Å
661	M	92.6	Very high	86.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	159.7	-175	56.3	-167.5	143.3	0	0	113	C615 T616 Q617 A645 K659 I665 L666 Y679	C615-M661 PolarHBondContact O-N 3.02Å; T616-M661 CarbonylContact C-O 3.06Å; T616-M661 VanDerWaalsContact CA-O 3.27Å; T616-M661 WeakPolarHBondContact CA-O 3.44Å; Q617-M661 PolarHBondContact N-O 3.15Å; A645-M661 HydrophobicContact CB-CB 4.42Å; A645-M661 WeakPolarHBondContact O-CA 3.46Å; A645-M661 WeakPolarHBondContact O-CB 3.24Å; K659-M661 HydrophobicContact CG-SD 4.48Å; M661-I665 HydrophobicContact CB-CB 4.43Å; M661-I665 HydrophobicContact CB-CG2 4.37Å; M661-L666 HydrophobicContact CE-CB 4.36Å; M661-L666 HydrophobicContact CE-CD1 4.05Å; M661-L666 HydrophobicContact CE-CD2 4.28Å; M661-L666 HydrophobicContact CE-CG 4.47Å; M661-L666 HydrophobicContact SD-CB 3.85Å; M661-L666 HydrophobicContact SD-CD1 4.25Å; M661-Y679 HydrophobicContact CE-CE1 3.76Å; M661-Y679 WeakPolarHBondContact CE-OH 3.19Å
662	T	91	Very high	86.7	Confident	15 Å²	15	44.2 Å²	44.2	9%	0.092	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.7	167	43.2	0	0	0	0	110.9	Q617 R620 A645 I646 G664 I665	Q617-T662 VanDerWaalsContact O-CA 3.31Å; Q617-T662 WeakPolarHBondContact O-CA 3.47Å; R620-T662 HydrophobicContact CG-CG2 3.92Å; A645-T662 PolarHBondContact O-N 3.19Å; I646-T662 HydrophobicContact CB-CG2 4.36Å; I646-T662 HydrophobicContact CG2-CG2 3.91Å; T662-G664 PolarHBondContact O-N 2.91Å; T662-G664 VanDerWaalsContact O-N 3.09Å; T662-I665 WeakPolarHBondContact O-CA 3.39Å; T662-I665 WeakPolarHBondContact O-CB 3.46Å; T662-I665 PolarHBondContact O-N 3.41Å; T662-I665 WeakPolarHBondContact OG1-CG1 3.23Å
663	D	88.4	Confident	86.5	Confident	2 Å²	2	45 Å²	45	1%	0.011	21%	0.214	C	C	.	.	H	α-helix	trans	-46.5	-44.2	-178.7	-59	3.8	0	0	0	113.1	T616 Q617 I665 L666 L667 N693 T694	T616-D663 WeakPolarHBondContact CB-OD1 3.46Å; T616-D663 PolarHBondContact OG1-OD1 3.5Å; Q617-D663 VanDerWaalsContact C-OD1 3.32Å; Q617-D663 PolarHBondContact N-OD1 2.81Å; D663-I665 PolarHBondContact O-N 3.42Å; D663-I665 VanDerWaalsContact O-N 3.13Å; D663-L666 PolarHBondContact O-N 2.84Å; D663-L667 WeakPolarHBondContact O-CB 3.26Å; D663-L667 PolarHBondContact O-N 2.99Å; D663-N693 HydrophobicContact CB-CB 3.82Å; D663-T694 WeakPolarHBondContact OD2-CB 3.45Å; D663-T694 PolarHBondContact OD2-OG1 3.47Å
664	G	85.3	Confident	86	Confident	21 Å²	21	45.6 Å²	45.6	22%	0.216	22%	0.218	C	C	.	.	H	α-helix	trans	-71	3.1	177.2	0	0	0	0	0	116.5	T662 R668	T662-G664 PolarHBondContact O-N 2.91Å; T662-G664 VanDerWaalsContact O-N 3.09Å; G664-R668 PolarHBondContact O-NH2 2.98Å
665	I	88.4	Confident	85.9	Confident	16 Å²	16	37.8 Å²	37.8	8%	0.082	18%	0.183	C	C	.	.	H	α-helix	trans	-95.1	-50.9	166	-68	-68.1	0	0	0	109.4	A645 M661 T662 D663 L667 R668 E669	A645-I665 HydrophobicContact CB-CG2 4.18Å; M661-I665 HydrophobicContact CB-CB 4.43Å; M661-I665 HydrophobicContact CB-CG2 4.37Å; T662-I665 WeakPolarHBondContact O-CA 3.39Å; T662-I665 WeakPolarHBondContact O-CB 3.46Å; T662-I665 PolarHBondContact O-N 3.41Å; T662-I665 WeakPolarHBondContact OG1-CG1 3.23Å; D663-I665 PolarHBondContact O-N 3.42Å; D663-I665 VanDerWaalsContact O-N 3.13Å; I665-L667 PolarHBondContact O-N 3.16Å; I665-R668 WeakPolarHBondContact O-CA 3.41Å; I665-R668 PolarHBondContact O-N 2.96Å; I665-E669 VanDerWaalsContact CG2-OE1 3.27Å; I665-E669 WeakPolarHBondContact CG2-OE1 3.45Å; I665-E669 PolarHBondContact O-N 3.27Å
666	L	89.3	Confident	85.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.3	-39.1	174.3	-175.1	57.8	0	0	0	111.4	T616 M661 D663 R668 E669 S670 L676 Y679 V682 L697	T616-L666 HydrophobicContact CG2-CB 4.37Å; T616-L666 HydrophobicContact CG2-CD2 3.59Å; M661-L666 HydrophobicContact CE-CB 4.36Å; M661-L666 HydrophobicContact CE-CD1 4.05Å; M661-L666 HydrophobicContact CE-CD2 4.28Å; M661-L666 HydrophobicContact CE-CG 4.47Å; M661-L666 HydrophobicContact SD-CB 3.85Å; M661-L666 HydrophobicContact SD-CD1 4.25Å; D663-L666 PolarHBondContact O-N 2.84Å; L666-R668 PolarHBondContact O-N 2.69Å; L666-E669 PolarHBondContact O-N 3.32Å; L666-S670 WeakPolarHBondContact O-CB 3.37Å; L666-S670 PolarHBondContact O-N 2.91Å; L666-L676 HydrophobicContact CD1-CD1 4.27Å; L666-L676 HydrophobicContact CD1-CD2 3.89Å; L666-Y679 HydrophobicContact CD1-CD2 4.35Å; L666-Y679 HydrophobicContact CD1-CE2 3.9Å; L666-V682 HydrophobicContact CD2-CG1 3.75Å; L666-V682 HydrophobicContact CD2-CG2 4.47Å; L666-L697 HydrophobicContact CD2-CD1 4.4Å; L666-L697 HydrophobicContact CD2-CD2 4.1Å; L666-L697 HydrophobicContact CG-CD1 4.38Å
667	L	86.5	Confident	85.8	Confident	8 Å²	8	35.9 Å²	35.9	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-27.3	175.3	-171.1	60.2	0	0	0	113.4	D663 I665 N693 V696 L697 L700 L934	D663-L667 WeakPolarHBondContact O-CB 3.26Å; D663-L667 PolarHBondContact O-N 2.99Å; I665-L667 PolarHBondContact O-N 3.16Å; L667-N693 HydrophobicContact CD2-CB 4.11Å; L667-V696 HydrophobicContact CD1-CG1 3.96Å; L667-V696 HydrophobicContact CD2-CB 4.43Å; L667-V696 HydrophobicContact CD2-CG1 4.33Å; L667-L697 HydrophobicContact CD1-CB 4.46Å; L667-L697 HydrophobicContact CD1-CD1 4.45Å; L667-L700 HydrophobicContact CD1-CD2 4.19Å; L667-L934 HydrophobicContact CD1-CD2 3.79Å; L667-L934 HydrophobicContact CD2-CD2 3.8Å; L667-L934 HydrophobicContact CG-CD2 3.73Å
668	R	80.4	Confident	85.6	Confident	71 Å²	71	37.6 Å²	37.6	27%	0.268	19%	0.187	S	C	.	.	H	α-helix	trans	-86.2	-36.3	174.4	-166.8	-173.3	-51.6	130.2	22.1	112.2	G664 I665 L666 S670 L671	G664-R668 PolarHBondContact O-NH2 2.98Å; I665-R668 WeakPolarHBondContact O-CA 3.41Å; I665-R668 PolarHBondContact O-N 2.96Å; L666-R668 PolarHBondContact O-N 2.69Å; R668-S670 PolarHBondContact O-N 3.39Å; R668-L671 HydrophobicContact CG-CD1 4.12Å; R668-L671 VanDerWaalsContact O-CB 3.31Å; R668-L671 WeakPolarHBondContact O-CB 3.49Å; R668-L671 PolarHBondContact O-N 3.43Å; R668-L671 VanDerWaalsContact O-N 3.08Å
669	E	84.8	Confident	85.5	Confident	42 Å²	42	37.6 Å²	37.6	20%	0.196	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-39.2	172.3	-69.9	173.2	-162.6	0	0	109.9	K659 I665 L666 L671 R672 E673 Y679	K659-E669 IonicContact NZ-OE1 2.93Å; K659-E669 PolarHBondContact NZ-OE1 2.97Å; K659-E669 IonicContact NZ-OE2 3.18Å; K659-E669 PolarHBondContact NZ-OE2 3.36Å; I665-E669 VanDerWaalsContact CG2-OE1 3.27Å; I665-E669 WeakPolarHBondContact CG2-OE1 3.45Å; I665-E669 PolarHBondContact O-N 3.27Å; L666-E669 PolarHBondContact O-N 3.32Å; E669-L671 PolarHBondContact O-N 3.2Å; E669-L671 VanDerWaalsContact O-N 3.16Å; E669-R672 PolarHBondContact O-N 2.92Å; E669-E673 PolarHBondContact O-N 2.97Å; E669-Y679 PolarHBondContact OE2-OH 2.83Å
670	S	83.6	Confident	85.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.7	-10.2	173.7	-158.7	0	0	0	0	115.7	L666 R668 E673 L700	L666-S670 WeakPolarHBondContact O-CB 3.37Å; L666-S670 PolarHBondContact O-N 2.91Å; R668-S670 PolarHBondContact O-N 3.39Å; S670-E673 WeakPolarHBondContact CA-O 3.36Å; S670-L700 VanDerWaalsContact OG-CD2 3.31Å; S670-L700 WeakPolarHBondContact OG-CD2 3.48Å
671	L	77	Confident	85.3	Confident	45 Å²	45	37.3 Å²	37.3	24%	0.236	19%	0.186	C	C	.	.	H	α-helix	trans	-80.4	-36.7	168.4	-64.8	173	0	0	0	111.8	R668 E669 L934 S937 L938 V984	R668-L671 HydrophobicContact CG-CD1 4.12Å; R668-L671 VanDerWaalsContact O-CB 3.31Å; R668-L671 WeakPolarHBondContact O-CB 3.49Å; R668-L671 PolarHBondContact O-N 3.43Å; R668-L671 VanDerWaalsContact O-N 3.08Å; E669-L671 PolarHBondContact O-N 3.2Å; E669-L671 VanDerWaalsContact O-N 3.16Å; L671-L934 HydrophobicContact CD1-CD1 3.65Å; L671-L934 HydrophobicContact CD2-CD1 3.59Å; L671-L934 HydrophobicContact CD2-CG 3.93Å; L671-L934 HydrophobicContact CG-CD1 3.92Å; L671-S937 WeakPolarHBondContact CD2-OG 3.16Å; L671-L938 HydrophobicContact CD2-CD1 4.3Å; L671-L938 HydrophobicContact CD2-CD2 3.91Å; L671-L938 HydrophobicContact CD2-CG 3.87Å; L671-V984 HydrophobicContact CD1-CG1 3.8Å; L671-V984 HydrophobicContact CD2-CG1 4.4Å
672	R	78.4	Confident	85.4	Confident	149 Å²	149	37.3 Å²	37.3	56%	0.562	19%	0.187	S	C	*	.	H	α-helix	trans	-78.3	-35.7	179.8	-64.5	177.2	171.5	-179.6	-5.9	110.7	E669	E669-R672 PolarHBondContact O-N 2.92Å
673	E	80.9	Confident	85.5	Confident	70 Å²	70	36.8 Å²	36.8	33%	0.327	18%	0.183	S	C	.	.			trans	-131.8	97.9	-176.6	-66.9	173.9	-161.3	0	0	109.6	E669 S670 D675 L676 H678	E669-E673 PolarHBondContact O-N 2.97Å; S670-E673 WeakPolarHBondContact CA-O 3.36Å; E673-D675 PolarHBondContact O-N 3.42Å; E673-D675 VanDerWaalsContact O-N 3.08Å; E673-L676 PolarHBondContact O-N 3.03Å; E673-H678 VanDerWaalsContact CD-ND1 3.26Å; E673-H678 IonicContact OE1-CE1 3.86Å; E673-H678 PolarHBondContact OE1-CE1 2.95Å; E673-H678 IonicContact OE1-ND1 3.5Å; E673-H678 PolarHBondContact OE1-ND1 3.49Å; E673-H678 VanDerWaalsContact OE1-ND1 3.09Å; E673-H678 IonicContact OE2-CE1 2.69Å; E673-H678 IonicContact OE2-CG 3.93Å; E673-H678 IonicContact OE2-ND1 3Å; E673-H678 PolarHBondContact OE2-ND1 2.79Å
674	S	76.2	Confident	85.6	Confident	65 Å²	65	36.7 Å²	36.7	46%	0.455	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.4	-174.6	48.9	0	0	0	0	115.2	V704 R707	S674-V704 WeakPolarHBondContact O-CG2 3.29Å; S674-R707 PolarHBondContact O-NH2 2.79Å
675	D	80.3	Confident	85.8	Confident	44 Å²	44	35.8 Å²	35.8	24%	0.235	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	3.9	-170.4	-61.7	-82.6	0	0	0	113.3	E673 D677 R707 R708	E673-D675 PolarHBondContact O-N 3.42Å; E673-D675 VanDerWaalsContact O-N 3.08Å; D675-D677 VanDerWaalsContact C-N 3.32Å; D675-D677 PolarHBondContact O-N 3.47Å; D675-R707 IonicContact OD1-CZ 3.08Å; D675-R707 IonicContact OD1-NE 3.46Å; D675-R707 PolarHBondContact OD1-NE 3.25Å; D675-R707 IonicContact OD1-NH2 2.71Å; D675-R707 PolarHBondContact OD1-NH2 3.01Å; D675-R707 IonicContact OD2-NH2 2.69Å; D675-R708 PolarHBondContact O-NH1 2.83Å
676	L	84.9	Confident	85.6	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.172	C	C	.	.			trans	52.7	42	171.8	-64.3	172.4	0	0	0	114.1	L666 E673 H678 Y679 L701 R708	L666-L676 HydrophobicContact CD1-CD1 4.27Å; L666-L676 HydrophobicContact CD1-CD2 3.89Å; E673-L676 PolarHBondContact O-N 3.03Å; L676-H678 PolarHBondContact O-N 3.04Å; L676-H678 VanDerWaalsContact O-N 3.09Å; L676-Y679 HydrophobicContact CB-CD2 4.27Å; L676-Y679 HydrophobicContact CD2-CD2 4.36Å; L676-Y679 PolarHBondContact O-N 3.46Å; L676-L701 HydrophobicContact CD1-CD2 3.56Å; L676-R708 VanDerWaalsContact C-NH1 3.27Å; L676-R708 PolarHBondContact O-NH1 3.12Å
677	D	85.1	Confident	85.4	Confident	114 Å²	114	35.8 Å²	35.8	61%	0.61	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.5	-173.1	-69.6	-8.7	0	0	0	113.8	D675 Y679	D675-D677 VanDerWaalsContact C-N 3.32Å; D675-D677 PolarHBondContact O-N 3.47Å; D677-Y679 PolarHBondContact O-N 2.87Å; D677-Y679 VanDerWaalsContact O-N 3.14Å
678	H	86.1	Confident	85.1	Confident	107 Å²	107	36.3 Å²	36.3	50%	0.495	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.2	177.2	-71.3	102.8	0	0	0	115	M612 E673 L676	M612-H678 HydrophobicContact CE-CB 3.85Å; M612-H678 PolarHBondContact N-O 2.94Å; E673-H678 VanDerWaalsContact CD-ND1 3.26Å; E673-H678 IonicContact OE1-CE1 3.86Å; E673-H678 PolarHBondContact OE1-CE1 2.95Å; E673-H678 IonicContact OE1-ND1 3.5Å; E673-H678 PolarHBondContact OE1-ND1 3.49Å; E673-H678 VanDerWaalsContact OE1-ND1 3.09Å; E673-H678 IonicContact OE2-CE1 2.69Å; E673-H678 IonicContact OE2-CG 3.93Å; E673-H678 IonicContact OE2-ND1 3Å; E673-H678 PolarHBondContact OE2-ND1 2.79Å; L676-H678 PolarHBondContact O-N 3.04Å; L676-H678 VanDerWaalsContact O-N 3.09Å
679	Y	90.4	Very high	84.8	Confident	3 Å²	3	35 Å²	35	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.5	-178.2	-65.6	-76.5	0	0	0	112.4	M612 K659 M661 L666 E669 L676 D677 V682 R708	M612-Y679 HydrophobicContact CB-CD1 3.91Å; M612-Y679 HydrophobicContact CB-CE1 4Å; M612-Y679 HydrophobicContact CE-CE1 4.45Å; M612-Y679 WeakPolarHBondContact O-CA 3.37Å; K659-Y679 WeakPolarHBondContact CD-OH 3.32Å; K659-Y679 WeakPolarHBondContact CE-OH 3.48Å; K659-Y679 PolarHBondContact NZ-OH 3.44Å; M661-Y679 HydrophobicContact CE-CE1 3.76Å; M661-Y679 WeakPolarHBondContact CE-OH 3.19Å; L666-Y679 HydrophobicContact CD1-CD2 4.35Å; L666-Y679 HydrophobicContact CD1-CE2 3.9Å; E669-Y679 PolarHBondContact OE2-OH 2.83Å; L676-Y679 HydrophobicContact CB-CD2 4.27Å; L676-Y679 HydrophobicContact CD2-CD2 4.36Å; L676-Y679 PolarHBondContact O-N 3.46Å; D677-Y679 PolarHBondContact O-N 2.87Å; D677-Y679 VanDerWaalsContact O-N 3.14Å; Y679-V682 HydrophobicContact CG-CG2 4.48Å; Y679-R708 PolarHBondContact O-NH1 3.16Å; Y679-R708 PolarHBondContact O-NH2 2.85Å
680	S	90.8	Very high	84.6	Confident	10 Å²	10	33.9 Å²	33.9	7%	0.07	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-32.7	172.5	61.7	0	0	0	0	112.4	Y607 G611 M612 K712	Y607-S680 WeakPolarHBondContact O-CB 3.22Å; Y607-S680 PolarHBondContact O-OG 3.15Å; G611-S680 PolarHBondContact O-OG 2.96Å; G611-S680 VanDerWaalsContact O-OG 3.12Å; M612-S680 PolarHBondContact O-N 2.73Å; M612-S680 PolarHBondContact O-OG 3.43Å; S680-K712 PolarHBondContact O-N 2.93Å; S680-K712 VanDerWaalsContact O-N 3.11Å
681	A	91.7	Very high	84.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	139	172.1	0	0	0	0	0	111.5	L602 V613 G614 K712	L602-A681 HydrophobicContact CD1-CB 4Å; V613-A681 HydrophobicContact CG2-CB 4.41Å; G614-A681 PolarHBondContact N-O 2.93Å; A681-K712 CarbonylContact C-O 3.59Å; A681-K712 VanDerWaalsContact CA-O 3.3Å; A681-K712 WeakPolarHBondContact CA-O 3.49Å; A681-K712 HydrophobicContact CB-CB 4.07Å
682	V	93.1	Very high	85	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119	175.1	175.3	0	0	0	0	108.8	G614 T616 L666 Y679 M684 L701 L711 K712 L713 I714	G614-V682 WeakPolarHBondContact O-CA 3.26Å; T616-V682 HydrophobicContact CG2-CG1 4.49Å; L666-V682 HydrophobicContact CD2-CG1 3.75Å; L666-V682 HydrophobicContact CD2-CG2 4.47Å; Y679-V682 HydrophobicContact CG-CG2 4.48Å; V682-M684 HydrophobicContact CG1-CG 4.29Å; V682-L701 HydrophobicContact CG1-CD1 4.15Å; V682-L711 HydrophobicContact CG2-CD1 4.28Å; V682-K712 PolarHBondContact N-O 2.98Å; V682-L713 HydrophobicContact CB-CD1 4.46Å; V682-L713 HydrophobicContact CG1-CD1 4.34Å; V682-L713 WeakPolarHBondContact O-CA 3.28Å; V682-I714 PolarHBondContact O-N 3.47Å
683	I	93.3	Very high	85.5	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.1	169.6	-60.9	159	0	0	0	107.8	L598 T599 L602 V613 G614 C615 T616 D685 I714	L598-I683 HydrophobicContact CB-CD1 4.34Å; L598-I683 HydrophobicContact CD2-CD1 3.8Å; L598-I683 HydrophobicContact CD2-CG1 3.89Å; L598-I683 HydrophobicContact CD2-CG2 3.93Å; L598-I683 HydrophobicContact CG-CD1 3.75Å; L598-I683 HydrophobicContact CG-CG1 4.29Å; T599-I683 HydrophobicContact CG2-CD1 3.54Å; L602-I683 HydrophobicContact CD1-CD1 3.86Å; L602-I683 HydrophobicContact CD1-CG1 4.19Å; V613-I683 HydrophobicContact CG1-CD1 4.3Å; G614-I683 PolarHBondContact O-N 2.85Å; C615-I683 WeakPolarHBondContact CA-O 3.38Å; C615-I683 HydrophobicContact CB-CB 4.34Å; T616-I683 PolarHBondContact N-O 3.3Å; I683-D685 HydrophobicContact CG2-CB 4.26Å; I683-I714 CarbonylContact C-O 3.56Å; I683-I714 VanDerWaalsContact CA-O 3.32Å; I683-I714 WeakPolarHBondContact CA-O 3.35Å; I683-I714 HydrophobicContact CG1-CB 4.3Å; I683-I714 HydrophobicContact CG1-CD1 4.33Å
684	M	91.2	Very high	85.8	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	104.3	168.8	-67.5	-174.9	68.2	0	0	108.6	V682 T694 L697 F698 L701 L713 I714 T716	V682-M684 HydrophobicContact CG1-CG 4.29Å; M684-T694 HydrophobicContact CE-CG2 3.55Å; M684-L697 HydrophobicContact CE-CB 4.08Å; M684-L697 HydrophobicContact CE-CD2 3.75Å; M684-L697 HydrophobicContact CE-CG 3.89Å; M684-L697 HydrophobicContact SD-CD2 4.23Å; M684-L697 HydrophobicContact SD-CG 4.18Å; M684-F698 HydrophobicContact CB-CE1 4.3Å; M684-F698 HydrophobicContact CE-CD1 3.4Å; M684-F698 VanDerWaalsContact CE-CD1 3.4Å; M684-F698 HydrophobicContact CE-CE1 3.27Å; M684-F698 HydrophobicContact CE-CE2 4.5Å; M684-F698 HydrophobicContact CE-CG 4.11Å; M684-F698 HydrophobicContact CE-CZ 3.85Å; M684-F698 HydrophobicContact SD-CD1 3.51Å; M684-F698 VanDerWaalsContact SD-CD1 3.51Å; M684-F698 HydrophobicContact SD-CE1 3.49Å; M684-F698 WeakPolarHBondContact SD-CE1 3.4Å; M684-L701 HydrophobicContact CG-CD1 4.37Å; M684-L701 HydrophobicContact SD-CD1 3.58Å; M684-L701 VanDerWaalsContact SD-CD1 3.58Å; M684-L713 HydrophobicContact CG-CD1 4.18Å; M684-L713 HydrophobicContact SD-CD1 4.12Å; M684-I714 PolarHBondContact N-O 3.22Å; M684-T716 PolarHBondContact O-N 2.87Å; M684-T716 PolarHBondContact O-OG1 3.42Å
685	D	89.4	Confident	86.3	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.011	12%	0.12	C	C	.	.			trans	-105.2	153.5	-172.4	-169.8	39	0	0	0	113.7	T595 T616 Q617 P618 I683 A687 T716	T595-D685 VanDerWaalsContact CB-OD2 3.28Å; T595-D685 WeakPolarHBondContact CB-OD2 3.5Å; T595-D685 WeakPolarHBondContact CG2-OD2 3.28Å; T595-D685 PolarHBondContact OG1-OD2 2.69Å; T616-D685 PolarHBondContact O-N 2.9Å; Q617-D685 PolarHBondContact NE2-OD2 3.39Å; P618-D685 WeakPolarHBondContact CD-O 3.39Å; I683-D685 HydrophobicContact CG2-CB 4.26Å; D685-A687 PolarHBondContact O-N 3.42Å; D685-T716 WeakPolarHBondContact CA-OG1 3.43Å; D685-T716 WeakPolarHBondContact CB-OG1 3.15Å; D685-T716 VanDerWaalsContact CG-OG1 3.23Å; D685-T716 WeakPolarHBondContact OD1-CB 3.46Å; D685-T716 PolarHBondContact OD1-OG1 2.7Å
686	E	85.3	Confident	86.6	Confident	15 Å²	15	21.5 Å²	21.5	7%	0.07	11%	0.109	C	C	.	.	S	Bend	trans	48.4	38.2	-166.8	-56.4	-69.7	-133	0	0	113.1	K594 P618 H688 E689 T716	K594-E686 IonicContact NZ-OE2 3.18Å; P618-E686 HydrophobicContact CG-CB 4.31Å; E686-H688 PolarHBondContact O-N 2.86Å; E686-H688 IonicContact OE1-CE1 3.75Å; E686-H688 IonicContact OE2-CE1 2.76Å; E686-H688 PolarHBondContact OE2-CE1 2.9Å; E686-H688 VanDerWaalsContact OE2-CE1 3.24Å; E686-H688 IonicContact OE2-ND1 2.77Å; E686-H688 PolarHBondContact OE2-ND1 3.27Å; E686-E689 HydrophobicContact CB-CG 4.41Å; E686-E689 PolarHBondContact O-N 2.83Å; E686-T716 PolarHBondContact N-O 3.09Å
687	A	83.1	Confident	86.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-46.4	-24.8	174.5	0	0	0	0	0	114.8	D685 E689 R690 F698 V715 T716 F725	D685-A687 PolarHBondContact O-N 3.42Å; A687-E689 PolarHBondContact O-N 3.49Å; A687-R690 WeakPolarHBondContact O-CD 3.48Å; A687-R690 PolarHBondContact O-N 2.93Å; A687-F698 HydrophobicContact CB-CZ 3.82Å; A687-V715 HydrophobicContact CB-CG1 3.55Å; A687-T716 PolarHBondContact N-O 2.84Å; A687-F725 HydrophobicContact CB-CE1 4.18Å; A687-F725 HydrophobicContact CB-CZ 4.33Å
688	H	80.3	Confident	86.9	Confident	20 Å²	20	16 Å²	16	9%	0.093	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-67.7	-16.3	176.8	78.8	-92.6	0	0	0	114.4	E686 R690 T719 T845 Q887	E686-H688 PolarHBondContact O-N 2.86Å; E686-H688 IonicContact OE1-CE1 3.75Å; E686-H688 IonicContact OE2-CE1 2.76Å; E686-H688 PolarHBondContact OE2-CE1 2.9Å; E686-H688 VanDerWaalsContact OE2-CE1 3.24Å; E686-H688 IonicContact OE2-ND1 2.77Å; E686-H688 PolarHBondContact OE2-ND1 3.27Å; H688-R690 PolarHBondContact O-N 2.93Å; H688-T719 HydrophobicContact CB-CG2 3.79Å; H688-T719 VanDerWaalsContact CB-OG1 3.29Å; H688-T719 WeakPolarHBondContact CB-OG1 3.46Å; H688-T845 WeakPolarHBondContact NE2-CG2 3.48Å; H688-Q887 PolarHBondContact CD2-NE2 2.85Å; H688-Q887 PolarHBondContact NE2-NE2 2.85Å
689	E	73.9	Confident	86.9	Confident	42 Å²	42	10.9 Å²	10.9	20%	0.196	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-72.7	-17.3	175.2	-65.6	-164.1	-161.5	0	0	112.5	P618 R619 E686 A687 S691	P618-E689 HydrophobicContact CG-CB 4.28Å; P618-E689 HydrophobicContact CG-CG 4.34Å; R619-E689 VanDerWaalsContact CZ-CD 3.42Å; R619-E689 IonicContact CZ-OE1 3.71Å; R619-E689 IonicContact CZ-OE2 2.96Å; R619-E689 IonicContact NE-OE1 3.59Å; R619-E689 PolarHBondContact NE-OE1 3.44Å; R619-E689 IonicContact NE-OE2 2.68Å; R619-E689 PolarHBondContact NE-OE2 3.38Å; R619-E689 IonicContact NH1-OE1 2.74Å; R619-E689 IonicContact NH2-OE1 2.61Å; R619-E689 PolarHBondContact NH2-OE1 3.03Å; R619-E689 IonicContact NH2-OE2 2.66Å; R619-E689 PolarHBondContact NH2-OE2 3.39Å; E686-E689 HydrophobicContact CB-CG 4.41Å; E686-E689 PolarHBondContact O-N 2.83Å; A687-E689 PolarHBondContact O-N 3.49Å; E689-S691 VanDerWaalsContact C-N 3.32Å; E689-S691 PolarHBondContact O-N 3.07Å
690	R	82.6	Confident	86.7	Confident	20 Å²	20	11.2 Å²	11.2	8%	0.075	6%	0.058	C	C	.	.			trans	47.1	50.6	172.3	-63.8	-63.3	-55.3	-77	-12.1	113.3	A687 H688 D695 P921 E922 M949 D950	A687-R690 WeakPolarHBondContact O-CD 3.48Å; A687-R690 PolarHBondContact O-N 2.93Å; H688-R690 PolarHBondContact O-N 2.93Å; R690-D695 IonicContact CZ-OD1 3.74Å; R690-D695 IonicContact CZ-OD2 2.83Å; R690-D695 IonicContact NE-OD1 3.26Å; R690-D695 PolarHBondContact NE-OD1 3.3Å; R690-D695 IonicContact NE-OD2 2.7Å; R690-D695 PolarHBondContact NE-OD2 3.2Å; R690-D695 IonicContact NH2-OD1 3.47Å; R690-D695 IonicContact NH2-OD2 2.86Å; R690-D695 PolarHBondContact NH2-OD2 2.98Å; R690-P921 HydrophobicContact CB-CB 4.18Å; R690-P921 HydrophobicContact CB-CG 4.45Å; R690-E922 PolarHBondContact O-N 3.47Å; R690-E922 VanDerWaalsContact O-N 3.1Å; R690-M949 PolarHBondContact NH1-SD 2.7Å; R690-D950 IonicContact CZ-OD2 2.74Å; R690-D950 IonicContact NH1-OD2 3.54Å; R690-D950 PolarHBondContact NH1-OD2 3.27Å; R690-D950 IonicContact NH2-OD2 2.78Å; R690-D950 PolarHBondContact NH2-OD2 2.91Å
691	S	83.8	Confident	86.6	Confident	13 Å²	13	10.8 Å²	10.8	9%	0.091	5%	0.054	C	C	.	.			trans	-73.5	158.3	179.6	93.2	0	0	0	0	111.7	E689 N693 T694 D695 E922	E689-S691 VanDerWaalsContact C-N 3.32Å; E689-S691 PolarHBondContact O-N 3.07Å; S691-N693 PolarHBondContact O-N 3.46Å; S691-T694 WeakPolarHBondContact CB-OG1 3.32Å; S691-T694 PolarHBondContact O-N 3.04Å; S691-T694 PolarHBondContact OG-N 3.29Å; S691-T694 PolarHBondContact OG-OG1 3.44Å; S691-D695 PolarHBondContact O-N 3.02Å; S691-D695 VanDerWaalsContact O-N 3.11Å; S691-E922 WeakPolarHBondContact CA-OE2 3.24Å; S691-E922 WeakPolarHBondContact CB-OE2 3.37Å
692	L	84.9	Confident	86.3	Confident	31 Å²	31	14.7 Å²	14.7	16%	0.162	7%	0.069	C	C	.	.	H	α-helix	trans	-52.6	-40.8	-179.7	-178.4	65.7	0	0	0	112.9	V696 E922 I923 L928 V931	L692-V696 VanDerWaalsContact O-CG2 3.32Å; L692-V696 WeakPolarHBondContact O-CG2 3.37Å; L692-E922 HydrophobicContact CB-CB 4.35Å; L692-E922 PolarHBondContact N-OE2 3.42Å; L692-I923 HydrophobicContact CD1-CB 4.05Å; L692-I923 HydrophobicContact CD1-CG1 3.91Å; L692-L928 HydrophobicContact CD1-CD2 3.59Å; L692-V931 HydrophobicContact CD1-CG2 3.95Å; L692-V931 HydrophobicContact CD2-CG2 4.01Å; L692-V931 HydrophobicContact CG-CG2 3.87Å
693	N	87.3	Confident	85.9	Confident	62 Å²	62	17.8 Å²	17.8	33%	0.332	8%	0.084	S	C	.	.	H	α-helix	trans	-76	-35.6	-179.6	-60.1	-72.2	0	0	0	111.9	D663 L667 S691 L697	D663-N693 HydrophobicContact CB-CB 3.82Å; L667-N693 HydrophobicContact CD2-CB 4.11Å; S691-N693 PolarHBondContact O-N 3.46Å; N693-L697 WeakPolarHBondContact O-CB 3.43Å; N693-L697 PolarHBondContact O-N 2.92Å
694	T	88.2	Confident	85.6	Confident	4 Å²	4	17.6 Å²	17.6	3%	0.025	8%	0.083	C	C	.	.	H	α-helix	trans	-63.3	-44.2	-179.5	-36.2	0	0	0	0	110.7	D663 M684 S691 L697 F698	D663-T694 WeakPolarHBondContact OD2-CB 3.45Å; D663-T694 PolarHBondContact OD2-OG1 3.47Å; M684-T694 HydrophobicContact CE-CG2 3.55Å; S691-T694 WeakPolarHBondContact CB-OG1 3.32Å; S691-T694 PolarHBondContact O-N 3.04Å; S691-T694 PolarHBondContact OG-N 3.29Å; S691-T694 PolarHBondContact OG-OG1 3.44Å; T694-L697 PolarHBondContact O-N 3.18Å; T694-F698 HydrophobicContact CG2-CD2 4.44Å; T694-F698 HydrophobicContact CG2-CE1 4.43Å; T694-F698 HydrophobicContact CG2-CE2 3.74Å; T694-F698 HydrophobicContact CG2-CZ 3.73Å; T694-F698 WeakPolarHBondContact O-CD2 3.45Å; T694-F698 WeakPolarHBondContact O-CG 3.21Å; T694-F698 PolarHBondContact O-N 3.17Å
695	D	87.1	Confident	85.4	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.011	9%	0.087	C	C	.	.	H	α-helix	trans	-68.7	-38.4	-177.7	-77.9	14.4	0	0	0	113	R690 S691 G699 I923	R690-D695 IonicContact CZ-OD1 3.74Å; R690-D695 IonicContact CZ-OD2 2.83Å; R690-D695 IonicContact NE-OD1 3.26Å; R690-D695 PolarHBondContact NE-OD1 3.3Å; R690-D695 IonicContact NE-OD2 2.7Å; R690-D695 PolarHBondContact NE-OD2 3.2Å; R690-D695 IonicContact NH2-OD1 3.47Å; R690-D695 IonicContact NH2-OD2 2.86Å; R690-D695 PolarHBondContact NH2-OD2 2.98Å; S691-D695 PolarHBondContact O-N 3.02Å; S691-D695 VanDerWaalsContact O-N 3.11Å; D695-G699 PolarHBondContact O-N 3.45Å; D695-I923 HydrophobicContact CB-CD1 4.42Å
696	V	86	Confident	85.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.4	-42.1	173.6	178.1	0	0	0	0	110.6	L667 L692 F698 G699 L700 V931 L934 L935	L667-V696 HydrophobicContact CD1-CG1 3.96Å; L667-V696 HydrophobicContact CD2-CB 4.43Å; L667-V696 HydrophobicContact CD2-CG1 4.33Å; L692-V696 VanDerWaalsContact O-CG2 3.32Å; L692-V696 WeakPolarHBondContact O-CG2 3.37Å; V696-F698 VanDerWaalsContact C-N 3.34Å; V696-F698 PolarHBondContact O-N 2.91Å; V696-G699 PolarHBondContact O-N 3.49Å; V696-L700 PolarHBondContact O-N 3.19Å; V696-V931 HydrophobicContact CG2-CB 4.38Å; V696-V931 HydrophobicContact CG2-CG1 3.44Å; V696-V931 VanDerWaalsContact CG2-CG1 3.44Å; V696-V931 HydrophobicContact CG2-CG2 3.99Å; V696-L934 HydrophobicContact CG1-CD2 3.95Å; V696-L935 HydrophobicContact CG1-CD2 4.13Å
697	L	88	Confident	85.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-33	178.4	-176	62	0	0	0	112.2	T616 L666 L667 M684 N693 T694 L700 L701	T616-L697 HydrophobicContact CG2-CD2 4.4Å; L666-L697 HydrophobicContact CD2-CD1 4.4Å; L666-L697 HydrophobicContact CD2-CD2 4.1Å; L666-L697 HydrophobicContact CG-CD1 4.38Å; L667-L697 HydrophobicContact CD1-CB 4.46Å; L667-L697 HydrophobicContact CD1-CD1 4.45Å; M684-L697 HydrophobicContact CE-CB 4.08Å; M684-L697 HydrophobicContact CE-CD2 3.75Å; M684-L697 HydrophobicContact CE-CG 3.89Å; M684-L697 HydrophobicContact SD-CD2 4.23Å; M684-L697 HydrophobicContact SD-CG 4.18Å; N693-L697 WeakPolarHBondContact O-CB 3.43Å; N693-L697 PolarHBondContact O-N 2.92Å; T694-L697 PolarHBondContact O-N 3.18Å; L697-L700 PolarHBondContact O-N 3.46Å; L697-L701 HydrophobicContact CD1-CD1 3.77Å; L697-L701 HydrophobicContact CD1-CD2 4.43Å; L697-L701 HydrophobicContact CD1-CG 3.79Å; L697-L701 HydrophobicContact CD2-CD1 4.37Å; L697-L701 HydrophobicContact CG-CD1 3.71Å; L697-L701 HydrophobicContact CG-CG 4.15Å; L697-L701 VanDerWaalsContact O-CB 3.3Å; L697-L701 WeakPolarHBondContact O-CB 3.27Å; L697-L701 WeakPolarHBondContact O-CG 3.45Å; L697-L701 PolarHBondContact O-N 3.02Å
698	F	88.5	Confident	85.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-43.7	171.9	-72.4	-41.5	0	0	0	112.9	M684 A687 T694 V696 R702 V715 F725 F728 F729 M949	M684-F698 HydrophobicContact CB-CE1 4.3Å; M684-F698 HydrophobicContact CE-CD1 3.4Å; M684-F698 VanDerWaalsContact CE-CD1 3.4Å; M684-F698 HydrophobicContact CE-CE1 3.27Å; M684-F698 HydrophobicContact CE-CE2 4.5Å; M684-F698 HydrophobicContact CE-CG 4.11Å; M684-F698 HydrophobicContact CE-CZ 3.85Å; M684-F698 HydrophobicContact SD-CD1 3.51Å; M684-F698 VanDerWaalsContact SD-CD1 3.51Å; M684-F698 HydrophobicContact SD-CE1 3.49Å; M684-F698 WeakPolarHBondContact SD-CE1 3.4Å; A687-F698 HydrophobicContact CB-CZ 3.82Å; T694-F698 HydrophobicContact CG2-CD2 4.44Å; T694-F698 HydrophobicContact CG2-CE1 4.43Å; T694-F698 HydrophobicContact CG2-CE2 3.74Å; T694-F698 HydrophobicContact CG2-CZ 3.73Å; T694-F698 WeakPolarHBondContact O-CD2 3.45Å; T694-F698 WeakPolarHBondContact O-CG 3.21Å; T694-F698 PolarHBondContact O-N 3.17Å; V696-F698 VanDerWaalsContact C-N 3.34Å; V696-F698 PolarHBondContact O-N 2.91Å; F698-R702 VanDerWaalsContact O-CB 3.28Å; F698-R702 WeakPolarHBondContact O-CB 3.37Å; F698-R702 PolarHBondContact O-N 2.74Å; F698-V715 HydrophobicContact CE1-CG1 3.96Å; F698-V715 HydrophobicContact CE1-CG2 4.1Å; F698-V715 HydrophobicContact CZ-CG1 4.12Å; F698-F725 AromaticContact CE2-CE1 3.88Å; F698-F725 HydrophobicContact CE2-CE1 3.88Å; F698-F725 HydrophobicContact CZ-CD1 4.45Å; F698-F725 AromaticContact CZ-CE1 3.91Å; F698-F725 HydrophobicContact CZ-CE1 3.91Å; F698-F728 HydrophobicContact CB-CE1 4.02Å; F698-F728 HydrophobicContact CB-CZ 4.49Å; F698-F729 HydrophobicContact CB-CZ 4.24Å; F698-F729 HydrophobicContact CD1-CE2 4.26Å; F698-F729 AromaticContact CD1-CZ 3.71Å; F698-F729 HydrophobicContact CD1-CZ 3.71Å; F698-F729 HydrophobicContact CE1-CZ 4.41Å; F698-F729 HydrophobicContact CG-CZ 4.22Å; F698-M949 HydrophobicContact CD2-CE 3.85Å; F698-M949 HydrophobicContact CE2-CE 4.19Å; F698-M949 HydrophobicContact CG-CE 4.34Å
699	G	85.8	Confident	85.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-46.4	175.8	0	0	0	0	0	111.7	D695 V696 R702 E703	D695-G699 PolarHBondContact O-N 3.45Å; V696-G699 PolarHBondContact O-N 3.49Å; G699-R702 PolarHBondContact O-N 2.81Å; G699-E703 PolarHBondContact O-N 2.78Å
700	L	86.3	Confident	85.9	Confident	9 Å²	9	37 Å²	37	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-47	-179.8	-174.8	54.8	0	0	0	112.6	L667 S670 V696 L697 R702 E703 V704 L938	L667-L700 HydrophobicContact CD1-CD2 4.19Å; S670-L700 VanDerWaalsContact OG-CD2 3.31Å; S670-L700 WeakPolarHBondContact OG-CD2 3.48Å; V696-L700 PolarHBondContact O-N 3.19Å; L697-L700 PolarHBondContact O-N 3.46Å; L700-R702 VanDerWaalsContact C-N 3.3Å; L700-R702 PolarHBondContact O-N 2.82Å; L700-E703 WeakPolarHBondContact O-CB 3.02Å; L700-E703 PolarHBondContact O-N 2.83Å; L700-E703 VanDerWaalsContact O-N 3.11Å; L700-V704 WeakPolarHBondContact O-CG2 3.32Å; L700-V704 PolarHBondContact O-N 2.86Å; L700-L938 HydrophobicContact CD1-CD1 4.15Å; L700-L938 HydrophobicContact CD2-CD1 3.76Å; L700-L938 HydrophobicContact CD2-CD2 4.47Å
701	L	88.3	Confident	86.3	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-68.6	-27.7	178.7	-70.4	175.2	0	0	0	112.9	L676 V682 M684 L697 E703 V704 V705 L713	L676-L701 HydrophobicContact CD1-CD2 3.56Å; V682-L701 HydrophobicContact CG1-CD1 4.15Å; M684-L701 HydrophobicContact CG-CD1 4.37Å; M684-L701 HydrophobicContact SD-CD1 3.58Å; M684-L701 VanDerWaalsContact SD-CD1 3.58Å; L697-L701 HydrophobicContact CD1-CD1 3.77Å; L697-L701 HydrophobicContact CD1-CD2 4.43Å; L697-L701 HydrophobicContact CD1-CG 3.79Å; L697-L701 HydrophobicContact CD2-CD1 4.37Å; L697-L701 HydrophobicContact CG-CD1 3.71Å; L697-L701 HydrophobicContact CG-CG 4.15Å; L697-L701 VanDerWaalsContact O-CB 3.3Å; L697-L701 WeakPolarHBondContact O-CB 3.27Å; L697-L701 WeakPolarHBondContact O-CG 3.45Å; L697-L701 PolarHBondContact O-N 3.02Å; L701-E703 VanDerWaalsContact C-N 3.31Å; L701-V704 PolarHBondContact O-N 2.89Å; L701-V705 WeakPolarHBondContact O-CB 3.38Å; L701-V705 WeakPolarHBondContact O-CG2 3.48Å; L701-V705 PolarHBondContact O-N 3.3Å; L701-L713 HydrophobicContact CB-CD2 4.14Å; L701-L713 HydrophobicContact CD1-CD1 3.92Å
702	R	86.2	Confident	86.6	Confident	83 Å²	83	36.5 Å²	36.5	31%	0.313	19%	0.186	S	C	.	.	H	α-helix	trans	-62	-39.4	169.9	179.1	175.3	165	-172.2	-10.2	111.4	F698 G699 L700 S706 F728 F729	F698-R702 VanDerWaalsContact O-CB 3.28Å; F698-R702 WeakPolarHBondContact O-CB 3.37Å; F698-R702 PolarHBondContact O-N 2.74Å; G699-R702 PolarHBondContact O-N 2.81Å; L700-R702 VanDerWaalsContact C-N 3.3Å; L700-R702 PolarHBondContact O-N 2.82Å; R702-S706 WeakPolarHBondContact O-CB 3.43Å; R702-S706 PolarHBondContact O-N 2.99Å; R702-F728 HydrophobicContact CB-CE1 4.4Å; R702-F728 PolarHBondContact NH1-O 3.38Å; R702-F729 HydrophobicContact CB-CD1 4.31Å; R702-F729 HydrophobicContact CB-CE1 4.07Å; R702-F729 HydrophobicContact CG-CD1 4.43Å
703	E	83.8	Confident	86.9	Confident	65 Å²	65	35.1 Å²	35.1	30%	0.304	18%	0.179	S	C	.	.	H	α-helix	trans	-70.5	-44.3	173.2	-66.7	-176.2	-175.8	0	0	112	G699 L700 L701 S706 R707	G699-E703 PolarHBondContact O-N 2.78Å; L700-E703 WeakPolarHBondContact O-CB 3.02Å; L700-E703 PolarHBondContact O-N 2.83Å; L700-E703 VanDerWaalsContact O-N 3.11Å; L701-E703 VanDerWaalsContact C-N 3.31Å; E703-S706 WeakPolarHBondContact O-CB 3.31Å; E703-S706 PolarHBondContact O-N 2.88Å; E703-R707 PolarHBondContact O-N 3.18Å; E703-R707 VanDerWaalsContact O-N 3.1Å
704	V	87	Confident	87.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-48.5	178.6	177.1	0	0	0	0	111.7	S674 L700 L701 S706 R707 R708 L711	S674-V704 WeakPolarHBondContact O-CG2 3.29Å; L700-V704 WeakPolarHBondContact O-CG2 3.32Å; L700-V704 PolarHBondContact O-N 2.86Å; L701-V704 PolarHBondContact O-N 2.89Å; V704-S706 PolarHBondContact O-N 2.99Å; V704-R707 CarbonylContact O-C 3.49Å; V704-R707 WeakPolarHBondContact O-CA 3.44Å; V704-R707 PolarHBondContact O-N 3.15Å; V704-R708 WeakPolarHBondContact O-CB 3.44Å; V704-R708 PolarHBondContact O-N 3.47Å; V704-L711 HydrophobicContact CG1-CD2 3.74Å
705	V	87.6	Confident	87.3	Confident	15 Å²	15	32 Å²	32	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-27.6	177.7	176.1	0	0	0	0	111.7	I583 L701 R707 L711 L713	I583-V705 HydrophobicContact CD1-CG1 4.07Å; I583-V705 HydrophobicContact CG1-CG1 3.88Å; L701-V705 WeakPolarHBondContact O-CB 3.38Å; L701-V705 WeakPolarHBondContact O-CG2 3.48Å; L701-V705 PolarHBondContact O-N 3.3Å; V705-R707 VanDerWaalsContact C-N 3.31Å; V705-L711 HydrophobicContact CG2-CD2 4.15Å; V705-L713 HydrophobicContact CG2-CB 4.11Å; V705-L713 HydrophobicContact CG2-CD2 4.4Å
706	S	84.6	Confident	87.4	Confident	104 Å²	104	32 Å²	32	73%	0.727	16%	0.162	S	C	*	.	H	α-helix	trans	-73.2	-18.9	171.2	-170.4	0	0	0	0	113.9	R702 E703 V704	R702-S706 WeakPolarHBondContact O-CB 3.43Å; R702-S706 PolarHBondContact O-N 2.99Å; E703-S706 WeakPolarHBondContact O-CB 3.31Å; E703-S706 PolarHBondContact O-N 2.88Å; V704-S706 PolarHBondContact O-N 2.99Å
707	R	85.3	Confident	87.2	Confident	129 Å²	129	32.1 Å²	32.1	49%	0.487	16%	0.163	S	C	.	.	H	α-helix	trans	-91.6	-34.2	170.3	-62.2	-164.3	-59.4	-99.9	7.7	112.4	S674 D675 E703 V704 V705	S674-R707 PolarHBondContact O-NH2 2.79Å; D675-R707 IonicContact OD1-CZ 3.08Å; D675-R707 IonicContact OD1-NE 3.46Å; D675-R707 PolarHBondContact OD1-NE 3.25Å; D675-R707 IonicContact OD1-NH2 2.71Å; D675-R707 PolarHBondContact OD1-NH2 3.01Å; D675-R707 IonicContact OD2-NH2 2.69Å; E703-R707 PolarHBondContact O-N 3.18Å; E703-R707 VanDerWaalsContact O-N 3.1Å; V704-R707 CarbonylContact O-C 3.49Å; V704-R707 WeakPolarHBondContact O-CA 3.44Å; V704-R707 PolarHBondContact O-N 3.15Å; V705-R707 VanDerWaalsContact C-N 3.31Å
708	R	84.4	Confident	86.5	Confident	34 Å²	34	33.2 Å²	33.2	13%	0.128	17%	0.172	C	C	.	.			trans	-129.7	100	-165	-173.5	177.4	167.8	-151.1	-10.6	111.3	D675 L676 Y679 V704 D710 L711	D675-R708 PolarHBondContact O-NH1 2.83Å; L676-R708 VanDerWaalsContact C-NH1 3.27Å; L676-R708 PolarHBondContact O-NH1 3.12Å; Y679-R708 PolarHBondContact O-NH1 3.16Å; Y679-R708 PolarHBondContact O-NH2 2.85Å; V704-R708 WeakPolarHBondContact O-CB 3.44Å; V704-R708 PolarHBondContact O-N 3.47Å; R708-D710 WeakPolarHBondContact CG-OD1 3.33Å; R708-D710 IonicContact CZ-OD2 2.7Å; R708-D710 VanDerWaalsContact CZ-OD2 3.28Å; R708-D710 IonicContact NE-OD1 3.09Å; R708-D710 PolarHBondContact NE-OD1 3.36Å; R708-D710 IonicContact NE-OD2 2.76Å; R708-D710 PolarHBondContact NE-OD2 2.99Å; R708-D710 IonicContact NH2-OD2 3.09Å; R708-D710 PolarHBondContact NH2-OD2 3.32Å; R708-L711 HydrophobicContact CG-CB 4.24Å
709	T	82.9	Confident	85.5	Confident	107 Å²	107	34.5 Å²	34.5	66%	0.656	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-18.2	-171.7	52.7	0	0	0	0	115	S582	S582-T709 PolarHBondContact OG-O 2.91Å
710	D	86.4	Confident	84.1	Confident	97 Å²	97	42.8 Å²	42.8	52%	0.519	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-23.8	176.1	58.3	-69.5	0	0	0	113.2	R708 K712	R708-D710 WeakPolarHBondContact CG-OD1 3.33Å; R708-D710 IonicContact CZ-OD2 2.7Å; R708-D710 VanDerWaalsContact CZ-OD2 3.28Å; R708-D710 IonicContact NE-OD1 3.09Å; R708-D710 PolarHBondContact NE-OD1 3.36Å; R708-D710 IonicContact NE-OD2 2.76Å; R708-D710 PolarHBondContact NE-OD2 2.99Å; R708-D710 IonicContact NH2-OD2 3.09Å; R708-D710 PolarHBondContact NH2-OD2 3.32Å; D710-K712 PolarHBondContact O-N 2.9Å
711	L	89.5	Confident	83.3	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.229	C	C	.	.			trans	-69.2	124.8	175.2	-176.9	65.7	0	0	0	110.3	V682 V704 V705 R708	V682-L711 HydrophobicContact CG2-CD1 4.28Å; V704-L711 HydrophobicContact CG1-CD2 3.74Å; V705-L711 HydrophobicContact CG2-CD2 4.15Å; R708-L711 HydrophobicContact CG-CB 4.24Å
712	K	90.9	Very high	82.5	Confident	22 Å²	22	44.6 Å²	44.6	10%	0.096	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.1	173.9	-63.5	-58.6	-166.3	167	0	111.3	I578 R579 N581 Y607 S680 A681 V682 D710	I578-K712 WeakPolarHBondContact O-CE 3.42Å; I578-K712 PolarHBondContact O-NZ 2.95Å; R579-K712 PolarHBondContact O-NZ 2.88Å; N581-K712 VanDerWaalsContact C-NZ 3.33Å; N581-K712 PolarHBondContact O-NZ 2.85Å; Y607-K712 HydrophobicContact CD1-CG 4.44Å; Y607-K712 HydrophobicContact CE1-CG 3.79Å; S680-K712 PolarHBondContact O-N 2.93Å; S680-K712 VanDerWaalsContact O-N 3.11Å; A681-K712 CarbonylContact C-O 3.59Å; A681-K712 VanDerWaalsContact CA-O 3.3Å; A681-K712 WeakPolarHBondContact CA-O 3.49Å; A681-K712 HydrophobicContact CB-CB 4.07Å; V682-K712 PolarHBondContact N-O 2.98Å; D710-K712 PolarHBondContact O-N 2.9Å
713	L	92.1	Very high	82.4	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.6	174.7	178.2	59.4	0	0	0	110.6	S582 I583 V584 V682 M684 L701 V705 V715 F729	S582-L713 PolarHBondContact O-N 2.93Å; I583-L713 CarbonylContact C-O 3.59Å; I583-L713 VanDerWaalsContact CA-O 3.26Å; I583-L713 WeakPolarHBondContact CA-O 3.49Å; I583-L713 HydrophobicContact CG1-CB 4.34Å; I583-L713 HydrophobicContact CG2-CB 4.33Å; I583-L713 HydrophobicContact CG2-CD2 4.19Å; I583-L713 HydrophobicContact CG2-CG 4.24Å; V584-L713 PolarHBondContact N-O 3.38Å; V682-L713 HydrophobicContact CB-CD1 4.46Å; V682-L713 HydrophobicContact CG1-CD1 4.34Å; V682-L713 WeakPolarHBondContact O-CA 3.28Å; M684-L713 HydrophobicContact CG-CD1 4.18Å; M684-L713 HydrophobicContact SD-CD1 4.12Å; L701-L713 HydrophobicContact CB-CD2 4.14Å; L701-L713 HydrophobicContact CD1-CD1 3.92Å; V705-L713 HydrophobicContact CG2-CB 4.11Å; V705-L713 HydrophobicContact CG2-CD2 4.4Å; L713-V715 HydrophobicContact CG-CG2 4.32Å; L713-F729 HydrophobicContact CD2-CE1 4.01Å; L713-F729 HydrophobicContact CD2-CZ 4.24Å
714	I	92.2	Very high	82.3	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.7	177.7	-55.3	161.7	0	0	0	109.3	I578 V584 V586 L598 L602 V682 I683 M684 T716	I578-I714 HydrophobicContact CD1-CD1 3.77Å; I578-I714 HydrophobicContact CG1-CD1 4.04Å; I578-I714 HydrophobicContact CG1-CG1 4.4Å; I578-I714 HydrophobicContact CG2-CD1 4.1Å; V584-I714 WeakPolarHBondContact O-CA 3.44Å; V586-I714 HydrophobicContact CB-CG2 4.5Å; V586-I714 HydrophobicContact CG2-CG2 3.77Å; L598-I714 HydrophobicContact CD1-CD1 4.41Å; L598-I714 HydrophobicContact CD2-CG2 3.84Å; L602-I714 HydrophobicContact CD1-CD1 3.86Å; L602-I714 HydrophobicContact CD2-CD1 4.22Å; V682-I714 PolarHBondContact O-N 3.47Å; I683-I714 CarbonylContact C-O 3.56Å; I683-I714 VanDerWaalsContact CA-O 3.32Å; I683-I714 WeakPolarHBondContact CA-O 3.35Å; I683-I714 HydrophobicContact CG1-CB 4.3Å; I683-I714 HydrophobicContact CG1-CD1 4.33Å; M684-I714 PolarHBondContact N-O 3.22Å; I714-T716 HydrophobicContact CG2-CG2 4.47Å
715	V	91.3	Very high	82.1	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	103.9	-179	-176.4	0	0	0	0	108.7	V584 I585 V586 A687 F698 L713 F725 F729	V584-V715 PolarHBondContact O-N 2.94Å; I585-V715 WeakPolarHBondContact CA-O 3.35Å; I585-V715 HydrophobicContact CG1-CB 4.42Å; V586-V715 PolarHBondContact N-O 3.49Å; A687-V715 HydrophobicContact CB-CG1 3.55Å; F698-V715 HydrophobicContact CE1-CG1 3.96Å; F698-V715 HydrophobicContact CE1-CG2 4.1Å; F698-V715 HydrophobicContact CZ-CG1 4.12Å; L713-V715 HydrophobicContact CG-CG2 4.32Å; V715-F725 HydrophobicContact CG1-CD1 4.27Å; V715-F729 HydrophobicContact CG2-CE2 4.01Å; V715-F729 HydrophobicContact CG2-CZ 4.41Å
716	T	88.9	Confident	82.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.4	178.4	37	0	0	0	0	112	V586 K594 L598 M684 D685 E686 A687 I714	V586-T716 HydrophobicContact CB-CG2 3.69Å; V586-T716 HydrophobicContact CG1-CG2 3.92Å; V586-T716 WeakPolarHBondContact O-CA 3.41Å; K594-T716 HydrophobicContact CB-CG2 4.29Å; K594-T716 HydrophobicContact CD-CG2 4.14Å; L598-T716 HydrophobicContact CD2-CG2 3.73Å; M684-T716 PolarHBondContact O-N 2.87Å; M684-T716 PolarHBondContact O-OG1 3.42Å; D685-T716 WeakPolarHBondContact CA-OG1 3.43Å; D685-T716 WeakPolarHBondContact CB-OG1 3.15Å; D685-T716 VanDerWaalsContact CG-OG1 3.23Å; D685-T716 WeakPolarHBondContact OD1-CB 3.46Å; D685-T716 PolarHBondContact OD1-OG1 2.7Å; E686-T716 PolarHBondContact N-O 3.09Å; A687-T716 PolarHBondContact N-O 2.84Å; I714-T716 HydrophobicContact CG2-CG2 4.47Å
717	S	82.4	Confident	82.1	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.5	-178.1	-179.6	0	0	0	0	112	V586 G588 K594 T719	V586-S717 PolarHBondContact O-N 2.81Å; G588-S717 PolarHBondContact N-O 3.1Å; K594-S717 WeakPolarHBondContact CE-O 3.5Å; K594-S717 PolarHBondContact NZ-O 2.91Å; S717-T719 PolarHBondContact OG-N 3.13Å; S717-T719 VanDerWaalsContact OG-N 3.12Å; S717-T719 PolarHBondContact OG-O 3.25Å; S717-T719 PolarHBondContact OG-OG1 3.31Å
718	A	73.3	Confident	82.1	Confident	22 Å²	22	39.6 Å²	39.6	18%	0.182	22%	0.218	C	C	.	.	S	Bend	trans	-106.9	4.7	171.9	0	0	0	0	0	113.4	G588 T590	G588-A718 WeakPolarHBondContact O-CA 3.31Å; T590-A718 HydrophobicContact CG2-CB 3.77Å
719	T	67.6	Low	82.2	Confident	27 Å²	27	38.9 Å²	38.9	17%	0.166	22%	0.216	C	C	.	.	S	Bend	trans	-128.8	164	-172.2	64.5	0	0	0	0	113.1	H688 S717 D721 Q887	H688-T719 HydrophobicContact CB-CG2 3.79Å; H688-T719 VanDerWaalsContact CB-OG1 3.29Å; H688-T719 WeakPolarHBondContact CB-OG1 3.46Å; S717-T719 PolarHBondContact OG-N 3.13Å; S717-T719 VanDerWaalsContact OG-N 3.12Å; S717-T719 PolarHBondContact OG-O 3.25Å; S717-T719 PolarHBondContact OG-OG1 3.31Å; T719-D721 PolarHBondContact O-N 2.91Å; T719-Q887 VanDerWaalsContact CG2-NE2 3.28Å
720	M	56.2	Low	82.2	Confident	174 Å²	174	36.9 Å²	36.9	86%	0.857	22%	0.216	S	C	*	.	S	Bend	trans	-83.6	-0	-171.9	-65	176.5	64.4	0	0	115.7	S722	M720-S722 PolarHBondContact O-N 2.96Å
721	D	67.8	Low	82	Confident	43 Å²	43	38.6 Å²	38.6	23%	0.23	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	31.1	-175.7	-154.8	11.7	0	0	0	112.7	T719 D723 K724 F725	T719-D721 PolarHBondContact O-N 2.91Å; D721-D723 PolarHBondContact O-N 2.82Å; D721-K724 PolarHBondContact O-N 3.33Å; D721-K724 WeakPolarHBondContact OD1-CD 3.46Å; D721-K724 WeakPolarHBondContact OD1-CE 3.32Å; D721-K724 WeakPolarHBondContact OD1-CG 3.46Å; D721-K724 IonicContact OD1-NZ 3.55Å; D721-K724 PolarHBondContact OD1-NZ 3.01Å; D721-K724 WeakPolarHBondContact OD2-CD 3.42Å; D721-K724 WeakPolarHBondContact OD2-CE 3.36Å; D721-K724 IonicContact OD2-NZ 3.04Å; D721-K724 PolarHBondContact OD2-NZ 2.86Å; D721-F725 VanDerWaalsContact O-CD2 3.28Å; D721-F725 WeakPolarHBondContact O-CD2 3.2Å
722	S	73.2	Confident	81.9	Confident	6 Å²	6	39.4 Å²	39.4	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-27.3	-172.8	44.4	0	0	0	0	113.6	M720 K724 F725 A726	M720-S722 PolarHBondContact O-N 2.96Å; S722-K724 VanDerWaalsContact C-N 3.32Å; S722-K724 PolarHBondContact O-N 3.27Å; S722-F725 PolarHBondContact O-N 3.02Å; S722-A726 WeakPolarHBondContact O-CB 3.27Å; S722-A726 PolarHBondContact O-N 3.36Å
723	D	82.4	Confident	81.9	Confident	114 Å²	114	40.8 Å²	40.8	61%	0.61	24%	0.241	S	C	*	.	H	α-helix	trans	-68.6	-33.4	-175	-54.5	-15.9	0	0	0	111.4	D721 A726 A727	D721-D723 PolarHBondContact O-N 2.82Å; D723-A726 PolarHBondContact O-N 3.21Å; D723-A727 VanDerWaalsContact O-CB 3.31Å; D723-A727 WeakPolarHBondContact O-CB 3.37Å; D723-A727 PolarHBondContact O-N 2.98Å
724	K	82.9	Confident	81.8	Confident	84 Å²	84	43.1 Å²	43.1	37%	0.365	25%	0.253	S	S	.	.	H	α-helix	trans	-68.7	-43.1	172.3	-65.3	-177	-163	155.8	0	112	D721 S722 A726 A727 F728	D721-K724 PolarHBondContact O-N 3.33Å; D721-K724 WeakPolarHBondContact OD1-CD 3.46Å; D721-K724 WeakPolarHBondContact OD1-CE 3.32Å; D721-K724 WeakPolarHBondContact OD1-CG 3.46Å; D721-K724 IonicContact OD1-NZ 3.55Å; D721-K724 PolarHBondContact OD1-NZ 3.01Å; D721-K724 WeakPolarHBondContact OD2-CD 3.42Å; D721-K724 WeakPolarHBondContact OD2-CE 3.36Å; D721-K724 IonicContact OD2-NZ 3.04Å; D721-K724 PolarHBondContact OD2-NZ 2.86Å; S722-K724 VanDerWaalsContact C-N 3.32Å; S722-K724 PolarHBondContact O-N 3.27Å; K724-A726 VanDerWaalsContact C-N 3.32Å; K724-A726 PolarHBondContact O-N 3.05Å; K724-A727 PolarHBondContact O-N 3.41Å; K724-F728 WeakPolarHBondContact O-CB 3.47Å; K724-F728 PolarHBondContact O-N 2.93Å
725	F	83.4	Confident	81.6	Confident	5 Å²	5	44.2 Å²	44.2	2%	0.022	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-43.7	174.7	-69.2	-81.6	0	0	0	110.5	I585 A687 F698 V715 D721 S722 F728 F729 M949	I585-F725 VanDerWaalsContact CD1-C 3.48Å; I585-F725 HydrophobicContact CD1-CB 3.74Å; I585-F725 HydrophobicContact CG1-CB 4.33Å; A687-F725 HydrophobicContact CB-CE1 4.18Å; A687-F725 HydrophobicContact CB-CZ 4.33Å; F698-F725 AromaticContact CE2-CE1 3.88Å; F698-F725 HydrophobicContact CE2-CE1 3.88Å; F698-F725 HydrophobicContact CZ-CD1 4.45Å; F698-F725 AromaticContact CZ-CE1 3.91Å; F698-F725 HydrophobicContact CZ-CE1 3.91Å; V715-F725 HydrophobicContact CG1-CD1 4.27Å; D721-F725 VanDerWaalsContact O-CD2 3.28Å; D721-F725 WeakPolarHBondContact O-CD2 3.2Å; S722-F725 PolarHBondContact O-N 3.02Å; F725-F728 PolarHBondContact O-N 3.27Å; F725-F729 VanDerWaalsContact O-CD2 3.26Å; F725-F729 WeakPolarHBondContact O-CD2 3.1Å; F725-F729 PolarHBondContact O-N 2.95Å; F725-M949 HydrophobicContact CD1-CE 3.56Å; F725-M949 HydrophobicContact CD1-SD 4.01Å; F725-M949 HydrophobicContact CE1-CE 3.85Å; F725-M949 HydrophobicContact CE1-SD 3.98Å; F725-M949 HydrophobicContact CG-CE 4.44Å
726	A	85.6	Confident	81.5	Confident	7 Å²	7	49.6 Å²	49.6	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-49.8	177.5	0	0	0	0	0	111.2	I585 S722 D723 K724 F728 F729 G730 N731 I734	I585-A726 VanDerWaalsContact CD1-CA 3.43Å; I585-A726 HydrophobicContact CD1-CB 3.9Å; I585-A726 VanDerWaalsContact CD1-N 3.28Å; S722-A726 WeakPolarHBondContact O-CB 3.27Å; S722-A726 PolarHBondContact O-N 3.36Å; D723-A726 PolarHBondContact O-N 3.21Å; K724-A726 VanDerWaalsContact C-N 3.32Å; K724-A726 PolarHBondContact O-N 3.05Å; A726-F728 VanDerWaalsContact C-N 3.33Å; A726-F728 PolarHBondContact O-N 3.38Å; A726-F729 PolarHBondContact O-N 3.17Å; A726-G730 PolarHBondContact O-N 3.49Å; A726-G730 VanDerWaalsContact O-N 3.1Å; A726-N731 WeakPolarHBondContact O-CA 3.43Å; A726-N731 PolarHBondContact O-N 2.98Å; A726-I734 HydrophobicContact CB-CD1 3.94Å; A726-I734 HydrophobicContact CB-CG1 4.07Å
727	A	86.4	Confident	81.3	Confident	61 Å²	61	50 Å²	50	50%	0.504	29%	0.285	S	S	.	.	H	α-helix	trans	-58.5	-42.5	176.9	0	0	0	0	0	112.4	D723 K724 F729 G730	D723-A727 VanDerWaalsContact O-CB 3.31Å; D723-A727 WeakPolarHBondContact O-CB 3.37Å; D723-A727 PolarHBondContact O-N 2.98Å; K724-A727 PolarHBondContact O-N 3.41Å; A727-F729 VanDerWaalsContact C-N 3.33Å; A727-F729 PolarHBondContact O-N 3.15Å; A727-G730 PolarHBondContact O-N 2.85Å
728	F	85.4	Confident	81.3	Confident	20 Å²	20	53.2 Å²	53.2	9%	0.088	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-37.4	178.8	178.5	-97.6	0	0	0	113.3	F698 R702 K724 F725 A726 H947 M949	F698-F728 HydrophobicContact CB-CE1 4.02Å; F698-F728 HydrophobicContact CB-CZ 4.49Å; R702-F728 HydrophobicContact CB-CE1 4.4Å; R702-F728 PolarHBondContact NH1-O 3.38Å; K724-F728 WeakPolarHBondContact O-CB 3.47Å; K724-F728 PolarHBondContact O-N 2.93Å; F725-F728 PolarHBondContact O-N 3.27Å; A726-F728 VanDerWaalsContact C-N 3.33Å; A726-F728 PolarHBondContact O-N 3.38Å; F728-H947 HydrophobicContact CE2-CB 4.41Å; F728-H947 VanDerWaalsContact CE2-O 3.26Å; F728-H947 WeakPolarHBondContact CE2-O 3.29Å; F728-H947 VanDerWaalsContact CZ-O 3.24Å; F728-H947 WeakPolarHBondContact CZ-O 3.43Å; F728-M949 HydrophobicContact CB-CE 4Å; F728-M949 HydrophobicContact CB-CG 4.25Å; F728-M949 HydrophobicContact CD1-CE 3.72Å; F728-M949 HydrophobicContact CD2-CB 3.83Å; F728-M949 HydrophobicContact CD2-CE 4.48Å; F728-M949 HydrophobicContact CD2-CG 4.08Å; F728-M949 HydrophobicContact CE1-CE 4.36Å; F728-M949 HydrophobicContact CE2-CB 4.05Å; F728-M949 HydrophobicContact CG-CB 4.24Å; F728-M949 HydrophobicContact CG-CE 3.79Å; F728-M949 HydrophobicContact CG-CG 4.15Å
729	F	84.9	Confident	81	Confident	19 Å²	19	54.3 Å²	54.3	8%	0.083	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	5.9	177.4	-67.7	-68	0	0	0	114.3	I583 F698 R702 L713 V715 F725 A726 A727 V732	I583-F729 HydrophobicContact CD1-CB 4.16Å; I583-F729 HydrophobicContact CD1-CD1 3.8Å; I583-F729 HydrophobicContact CD1-CG 4.22Å; I583-F729 HydrophobicContact CG2-CB 4.45Å; I583-F729 HydrophobicContact CG2-CG 4.27Å; F698-F729 HydrophobicContact CB-CZ 4.24Å; F698-F729 HydrophobicContact CD1-CE2 4.26Å; F698-F729 AromaticContact CD1-CZ 3.71Å; F698-F729 HydrophobicContact CD1-CZ 3.71Å; F698-F729 HydrophobicContact CE1-CZ 4.41Å; F698-F729 HydrophobicContact CG-CZ 4.22Å; R702-F729 HydrophobicContact CB-CD1 4.31Å; R702-F729 HydrophobicContact CB-CE1 4.07Å; R702-F729 HydrophobicContact CG-CD1 4.43Å; L713-F729 HydrophobicContact CD2-CE1 4.01Å; L713-F729 HydrophobicContact CD2-CZ 4.24Å; V715-F729 HydrophobicContact CG2-CE2 4.01Å; V715-F729 HydrophobicContact CG2-CZ 4.41Å; F725-F729 VanDerWaalsContact O-CD2 3.26Å; F725-F729 WeakPolarHBondContact O-CD2 3.1Å; F725-F729 PolarHBondContact O-N 2.95Å; A726-F729 PolarHBondContact O-N 3.17Å; A727-F729 VanDerWaalsContact C-N 3.33Å; A727-F729 PolarHBondContact O-N 3.15Å; F729-V732 HydrophobicContact CB-CB 4.25Å; F729-V732 HydrophobicContact CB-CG2 3.5Å
730	G	82.9	Confident	81.1	Confident	64 Å²	64	58.4 Å²	58.4	66%	0.66	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	42.4	175.7	0	0	0	0	0	115.1	A726 A727	A726-G730 PolarHBondContact O-N 3.49Å; A726-G730 VanDerWaalsContact O-N 3.1Å; A727-G730 PolarHBondContact O-N 2.85Å
731	N	83.5	Confident	81.8	Confident	133 Å²	133	53 Å²	53	71%	0.711	31%	0.308	S	S	*	.	S	Bend	trans	62.1	48.1	-177.2	-64.3	-9.6	0	0	0	114	A726	A726-N731 WeakPolarHBondContact O-CA 3.43Å; A726-N731 PolarHBondContact O-N 2.98Å
732	V	87.3	Confident	82.4	Confident	19 Å²	19	55 Å²	55	12%	0.115	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-61.2	142.8	172.8	162.8	0	0	0	0	112.2	I583 I585 F729 I734	I583-V732 HydrophobicContact CB-CG1 4.17Å; I583-V732 HydrophobicContact CB-CG2 3.81Å; I583-V732 HydrophobicContact CD1-CG2 4.46Å; I583-V732 HydrophobicContact CG2-CG1 4Å; I583-V732 HydrophobicContact CG2-CG2 4Å; I583-V732 WeakPolarHBondContact O-CG1 3.47Å; I585-V732 HydrophobicContact CD1-CB 4.08Å; I585-V732 HydrophobicContact CD1-CG1 3.87Å; I585-V732 HydrophobicContact CG1-CG1 3.9Å; F729-V732 HydrophobicContact CB-CB 4.25Å; F729-V732 HydrophobicContact CB-CG2 3.5Å; V732-I734 PolarHBondContact O-N 3.47Å
733	P	89.9	Confident	82.8	Confident	50 Å²	50	59.5 Å²	59.5	33%	0.325	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-60.6	133.6	175.8	24	-35.1	0	0	0	113.1	I577 N581 I585	I577-P733 HydrophobicContact CG2-CG 4.41Å; N581-P733 HydrophobicContact CB-CG 4.26Å; I585-P733 PolarHBondContact N-O 2.97Å; I585-P733 VanDerWaalsContact N-O 3.15Å
734	I	89.5	Confident	82.9	Confident	52 Å²	52	55.8 Å²	55.8	27%	0.267	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.4	174.6	-55.4	160	0	0	0	108.5	I585 V587 A726 V732 H736	I585-I734 HydrophobicContact CB-CG1 4.41Å; I585-I734 HydrophobicContact CD1-CG1 4.48Å; I585-I734 HydrophobicContact CG2-CG1 4.46Å; I585-I734 HydrophobicContact CG2-CG2 4.38Å; I585-I734 CarbonylContact O-C 3.19Å; I585-I734 WeakPolarHBondContact O-CA 3.4Å; V587-I734 HydrophobicContact CG2-CG2 3.74Å; A726-I734 HydrophobicContact CB-CD1 3.94Å; A726-I734 HydrophobicContact CB-CG1 4.07Å; V732-I734 PolarHBondContact O-N 3.47Å; I734-H736 WeakPolarHBondContact CG2-NE2 3.27Å
735	F	89.3	Confident	83.2	Confident	23 Å²	23	56.2 Å²	56.2	10%	0.101	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.3	175.7	-170.4	-105.7	0	0	0	110.9	V570 Q573 L574 I577 I585 V587 I737	V570-F735 HydrophobicContact CB-CE1 4.21Å; V570-F735 HydrophobicContact CB-CZ 3.98Å; V570-F735 HydrophobicContact CG2-CE1 4.05Å; V570-F735 HydrophobicContact CG2-CZ 4.34Å; Q573-F735 HydrophobicContact CB-CE2 4.15Å; Q573-F735 HydrophobicContact CB-CZ 4.12Å; L574-F735 HydrophobicContact CB-CD1 4.43Å; L574-F735 HydrophobicContact CB-CE1 3.93Å; L574-F735 HydrophobicContact CB-CZ 4.26Å; L574-F735 HydrophobicContact CD1-CD1 3.8Å; L574-F735 HydrophobicContact CD1-CE1 4.16Å; L574-F735 HydrophobicContact CD1-CG 4.36Å; L574-F735 HydrophobicContact CG-CE1 4.47Å; I577-F735 HydrophobicContact CD1-CD2 3.34Å; I577-F735 HydrophobicContact CD1-CE2 3.68Å; I577-F735 HydrophobicContact CD1-CG 4.24Å; I585-F735 PolarHBondContact O-N 3.39Å; V587-F735 PolarHBondContact N-O 2.82Å; F735-I737 HydrophobicContact CD1-CG1 4.1Å; F735-I737 HydrophobicContact CE1-CG1 4.04Å
736	H	88.1	Confident	83.4	Confident	115 Å²	115	59.2 Å²	59.2	53%	0.532	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.3	178.7	-63.9	-81.7	0	0	0	111	V587 I734	V587-H736 WeakPolarHBondContact O-CA 3.45Å; I734-H736 WeakPolarHBondContact CG2-NE2 3.27Å
737	I	85.9	Confident	83.5	Confident	9 Å²	9	61.6 Å²	61.6	5%	0.046	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-78	126.5	169.9	-61	166.7	0	0	0	107.9	P566 I567 V570 V586 V587 K594 F735 G739	P566-I737 HydrophobicContact CB-CG2 4.33Å; I567-I737 HydrophobicContact CB-CD1 4.46Å; I567-I737 HydrophobicContact CB-CG2 4.46Å; I567-I737 HydrophobicContact CD1-CD1 3.78Å; I567-I737 HydrophobicContact CG1-CD1 3.91Å; V570-I737 HydrophobicContact CG2-CG1 4.32Å; V570-I737 HydrophobicContact CG2-CG2 4.27Å; V586-I737 HydrophobicContact CG1-CD1 3.56Å; V586-I737 HydrophobicContact CG1-CG1 4.17Å; V587-I737 PolarHBondContact O-N 3.39Å; K594-I737 HydrophobicContact CD-CD1 4.39Å; K594-I737 HydrophobicContact CG-CD1 4.03Å; F735-I737 HydrophobicContact CD1-CG1 4.1Å; F735-I737 HydrophobicContact CE1-CG1 4.04Å; I737-G739 PolarHBondContact O-N 3.14Å
738	P	80.7	Confident	83.3	Confident	71 Å²	71	60.7 Å²	60.7	46%	0.461	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-61.3	138.7	-178.8	24.3	-33.7	0	0	0	111.7	V570	V570-P738 HydrophobicContact CG1-CG 4.24Å
739	G	68.6	Low	83.1	Confident	44 Å²	44	60.4 Å²	60.4	45%	0.454	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.6	167.3	-179.4	0	0	0	0	0	114.3	E589 I737	E589-G739 VanDerWaalsContact OE1-CA 3.31Å; E589-G739 WeakPolarHBondContact OE1-CA 3.31Å; E589-G739 WeakPolarHBondContact OE2-CA 3.43Å; I737-G739 PolarHBondContact O-N 3.14Å
740	R	68.8	Low	82.9	Confident	114 Å²	114	69.3 Å²	69.3	43%	0.43	38%	0.383	S	S	.	.			trans	-146.3	9.8	174.1	-150.9	-163.9	141.9	155.1	-0	113.5	Y564 P566 E589 F742	Y564-R740 VanDerWaalsContact CD1-NH1 3.29Å; Y564-R740 VanDerWaalsContact CE1-NH2 3.29Å; Y564-R740 VanDerWaalsContact CZ-NH1 3.28Å; Y564-R740 VanDerWaalsContact CZ-NH2 3.27Å; Y564-R740 PolarHBondContact O-NH1 2.88Å; Y564-R740 PolarHBondContact OH-NH2 2.7Å; P566-R740 HydrophobicContact CG-CB 3.76Å; P566-R740 HydrophobicContact CG-CG 4.27Å; E589-R740 PolarHBondContact OE2-N 3.25Å; R740-F742 PolarHBondContact O-N 3.02Å
741	T	71	Confident	82.9	Confident	61 Å²	61	70 Å²	70	37%	0.374	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-63.1	133.7	167.7	51.6	0	0	0	0	110.7	E589 G893	E589-T741 PolarHBondContact OE1-OG1 3.06Å; E589-T741 PolarHBondContact OE2-N 3.1Å; E589-T741 PolarHBondContact OE2-OG1 3.24Å; T741-G893 CarbonylContact C-O 3.54Å; T741-G893 VanDerWaalsContact CA-O 3.28Å; T741-G893 WeakPolarHBondContact CA-O 3.46Å
742	F	80.1	Confident	82.7	Confident	84 Å²	84	66.8 Å²	66.8	37%	0.368	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-64.1	155.1	162.8	-64.9	-86.7	0	0	0	109.9	R740 G893 G896 P897	R740-F742 PolarHBondContact O-N 3.02Å; F742-G893 PolarHBondContact N-O 3.48Å; F742-G896 VanDerWaalsContact CB-C 3.42Å; F742-G896 WeakPolarHBondContact CB-O 3.49Å; F742-G896 VanDerWaalsContact CD2-CA 3.46Å; F742-P897 HydrophobicContact CB-CB 4.49Å
743	P	82.8	Confident	82.1	Confident	100 Å²	100	69.5 Å²	69.5	65%	0.649	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-57.3	146.2	176.3	24.6	-34.8	0	0	0	111.6	P897 G898	P743-P897 WeakPolarHBondContact O-CA 3.48Å; P743-G898 PolarHBondContact O-N 2.78Å
744	V	84.5	Confident	81.5	Confident	36 Å²	36	72.1 Å²	72.1	22%	0.218	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.1	177.7	179.6	0	0	0	0	109.2	I746 A892 G893 G898 C900	V744-I746 PolarHBondContact O-N 3.17Å; V744-A892 HydrophobicContact CG1-CB 4.04Å; V744-A892 HydrophobicContact CG2-CB 4.16Å; V744-G893 VanDerWaalsContact CG2-CA 3.45Å; V744-G893 VanDerWaalsContact CG2-N 3.32Å; V744-G898 VanDerWaalsContact CA-O 3.29Å; V744-G898 WeakPolarHBondContact CA-O 3.25Å; V744-C900 HydrophobicContact CG1-CB 3.67Å
745	D	88.1	Confident	81.3	Confident	93 Å²	93	70.6 Å²	70.6	50%	0.497	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	121.8	174.3	-64.6	-36.8	0	0	0	109.6	G898 Q899 C900	D745-G898 PolarHBondContact N-O 3.31Å; D745-Q899 HydrophobicContact CB-CG 4.16Å; D745-Q899 PolarHBondContact OD2-NE2 2.87Å; D745-C900 PolarHBondContact O-N 3.33Å
746	I	87.6	Confident	81.2	Confident	69 Å²	69	69.8 Å²	69.8	35%	0.354	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.8	-179.8	-55.2	179	0	0	0	109.8	V744 F748 R902	V744-I746 PolarHBondContact O-N 3.17Å; I746-F748 HydrophobicContact CB-CE2 4.32Å; I746-F748 HydrophobicContact CG2-CD2 4.12Å; I746-F748 HydrophobicContact CG2-CE2 3.53Å; I746-F748 HydrophobicContact CG2-CZ 3.77Å; I746-R902 HydrophobicContact CG2-CG 4.16Å
747	L	87.3	Confident	81.2	Confident	56 Å²	56	64.3 Å²	64.3	29%	0.293	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.7	-178	-65.1	169.3	0	0	0	109.9	C900 Y901 R902 Q903	L747-C900 PolarHBondContact N-O 2.84Å; L747-Y901 HydrophobicContact CB-CD1 4.36Å; L747-Y901 HydrophobicContact CD1-CD1 3.78Å; L747-Y901 HydrophobicContact CD1-CE1 3.37Å; L747-Y901 HydrophobicContact CD1-CE2 4.48Å; L747-R902 CarbonylContact O-C 3.55Å; L747-R902 WeakPolarHBondContact O-CA 3.35Å; L747-R902 WeakPolarHBondContact O-CB 3.37Å; L747-R902 PolarHBondContact O-N 3.09Å; L747-Q903 HydrophobicContact CB-CG 4.18Å; L747-Q903 PolarHBondContact O-N 3.36Å
748	F	83.5	Confident	81.3	Confident	42 Å²	42	67.2 Å²	67.2	18%	0.184	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-101.7	152	-179.9	-68	-91.1	0	0	0	112.8	I746 R902 Q903 Q908 Y911	I746-F748 HydrophobicContact CB-CE2 4.32Å; I746-F748 HydrophobicContact CG2-CD2 4.12Å; I746-F748 HydrophobicContact CG2-CE2 3.53Å; I746-F748 HydrophobicContact CG2-CZ 3.77Å; F748-R902 HydrophobicContact CD1-CB 4.35Å; F748-Q903 WeakPolarHBondContact O-CG 3.19Å; F748-Q903 PolarHBondContact O-NE2 3.24Å; F748-Q908 HydrophobicContact CB-CB 4.39Å; F748-Q908 HydrophobicContact CD1-CB 4.2Å; F748-Q908 HydrophobicContact CD1-CG 4.36Å; F748-Q908 HydrophobicContact CD2-CG 4.27Å; F748-Q908 HydrophobicContact CE1-CG 4.33Å; F748-Q908 HydrophobicContact CE2-CG 4.24Å; F748-Q908 HydrophobicContact CG-CB 4.14Å; F748-Q908 HydrophobicContact CG-CG 4.32Å; F748-Q908 HydrophobicContact CZ-CG 4.27Å; F748-Y911 HydrophobicContact CE1-CD1 4.15Å; F748-Y911 HydrophobicContact CE1-CD2 4.42Å; F748-Y911 AromaticContact CE1-CG 3.87Å; F748-Y911 HydrophobicContact CE1-CG 3.87Å; F748-Y911 HydrophobicContact CZ-CD1 4.24Å; F748-Y911 HydrophobicContact CZ-CG 4.37Å
749	S	80.9	Confident	81.6	Confident	14 Å²	14	64.1 Å²	64.1	10%	0.098	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-72.1	145.2	172.9	-160.6	0	0	0	0	111.5	T751	S749-T751 VanDerWaalsContact CB-O 3.28Å; S749-T751 WeakPolarHBondContact CB-O 3.25Å; S749-T751 PolarHBondContact OG-O 3.41Å
750	K	80.9	Confident	82.6	Confident	206 Å²	206	62.2 Å²	62.2	90%	0.896	32%	0.317	S	S	*	.	S	Bend	trans	-79.4	-33.4	172.4	-68	-171.3	179.4	-176.8	0	112.2
751	T	81.9	Confident	83.6	Confident	78 Å²	78	56.9 Å²	56.9	48%	0.479	30%	0.297	S	S	.	.	S	Bend	trans	-118.5	150.2	177.4	48	0	0	0	0	110.3	S749 Q753	S749-T751 VanDerWaalsContact CB-O 3.28Å; S749-T751 WeakPolarHBondContact CB-O 3.25Å; S749-T751 PolarHBondContact OG-O 3.41Å; T751-Q753 PolarHBondContact OG1-NE2 3.07Å
752	P	79.1	Confident	84.5	Confident	66 Å²	66	59 Å²	59	43%	0.429	30%	0.301	S	S	.	.			trans	-62.4	156.6	163	29.9	-34.3	0	0	0	109.7
753	Q	75.9	Confident	84.8	Confident	76 Å²	76	55.1 Å²	55.1	36%	0.355	28%	0.284	S	S	.	.			trans	-130	130.9	173.8	-64.9	-68.5	-80.6	0	0	109.4	T751 R904 L905	T751-Q753 PolarHBondContact OG1-NE2 3.07Å; Q753-R904 VanDerWaalsContact CB-O 3.31Å; Q753-R904 WeakPolarHBondContact CB-O 3.29Å; Q753-R904 HydrophobicContact CG-CB 4.35Å; Q753-R904 WeakPolarHBondContact CG-O 3.35Å; Q753-L905 HydrophobicContact CB-CD2 4.3Å; Q753-L905 PolarHBondContact N-O 3.28Å; Q753-L905 WeakPolarHBondContact O-CD2 2.97Å
754	E	77.5	Confident	85.1	Confident	106 Å²	106	50.4 Å²	50.4	50%	0.495	25%	0.253	S	S	.	.	S	Bend	trans	-71.9	-30.1	-176.4	-69.1	-156.1	123.5	0	0	113.8	I473 K476	I473-E754 WeakPolarHBondContact CG2-O 3.37Å; K476-E754 IonicContact NZ-OE1 3.2Å; K476-E754 PolarHBondContact NZ-OE1 3.02Å
755	D	85.4	Confident	85.3	Confident	20 Å²	20	49.7 Å²	49.7	11%	0.107	25%	0.248	C	C	.	.			trans	-114.8	108.4	-176.2	-155.9	-46.1	0	0	0	112.5	S478 Q479 L480 V757 E758 A759	S478-D755 WeakPolarHBondContact CB-OD1 3.28Å; S478-D755 VanDerWaalsContact OG-CG 3.23Å; S478-D755 PolarHBondContact OG-OD1 3.48Å; S478-D755 PolarHBondContact OG-OD2 2.81Å; S478-D755 VanDerWaalsContact OG-OD2 3.09Å; Q479-D755 WeakPolarHBondContact CA-OD2 3.48Å; Q479-D755 WeakPolarHBondContact CB-OD2 3.2Å; Q479-D755 PolarHBondContact N-OD2 3.01Å; L480-D755 PolarHBondContact N-OD2 3.31Å; D755-V757 PolarHBondContact OD1-N 3.43Å; D755-E758 HydrophobicContact CB-CB 4.43Å; D755-A759 VanDerWaalsContact O-CB 3.3Å; D755-A759 WeakPolarHBondContact O-CB 3.39Å; D755-A759 PolarHBondContact O-N 2.92Å
756	Y	86.4	Confident	85.3	Confident	6 Å²	6	50 Å²	50	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-73.9	-26.9	-175.1	56	-96.5	0	0	0	114.8	I473 A760 M780 P781 D785 Y860	I473-Y756 HydrophobicContact CG2-CD1 4.44Å; Y756-A760 WeakPolarHBondContact O-CB 3.44Å; Y756-A760 PolarHBondContact O-N 2.98Å; Y756-M780 HydrophobicContact CD2-SD 4.07Å; Y756-M780 HydrophobicContact CE2-SD 4.45Å; Y756-P781 HydrophobicContact CE2-CG 3.73Å; Y756-D785 HydrophobicContact CE2-CB 4.42Å; Y756-D785 WeakPolarHBondContact CE2-OD1 3.22Å; Y756-D785 PolarHBondContact OH-OD1 3.24Å; Y756-Y860 HydrophobicContact CD1-CD2 4.06Å; Y756-Y860 HydrophobicContact CD1-CE2 4.04Å; Y756-Y860 HydrophobicContact CG-CD2 4.17Å; Y756-Y860 HydrophobicContact CG-CE2 4.35Å
757	V	89.2	Confident	85.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-76.3	-47.9	-179.4	-178.8	0	0	0	0	109.9	L480 V481 D755 A759 A760 V761 M780 V788 T789	L480-V757 HydrophobicContact CD2-CB 4.05Å; L480-V757 HydrophobicContact CD2-CG1 3.79Å; V481-V757 HydrophobicContact CG2-CB 4.44Å; V481-V757 HydrophobicContact CG2-CG2 3.72Å; D755-V757 PolarHBondContact OD1-N 3.43Å; V757-A759 VanDerWaalsContact C-N 3.33Å; V757-A759 PolarHBondContact O-N 3.26Å; V757-A760 PolarHBondContact O-N 3.09Å; V757-V761 HydrophobicContact CG1-CG2 4.44Å; V757-V761 WeakPolarHBondContact O-CG2 3.2Å; V757-V761 PolarHBondContact O-N 3.08Å; V757-M780 HydrophobicContact CG2-CE 4.46Å; V757-M780 HydrophobicContact CG2-SD 4.31Å; V757-V788 HydrophobicContact CG1-CG1 4.2Å; V757-T789 WeakPolarHBondContact CG1-OG1 3.34Å
758	E	87.9	Confident	85.2	Confident	69 Å²	69	44.3 Å²	44.3	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-62.7	-40.9	179.1	-155.5	-173.1	133.7	0	0	112.1	L480 D755 A760 K762	L480-E758 HydrophobicContact CD2-CB 3.87Å; L480-E758 HydrophobicContact CD2-CG 4.25Å; D755-E758 HydrophobicContact CB-CB 4.43Å; E758-A760 PolarHBondContact O-N 2.8Å; E758-K762 HydrophobicContact CG-CD 4.39Å; E758-K762 WeakPolarHBondContact O-CB 3.25Å; E758-K762 WeakPolarHBondContact O-CG 3.36Å; E758-K762 PolarHBondContact O-N 3.16Å; E758-K762 VanDerWaalsContact OE1-CE 3.24Å; E758-K762 WeakPolarHBondContact OE1-CE 3.24Å; E758-K762 IonicContact OE1-NZ 3.27Å; E758-K762 PolarHBondContact OE1-NZ 3.13Å
759	A	86.6	Confident	85.3	Confident	6 Å²	6	47 Å²	47	5%	0.05	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-42.1	176.7	0	0	0	0	0	112.6	D755 V757 Q763 R904 L905	D755-A759 VanDerWaalsContact O-CB 3.3Å; D755-A759 WeakPolarHBondContact O-CB 3.39Å; D755-A759 PolarHBondContact O-N 2.92Å; V757-A759 VanDerWaalsContact C-N 3.33Å; V757-A759 PolarHBondContact O-N 3.26Å; A759-Q763 WeakPolarHBondContact O-CB 3.36Å; A759-Q763 PolarHBondContact O-N 3.14Å; A759-Q763 VanDerWaalsContact O-N 3.13Å; A759-R904 HydrophobicContact CB-CB 4.21Å; A759-L905 HydrophobicContact CB-CG 4.26Å
760	A	88.8	Confident	85.4	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.033	25%	0.249	C	C	.	.	H	α-helix	trans	-72.6	-42.3	179.4	0	0	0	0	0	112.8	Y756 V757 E758 K762 Q763 A764 I778 M780 V856	Y756-A760 WeakPolarHBondContact O-CB 3.44Å; Y756-A760 PolarHBondContact O-N 2.98Å; V757-A760 PolarHBondContact O-N 3.09Å; E758-A760 PolarHBondContact O-N 2.8Å; A760-K762 PolarHBondContact O-N 3.4Å; A760-Q763 PolarHBondContact O-N 3.06Å; A760-Q763 VanDerWaalsContact O-N 3.15Å; A760-A764 WeakPolarHBondContact O-CB 3.46Å; A760-A764 PolarHBondContact O-N 2.93Å; A760-I778 HydrophobicContact CB-CG2 4.18Å; A760-M780 HydrophobicContact CB-CE 3.29Å; A760-V856 HydrophobicContact CB-CG1 4.19Å
761	V	90.3	Very high	84.7	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-48.5	175.6	173.3	0	0	0	0	110.2	V757 Q763 A764 L765 T789 Q792 I793	V757-V761 HydrophobicContact CG1-CG2 4.44Å; V757-V761 WeakPolarHBondContact O-CG2 3.2Å; V757-V761 PolarHBondContact O-N 3.08Å; V761-Q763 VanDerWaalsContact C-N 3.27Å; V761-Q763 PolarHBondContact O-N 2.96Å; V761-A764 PolarHBondContact O-N 3.38Å; V761-L765 HydrophobicContact CG1-CD1 3.99Å; V761-L765 WeakPolarHBondContact O-CG 3.02Å; V761-L765 PolarHBondContact O-N 3.26Å; V761-T789 HydrophobicContact CG2-CG2 4.03Å; V761-Q792 HydrophobicContact CG1-CB 4.49Å; V761-Q792 HydrophobicContact CG2-CB 4.41Å; V761-I793 HydrophobicContact CB-CG1 4.43Å; V761-I793 HydrophobicContact CG1-CG1 4.01Å; V761-I793 HydrophobicContact CG2-CG1 4.13Å
762	K	89.3	Confident	84.2	Confident	106 Å²	106	42.2 Å²	42.2	46%	0.461	23%	0.23	S	C	.	.	H	α-helix	trans	-58	-37.2	174.8	-76.6	171.9	169.7	172.1	0	112.9	E758 A760 Q766	E758-K762 HydrophobicContact CG-CD 4.39Å; E758-K762 WeakPolarHBondContact O-CB 3.25Å; E758-K762 WeakPolarHBondContact O-CG 3.36Å; E758-K762 PolarHBondContact O-N 3.16Å; E758-K762 VanDerWaalsContact OE1-CE 3.24Å; E758-K762 WeakPolarHBondContact OE1-CE 3.24Å; E758-K762 IonicContact OE1-NZ 3.27Å; E758-K762 PolarHBondContact OE1-NZ 3.13Å; A760-K762 PolarHBondContact O-N 3.4Å; K762-Q766 WeakPolarHBondContact O-CB 3.46Å; K762-Q766 PolarHBondContact O-N 2.97Å
763	Q	87.8	Confident	84.1	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-73.2	-40.9	178.1	-167.4	59.5	38.6	0	0	112.4	A759 A760 V761 Q766 I767 V856 Y901	A759-Q763 WeakPolarHBondContact O-CB 3.36Å; A759-Q763 PolarHBondContact O-N 3.14Å; A759-Q763 VanDerWaalsContact O-N 3.13Å; A760-Q763 PolarHBondContact O-N 3.06Å; A760-Q763 VanDerWaalsContact O-N 3.15Å; V761-Q763 VanDerWaalsContact C-N 3.27Å; V761-Q763 PolarHBondContact O-N 2.96Å; Q763-Q766 PolarHBondContact O-N 2.95Å; Q763-I767 HydrophobicContact CG-CD1 3.96Å; Q763-I767 WeakPolarHBondContact O-CD1 3.41Å; Q763-I767 VanDerWaalsContact O-CG1 3.29Å; Q763-I767 WeakPolarHBondContact O-CG1 3.38Å; Q763-I767 PolarHBondContact O-N 3.46Å; Q763-V856 HydrophobicContact CB-CG1 4.46Å; Q763-V856 HydrophobicContact CG-CG1 4.5Å; Q763-V856 HydrophobicContact CG-CG2 4.23Å; Q763-Y901 HydrophobicContact CG-CD1 4.23Å; Q763-Y901 HydrophobicContact CG-CG 4.26Å
764	A	89.1	Confident	84.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-45.6	178.2	0	0	0	0	0	111.9	A760 V761 Q766 I767 H768 I778 I793	A760-A764 WeakPolarHBondContact O-CB 3.46Å; A760-A764 PolarHBondContact O-N 2.93Å; V761-A764 PolarHBondContact O-N 3.38Å; A764-Q766 VanDerWaalsContact C-N 3.34Å; A764-Q766 PolarHBondContact O-N 2.92Å; A764-I767 PolarHBondContact O-N 2.98Å; A764-H768 WeakPolarHBondContact O-CB 3.38Å; A764-H768 PolarHBondContact O-N 3.25Å; A764-I778 HydrophobicContact CB-CD1 3.71Å; A764-I793 HydrophobicContact CB-CD1 4.21Å
765	L	88.8	Confident	84.9	Confident	21 Å²	21	38.8 Å²	38.8	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-41.8	174.7	-65.2	168.6	0	0	0	111.5	V761 I767 H768 L769 R796 L797	V761-L765 HydrophobicContact CG1-CD1 3.99Å; V761-L765 WeakPolarHBondContact O-CG 3.02Å; V761-L765 PolarHBondContact O-N 3.26Å; L765-I767 PolarHBondContact O-N 3.2Å; L765-H768 PolarHBondContact O-N 3.34Å; L765-L769 WeakPolarHBondContact O-CB 3.46Å; L765-L769 WeakPolarHBondContact O-CG 3.46Å; L765-L769 PolarHBondContact O-N 2.76Å; L765-R796 HydrophobicContact CD1-CB 3.67Å; L765-R796 HydrophobicContact CD1-CG 4.42Å; L765-L797 HydrophobicContact CD2-CD2 3.81Å; L765-L797 HydrophobicContact CD2-CG 3.84Å
766	Q	88.1	Confident	85.1	Confident	99 Å²	99	37.8 Å²	37.8	46%	0.463	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-35.8	177.3	-174.8	176.2	-16.3	0	0	113.1	K762 Q763 A764 S770 R904	K762-Q766 WeakPolarHBondContact O-CB 3.46Å; K762-Q766 PolarHBondContact O-N 2.97Å; Q763-Q766 PolarHBondContact O-N 2.95Å; A764-Q766 VanDerWaalsContact C-N 3.34Å; A764-Q766 PolarHBondContact O-N 2.92Å; Q766-S770 WeakPolarHBondContact O-CB 3.47Å; Q766-S770 PolarHBondContact O-N 3.4Å; Q766-R904 VanDerWaalsContact OE1-CZ 3.3Å
767	I	87.3	Confident	85.3	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-74.6	-30	175.7	-65.8	161.9	0	0	0	111.6	Q763 A764 L765 S770 I776 R834 F854 V856 Y901	Q763-I767 HydrophobicContact CG-CD1 3.96Å; Q763-I767 WeakPolarHBondContact O-CD1 3.41Å; Q763-I767 VanDerWaalsContact O-CG1 3.29Å; Q763-I767 WeakPolarHBondContact O-CG1 3.38Å; Q763-I767 PolarHBondContact O-N 3.46Å; A764-I767 PolarHBondContact O-N 2.98Å; L765-I767 PolarHBondContact O-N 3.2Å; I767-S770 PolarHBondContact O-OG 3.03Å; I767-S770 VanDerWaalsContact O-OG 3.07Å; I767-I776 HydrophobicContact CB-CD1 4.09Å; I767-I776 HydrophobicContact CG2-CD1 3.77Å; I767-I776 HydrophobicContact CG2-CG1 3.97Å; I767-R834 PolarHBondContact O-NH1 2.88Å; I767-R834 PolarHBondContact O-NH2 2.88Å; I767-F854 HydrophobicContact CG2-CB 4.02Å; I767-F854 HydrophobicContact CG2-CD1 3.98Å; I767-F854 HydrophobicContact CG2-CD2 3.75Å; I767-F854 HydrophobicContact CG2-CE1 4.45Å; I767-F854 HydrophobicContact CG2-CE2 4.24Å; I767-F854 HydrophobicContact CG2-CG 3.61Å; I767-V856 HydrophobicContact CD1-CG2 3.85Å; I767-Y901 HydrophobicContact CD1-CD1 4.49Å; I767-Y901 HydrophobicContact CD1-CD2 3.47Å; I767-Y901 VanDerWaalsContact CD1-CD2 3.47Å; I767-Y901 HydrophobicContact CD1-CE2 3.59Å; I767-Y901 HydrophobicContact CD1-CG 3.97Å; I767-Y901 HydrophobicContact CG1-CD2 4.25Å; I767-Y901 HydrophobicContact CG1-CE2 3.86Å
768	H	85.2	Confident	85.4	Confident	5 Å²	5	37.7 Å²	37.7	2%	0.023	22%	0.218	C	C	.	.	H	α-helix	trans	-71.2	-50.2	175.5	-172.8	53.8	0	0	0	111.5	A764 L765 S770 G771 P804 R834	A764-H768 WeakPolarHBondContact O-CB 3.38Å; A764-H768 PolarHBondContact O-N 3.25Å; L765-H768 PolarHBondContact O-N 3.34Å; H768-S770 VanDerWaalsContact C-N 3.29Å; H768-S770 PolarHBondContact O-N 3.1Å; H768-G771 PolarHBondContact O-N 3.29Å; H768-P804 PolarHBondContact NE2-O 2.8Å; H768-R834 PolarHBondContact ND1-NE 3.39Å; H768-R834 PolarHBondContact O-NH2 3.33Å
769	L	85.9	Confident	85.6	Confident	98 Å²	98	34.4 Å²	34.4	51%	0.513	20%	0.202	S	C	.	.	H	α-helix	trans	-70.4	-18.2	-179.4	-64.6	172.3	0	0	0	113.9	L765 G771 L800	L765-L769 WeakPolarHBondContact O-CB 3.46Å; L765-L769 WeakPolarHBondContact O-CG 3.46Å; L765-L769 PolarHBondContact O-N 2.76Å; L769-G771 PolarHBondContact O-N 3.3Å; L769-L800 HydrophobicContact CD1-CD1 4.19Å
770	S	81.3	Confident	85.8	Confident	62 Å²	62	34.2 Å²	34.2	43%	0.434	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-1.4	176.4	70.2	0	0	0	0	114.6	Q766 I767 H768 M772	Q766-S770 WeakPolarHBondContact O-CB 3.47Å; Q766-S770 PolarHBondContact O-N 3.4Å; I767-S770 PolarHBondContact O-OG 3.03Å; I767-S770 VanDerWaalsContact O-OG 3.07Å; H768-S770 VanDerWaalsContact C-N 3.29Å; H768-S770 PolarHBondContact O-N 3.1Å; S770-M772 PolarHBondContact O-N 2.85Å
771	G	66.8	Low	85.8	Confident	58 Å²	58	34.2 Å²	34.2	60%	0.598	20%	0.2	S	C	*	.			trans	71	-2.6	173.5	0	0	0	0	0	116.3	H768 L769 V773	H768-G771 PolarHBondContact O-N 3.29Å; L769-G771 PolarHBondContact O-N 3.3Å; G771-V773 PolarHBondContact O-N 3.34Å
772	M	71.3	Confident	85.7	Confident	78 Å²	78	34.5 Å²	34.5	38%	0.384	20%	0.203	S	C	.	.			trans	-68.3	128.7	-179.2	-58.4	176.5	67.9	0	0	111.5	S770 R834 F854	S770-M772 PolarHBondContact O-N 2.85Å; M772-R834 VanDerWaalsContact O-CZ 3.22Å; M772-R834 PolarHBondContact O-NH1 3.46Å; M772-R834 PolarHBondContact O-NH2 3.09Å; M772-F854 HydrophobicContact CB-CE1 4.4Å; M772-F854 HydrophobicContact CB-CE2 4.29Å; M772-F854 HydrophobicContact CB-CZ 3.59Å; M772-F854 HydrophobicContact CE-CE1 3.98Å; M772-F854 HydrophobicContact CE-CZ 4.12Å; M772-F854 HydrophobicContact SD-CE1 4.34Å; M772-F854 HydrophobicContact SD-CZ 4.43Å
773	V	78.2	Confident	85.6	Confident	132 Å²	132	32.1 Å²	32.1	80%	0.8	19%	0.194	S	C	*	.			trans	-71.5	134.8	-177.3	-64.1	0	0	0	0	112.7	G771	G771-V773 PolarHBondContact O-N 3.34Å
774	G	81.4	Confident	85.4	Confident	19 Å²	19	36 Å²	36	20%	0.196	21%	0.212	C	C	.	.	S	Bend	trans	137.7	151.1	176.2	0	0	0	0	0	113.5	R834	G774-R834 WeakPolarHBondContact O-CD 2.92Å; G774-R834 WeakPolarHBondContact O-CG 3.45Å
775	D	87.4	Confident	85.4	Confident	25 Å²	25	36.1 Å²	36.1	13%	0.134	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	152.3	-179.9	-71.5	-24.5	0	0	0	111.8	K835 G851 M853 F854	D775-K835 HydrophobicContact CB-CB 4.21Å; D775-K835 WeakPolarHBondContact OD1-CB 3.34Å; D775-K835 PolarHBondContact OD1-N 2.8Å; D775-G851 PolarHBondContact N-O 3.29Å; D775-M853 PolarHBondContact O-N 3.24Å; D775-M853 VanDerWaalsContact O-N 3.1Å; D775-F854 PolarHBondContact O-N 2.9Å
776	I	89.3	Confident	85.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.1	-178.3	-54	172.3	0	0	0	109.6	I767 I778 K835 I837 F854 V856	I767-I776 HydrophobicContact CB-CD1 4.09Å; I767-I776 HydrophobicContact CG2-CD1 3.77Å; I767-I776 HydrophobicContact CG2-CG1 3.97Å; I776-I778 HydrophobicContact CG2-CG1 4.04Å; I776-K835 PolarHBondContact N-O 3.14Å; I776-I837 PolarHBondContact O-N 2.69Å; I776-F854 CarbonylContact C-O 3.57Å; I776-F854 WeakPolarHBondContact CA-O 3.5Å; I776-F854 HydrophobicContact CG1-CB 4.17Å; I776-F854 HydrophobicContact CG1-CD2 4.29Å; I776-V856 HydrophobicContact CG2-CG2 4.32Å
777	L	90.6	Very high	85.6	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.3	168.3	176.8	65.1	0	0	0	110.1	F779 I837 A839 A843 I852 F854 V855 V856 R891	L777-F779 HydrophobicContact CD2-CE2 3.65Å; L777-F779 HydrophobicContact CD2-CZ 3.64Å; L777-F779 HydrophobicContact CG-CE2 4.07Å; L777-F779 HydrophobicContact CG-CZ 4.33Å; L777-I837 CarbonylContact C-O 3.46Å; L777-I837 WeakPolarHBondContact CA-O 3.48Å; L777-I837 HydrophobicContact CD1-CB 3.95Å; L777-I837 HydrophobicContact CD1-CG2 3.75Å; L777-A839 HydrophobicContact CD1-CB 3.71Å; L777-A843 HydrophobicContact CD1-CB 4.12Å; L777-A843 HydrophobicContact CD2-CB 4.06Å; L777-I852 HydrophobicContact CB-CD1 3.95Å; L777-I852 HydrophobicContact CB-CG1 4.32Å; L777-I852 HydrophobicContact CB-CG2 3.9Å; L777-I852 HydrophobicContact CD2-CD1 3.9Å; L777-I852 HydrophobicContact CG-CD1 4.38Å; L777-F854 PolarHBondContact N-O 2.94Å; L777-V855 HydrophobicContact CB-CG2 4.46Å; L777-V855 CarbonylContact O-C 3.33Å; L777-V855 WeakPolarHBondContact O-CA 3.44Å; L777-V856 PolarHBondContact O-N 3.1Å; L777-R891 HydrophobicContact CD2-CB 4.27Å; L777-R891 HydrophobicContact CD2-CG 4.32Å
778	I	91.7	Very high	85.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.1	176.1	-48.9	-177.3	0	0	0	109.2	A760 A764 I776 M780 T789 I793 I837 V838 A839 V856	A760-I778 HydrophobicContact CB-CG2 4.18Å; A764-I778 HydrophobicContact CB-CD1 3.71Å; I776-I778 HydrophobicContact CG2-CG1 4.04Å; I778-M780 HydrophobicContact CG2-CE 4Å; I778-M780 HydrophobicContact CG2-CG 4.25Å; I778-T789 HydrophobicContact CD1-CG2 4.39Å; I778-I793 HydrophobicContact CD1-CD1 3.85Å; I778-I837 PolarHBondContact N-O 3.27Å; I778-V838 HydrophobicContact CB-CG1 4.32Å; I778-V838 HydrophobicContact CD1-CG2 4.34Å; I778-A839 PolarHBondContact O-N 3.03Å; I778-V856 CarbonylContact C-O 3.4Å; I778-V856 WeakPolarHBondContact CA-O 3.19Å; I778-V856 HydrophobicContact CB-CB 4.48Å; I778-V856 HydrophobicContact CG1-CB 4.24Å; I778-V856 HydrophobicContact CG2-CB 4.28Å; I778-V856 HydrophobicContact CG2-CG1 4.36Å
779	F	91.8	Very high	85.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.9	171.6	-73.7	-82.5	0	0	0	111.5	L777 A839 A843 E844 V855 V856 S858 R888 R891	L777-F779 HydrophobicContact CD2-CE2 3.65Å; L777-F779 HydrophobicContact CD2-CZ 3.64Å; L777-F779 HydrophobicContact CG-CE2 4.07Å; L777-F779 HydrophobicContact CG-CZ 4.33Å; F779-A839 CarbonylContact C-O 3.59Å; F779-A839 WeakPolarHBondContact CA-O 3.39Å; F779-A843 HydrophobicContact CE1-CB 3.91Å; F779-A843 HydrophobicContact CZ-CB 4.18Å; F779-E844 HydrophobicContact CE1-CB 4.03Å; F779-E844 HydrophobicContact CZ-CB 4.5Å; F779-V855 HydrophobicContact CD2-CG1 3.96Å; F779-V855 HydrophobicContact CE2-CG1 3.84Å; F779-V856 PolarHBondContact N-O 3.28Å; F779-S858 VanDerWaalsContact O-CB 3.22Å; F779-S858 WeakPolarHBondContact O-CB 3.39Å; F779-S858 PolarHBondContact O-N 2.98Å; F779-S858 PolarHBondContact O-OG 2.85Å; F779-R888 HydrophobicContact CD1-CG 4.25Å; F779-R888 HydrophobicContact CD2-CB 4.04Å; F779-R888 HydrophobicContact CD2-CG 3.88Å; F779-R888 HydrophobicContact CE1-CG 4.07Å; F779-R888 HydrophobicContact CE2-CB 3.71Å; F779-R888 HydrophobicContact CE2-CG 3.68Å; F779-R888 HydrophobicContact CG-CG 4.15Å; F779-R888 HydrophobicContact CZ-CB 4.19Å; F779-R888 HydrophobicContact CZ-CG 3.79Å; F779-R891 HydrophobicContact CZ-CG 4.25Å
780	M	91.6	Very high	86.2	Confident	1 Å²	1	28 Å²	28	1%	0.005	17%	0.173	C	C	.	.			trans	-128.6	148.3	179.1	-79.4	-63	170.1	0	0	111.8	Y756 V757 A760 I778 G782 D785 I786 T789 V838 A839	Y756-M780 HydrophobicContact CD2-SD 4.07Å; Y756-M780 HydrophobicContact CE2-SD 4.45Å; V757-M780 HydrophobicContact CG2-CE 4.46Å; V757-M780 HydrophobicContact CG2-SD 4.31Å; A760-M780 HydrophobicContact CB-CE 3.29Å; I778-M780 HydrophobicContact CG2-CE 4Å; I778-M780 HydrophobicContact CG2-CG 4.25Å; M780-G782 PolarHBondContact O-N 3.06Å; M780-D785 HydrophobicContact CB-CB 4.41Å; M780-I786 HydrophobicContact CB-CD1 4.44Å; M780-I786 HydrophobicContact CB-CG1 3.6Å; M780-I786 HydrophobicContact CG-CG1 4.45Å; M780-T789 HydrophobicContact CE-CG2 4.17Å; M780-V838 HydrophobicContact CB-CG1 4.48Å; M780-V838 HydrophobicContact CG-CG1 3.99Å; M780-A839 PolarHBondContact N-O 3.05Å
781	P	88.9	Confident	86.5	Confident	5 Å²	5	28.4 Å²	28.4	3%	0.032	17%	0.17	C	C	.	.	S	Bend	trans	-76.1	-16.8	-168.1	28.6	-34.8	0	0	0	114.9	Y756 D785 K862 V877	Y756-P781 HydrophobicContact CE2-CG 3.73Å; P781-D785 HydrophobicContact CG-CB 4.24Å; P781-K862 HydrophobicContact CB-CG 4.3Å; P781-K862 WeakPolarHBondContact O-CB 3.23Å; P781-K862 VanDerWaalsContact O-CD 3.24Å; P781-K862 WeakPolarHBondContact O-CD 3.49Å; P781-K862 WeakPolarHBondContact O-CG 3.35Å; P781-V877 HydrophobicContact CB-CG1 4.15Å
782	G	88	Confident	87.6	Confident	7 Å²	7	26.4 Å²	26.4	7%	0.072	15%	0.145	C	C	.	.	S	Bend	trans	-171.3	-179.6	177.7	0	0	0	0	0	115.1	M780 D785 I786	M780-G782 PolarHBondContact O-N 3.06Å; G782-D785 WeakPolarHBondContact CA-OD2 3.3Å; G782-D785 PolarHBondContact N-OD2 3.5Å; G782-D785 WeakPolarHBondContact O-CB 3.37Å; G782-D785 PolarHBondContact O-N 2.86Å; G782-I786 VanDerWaalsContact O-CG1 3.26Å; G782-I786 WeakPolarHBondContact O-CG1 3.48Å; G782-I786 PolarHBondContact O-N 2.75Å
783	Q	86.3	Confident	88.5	Confident	56 Å²	56	22.7 Å²	22.7	26%	0.262	13%	0.127	S	C	.	.	H	α-helix	trans	-61.4	-47.7	-172.5	177.1	179.9	-6.7	0	0	113.8	D785 I786 E787 Y812	Q783-D785 VanDerWaalsContact C-N 3.29Å; Q783-D785 PolarHBondContact O-N 3.14Å; Q783-I786 PolarHBondContact O-N 3.02Å; Q783-I786 VanDerWaalsContact O-N 3.15Å; Q783-E787 HydrophobicContact CG-CG 4.38Å; Q783-E787 WeakPolarHBondContact CG-OE1 3.47Å; Q783-E787 PolarHBondContact NE2-OE1 2.8Å; Q783-E787 PolarHBondContact O-N 3.33Å; Q783-Y812 HydrophobicContact CB-CD1 4.48Å; Q783-Y812 HydrophobicContact CB-CD2 4.2Å; Q783-Y812 HydrophobicContact CB-CE2 4.47Å; Q783-Y812 HydrophobicContact CB-CG 4.21Å; Q783-Y812 HydrophobicContact CG-CD1 4.15Å; Q783-Y812 HydrophobicContact CG-CD2 3.99Å; Q783-Y812 HydrophobicContact CG-CE1 3.93Å; Q783-Y812 HydrophobicContact CG-CE2 3.76Å; Q783-Y812 HydrophobicContact CG-CG 4.18Å; Q783-Y812 PolarHBondContact NE2-OH 3.17Å
784	E	85.3	Confident	89	Confident	84 Å²	84	19.2 Å²	19.2	39%	0.393	11%	0.106	S	C	.	.	H	α-helix	trans	-60.6	-42.1	179.8	-170.1	176.6	-166.6	0	0	110.7	V481 I786 E787 V788	V481-E784 HydrophobicContact CG1-CG 3.85Å; E784-I786 PolarHBondContact O-N 2.64Å; E784-E787 PolarHBondContact O-N 2.97Å; E784-V788 VanDerWaalsContact O-CG2 3.23Å; E784-V788 WeakPolarHBondContact O-CG2 3.28Å; E784-V788 PolarHBondContact O-N 2.9Å
785	D	88.7	Confident	89.4	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-42.3	174.7	-42.2	-100.5	0	0	0	111.5	Y756 M780 P781 G782 Q783 T789 K862	Y756-D785 HydrophobicContact CE2-CB 4.42Å; Y756-D785 WeakPolarHBondContact CE2-OD1 3.22Å; Y756-D785 PolarHBondContact OH-OD1 3.24Å; M780-D785 HydrophobicContact CB-CB 4.41Å; P781-D785 HydrophobicContact CG-CB 4.24Å; G782-D785 WeakPolarHBondContact CA-OD2 3.3Å; G782-D785 PolarHBondContact N-OD2 3.5Å; G782-D785 WeakPolarHBondContact O-CB 3.37Å; G782-D785 PolarHBondContact O-N 2.86Å; Q783-D785 VanDerWaalsContact C-N 3.29Å; Q783-D785 PolarHBondContact O-N 3.14Å; D785-T789 WeakPolarHBondContact O-CB 3.36Å; D785-T789 PolarHBondContact O-N 3.45Å; D785-T789 PolarHBondContact O-OG1 3.01Å; D785-K862 WeakPolarHBondContact OD2-CE 3.43Å; D785-K862 IonicContact OD2-NZ 2.67Å; D785-K862 PolarHBondContact OD2-NZ 3.21Å
786	I	90.4	Very high	89.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.9	-44.6	178.2	-72.8	166.6	0	0	0	112.4	M780 G782 Q783 E784 T789 S790 P810 Y812 V838 T840	M780-I786 HydrophobicContact CB-CD1 4.44Å; M780-I786 HydrophobicContact CB-CG1 3.6Å; M780-I786 HydrophobicContact CG-CG1 4.45Å; G782-I786 VanDerWaalsContact O-CG1 3.26Å; G782-I786 WeakPolarHBondContact O-CG1 3.48Å; G782-I786 PolarHBondContact O-N 2.75Å; Q783-I786 PolarHBondContact O-N 3.02Å; Q783-I786 VanDerWaalsContact O-N 3.15Å; E784-I786 PolarHBondContact O-N 2.64Å; I786-T789 PolarHBondContact O-N 3.19Å; I786-S790 WeakPolarHBondContact O-CB 3.35Å; I786-S790 PolarHBondContact O-N 2.83Å; I786-S790 PolarHBondContact O-OG 3.1Å; I786-P810 HydrophobicContact CG2-CB 3.41Å; I786-P810 VanDerWaalsContact CG2-CB 3.41Å; I786-Y812 HydrophobicContact CD1-CD1 4.44Å; I786-Y812 HydrophobicContact CG2-CD1 4.23Å; I786-V838 HydrophobicContact CB-CG1 4.32Å; I786-V838 HydrophobicContact CG1-CG1 4.08Å; I786-V838 HydrophobicContact CG2-CB 4.18Å; I786-V838 HydrophobicContact CG2-CG1 4.11Å; I786-T840 HydrophobicContact CD1-CG2 3.46Å; I786-T840 VanDerWaalsContact CD1-CG2 3.46Å
787	E	89	Confident	89.1	Confident	36 Å²	36	26.7 Å²	26.7	17%	0.168	13%	0.133	C	C	.	.	H	α-helix	trans	-62.5	-50.8	177.3	-72.9	-180	-162.9	0	0	110.1	Q783 E784 T789 S790 D791 K1025	Q783-E787 HydrophobicContact CG-CG 4.38Å; Q783-E787 WeakPolarHBondContact CG-OE1 3.47Å; Q783-E787 PolarHBondContact NE2-OE1 2.8Å; Q783-E787 PolarHBondContact O-N 3.33Å; E784-E787 PolarHBondContact O-N 2.97Å; E787-T789 VanDerWaalsContact C-N 3.3Å; E787-T789 PolarHBondContact O-N 2.97Å; E787-S790 PolarHBondContact O-N 3.42Å; E787-D791 VanDerWaalsContact O-CG 3.24Å; E787-D791 PolarHBondContact O-N 3.34Å; E787-K1025 IonicContact OE1-NZ 2.62Å; E787-K1025 PolarHBondContact OE1-NZ 2.91Å; E787-K1025 IonicContact OE2-NZ 2.73Å; E787-K1025 PolarHBondContact OE2-NZ 2.91Å
788	V	90.3	Very high	88.8	Confident	6 Å²	6	34 Å²	34	4%	0.036	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-39.7	177.8	178	0	0	0	0	111.9	V481 H484 V757 E784 S790 Q792	V481-V788 HydrophobicContact CB-CG2 4.5Å; V481-V788 HydrophobicContact CG1-CG2 4.3Å; V481-V788 HydrophobicContact CG2-CB 4.15Å; V481-V788 HydrophobicContact CG2-CG1 4.13Å; V481-V788 HydrophobicContact CG2-CG2 4.17Å; H484-V788 HydrophobicContact CB-CG1 4.26Å; H484-V788 HydrophobicContact CB-CG2 4.26Å; V757-V788 HydrophobicContact CG1-CG1 4.2Å; E784-V788 VanDerWaalsContact O-CG2 3.23Å; E784-V788 WeakPolarHBondContact O-CG2 3.28Å; E784-V788 PolarHBondContact O-N 2.9Å; V788-S790 VanDerWaalsContact C-N 3.33Å; V788-Q792 WeakPolarHBondContact O-CB 3.41Å; V788-Q792 PolarHBondContact O-N 3.05Å; V788-Q792 VanDerWaalsContact O-N 3.1Å
789	T	90.6	Very high	88.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-40.7	174.6	-56.1	0	0	0	0	111.5	V757 V761 I778 M780 D785 I786 E787 I793 V838	V757-T789 WeakPolarHBondContact CG1-OG1 3.34Å; V761-T789 HydrophobicContact CG2-CG2 4.03Å; I778-T789 HydrophobicContact CD1-CG2 4.39Å; M780-T789 HydrophobicContact CE-CG2 4.17Å; D785-T789 WeakPolarHBondContact O-CB 3.36Å; D785-T789 PolarHBondContact O-N 3.45Å; D785-T789 PolarHBondContact O-OG1 3.01Å; I786-T789 PolarHBondContact O-N 3.19Å; E787-T789 VanDerWaalsContact C-N 3.3Å; E787-T789 PolarHBondContact O-N 2.97Å; T789-I793 HydrophobicContact CG2-CD1 3.91Å; T789-I793 WeakPolarHBondContact O-CD1 3.45Å; T789-I793 VanDerWaalsContact O-CG1 3.23Å; T789-I793 WeakPolarHBondContact O-CG1 3.46Å; T789-I793 PolarHBondContact O-N 3.26Å; T789-I793 VanDerWaalsContact O-N 3.12Å; T789-V838 HydrophobicContact CG2-CG1 3.78Å; T789-V838 HydrophobicContact CG2-CG2 4.34Å
790	S	90.2	Very high	87.9	Confident	11 Å²	11	42.8 Å²	42.8	8%	0.077	21%	0.213	C	C	.	.	H	α-helix	trans	-71.3	-48.7	-177.7	-55.5	0	0	0	0	111.2	I786 E787 V788 Q792 I793 V794	I786-S790 WeakPolarHBondContact O-CB 3.35Å; I786-S790 PolarHBondContact O-N 2.83Å; I786-S790 PolarHBondContact O-OG 3.1Å; E787-S790 PolarHBondContact O-N 3.42Å; V788-S790 VanDerWaalsContact C-N 3.33Å; S790-Q792 VanDerWaalsContact C-N 3.33Å; S790-Q792 PolarHBondContact O-N 3.01Å; S790-I793 PolarHBondContact O-N 3.14Å; S790-V794 PolarHBondContact O-N 2.88Å
791	D	89.5	Confident	86.6	Confident	70 Å²	70	51.5 Å²	51.5	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-56.3	-46.1	177.9	-64.3	-9.4	0	0	0	110.5	H484 E787 V794 E795	H484-D791 IonicContact CE1-OD2 3.19Å; H484-D791 PolarHBondContact CE1-OD2 2.77Å; E787-D791 VanDerWaalsContact O-CG 3.24Å; E787-D791 PolarHBondContact O-N 3.34Å; D791-V794 PolarHBondContact O-N 2.79Å; D791-E795 PolarHBondContact O-N 3.23Å
792	Q	90	Very high	85.5	Confident	16 Å²	16	59.1 Å²	59.1	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-77.6	-20	179.9	-71.5	-160.5	27.1	0	0	115.5	V761 V788 S790 V794 R796	V761-Q792 HydrophobicContact CG1-CB 4.49Å; V761-Q792 HydrophobicContact CG2-CB 4.41Å; V788-Q792 WeakPolarHBondContact O-CB 3.41Å; V788-Q792 PolarHBondContact O-N 3.05Å; V788-Q792 VanDerWaalsContact O-N 3.1Å; S790-Q792 VanDerWaalsContact C-N 3.33Å; S790-Q792 PolarHBondContact O-N 3.01Å; Q792-V794 VanDerWaalsContact C-N 3.33Å; Q792-R796 VanDerWaalsContact O-CB 3.3Å; Q792-R796 WeakPolarHBondContact O-CB 3.5Å; Q792-R796 WeakPolarHBondContact O-CG 3.49Å; Q792-R796 PolarHBondContact O-N 3.39Å
793	I	89.8	Confident	84.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-70.2	-36.6	168.3	-71.6	166.6	0	0	0	109.7	V761 A764 I778 T789 S790 L797 L806 V808	V761-I793 HydrophobicContact CB-CG1 4.43Å; V761-I793 HydrophobicContact CG1-CG1 4.01Å; V761-I793 HydrophobicContact CG2-CG1 4.13Å; A764-I793 HydrophobicContact CB-CD1 4.21Å; I778-I793 HydrophobicContact CD1-CD1 3.85Å; T789-I793 HydrophobicContact CG2-CD1 3.91Å; T789-I793 WeakPolarHBondContact O-CD1 3.45Å; T789-I793 VanDerWaalsContact O-CG1 3.23Å; T789-I793 WeakPolarHBondContact O-CG1 3.46Å; T789-I793 PolarHBondContact O-N 3.26Å; T789-I793 VanDerWaalsContact O-N 3.12Å; S790-I793 PolarHBondContact O-N 3.14Å; I793-L797 HydrophobicContact CG2-CD1 3.93Å; I793-L797 WeakPolarHBondContact O-CB 3.39Å; I793-L797 WeakPolarHBondContact O-CD1 3.41Å; I793-L797 WeakPolarHBondContact O-CG 3.32Å; I793-L797 PolarHBondContact O-N 2.86Å; I793-L806 HydrophobicContact CG2-CD2 3.81Å; I793-V808 HydrophobicContact CB-CG2 4.23Å; I793-V808 HydrophobicContact CG2-CG2 3.58Å
794	V	88.8	Confident	83.9	Confident	60 Å²	60	60.9 Å²	60.9	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-70.4	-52.7	176.6	176.9	0	0	0	0	111	S790 D791 Q792 R796 L797 E798 V808	S790-V794 PolarHBondContact O-N 2.88Å; D791-V794 PolarHBondContact O-N 2.79Å; Q792-V794 VanDerWaalsContact C-N 3.33Å; V794-R796 VanDerWaalsContact C-N 3.27Å; V794-R796 PolarHBondContact O-N 2.87Å; V794-L797 PolarHBondContact O-N 3.38Å; V794-E798 HydrophobicContact CG1-CG 4.46Å; V794-E798 WeakPolarHBondContact CG1-OE1 3.27Å; V794-E798 PolarHBondContact O-N 2.9Å; V794-V808 HydrophobicContact CG2-CG2 4.2Å
795	E	88.6	Confident	83.5	Confident	95 Å²	95	60.7 Å²	60.7	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-49.5	-47.2	176.8	-176.1	-173.8	-120.1	0	0	111.6	D791 L797 E798 D799	D791-E795 PolarHBondContact O-N 3.23Å; E795-L797 VanDerWaalsContact C-N 3.31Å; E795-L797 PolarHBondContact O-N 3.01Å; E795-E798 PolarHBondContact O-N 3.47Å; E795-D799 PolarHBondContact O-N 3.33Å
796	R	86.2	Confident	83.3	Confident	79 Å²	79	61.7 Å²	61.7	30%	0.298	32%	0.323	S	S	.	.	H	α-helix	trans	-80.4	-3.9	-178.9	-60.6	-69	164	54.5	33.5	115.1	L765 Q792 V794 D799 L800	L765-R796 HydrophobicContact CD1-CB 3.67Å; L765-R796 HydrophobicContact CD1-CG 4.42Å; Q792-R796 VanDerWaalsContact O-CB 3.3Å; Q792-R796 WeakPolarHBondContact O-CB 3.5Å; Q792-R796 WeakPolarHBondContact O-CG 3.49Å; Q792-R796 PolarHBondContact O-N 3.39Å; V794-R796 VanDerWaalsContact C-N 3.27Å; V794-R796 PolarHBondContact O-N 2.87Å; R796-D799 WeakPolarHBondContact CD-OD2 3.46Å; R796-D799 IonicContact NE-OD2 3.28Å; R796-L800 WeakPolarHBondContact O-CD1 3.29Å; R796-L800 VanDerWaalsContact O-CG 3.3Å; R796-L800 WeakPolarHBondContact O-CG 3.46Å
797	L	84.4	Confident	83	Confident	27 Å²	27	63.4 Å²	63.4	14%	0.141	34%	0.338	C	S	.	.	H	α-helix	trans	-93.9	-32.6	166.8	-75.6	167.4	0	0	0	110.9	L765 I793 V794 E795 D799 L800 A803 L806	L765-L797 HydrophobicContact CD2-CD2 3.81Å; L765-L797 HydrophobicContact CD2-CG 3.84Å; I793-L797 HydrophobicContact CG2-CD1 3.93Å; I793-L797 WeakPolarHBondContact O-CB 3.39Å; I793-L797 WeakPolarHBondContact O-CD1 3.41Å; I793-L797 WeakPolarHBondContact O-CG 3.32Å; I793-L797 PolarHBondContact O-N 2.86Å; V794-L797 PolarHBondContact O-N 3.38Å; E795-L797 VanDerWaalsContact C-N 3.31Å; E795-L797 PolarHBondContact O-N 3.01Å; L797-D799 VanDerWaalsContact C-N 3.33Å; L797-L800 PolarHBondContact O-N 3.48Å; L797-A803 HydrophobicContact CD2-CB 4.03Å; L797-L806 HydrophobicContact CD1-CB 3.78Å; L797-L806 HydrophobicContact CD1-CD2 3.86Å; L797-L806 HydrophobicContact CD1-CG 4.43Å
798	E	84.6	Confident	83	Confident	156 Å²	156	63 Å²	63	73%	0.729	34%	0.338	S	S	*	.	H	α-helix	trans	-67.5	-34.3	171.8	-67.7	173.9	179.9	0	0	111.5	V794 E795 L800	V794-E798 HydrophobicContact CG1-CG 4.46Å; V794-E798 WeakPolarHBondContact CG1-OE1 3.27Å; V794-E798 PolarHBondContact O-N 2.9Å; E795-E798 PolarHBondContact O-N 3.47Å; E798-L800 PolarHBondContact O-N 3.44Å
799	D	84.1	Confident	82.9	Confident	115 Å²	115	64.6 Å²	64.6	62%	0.615	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.9	169.5	-77	-28.7	0	0	0	114.6	E795 R796 L797	E795-D799 PolarHBondContact O-N 3.33Å; R796-D799 WeakPolarHBondContact CD-OD2 3.46Å; R796-D799 IonicContact NE-OD2 3.28Å; L797-D799 VanDerWaalsContact C-N 3.33Å
800	L	79.9	Confident	82.8	Confident	70 Å²	70	66.6 Å²	66.6	37%	0.366	36%	0.359	S	S	.	.	S	Bend	trans	-114.7	103	-169	-73	177.2	0	0	0	113.5	L769 R796 L797 E798 N802 A803	L769-L800 HydrophobicContact CD1-CD1 4.19Å; R796-L800 WeakPolarHBondContact O-CD1 3.29Å; R796-L800 VanDerWaalsContact O-CG 3.3Å; R796-L800 WeakPolarHBondContact O-CG 3.46Å; L797-L800 PolarHBondContact O-N 3.48Å; E798-L800 PolarHBondContact O-N 3.44Å; L800-N802 PolarHBondContact O-N 3.4Å; L800-A803 HydrophobicContact CB-CB 4.07Å; L800-A803 PolarHBondContact O-N 2.83Å
801	E	64.3	Low	82.5	Confident	185 Å²	185	66.3 Å²	66.3	86%	0.864	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	131.7	171.4	-63.4	-176.3	177.9	0	0	112	A803	E801-A803 VanDerWaalsContact C-N 3.34Å; E801-A803 PolarHBondContact O-N 3.34Å
802	N	65.8	Low	82.2	Confident	164 Å²	164	64.5 Å²	64.5	88%	0.877	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	23	-179.8	-56.2	-67.5	0	0	0	116.7	L800	L800-N802 PolarHBondContact O-N 3.4Å
803	A	67.6	Low	81.4	Confident	31 Å²	31	68.3 Å²	68.3	26%	0.256	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-66	136.9	169.8	0	0	0	0	0	112.3	L797 L800 E801	L797-A803 HydrophobicContact CD2-CB 4.03Å; L800-A803 HydrophobicContact CB-CB 4.07Å; L800-A803 PolarHBondContact O-N 2.83Å; E801-A803 VanDerWaalsContact C-N 3.34Å; E801-A803 PolarHBondContact O-N 3.34Å
804	P	73.4	Confident	80.5	Confident	70 Å²	70	75.8 Å²	75.8	46%	0.455	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-63.3	149.5	170.7	-20.1	32	0	0	0	111.4	H768	H768-P804 PolarHBondContact NE2-O 2.8Å
805	P	77.9	Confident	79.7	Confident	80 Å²	80	73.6 Å²	73.6	52%	0.519	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-63	139.5	177.9	26.5	-35.3	0	0	0	112	V833	P805-V833 HydrophobicContact CB-CG1 4.06Å; P805-V833 HydrophobicContact CB-CG2 4.33Å; P805-V833 HydrophobicContact CG-CG1 4.32Å; P805-V833 HydrophobicContact CG-CG2 3.96Å
806	L	83.1	Confident	78.7	Confident	25 Å²	25	72.4 Å²	72.4	13%	0.131	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.9	177.2	-173.9	69.2	0	0	0	110.5	I793 L797 V808 R834 C836	I793-L806 HydrophobicContact CG2-CD2 3.81Å; L797-L806 HydrophobicContact CD1-CB 3.78Å; L797-L806 HydrophobicContact CD1-CD2 3.86Å; L797-L806 HydrophobicContact CD1-CG 4.43Å; L806-V808 HydrophobicContact CD2-CG2 4.35Å; L806-V808 HydrophobicContact CG-CG2 4.48Å; L806-V808 PolarHBondContact O-N 3.1Å; L806-R834 HydrophobicContact CD1-CB 3.92Å; L806-R834 HydrophobicContact CD1-CG 4.14Å; L806-C836 HydrophobicContact CD1-CB 3.97Å; L806-C836 HydrophobicContact CD2-CB 3.83Å; L806-C836 HydrophobicContact CG-CB 3.95Å
807	A	85.3	Confident	77.7	Confident	36 Å²	36	71.5 Å²	71.5	30%	0.298	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	97.7	176.3	0	0	0	0	0	110.8	V833 R834 K835 C836	A807-V833 HydrophobicContact CB-CG1 4.23Å; A807-R834 PolarHBondContact N-O 3.14Å; A807-K835 WeakPolarHBondContact O-CA 3.24Å; A807-C836 PolarHBondContact O-N 3.18Å
808	V	88.1	Confident	76.9	Confident	28 Å²	28	74.6 Å²	74.6	17%	0.17	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.1	176	-171.9	0	0	0	0	110.5	I793 V794 L806 C836 V838	I793-V808 HydrophobicContact CB-CG2 4.23Å; I793-V808 HydrophobicContact CG2-CG2 3.58Å; V794-V808 HydrophobicContact CG2-CG2 4.2Å; L806-V808 HydrophobicContact CD2-CG2 4.35Å; L806-V808 HydrophobicContact CG-CG2 4.48Å; L806-V808 PolarHBondContact O-N 3.1Å; V808-C836 CarbonylContact C-O 3.5Å; V808-C836 WeakPolarHBondContact CA-O 3.19Å; V808-V838 HydrophobicContact CG1-CG2 4.2Å
809	L	88.3	Confident	76.2	Confident	38 Å²	38	70.6 Å²	70.6	20%	0.199	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	102.2	-173.3	-65.7	176.4	0	0	0	111.5	I823 K835 C836 I837 V838	L809-I823 HydrophobicContact CB-CG1 4.4Å; L809-I823 HydrophobicContact CD1-CG1 4.32Å; L809-K835 HydrophobicContact CD1-CD 4.27Å; L809-K835 HydrophobicContact CD1-CG 4.49Å; L809-C836 PolarHBondContact N-O 3.34Å; L809-I837 HydrophobicContact CB-CG1 4.5Å; L809-I837 WeakPolarHBondContact O-CA 3.09Å; L809-V838 PolarHBondContact O-N 3.08Å
810	P	88.6	Confident	75.5	Confident	43 Å²	43	67.5 Å²	67.5	28%	0.279	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	145.1	176.4	29.9	-34.7	0	0	0	112.5	I786 Y812 L815 V838	I786-P810 HydrophobicContact CG2-CB 3.41Å; I786-P810 VanDerWaalsContact CG2-CB 3.41Å; P810-Y812 HydrophobicContact CB-CE1 4.42Å; P810-L815 VanDerWaalsContact O-CD2 3.28Å; P810-L815 WeakPolarHBondContact O-CD2 3.09Å; P810-V838 CarbonylContact C-O 3.49Å; P810-V838 WeakPolarHBondContact CA-O 3.3Å
811	I	84.8	Confident	75	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.026	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	119.2	172.4	-177.8	173.3	0	0	0	113.7	I823 I837 V838 A839 T840 I842 L847	I811-I823 HydrophobicContact CB-CD1 3.69Å; I811-I823 HydrophobicContact CD1-CD1 3.8Å; I811-I823 HydrophobicContact CG1-CD1 4.15Å; I811-I823 HydrophobicContact CG2-CD1 4.17Å; I811-I837 HydrophobicContact CG2-CG2 3.84Å; I811-V838 PolarHBondContact N-O 3.45Å; I811-A839 HydrophobicContact CG2-CB 3.41Å; I811-A839 VanDerWaalsContact CG2-CB 3.41Å; I811-A839 WeakPolarHBondContact O-CA 3.21Å; I811-T840 PolarHBondContact O-N 3.41Å; I811-I842 HydrophobicContact CD1-CG2 4.34Å; I811-L847 HydrophobicContact CD1-CD2 4.07Å
812	Y	83.3	Confident	75.3	Confident	32 Å²	32	62 Å²	62	13%	0.125	36%	0.359	C	S	.	.			trans	-148.3	161.4	175.9	53.5	-92.2	0	0	0	110.1	Q783 I786 P810 Q814 L815	Q783-Y812 HydrophobicContact CB-CD1 4.48Å; Q783-Y812 HydrophobicContact CB-CD2 4.2Å; Q783-Y812 HydrophobicContact CB-CE2 4.47Å; Q783-Y812 HydrophobicContact CB-CG 4.21Å; Q783-Y812 HydrophobicContact CG-CD1 4.15Å; Q783-Y812 HydrophobicContact CG-CD2 3.99Å; Q783-Y812 HydrophobicContact CG-CE1 3.93Å; Q783-Y812 HydrophobicContact CG-CE2 3.76Å; Q783-Y812 HydrophobicContact CG-CG 4.18Å; Q783-Y812 PolarHBondContact NE2-OH 3.17Å; I786-Y812 HydrophobicContact CD1-CD1 4.44Å; I786-Y812 HydrophobicContact CG2-CD1 4.23Å; P810-Y812 HydrophobicContact CB-CE1 4.42Å; Y812-Q814 HydrophobicContact CD2-CB 4.06Å; Y812-Q814 HydrophobicContact CE2-CB 4.11Å; Y812-Q814 PolarHBondContact O-N 2.78Å; Y812-Q814 VanDerWaalsContact O-N 3.09Å; Y812-L815 HydrophobicContact CD2-CB 4.25Å; Y812-L815 HydrophobicContact CE1-CD1 4Å; Y812-L815 HydrophobicContact CE2-CB 4.11Å; Y812-L815 HydrophobicContact CE2-CD1 4.42Å; Y812-L815 WeakPolarHBondContact O-CB 3.32Å; Y812-L815 PolarHBondContact O-N 3.11Å
813	S	72.9	Confident	75.7	Confident	96 Å²	96	54.4 Å²	54.4	67%	0.671	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.2	-163.7	-45.6	0	0	0	0	114.8	I842	S813-I842 VanDerWaalsContact N-CD1 3.31Å; S813-I842 WeakPolarHBondContact OG-CD1 3.47Å
814	Q	71.3	Confident	75.7	Confident	157 Å²	157	57 Å²	57	73%	0.734	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-9.3	-179.6	-59.5	-178.9	1.5	0	0	113.4	Y812	Y812-Q814 HydrophobicContact CD2-CB 4.06Å; Y812-Q814 HydrophobicContact CE2-CB 4.11Å; Y812-Q814 PolarHBondContact O-N 2.78Å; Y812-Q814 VanDerWaalsContact O-N 3.09Å
815	L	71.9	Confident	75.3	Confident	13 Å²	13	57 Å²	57	7%	0.068	32%	0.318	C	S	.	.	S	Bend	trans	-64.8	134.3	-178.6	-169.6	78.1	0	0	0	110.5	P810 Y812 S817 L819 Q820	P810-L815 VanDerWaalsContact O-CD2 3.28Å; P810-L815 WeakPolarHBondContact O-CD2 3.09Å; Y812-L815 HydrophobicContact CD2-CB 4.25Å; Y812-L815 HydrophobicContact CE1-CD1 4Å; Y812-L815 HydrophobicContact CE2-CB 4.11Å; Y812-L815 HydrophobicContact CE2-CD1 4.42Å; Y812-L815 WeakPolarHBondContact O-CB 3.32Å; Y812-L815 PolarHBondContact O-N 3.11Å; L815-S817 PolarHBondContact O-N 2.85Å; L815-L819 HydrophobicContact CD1-CB 4.37Å; L815-L819 HydrophobicContact CD1-CD1 3.86Å; L815-L819 HydrophobicContact CD2-CB 3.8Å; L815-L819 HydrophobicContact CG-CB 3.94Å; L815-L819 HydrophobicContact CG-CD1 4.26Å; L815-Q820 HydrophobicContact CB-CG 4.27Å; L815-Q820 HydrophobicContact CD2-CG 4.04Å; L815-Q820 HydrophobicContact CG-CG 4.46Å; L815-Q820 PolarHBondContact O-NE2 3.27Å
816	P	67.9	Low	74.1	Confident	71 Å²	71	57.8 Å²	57.8	46%	0.461	31%	0.313	S	S	.	.			trans	-51.2	135.9	175.7	-29.7	35.5	0	0	0	113.4	D818 L819 Q820	P816-D818 PolarHBondContact O-N 2.85Å; P816-L819 WeakPolarHBondContact O-CB 3.29Å; P816-L819 PolarHBondContact O-N 3.35Å; P816-Q820 PolarHBondContact O-N 3.48Å; P816-Q820 VanDerWaalsContact O-N 3.1Å
817	S	64.6	Low	72.4	Confident	60 Å²	60	66.8 Å²	66.8	42%	0.42	35%	0.345	S	S	.	.	H	α-helix	trans	-51.8	-31.9	-178.1	-44.5	0	0	0	0	113.2	L815 L819 Q820 A821	L815-S817 PolarHBondContact O-N 2.85Å; S817-L819 VanDerWaalsContact C-N 3.31Å; S817-L819 PolarHBondContact O-N 3.38Å; S817-Q820 PolarHBondContact O-N 2.9Å; S817-A821 WeakPolarHBondContact O-CB 3.38Å; S817-A821 PolarHBondContact O-N 3.33Å
818	D	68.1	Low	70.2	Confident	92 Å²	92	73.6 Å²	73.6	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-73.8	-24.1	-177	-42.7	-74.9	0	0	0	112.1	P816 K1073	P816-D818 PolarHBondContact O-N 2.85Å; D818-K1073 IonicContact OD1-NZ 3.24Å; D818-K1073 IonicContact OD2-NZ 3.26Å; D818-K1073 PolarHBondContact OD2-NZ 2.85Å
819	L	69.9	Low	67.6	Low	71 Å²	71	74.9 Å²	74.9	37%	0.372	38%	0.382	S	S	.	.	H	α-helix	trans	-85.4	-40	168.4	-61.7	-178.3	0	0	0	111.5	L815 P816 S817 A821 K822	L815-L819 HydrophobicContact CD1-CB 4.37Å; L815-L819 HydrophobicContact CD1-CD1 3.86Å; L815-L819 HydrophobicContact CD2-CB 3.8Å; L815-L819 HydrophobicContact CG-CB 3.94Å; L815-L819 HydrophobicContact CG-CD1 4.26Å; P816-L819 WeakPolarHBondContact O-CB 3.29Å; P816-L819 PolarHBondContact O-N 3.35Å; S817-L819 VanDerWaalsContact C-N 3.31Å; S817-L819 PolarHBondContact O-N 3.38Å; L819-A821 PolarHBondContact O-N 3Å; L819-K822 HydrophobicContact CD2-CD 3.94Å; L819-K822 WeakPolarHBondContact O-CB 3.45Å; L819-K822 PolarHBondContact O-N 2.77Å
820	Q	68.8	Low	65.4	Low	50 Å²	50	79.8 Å²	79.8	23%	0.234	42%	0.416	C	S	.	.	H	α-helix	trans	-55.6	-40.1	171.7	-59.7	-178.3	8.6	0	0	110.9	L815 P816 S817 K822 I823	L815-Q820 HydrophobicContact CB-CG 4.27Å; L815-Q820 HydrophobicContact CD2-CG 4.04Å; L815-Q820 HydrophobicContact CG-CG 4.46Å; L815-Q820 PolarHBondContact O-NE2 3.27Å; P816-Q820 PolarHBondContact O-N 3.48Å; P816-Q820 VanDerWaalsContact O-N 3.1Å; S817-Q820 PolarHBondContact O-N 2.9Å; Q820-K822 PolarHBondContact O-N 3.35Å; Q820-I823 WeakPolarHBondContact O-CB 3.25Å; Q820-I823 PolarHBondContact O-N 2.89Å
821	A	68.9	Low	63.6	Low	37 Å²	37	84.1 Å²	84.1	31%	0.306	44%	0.437	S	S	.	.	H	α-helix	trans	-61.9	-25.2	177.2	0	0	0	0	0	114.3	S817 L819 I823 Q825	S817-A821 WeakPolarHBondContact O-CB 3.38Å; S817-A821 PolarHBondContact O-N 3.33Å; L819-A821 PolarHBondContact O-N 3Å; A821-I823 PolarHBondContact O-N 2.88Å; A821-Q825 WeakPolarHBondContact O-CG 3.47Å; A821-Q825 PolarHBondContact O-N 3.02Å
822	K	71.6	Confident	62.2	Low	104 Å²	104	87.8 Å²	87.8	45%	0.452	48%	0.476	S	S	.	.	H	α-helix	trans	-66.4	-21.5	177.5	-66.2	177.7	177.4	176.6	0	112.9	L819 Q820 Q825	L819-K822 HydrophobicContact CD2-CD 3.94Å; L819-K822 WeakPolarHBondContact O-CB 3.45Å; L819-K822 PolarHBondContact O-N 2.77Å; Q820-K822 PolarHBondContact O-N 3.35Å; K822-Q825 PolarHBondContact O-N 3.38Å
823	I	72.4	Confident	61.8	Low	3 Å²	3	89.6 Å²	89.6	2%	0.015	49%	0.49	C	S	.	.	H	α-helix	trans	-71.3	-45	-177.9	-63	164.7	0	0	0	110.3	L809 I811 Q820 A821 Q825 K835 I837 V849	L809-I823 HydrophobicContact CB-CG1 4.4Å; L809-I823 HydrophobicContact CD1-CG1 4.32Å; I811-I823 HydrophobicContact CB-CD1 3.69Å; I811-I823 HydrophobicContact CD1-CD1 3.8Å; I811-I823 HydrophobicContact CG1-CD1 4.15Å; I811-I823 HydrophobicContact CG2-CD1 4.17Å; Q820-I823 WeakPolarHBondContact O-CB 3.25Å; Q820-I823 PolarHBondContact O-N 2.89Å; A821-I823 PolarHBondContact O-N 2.88Å; I823-Q825 VanDerWaalsContact C-N 3.27Å; I823-Q825 PolarHBondContact O-N 3.47Å; I823-K835 PolarHBondContact O-NZ 2.81Å; I823-I837 HydrophobicContact CG2-CD1 3.78Å; I823-I837 HydrophobicContact CG2-CG1 4.36Å; I823-V849 HydrophobicContact CG2-CG1 3.98Å; I823-V849 HydrophobicContact CG2-CG2 3.83Å
824	F	68.6	Low	62.2	Low	87 Å²	87	86.4 Å²	86.4	38%	0.382	46%	0.463	S	S	.	.	H	α-helix	trans	-71.8	-17.1	176	-45.3	-72.5	0	0	0	113.6	K826 L847 V849	F824-K826 PolarHBondContact O-N 2.92Å; F824-L847 HydrophobicContact CE1-CD1 3.92Å; F824-L847 HydrophobicContact CE1-CD2 4Å; F824-L847 HydrophobicContact CE1-CG 3.92Å; F824-L847 HydrophobicContact CZ-CD1 3.65Å; F824-L847 HydrophobicContact CZ-CD2 3.86Å; F824-L847 HydrophobicContact CZ-CG 4.01Å; F824-V849 HydrophobicContact CE1-CG2 4.25Å
825	Q	65.3	Low	62.8	Low	70 Å²	70	80.4 Å²	80.4	33%	0.327	44%	0.435	S	S	.	.			trans	-65.7	105.1	174.6	-71.5	167.7	22.1	0	0	109.5	A821 K822 I823 R827 K835	A821-Q825 WeakPolarHBondContact O-CG 3.47Å; A821-Q825 PolarHBondContact O-N 3.02Å; K822-Q825 PolarHBondContact O-N 3.38Å; I823-Q825 VanDerWaalsContact C-N 3.27Å; I823-Q825 PolarHBondContact O-N 3.47Å; Q825-R827 VanDerWaalsContact C-N 3.26Å; Q825-R827 PolarHBondContact O-N 2.82Å; Q825-K835 PolarHBondContact O-NZ 3.44Å
826	K	52.2	Low	63.6	Low	96 Å²	96	79.8 Å²	79.8	42%	0.417	43%	0.432	S	S	.	.			trans	-69.6	89.6	155.6	-73.4	-173.5	-177.8	173.1	0	107.4	F824 K828 D850	F824-K826 PolarHBondContact O-N 2.92Å; K826-K828 PolarHBondContact O-N 2.9Å; K826-D850 WeakPolarHBondContact CE-OD2 3.39Å; K826-D850 IonicContact NZ-OD2 2.75Å; K826-D850 PolarHBondContact NZ-OD2 2.94Å
827	R	46.9	Very low	64.7	Low	213 Å²	213	76.6 Å²	76.6	80%	0.804	41%	0.41	S	S	*	.			trans	-60	103.2	167.5	-88.3	-172.7	165.2	-166.2	-6.3	108.3	Q825 A829	Q825-R827 VanDerWaalsContact C-N 3.26Å; Q825-R827 PolarHBondContact O-N 2.82Å; R827-A829 HydrophobicContact CB-CB 4.3Å; R827-A829 PolarHBondContact O-N 3.26Å
828	K	39.6	Very low	65.9	Low	179 Å²	179	73.7 Å²	73.7	78%	0.778	39%	0.39	S	S	*	.			trans	-68.9	84.1	151.6	-77	-170.1	175	-175.9	0	107.2	K826	K826-K828 PolarHBondContact O-N 2.9Å
829	A	34.1	Very low	67	Low	55 Å²	55	69.3 Å²	69.3	46%	0.455	37%	0.367	S	S	.	.			trans	-124.9	150.7	168.6	0	0	0	0	0	107.5	R827 D831	R827-A829 HydrophobicContact CB-CB 4.3Å; R827-A829 PolarHBondContact O-N 3.26Å; A829-D831 VanDerWaalsContact C-N 3.25Å; A829-D831 PolarHBondContact O-N 3.4Å
830	P	41.1	Very low	67.9	Low	142 Å²	142	66.9 Å²	66.9	92%	0.922	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	0.5	-145.2	-24.9	37.1	0	0	0	118.4
831	D	50.9	Low	68.6	Low	133 Å²	133	66.6 Å²	66.6	71%	0.711	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.1	32.9	-151.8	-145.8	20	0	0	0	115.6	A829 V833	A829-D831 VanDerWaalsContact C-N 3.25Å; A829-D831 PolarHBondContact O-N 3.4Å; D831-V833 PolarHBondContact O-N 3.3Å
832	G	56.3	Low	69.2	Low	82 Å²	82	67.1 Å²	67.1	85%	0.845	35%	0.352	S	S	*	.			trans	62.8	7.7	160.8	0	0	0	0	0	119.1	R834	G832-R834 PolarHBondContact O-N 3.08Å
833	V	73.5	Confident	69.6	Low	70 Å²	70	62.5 Å²	62.5	42%	0.424	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-51.6	122.5	-172.5	-173.3	0	0	0	0	113.3	P805 A807 D831	P805-V833 HydrophobicContact CB-CG1 4.06Å; P805-V833 HydrophobicContact CB-CG2 4.33Å; P805-V833 HydrophobicContact CG-CG1 4.32Å; P805-V833 HydrophobicContact CG-CG2 3.96Å; A807-V833 HydrophobicContact CB-CG1 4.23Å; D831-V833 PolarHBondContact O-N 3.3Å
834	R	81.6	Confident	69.8	Low	29 Å²	29	62.6 Å²	62.6	11%	0.109	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	145.6	177.4	-165.8	-166.8	-58.3	-144.8	15.9	111.2	I767 H768 M772 G774 L806 A807 G832	I767-R834 PolarHBondContact O-NH1 2.88Å; I767-R834 PolarHBondContact O-NH2 2.88Å; H768-R834 PolarHBondContact ND1-NE 3.39Å; H768-R834 PolarHBondContact O-NH2 3.33Å; M772-R834 VanDerWaalsContact O-CZ 3.22Å; M772-R834 PolarHBondContact O-NH1 3.46Å; M772-R834 PolarHBondContact O-NH2 3.09Å; G774-R834 WeakPolarHBondContact O-CD 2.92Å; G774-R834 WeakPolarHBondContact O-CG 3.45Å; L806-R834 HydrophobicContact CD1-CB 3.92Å; L806-R834 HydrophobicContact CD1-CG 4.14Å; A807-R834 PolarHBondContact N-O 3.14Å; G832-R834 PolarHBondContact O-N 3.08Å
835	K	85.1	Confident	69.6	Low	32 Å²	32	58.7 Å²	58.7	14%	0.139	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.4	169.4	-56.3	178.1	176.8	177.7	0	111.8	D775 I776 A807 L809 I823 Q825	D775-K835 HydrophobicContact CB-CB 4.21Å; D775-K835 WeakPolarHBondContact OD1-CB 3.34Å; D775-K835 PolarHBondContact OD1-N 2.8Å; I776-K835 PolarHBondContact N-O 3.14Å; A807-K835 WeakPolarHBondContact O-CA 3.24Å; L809-K835 HydrophobicContact CD1-CD 4.27Å; L809-K835 HydrophobicContact CD1-CG 4.49Å; I823-K835 PolarHBondContact O-NZ 2.81Å; Q825-K835 PolarHBondContact O-NZ 3.44Å
836	C	88.8	Confident	69.4	Low	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	109.6	163.6	-177.4	0	0	0	0	108.7	L806 A807 V808 L809	L806-C836 HydrophobicContact CD1-CB 3.97Å; L806-C836 HydrophobicContact CD2-CB 3.83Å; L806-C836 HydrophobicContact CG-CB 3.95Å; A807-C836 PolarHBondContact O-N 3.18Å; V808-C836 CarbonylContact C-O 3.5Å; V808-C836 WeakPolarHBondContact CA-O 3.19Å; L809-C836 PolarHBondContact N-O 3.34Å
837	I	89.6	Confident	70	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.3	-178	-59	164.8	0	0	0	108.3	I776 L777 I778 L809 I811 I823 A839 V849	I776-I837 PolarHBondContact O-N 2.69Å; L777-I837 CarbonylContact C-O 3.46Å; L777-I837 WeakPolarHBondContact CA-O 3.48Å; L777-I837 HydrophobicContact CD1-CB 3.95Å; L777-I837 HydrophobicContact CD1-CG2 3.75Å; I778-I837 PolarHBondContact N-O 3.27Å; L809-I837 HydrophobicContact CB-CG1 4.5Å; L809-I837 WeakPolarHBondContact O-CA 3.09Å; I811-I837 HydrophobicContact CG2-CG2 3.84Å; I823-I837 HydrophobicContact CG2-CD1 3.78Å; I823-I837 HydrophobicContact CG2-CG1 4.36Å; I837-A839 HydrophobicContact CG2-CB 4.47Å; I837-V849 HydrophobicContact CD1-CG1 3.85Å
838	V	90.9	Very high	70.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108.9	-179.4	-164.8	0	0	0	0	109.1	I778 M780 I786 T789 V808 L809 P810 I811	I778-V838 HydrophobicContact CB-CG1 4.32Å; I778-V838 HydrophobicContact CD1-CG2 4.34Å; M780-V838 HydrophobicContact CB-CG1 4.48Å; M780-V838 HydrophobicContact CG-CG1 3.99Å; I786-V838 HydrophobicContact CB-CG1 4.32Å; I786-V838 HydrophobicContact CG1-CG1 4.08Å; I786-V838 HydrophobicContact CG2-CB 4.18Å; I786-V838 HydrophobicContact CG2-CG1 4.11Å; T789-V838 HydrophobicContact CG2-CG1 3.78Å; T789-V838 HydrophobicContact CG2-CG2 4.34Å; V808-V838 HydrophobicContact CG1-CG2 4.2Å; L809-V838 PolarHBondContact O-N 3.08Å; P810-V838 CarbonylContact C-O 3.49Å; P810-V838 WeakPolarHBondContact CA-O 3.3Å; I811-V838 PolarHBondContact N-O 3.45Å
839	A	90.2	Very high	72.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.3	-159.5	0	0	0	0	0	114.2	L777 I778 F779 M780 I811 I837 A843	L777-A839 HydrophobicContact CD1-CB 3.71Å; I778-A839 PolarHBondContact O-N 3.03Å; F779-A839 CarbonylContact C-O 3.59Å; F779-A839 WeakPolarHBondContact CA-O 3.39Å; M780-A839 PolarHBondContact N-O 3.05Å; I811-A839 HydrophobicContact CG2-CB 3.41Å; I811-A839 VanDerWaalsContact CG2-CB 3.41Å; I811-A839 WeakPolarHBondContact O-CA 3.21Å; I837-A839 HydrophobicContact CG2-CB 4.47Å; A839-A843 HydrophobicContact CB-CB 3.85Å
840	T	89.6	Confident	74.3	Confident	20 Å²	20	41.8 Å²	41.8	12%	0.123	26%	0.258	C	S	.	.			trans	-82.6	-176.8	159	59.7	0	0	0	0	111.4	I786 I811 I842 A843	I786-T840 HydrophobicContact CD1-CG2 3.46Å; I786-T840 VanDerWaalsContact CD1-CG2 3.46Å; I811-T840 PolarHBondContact O-N 3.41Å; T840-I842 PolarHBondContact O-N 2.92Å; T840-I842 VanDerWaalsContact OG1-CD1 3.29Å; T840-I842 WeakPolarHBondContact OG1-CD1 3.38Å; T840-I842 WeakPolarHBondContact OG1-CG1 3.3Å; T840-A843 PolarHBondContact O-N 3.03Å
841	N	84.3	Confident	76.1	Confident	43 Å²	43	36.3 Å²	36.3	23%	0.23	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-50.5	-10.7	173.9	-61.2	47	0	0	0	115.3	A843 E844 C861 R888	N841-A843 PolarHBondContact O-N 3.09Å; N841-E844 HydrophobicContact CB-CB 4.44Å; N841-E844 PolarHBondContact ND2-OE2 3.39Å; N841-E844 VanDerWaalsContact ND2-OE2 3.15Å; N841-E844 WeakPolarHBondContact O-CB 3.48Å; N841-E844 PolarHBondContact O-N 3.18Å; N841-C861 WeakPolarHBondContact OD1-CB 3.15Å; N841-R888 VanDerWaalsContact CG-NH2 3.32Å; N841-R888 PolarHBondContact ND2-NH2 2.83Å; N841-R888 PolarHBondContact OD1-NH2 3.43Å
842	I	80.8	Confident	77.7	Confident	49 Å²	49	30.3 Å²	30.3	25%	0.251	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-53.6	-38.6	172.5	-59.5	164.5	0	0	0	111.7	I811 S813 T840 E844	I811-I842 HydrophobicContact CD1-CG2 4.34Å; S813-I842 VanDerWaalsContact N-CD1 3.31Å; S813-I842 WeakPolarHBondContact OG-CD1 3.47Å; T840-I842 PolarHBondContact O-N 2.92Å; T840-I842 VanDerWaalsContact OG1-CD1 3.29Å; T840-I842 WeakPolarHBondContact OG1-CD1 3.38Å; T840-I842 WeakPolarHBondContact OG1-CG1 3.3Å; I842-E844 VanDerWaalsContact C-N 3.27Å; I842-E844 PolarHBondContact O-N 3.39Å
843	A	80.4	Confident	79.2	Confident	7 Å²	7	28.3 Å²	28.3	6%	0.058	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-76	-12.7	178.8	0	0	0	0	0	113.6	L777 F779 A839 T840 N841 T845 R891	L777-A843 HydrophobicContact CD1-CB 4.12Å; L777-A843 HydrophobicContact CD2-CB 4.06Å; F779-A843 HydrophobicContact CE1-CB 3.91Å; F779-A843 HydrophobicContact CZ-CB 4.18Å; A839-A843 HydrophobicContact CB-CB 3.85Å; T840-A843 PolarHBondContact O-N 3.03Å; N841-A843 PolarHBondContact O-N 3.09Å; A843-T845 PolarHBondContact O-N 3.08Å; A843-R891 WeakPolarHBondContact O-CD 3.3Å; A843-R891 PolarHBondContact O-NH1 3.12Å
844	E	77.1	Confident	79.9	Confident	5 Å²	5	25.3 Å²	25.3	2%	0.023	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-73.6	-27.7	-167.5	-167.1	169.7	125.2	0	0	114.3	F779 N841 I842 N884 Q887 R888 R891	F779-E844 HydrophobicContact CE1-CB 4.03Å; F779-E844 HydrophobicContact CZ-CB 4.5Å; N841-E844 HydrophobicContact CB-CB 4.44Å; N841-E844 PolarHBondContact ND2-OE2 3.39Å; N841-E844 VanDerWaalsContact ND2-OE2 3.15Å; N841-E844 WeakPolarHBondContact O-CB 3.48Å; N841-E844 PolarHBondContact O-N 3.18Å; I842-E844 VanDerWaalsContact C-N 3.27Å; I842-E844 PolarHBondContact O-N 3.39Å; E844-N884 WeakPolarHBondContact OE1-CB 3.47Å; E844-N884 PolarHBondContact OE1-ND2 2.81Å; E844-Q887 HydrophobicContact CG-CB 4.38Å; E844-R888 HydrophobicContact CG-CG 3.83Å; E844-R888 IonicContact OE2-CZ 2.69Å; E844-R888 IonicContact OE2-NE 2.86Å; E844-R888 PolarHBondContact OE2-NE 2.64Å; E844-R888 IonicContact OE2-NH2 3.25Å; E844-R888 PolarHBondContact OE2-NH2 2.96Å; E844-R891 PolarHBondContact O-NE 3.39Å; E844-R891 PolarHBondContact O-NH1 3.09Å; E844-R891 PolarHBondContact O-NH2 2.94Å
845	T	64.3	Low	80.3	Confident	5 Å²	5	23.9 Å²	23.9	3%	0.031	14%	0.14	C	C	.	.	S	Bend	trans	-132.5	-79.4	-168.6	11.6	0	0	0	0	111.7	R619 H688 A843 L847 R891	R619-T845 VanDerWaalsContact CZ-OG1 3.29Å; R619-T845 PolarHBondContact NH1-OG1 3.43Å; R619-T845 PolarHBondContact NH2-OG1 2.93Å; H688-T845 WeakPolarHBondContact NE2-CG2 3.48Å; A843-T845 PolarHBondContact O-N 3.08Å; T845-L847 VanDerWaalsContact C-N 3.34Å; T845-L847 PolarHBondContact O-N 2.89Å; T845-R891 PolarHBondContact O-NH1 2.66Å; T845-R891 PolarHBondContact O-NH2 3.11Å
846	S	59.8	Low	80.6	Confident	47 Å²	47	22.6 Å²	22.6	33%	0.329	14%	0.135	S	C	.	.	S	Bend	trans	-81.2	-2.6	-167.9	-31.3	0	0	0	0	115.7	R619	R619-S846 WeakPolarHBondContact CD-OG 3.47Å; R619-S846 PolarHBondContact NH1-OG 3.26Å
847	L	65.9	Low	80.6	Confident	37 Å²	37	22.7 Å²	22.7	19%	0.194	14%	0.135	C	C	.	.			trans	-105.5	128.5	-178.8	-145.2	73	0	0	0	112.9	I811 F824 T845 V849 R891 R894	I811-L847 HydrophobicContact CD1-CD2 4.07Å; F824-L847 HydrophobicContact CE1-CD1 3.92Å; F824-L847 HydrophobicContact CE1-CD2 4Å; F824-L847 HydrophobicContact CE1-CG 3.92Å; F824-L847 HydrophobicContact CZ-CD1 3.65Å; F824-L847 HydrophobicContact CZ-CD2 3.86Å; F824-L847 HydrophobicContact CZ-CG 4.01Å; T845-L847 VanDerWaalsContact C-N 3.34Å; T845-L847 PolarHBondContact O-N 2.89Å; L847-V849 HydrophobicContact CD2-CG2 4.08Å; L847-R891 PolarHBondContact O-NH1 2.8Å; L847-R894 PolarHBondContact O-NH1 3.01Å
848	T	65.4	Low	80.5	Confident	84 Å²	84	22.6 Å²	22.6	52%	0.515	14%	0.135	S	C	.	.			trans	-106.4	119.2	166.6	46.9	0	0	0	0	109.1
849	V	73.1	Confident	80.3	Confident	21 Å²	21	22.6 Å²	22.6	13%	0.127	14%	0.135	C	C	.	.			trans	-116.3	118.1	166.9	-176.6	0	0	0	0	107	I823 F824 I837 L847 I852	I823-V849 HydrophobicContact CG2-CG1 3.98Å; I823-V849 HydrophobicContact CG2-CG2 3.83Å; F824-V849 HydrophobicContact CE1-CG2 4.25Å; I837-V849 HydrophobicContact CD1-CG1 3.85Å; L847-V849 HydrophobicContact CD2-CG2 4.08Å; V849-I852 HydrophobicContact CB-CD1 3.83Å; V849-I852 HydrophobicContact CB-CG1 4.47Å; V849-I852 HydrophobicContact CG1-CD1 4.4Å
850	D	72.6	Confident	80.2	Confident	68 Å²	68	22.6 Å²	22.6	36%	0.364	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	138.4	176.5	-78.5	15.8	0	0	0	111.3	K826	K826-D850 WeakPolarHBondContact CE-OD2 3.39Å; K826-D850 IonicContact NZ-OD2 2.75Å; K826-D850 PolarHBondContact NZ-OD2 2.94Å
851	G	77.4	Confident	80.2	Confident	27 Å²	27	21.9 Å²	21.9	28%	0.278	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.4	-4.9	168.3	0	0	0	0	0	115.5	D775 M853	D775-G851 PolarHBondContact N-O 3.29Å; G851-M853 PolarHBondContact O-N 2.78Å
852	I	85.3	Confident	80.3	Confident	8 Å²	8	23 Å²	23	4%	0.041	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	119.6	171.5	-62	166.8	0	0	0	109	L777 V849 V855 T895	L777-I852 HydrophobicContact CB-CD1 3.95Å; L777-I852 HydrophobicContact CB-CG1 4.32Å; L777-I852 HydrophobicContact CB-CG2 3.9Å; L777-I852 HydrophobicContact CD2-CD1 3.9Å; L777-I852 HydrophobicContact CG-CD1 4.38Å; V849-I852 HydrophobicContact CB-CD1 3.83Å; V849-I852 HydrophobicContact CB-CG1 4.47Å; V849-I852 HydrophobicContact CG1-CD1 4.4Å; I852-V855 HydrophobicContact CG2-CG2 4.06Å; I852-T895 PolarHBondContact O-OG1 2.93Å
853	M	87.4	Confident	80.5	Confident	40 Å²	40	22.2 Å²	22.2	20%	0.197	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-21	172.5	-59.6	-68.3	-76.9	0	0	111.3	D775 G851 P897 G898 Q899	D775-M853 PolarHBondContact O-N 3.24Å; D775-M853 VanDerWaalsContact O-N 3.1Å; G851-M853 PolarHBondContact O-N 2.78Å; M853-P897 WeakPolarHBondContact CE-O 3.4Å; M853-G898 CarbonylContact O-C 3.53Å; M853-G898 VanDerWaalsContact O-CA 3.24Å; M853-G898 WeakPolarHBondContact O-CA 3.32Å; M853-Q899 PolarHBondContact O-N 3.1Å
854	F	88.7	Confident	80.7	Confident	6 Å²	6	26.8 Å²	26.8	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.8	-177.3	-54.7	-68.1	0	0	0	110.8	I767 M772 D775 I776 L777 Q899 Y901	I767-F854 HydrophobicContact CG2-CB 4.02Å; I767-F854 HydrophobicContact CG2-CD1 3.98Å; I767-F854 HydrophobicContact CG2-CD2 3.75Å; I767-F854 HydrophobicContact CG2-CE1 4.45Å; I767-F854 HydrophobicContact CG2-CE2 4.24Å; I767-F854 HydrophobicContact CG2-CG 3.61Å; M772-F854 HydrophobicContact CB-CE1 4.4Å; M772-F854 HydrophobicContact CB-CE2 4.29Å; M772-F854 HydrophobicContact CB-CZ 3.59Å; M772-F854 HydrophobicContact CE-CE1 3.98Å; M772-F854 HydrophobicContact CE-CZ 4.12Å; M772-F854 HydrophobicContact SD-CE1 4.34Å; M772-F854 HydrophobicContact SD-CZ 4.43Å; D775-F854 PolarHBondContact O-N 2.9Å; I776-F854 CarbonylContact C-O 3.57Å; I776-F854 WeakPolarHBondContact CA-O 3.5Å; I776-F854 HydrophobicContact CG1-CB 4.17Å; I776-F854 HydrophobicContact CG1-CD2 4.29Å; L777-F854 PolarHBondContact N-O 2.94Å; F854-Q899 WeakPolarHBondContact CA-O 3.37Å; F854-Q899 HydrophobicContact CD1-CB 4.17Å; F854-Q899 HydrophobicContact CE1-CB 4.45Å; F854-Q899 HydrophobicContact CE1-CG 4.48Å; F854-Y901 HydrophobicContact CD1-CE2 4.09Å
855	V	90.5	Very high	81	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.8	173.5	171.6	0	0	0	0	109.4	L777 F779 I852 R891 A892 Q899 C900 Y901	L777-V855 HydrophobicContact CB-CG2 4.46Å; L777-V855 CarbonylContact O-C 3.33Å; L777-V855 WeakPolarHBondContact O-CA 3.44Å; F779-V855 HydrophobicContact CD2-CG1 3.96Å; F779-V855 HydrophobicContact CE2-CG1 3.84Å; I852-V855 HydrophobicContact CG2-CG2 4.06Å; V855-R891 HydrophobicContact CG2-CB 3.94Å; V855-A892 HydrophobicContact CG2-CB 3.86Å; V855-Q899 PolarHBondContact N-O 2.71Å; V855-C900 CarbonylContact O-C 3.5Å; V855-C900 WeakPolarHBondContact O-CA 3.14Å; V855-Y901 PolarHBondContact O-N 2.68Å
856	V	90.2	Very high	81.9	Confident	4 Å²	4	28 Å²	28	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.7	169.6	-177.2	0	0	0	0	107.7	A760 Q763 I767 I776 L777 I778 F779 Y901	A760-V856 HydrophobicContact CB-CG1 4.19Å; Q763-V856 HydrophobicContact CB-CG1 4.46Å; Q763-V856 HydrophobicContact CG-CG1 4.5Å; Q763-V856 HydrophobicContact CG-CG2 4.23Å; I767-V856 HydrophobicContact CD1-CG2 3.85Å; I776-V856 HydrophobicContact CG2-CG2 4.32Å; L777-V856 PolarHBondContact O-N 3.1Å; I778-V856 CarbonylContact C-O 3.4Å; I778-V856 WeakPolarHBondContact CA-O 3.19Å; I778-V856 HydrophobicContact CB-CB 4.48Å; I778-V856 HydrophobicContact CG1-CB 4.24Å; I778-V856 HydrophobicContact CG2-CB 4.28Å; I778-V856 HydrophobicContact CG2-CG1 4.36Å; F779-V856 PolarHBondContact N-O 3.28Å; V856-Y901 WeakPolarHBondContact CA-O 3.34Å
857	D	89.6	Confident	82.8	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122	-179.4	173.9	39.6	0	0	0	111.5	G859 I880 R888 Y901 Y906	D857-G859 VanDerWaalsContact C-N 3.27Å; D857-G859 PolarHBondContact O-N 2.87Å; D857-G859 PolarHBondContact OD1-N 3.4Å; D857-I880 WeakPolarHBondContact OD2-CD1 3.34Å; D857-R888 WeakPolarHBondContact OD1-CD 3.05Å; D857-R888 IonicContact OD1-CZ 2.73Å; D857-R888 IonicContact OD1-NE 2.71Å; D857-R888 IonicContact OD1-NH1 2.79Å; D857-R888 PolarHBondContact OD1-NH1 2.92Å; D857-Y901 PolarHBondContact N-O 2.89Å; D857-Y901 VanDerWaalsContact N-O 3.09Å; D857-Y906 PolarHBondContact OD2-OH 2.96Å
858	S	86.5	Confident	83	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.007	15%	0.15	C	C	.	.			trans	-73.5	-15.4	175.7	57	0	0	0	0	114.2	F779 Y860 L905	F779-S858 VanDerWaalsContact O-CB 3.22Å; F779-S858 WeakPolarHBondContact O-CB 3.39Å; F779-S858 PolarHBondContact O-N 2.98Å; F779-S858 PolarHBondContact O-OG 2.85Å; S858-Y860 WeakPolarHBondContact O-CD2 3.28Å; S858-Y860 WeakPolarHBondContact O-CE2 3.38Å; S858-Y860 PolarHBondContact O-N 3.32Å; S858-L905 WeakPolarHBondContact O-CD1 3.37Å
859	G	86.9	Confident	83.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	75.9	4.8	-177.8	0	0	0	0	0	114.7	D857 P879 I880 Y906	D857-G859 VanDerWaalsContact C-N 3.27Å; D857-G859 PolarHBondContact O-N 2.87Å; D857-G859 PolarHBondContact OD1-N 3.4Å; G859-P879 WeakPolarHBondContact O-CA 3.18Å; G859-I880 PolarHBondContact O-N 2.99Å; G859-Y906 VanDerWaalsContact CA-CE1 3.41Å
860	Y	89.1	Confident	83.2	Confident	1 Å²	1	30.5 Å²	30.5	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.9	-179.7	-60.9	-69.8	0	0	0	112.7	M470 I473 Y756 S858 V877 Y878 R888 L905	M470-Y860 HydrophobicContact CB-CE1 4.43Å; M470-Y860 HydrophobicContact CE-CD1 4.49Å; M470-Y860 HydrophobicContact CE-CE1 3.82Å; M470-Y860 HydrophobicContact CE-CE2 4.43Å; I473-Y860 HydrophobicContact CG2-CE2 4.29Å; I473-Y860 WeakPolarHBondContact CG2-OH 3.41Å; Y756-Y860 HydrophobicContact CD1-CD2 4.06Å; Y756-Y860 HydrophobicContact CD1-CE2 4.04Å; Y756-Y860 HydrophobicContact CG-CD2 4.17Å; Y756-Y860 HydrophobicContact CG-CE2 4.35Å; S858-Y860 WeakPolarHBondContact O-CD2 3.28Å; S858-Y860 WeakPolarHBondContact O-CE2 3.38Å; S858-Y860 PolarHBondContact O-N 3.32Å; Y860-V877 HydrophobicContact CD1-CG1 4.27Å; Y860-V877 HydrophobicContact CG-CG1 4.27Å; Y860-Y878 WeakPolarHBondContact CA-O 3.5Å; Y860-R888 PolarHBondContact O-NH1 3.46Å; Y860-R888 VanDerWaalsContact O-NH1 3.11Å; Y860-L905 HydrophobicContact CE2-CD2 4.39Å
861	C	88.8	Confident	83.1	Confident	4 Å²	4	28.6 Å²	28.6	3%	0.027	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	160.7	167.8	62.2	0	0	0	0	110.5	N841 V877 Y878 I880	N841-C861 WeakPolarHBondContact OD1-CB 3.15Å; C861-V877 WeakPolarHBondContact O-CA 3.49Å; C861-Y878 PolarHBondContact N-O 3.39Å; C861-Y878 PolarHBondContact O-N 3.39Å; C861-I880 HydrophobicContact CB-CG2 4Å
862	K	87.2	Confident	83	Confident	67 Å²	67	27.7 Å²	27.7	29%	0.291	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.6	167.7	-74.7	173	-162.1	-179.5	0	108.9	P781 D785 L875 Q876 V877	P781-K862 HydrophobicContact CB-CG 4.3Å; P781-K862 WeakPolarHBondContact O-CB 3.23Å; P781-K862 VanDerWaalsContact O-CD 3.24Å; P781-K862 WeakPolarHBondContact O-CD 3.49Å; P781-K862 WeakPolarHBondContact O-CG 3.35Å; D785-K862 WeakPolarHBondContact OD2-CE 3.43Å; D785-K862 IonicContact OD2-NZ 2.67Å; D785-K862 PolarHBondContact OD2-NZ 3.21Å; K862-L875 HydrophobicContact CB-CD1 4.04Å; K862-L875 HydrophobicContact CB-CG 4.21Å; K862-Q876 WeakPolarHBondContact CA-O 3.4Å; K862-V877 HydrophobicContact CD-CG2 4.19Å; K862-V877 HydrophobicContact CG-CG2 3.7Å
863	L	84.9	Confident	82.7	Confident	33 Å²	33	29.5 Å²	29.5	17%	0.173	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.8	179.8	-61.7	175.2	0	0	0	110.1	Q876 Y878	L863-Q876 PolarHBondContact N-O 2.9Å; L863-Q876 PolarHBondContact O-N 3.14Å; L863-Q876 VanDerWaalsContact O-N 3.1Å; L863-Y878 HydrophobicContact CB-CD2 4.06Å; L863-Y878 HydrophobicContact CD1-CD2 4.36Å
864	K	83.5	Confident	82.3	Confident	102 Å²	102	28.1 Å²	28.1	44%	0.443	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.4	168.7	-167.8	177.3	179.6	-172.6	0	108.6	D873 A874	K864-D873 WeakPolarHBondContact CE-OD1 3.49Å; K864-D873 WeakPolarHBondContact CE-OD2 3.4Å; K864-D873 HydrophobicContact CG-CB 4.49Å; K864-D873 VanDerWaalsContact NZ-CG 3.31Å; K864-D873 IonicContact NZ-OD1 3.29Å; K864-D873 IonicContact NZ-OD2 3.72Å; K864-D873 PolarHBondContact NZ-OD2 3.45Å; K864-A874 WeakPolarHBondContact CA-O 3.44Å
865	V	84.9	Confident	82.1	Confident	25 Å²	25	33 Å²	33	15%	0.152	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	118	177.2	-179.5	0	0	0	0	108.9	P462 A874 Y878 R925	P462-V865 HydrophobicContact CG-CG2 3.94Å; V865-A874 PolarHBondContact N-O 3.42Å; V865-A874 PolarHBondContact O-N 3.46Å; V865-Y878 HydrophobicContact CG2-CD2 4.49Å; V865-Y878 HydrophobicContact CG2-CE2 3.67Å; V865-R925 WeakPolarHBondContact CA-O 3.46Å
866	F	82.8	Confident	81.8	Confident	12 Å²	12	36.7 Å²	36.7	5%	0.053	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133.4	172.5	-177.8	-115.6	0	0	0	110.5	P868 G871 D873 R925 N927 N956	F866-P868 HydrophobicContact CD1-CB 4.43Å; F866-P868 HydrophobicContact CE1-CB 4.1Å; F866-G871 VanDerWaalsContact CE2-C 3.46Å; F866-D873 WeakPolarHBondContact CB-OD1 3.45Å; F866-D873 WeakPolarHBondContact CD2-OD1 3.49Å; F866-R925 WeakPolarHBondContact CB-O 3.43Å; F866-R925 PolarHBondContact N-O 3.39Å; F866-N927 HydrophobicContact CD1-CB 4.32Å; F866-N927 HydrophobicContact CD2-CB 3.91Å; F866-N927 HydrophobicContact CE1-CB 4.19Å; F866-N927 HydrophobicContact CE2-CB 3.76Å; F866-N927 HydrophobicContact CG-CB 4.18Å; F866-N927 HydrophobicContact CZ-CB 3.9Å; F866-N956 WeakPolarHBondContact CD1-OD1 3.24Å; F866-N956 VanDerWaalsContact CE1-OD1 3.27Å; F866-N956 WeakPolarHBondContact CE1-OD1 3.41Å
867	N	79.3	Confident	81.7	Confident	58 Å²	58	37.7 Å²	37.7	31%	0.31	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	108.5	170.6	-173.8	-22.9	0	0	0	109.8	R869 I870 G871 M872	N867-R869 VanDerWaalsContact C-N 3.3Å; N867-R869 PolarHBondContact O-N 3.31Å; N867-R869 PolarHBondContact OD1-N 2.88Å; N867-I870 HydrophobicContact CB-CB 4.13Å; N867-I870 HydrophobicContact CB-CD1 4.18Å; N867-I870 HydrophobicContact CB-CG1 4.15Å; N867-I870 VanDerWaalsContact ND2-CD1 3.3Å; N867-I870 WeakPolarHBondContact ND2-CD1 3.36Å; N867-I870 PolarHBondContact O-N 2.8Å; N867-G871 PolarHBondContact O-N 2.97Å; N867-M872 PolarHBondContact N-O 2.86Å
868	P	70.3	Confident	81.7	Confident	16 Å²	16	38.6 Å²	38.6	10%	0.104	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-26.4	-171.7	27.2	-35	0	0	0	113.4	P459 F866 I870 D955 N959	P459-P868 HydrophobicContact CB-CG 4.4Å; F866-P868 HydrophobicContact CD1-CB 4.43Å; F866-P868 HydrophobicContact CE1-CB 4.1Å; P868-I870 PolarHBondContact O-N 3.4Å; P868-D955 HydrophobicContact CB-CB 4.26Å; P868-D955 HydrophobicContact CG-CB 4.08Å; P868-N959 PolarHBondContact O-ND2 3.12Å
869	R	68.8	Low	81.8	Confident	154 Å²	154	39.3 Å²	39.3	58%	0.581	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.7	174.8	-63.9	-177.1	-179	170.5	1.7	113	N867	N867-R869 VanDerWaalsContact C-N 3.3Å; N867-R869 PolarHBondContact O-N 3.31Å; N867-R869 PolarHBondContact OD1-N 2.88Å
870	I	71.9	Confident	81.9	Confident	13 Å²	13	39.5 Å²	39.5	7%	0.067	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-36.2	-173	-58.4	-169.2	0	0	0	112.1	G183 N184 S185 S186 N867 P868 M872 M1134	G183-I870 WeakPolarHBondContact O-CG1 3.05Å; N184-I870 WeakPolarHBondContact O-CD1 3.24Å; N184-I870 VanDerWaalsContact O-CG1 3.25Å; N184-I870 WeakPolarHBondContact O-CG1 3.33Å; N184-I870 WeakPolarHBondContact O-CG2 3.42Å; S185-I870 CarbonylContact C-O 3.55Å; S185-I870 CarbonylContact O-C 3.1Å; S185-I870 VanDerWaalsContact O-CA 3.25Å; S185-I870 WeakPolarHBondContact O-CA 3.36Å; S185-I870 WeakPolarHBondContact OG-CG2 3.32Å; S186-I870 PolarHBondContact N-O 3.09Å; S186-I870 VanDerWaalsContact N-O 3.14Å; S186-I870 PolarHBondContact OG-O 3.03Å; N867-I870 HydrophobicContact CB-CB 4.13Å; N867-I870 HydrophobicContact CB-CD1 4.18Å; N867-I870 HydrophobicContact CB-CG1 4.15Å; N867-I870 VanDerWaalsContact ND2-CD1 3.3Å; N867-I870 WeakPolarHBondContact ND2-CD1 3.36Å; N867-I870 PolarHBondContact O-N 2.8Å; P868-I870 PolarHBondContact O-N 3.4Å; I870-M872 HydrophobicContact CB-CB 4.29Å; I870-M872 HydrophobicContact CG2-CB 3.42Å; I870-M872 VanDerWaalsContact CG2-CB 3.42Å; I870-M872 HydrophobicContact CG2-CE 3.98Å; I870-M1134 HydrophobicContact CD1-CE 4.28Å
871	G	71.4	Confident	81.8	Confident	27 Å²	27	39.6 Å²	39.6	28%	0.278	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	14.3	-166.3	0	0	0	0	0	113.6	F866 N867	F866-G871 VanDerWaalsContact CE2-C 3.46Å; N867-G871 PolarHBondContact O-N 2.97Å
872	M	75.5	Confident	81.7	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.039	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139	178.3	176.5	168.5	48	0	0	111.3	N867 I870 L1159 M1161 E1165	N867-M872 PolarHBondContact N-O 2.86Å; I870-M872 HydrophobicContact CB-CB 4.29Å; I870-M872 HydrophobicContact CG2-CB 3.42Å; I870-M872 VanDerWaalsContact CG2-CB 3.42Å; I870-M872 HydrophobicContact CG2-CE 3.98Å; M872-L1159 HydrophobicContact CB-CD2 4.4Å; M872-L1159 HydrophobicContact CE-CD2 4.46Å; M872-L1159 HydrophobicContact CG-CD2 4.34Å; M872-L1159 HydrophobicContact CG-CG 4.46Å; M872-L1159 HydrophobicContact SD-CB 4.49Å; M872-L1159 HydrophobicContact SD-CD2 3.65Å; M872-L1159 HydrophobicContact SD-CG 3.74Å; M872-M1161 HydrophobicContact CE-CB 4.35Å; M872-M1161 HydrophobicContact CE-CE 4.02Å; M872-M1161 HydrophobicContact CE-CG 4.42Å; M872-M1161 HydrophobicContact CE-SD 4.2Å; M872-M1161 HydrophobicContact SD-CB 3.81Å; M872-M1161 HydrophobicContact SD-CG 4.45Å; M872-E1165 VanDerWaalsContact CE-CD 3.47Å; M872-E1165 HydrophobicContact CE-CG 3.78Å; M872-E1165 HydrophobicContact SD-CG 3.89Å
873	D	78.5	Confident	81.5	Confident	47 Å²	47	39.4 Å²	39.4	25%	0.251	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.9	165.7	-79	-48.3	0	0	0	110.8	K864 F866	K864-D873 WeakPolarHBondContact CE-OD1 3.49Å; K864-D873 WeakPolarHBondContact CE-OD2 3.4Å; K864-D873 HydrophobicContact CG-CB 4.49Å; K864-D873 VanDerWaalsContact NZ-CG 3.31Å; K864-D873 IonicContact NZ-OD1 3.29Å; K864-D873 IonicContact NZ-OD2 3.72Å; K864-D873 PolarHBondContact NZ-OD2 3.45Å; F866-D873 WeakPolarHBondContact CB-OD1 3.45Å; F866-D873 WeakPolarHBondContact CD2-OD1 3.49Å
874	A	80.3	Confident	81.4	Confident	10 Å²	10	38.8 Å²	38.8	8%	0.083	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.2	174.6	0	0	0	0	0	111.2	K864 V865 Q876 M1161	K864-A874 WeakPolarHBondContact CA-O 3.44Å; V865-A874 PolarHBondContact N-O 3.42Å; V865-A874 PolarHBondContact O-N 3.46Å; A874-Q876 HydrophobicContact CB-CG 4.13Å; A874-M1161 HydrophobicContact CB-CB 3.87Å; A874-M1161 HydrophobicContact CB-CG 4.4Å; A874-M1161 HydrophobicContact CB-SD 3.8Å
875	L	83.4	Confident	81.5	Confident	110 Å²	110	34 Å²	34	58%	0.576	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	101.5	171.6	-176.2	69.2	0	0	0	109.1	K862	K862-L875 HydrophobicContact CB-CD1 4.04Å; K862-L875 HydrophobicContact CB-CG 4.21Å
876	Q	84.8	Confident	81.4	Confident	76 Å²	76	36.3 Å²	36.3	36%	0.355	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154.5	-173.1	-65.6	179.2	1.3	0	0	111.8	K862 L863 A874 Y878	K862-Q876 WeakPolarHBondContact CA-O 3.4Å; L863-Q876 PolarHBondContact N-O 2.9Å; L863-Q876 PolarHBondContact O-N 3.14Å; L863-Q876 VanDerWaalsContact O-N 3.1Å; A874-Q876 HydrophobicContact CB-CG 4.13Å; Q876-Y878 HydrophobicContact CB-CD2 4.2Å; Q876-Y878 HydrophobicContact CB-CE2 3.62Å; Q876-Y878 WeakPolarHBondContact O-CD2 3.22Å; Q876-Y878 PolarHBondContact OE1-OH 2.9Å
877	V	87.5	Confident	81.4	Confident	26 Å²	26	37 Å²	37	16%	0.158	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.8	176.3	-173.2	0	0	0	0	109.4	S474 P781 Y860 C861 K862	S474-V877 WeakPolarHBondContact CB-O 3.35Å; S474-V877 PolarHBondContact OG-O 2.58Å; P781-V877 HydrophobicContact CB-CG1 4.15Å; Y860-V877 HydrophobicContact CD1-CG1 4.27Å; Y860-V877 HydrophobicContact CG-CG1 4.27Å; C861-V877 WeakPolarHBondContact O-CA 3.49Å; K862-V877 HydrophobicContact CD-CG2 4.19Å; K862-V877 HydrophobicContact CG-CG2 3.7Å
878	Y	88.8	Confident	81.8	Confident	20 Å²	20	34.2 Å²	34.2	8%	0.078	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.9	179.7	-74.2	-73.8	0	0	0	111	P462 V463 Y860 C861 L863 V865 Q876	P462-Y878 HydrophobicContact CG-CD1 3.88Å; P462-Y878 HydrophobicContact CG-CD2 3.93Å; P462-Y878 HydrophobicContact CG-CE1 3.71Å; P462-Y878 HydrophobicContact CG-CE2 3.76Å; P462-Y878 HydrophobicContact CG-CG 3.97Å; V463-Y878 HydrophobicContact CG2-CD1 3.42Å; V463-Y878 VanDerWaalsContact CG2-CD1 3.42Å; V463-Y878 HydrophobicContact CG2-CE1 3.63Å; Y860-Y878 WeakPolarHBondContact CA-O 3.5Å; C861-Y878 PolarHBondContact N-O 3.39Å; C861-Y878 PolarHBondContact O-N 3.39Å; L863-Y878 HydrophobicContact CB-CD2 4.06Å; L863-Y878 HydrophobicContact CD1-CD2 4.36Å; V865-Y878 HydrophobicContact CG2-CD2 4.49Å; V865-Y878 HydrophobicContact CG2-CE2 3.67Å; Q876-Y878 HydrophobicContact CB-CD2 4.2Å; Q876-Y878 HydrophobicContact CB-CE2 3.62Å; Q876-Y878 WeakPolarHBondContact O-CD2 3.22Å; Q876-Y878 PolarHBondContact OE1-OH 2.9Å
879	P	89.6	Confident	82.4	Confident	16 Å²	16	33.7 Å²	33.7	10%	0.104	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	148.9	168.4	28.8	-34.7	0	0	0	110.9	M470 G859	M470-P879 HydrophobicContact CB-CB 4.37Å; M470-P879 HydrophobicContact CE-CB 4.08Å; G859-P879 WeakPolarHBondContact O-CA 3.18Å
880	I	89.1	Confident	83	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.021	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-78.3	165.1	175.9	67.7	-176.2	0	0	0	112.5	D857 G859 C861 N884 A885 M915	D857-I880 WeakPolarHBondContact OD2-CD1 3.34Å; G859-I880 PolarHBondContact O-N 2.99Å; C861-I880 HydrophobicContact CB-CG2 4Å; I880-N884 HydrophobicContact CB-CB 4.16Å; I880-A885 HydrophobicContact CD1-CB 3.77Å; I880-A885 HydrophobicContact CG1-CB 4.28Å; I880-M915 HydrophobicContact CG1-CE 4.24Å
881	S	87.5	Confident	83.5	Confident	4 Å²	4	27.2 Å²	27.2	3%	0.028	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-79.8	160.7	168.6	90.9	0	0	0	0	112.4	A883 N884 A885 L916 T919	S881-A883 PolarHBondContact O-N 3.38Å; S881-A883 PolarHBondContact OG-N 3.41Å; S881-N884 PolarHBondContact O-N 2.82Å; S881-N884 PolarHBondContact OG-N 3.16Å; S881-N884 PolarHBondContact OG-OD1 2.68Å; S881-A885 PolarHBondContact O-N 3.27Å; S881-L916 CarbonylContact C-O 3.6Å; S881-L916 WeakPolarHBondContact CA-O 3.23Å; S881-L916 WeakPolarHBondContact CB-O 3.4Å; S881-T919 PolarHBondContact OG-N 3.01Å
882	Q	85.3	Confident	84.1	Confident	39 Å²	39	26 Å²	26	18%	0.182	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-36.4	173.3	-63.4	174.8	17	0	0	111.9	A885 N886 Y911 K912 M915 L916	Q882-A885 PolarHBondContact O-N 2.92Å; Q882-N886 WeakPolarHBondContact O-CB 3.34Å; Q882-N886 PolarHBondContact O-N 3.49Å; Q882-N886 PolarHBondContact O-ND2 2.88Å; Q882-N886 PolarHBondContact O-OD1 2.96Å; Q882-Y911 HydrophobicContact CB-CE2 3.9Å; Q882-Y911 HydrophobicContact CG-CD2 4.28Å; Q882-Y911 HydrophobicContact CG-CE1 4.46Å; Q882-Y911 HydrophobicContact CG-CE2 3.87Å; Q882-Y911 VanDerWaalsContact CG-O 3.31Å; Q882-Y911 WeakPolarHBondContact CG-O 3.31Å; Q882-Y911 PolarHBondContact NE2-O 3.13Å; Q882-K912 PolarHBondContact NE2-O 2.88Å; Q882-M915 HydrophobicContact CG-CB 3.96Å; Q882-M915 PolarHBondContact NE2-O 3.35Å; Q882-L916 PolarHBondContact N-O 3.44Å
883	A	82.6	Confident	84.3	Confident	27 Å²	27	25.6 Å²	25.6	22%	0.223	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-47.2	174.9	0	0	0	0	0	112	S881 N886 Q887 T917	S881-A883 PolarHBondContact O-N 3.38Å; S881-A883 PolarHBondContact OG-N 3.41Å; A883-N886 PolarHBondContact O-N 3.09Å; A883-N886 VanDerWaalsContact O-N 3.15Å; A883-Q887 WeakPolarHBondContact O-CG 3.12Å; A883-Q887 PolarHBondContact O-N 3.06Å; A883-T917 PolarHBondContact N-O 2.89Å
884	N	83.3	Confident	84.2	Confident	21 Å²	21	26 Å²	26	11%	0.112	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-44.3	177.2	-62.5	71.5	0	0	0	111	E844 I880 S881 N886 Q887 R888 T919	E844-N884 WeakPolarHBondContact OE1-CB 3.47Å; E844-N884 PolarHBondContact OE1-ND2 2.81Å; I880-N884 HydrophobicContact CB-CB 4.16Å; S881-N884 PolarHBondContact O-N 2.82Å; S881-N884 PolarHBondContact OG-N 3.16Å; S881-N884 PolarHBondContact OG-OD1 2.68Å; N884-N886 PolarHBondContact O-N 3.16Å; N884-Q887 PolarHBondContact O-N 2.96Å; N884-Q887 VanDerWaalsContact O-N 3.12Å; N884-R888 WeakPolarHBondContact O-CG 3.37Å; N884-R888 PolarHBondContact O-N 3.47Å; N884-T919 VanDerWaalsContact OD1-CG2 3.23Å; N884-T919 WeakPolarHBondContact OD1-CG2 3.31Å
885	A	85.4	Confident	83.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-31.5	174.5	0	0	0	0	0	112.9	I880 S881 Q882 A889 R902 Y911	I880-A885 HydrophobicContact CD1-CB 3.77Å; I880-A885 HydrophobicContact CG1-CB 4.28Å; S881-A885 PolarHBondContact O-N 3.27Å; Q882-A885 PolarHBondContact O-N 2.92Å; A885-A889 WeakPolarHBondContact O-CB 3.31Å; A885-A889 PolarHBondContact O-N 3.4Å; A885-A889 VanDerWaalsContact O-N 3.17Å; A885-R902 VanDerWaalsContact C-NH2 3.25Å; A885-R902 PolarHBondContact O-NH2 2.83Å; A885-Y911 HydrophobicContact CB-CD2 4.47Å; A885-Y911 HydrophobicContact CB-CE2 3.95Å
886	N	83.6	Confident	83.7	Confident	75 Å²	75	23.9 Å²	23.9	40%	0.401	13%	0.133	S	C	.	.	H	α-helix	trans	-77.9	-38.3	175	-67.1	-15.5	0	0	0	111.9	Q882 A883 N884 A889 G890 R902 Y911	Q882-N886 WeakPolarHBondContact O-CB 3.34Å; Q882-N886 PolarHBondContact O-N 3.49Å; Q882-N886 PolarHBondContact O-ND2 2.88Å; Q882-N886 PolarHBondContact O-OD1 2.96Å; A883-N886 PolarHBondContact O-N 3.09Å; A883-N886 VanDerWaalsContact O-N 3.15Å; N884-N886 PolarHBondContact O-N 3.16Å; N886-A889 PolarHBondContact O-N 2.93Å; N886-G890 PolarHBondContact O-N 2.8Å; N886-R902 PolarHBondContact OD1-NH2 3.07Å; N886-Y911 PolarHBondContact ND2-OH 3.26Å; N886-Y911 PolarHBondContact OD1-OH 2.93Å
887	Q	83.1	Confident	83.6	Confident	26 Å²	26	24.3 Å²	24.3	12%	0.121	14%	0.143	C	C	.	.	H	α-helix	trans	-64	-38.3	172.8	-70.4	-174.8	-14.2	0	0	113.1	H688 T719 E844 A883 N884 G890 R891	H688-Q887 PolarHBondContact CD2-NE2 2.85Å; H688-Q887 PolarHBondContact NE2-NE2 2.85Å; T719-Q887 VanDerWaalsContact CG2-NE2 3.28Å; E844-Q887 HydrophobicContact CG-CB 4.38Å; A883-Q887 WeakPolarHBondContact O-CG 3.12Å; A883-Q887 PolarHBondContact O-N 3.06Å; N884-Q887 PolarHBondContact O-N 2.96Å; N884-Q887 VanDerWaalsContact O-N 3.12Å; Q887-G890 PolarHBondContact O-N 2.86Å; Q887-R891 PolarHBondContact O-N 2.82Å; Q887-R891 PolarHBondContact O-NE 3.23Å
888	R	86.5	Confident	83.5	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-50.4	171.8	-69.7	-179	-177.8	-165.2	-4.8	111	F779 N841 E844 D857 Y860 N884 G890 R891	F779-R888 HydrophobicContact CD1-CG 4.25Å; F779-R888 HydrophobicContact CD2-CB 4.04Å; F779-R888 HydrophobicContact CD2-CG 3.88Å; F779-R888 HydrophobicContact CE1-CG 4.07Å; F779-R888 HydrophobicContact CE2-CB 3.71Å; F779-R888 HydrophobicContact CE2-CG 3.68Å; F779-R888 HydrophobicContact CG-CG 4.15Å; F779-R888 HydrophobicContact CZ-CB 4.19Å; F779-R888 HydrophobicContact CZ-CG 3.79Å; N841-R888 VanDerWaalsContact CG-NH2 3.32Å; N841-R888 PolarHBondContact ND2-NH2 2.83Å; N841-R888 PolarHBondContact OD1-NH2 3.43Å; E844-R888 HydrophobicContact CG-CG 3.83Å; E844-R888 IonicContact OE2-CZ 2.69Å; E844-R888 IonicContact OE2-NE 2.86Å; E844-R888 PolarHBondContact OE2-NE 2.64Å; E844-R888 IonicContact OE2-NH2 3.25Å; E844-R888 PolarHBondContact OE2-NH2 2.96Å; D857-R888 WeakPolarHBondContact OD1-CD 3.05Å; D857-R888 IonicContact OD1-CZ 2.73Å; D857-R888 IonicContact OD1-NE 2.71Å; D857-R888 IonicContact OD1-NH1 2.79Å; D857-R888 PolarHBondContact OD1-NH1 2.92Å; Y860-R888 PolarHBondContact O-NH1 3.46Å; Y860-R888 VanDerWaalsContact O-NH1 3.11Å; N884-R888 WeakPolarHBondContact O-CG 3.37Å; N884-R888 PolarHBondContact O-N 3.47Å; R888-G890 VanDerWaalsContact C-N 3.32Å; R888-G890 PolarHBondContact O-N 3.36Å; R888-R891 VanDerWaalsContact O-CB 3.28Å; R888-R891 WeakPolarHBondContact O-CB 3.31Å; R888-R891 VanDerWaalsContact O-CG 3.31Å; R888-R891 WeakPolarHBondContact O-CG 3.41Å; R888-R891 PolarHBondContact O-N 2.9Å; R888-R891 VanDerWaalsContact O-N 3.1Å
889	A	84.4	Confident	83.3	Confident	5 Å²	5	24 Å²	24	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-58.1	-43.5	176.4	0	0	0	0	0	112.3	A885 N886 R891 A892 C900	A885-A889 WeakPolarHBondContact O-CB 3.31Å; A885-A889 PolarHBondContact O-N 3.4Å; A885-A889 VanDerWaalsContact O-N 3.17Å; N886-A889 PolarHBondContact O-N 2.93Å; A889-R891 PolarHBondContact O-N 3.23Å; A889-A892 PolarHBondContact O-N 3.43Å; A889-A892 VanDerWaalsContact O-N 3.08Å; A889-C900 HydrophobicContact CB-CB 3.79Å; A889-C900 VanDerWaalsContact CB-SG 3.56Å
890	G	80.9	Confident	82.9	Confident	23 Å²	23	23.2 Å²	23.2	24%	0.237	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-9.9	177	0	0	0	0	0	115.2	N886 Q887 R888 A892	N886-G890 PolarHBondContact O-N 2.8Å; Q887-G890 PolarHBondContact O-N 2.86Å; R888-G890 VanDerWaalsContact C-N 3.32Å; R888-G890 PolarHBondContact O-N 3.36Å; G890-A892 VanDerWaalsContact C-N 3.34Å
891	R	82.9	Confident	82.4	Confident	8 Å²	8	24.2 Å²	24.2	3%	0.03	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-34.2	171.1	-60.3	-65.5	129.1	158.2	-14.3	112.5	L777 F779 A843 E844 T845 L847 V855 Q887 R888 A889 R894	L777-R891 HydrophobicContact CD2-CB 4.27Å; L777-R891 HydrophobicContact CD2-CG 4.32Å; F779-R891 HydrophobicContact CZ-CG 4.25Å; A843-R891 WeakPolarHBondContact O-CD 3.3Å; A843-R891 PolarHBondContact O-NH1 3.12Å; E844-R891 PolarHBondContact O-NE 3.39Å; E844-R891 PolarHBondContact O-NH1 3.09Å; E844-R891 PolarHBondContact O-NH2 2.94Å; T845-R891 PolarHBondContact O-NH1 2.66Å; T845-R891 PolarHBondContact O-NH2 3.11Å; L847-R891 PolarHBondContact O-NH1 2.8Å; V855-R891 HydrophobicContact CG2-CB 3.94Å; Q887-R891 PolarHBondContact O-N 2.82Å; Q887-R891 PolarHBondContact O-NE 3.23Å; R888-R891 VanDerWaalsContact O-CB 3.28Å; R888-R891 WeakPolarHBondContact O-CB 3.31Å; R888-R891 VanDerWaalsContact O-CG 3.31Å; R888-R891 WeakPolarHBondContact O-CG 3.41Å; R888-R891 PolarHBondContact O-N 2.9Å; R888-R891 VanDerWaalsContact O-N 3.1Å; A889-R891 PolarHBondContact O-N 3.23Å; R891-R894 VanDerWaalsContact CZ-CZ 3.41Å; R891-R894 VanDerWaalsContact NH1-NH1 3.15Å
892	A	83.6	Confident	81.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-70.6	-36.9	-179.1	0	0	0	0	0	112.5	V744 V855 A889 G890 R894	V744-A892 HydrophobicContact CG1-CB 4.04Å; V744-A892 HydrophobicContact CG2-CB 4.16Å; V855-A892 HydrophobicContact CG2-CB 3.86Å; A889-A892 PolarHBondContact O-N 3.43Å; A889-A892 VanDerWaalsContact O-N 3.08Å; G890-A892 VanDerWaalsContact C-N 3.34Å; A892-R894 PolarHBondContact O-N 2.91Å; A892-R894 VanDerWaalsContact O-N 3.16Å
893	G	78.3	Confident	79.5	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-78.8	11.3	-175.4	0	0	0	0	0	115.5	T741 F742 V744	T741-G893 CarbonylContact C-O 3.54Å; T741-G893 VanDerWaalsContact CA-O 3.28Å; T741-G893 WeakPolarHBondContact CA-O 3.46Å; F742-G893 PolarHBondContact N-O 3.48Å; V744-G893 VanDerWaalsContact CG2-CA 3.45Å; V744-G893 VanDerWaalsContact CG2-N 3.32Å
894	R	77.3	Confident	77.6	Confident	57 Å²	57	27.5 Å²	27.5	22%	0.215	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-83.3	-40.9	-172	-80.7	174.1	160.9	-172.8	-10.8	114.2	T590 L847 R891 A892	T590-R894 PolarHBondContact OG1-NH2 3.25Å; L847-R894 PolarHBondContact O-NH1 3.01Å; R891-R894 VanDerWaalsContact CZ-CZ 3.41Å; R891-R894 VanDerWaalsContact NH1-NH1 3.15Å; A892-R894 PolarHBondContact O-N 2.91Å; A892-R894 VanDerWaalsContact O-N 3.16Å
895	T	73.5	Confident	76.3	Confident	68 Å²	68	26.8 Å²	26.8	42%	0.417	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-21.4	-177.2	37.7	0	0	0	0	113.9	I852	I852-T895 PolarHBondContact O-OG1 2.93Å
896	G	79.8	Confident	75.2	Confident	7 Å²	7	26.9 Å²	26.9	7%	0.072	14%	0.143	C	C	.	.	S	Bend	trans	-171.5	-179.5	178.2	0	0	0	0	0	110.8	F742 G898	F742-G896 VanDerWaalsContact CB-C 3.42Å; F742-G896 WeakPolarHBondContact CB-O 3.49Å; F742-G896 VanDerWaalsContact CD2-CA 3.46Å; G896-G898 PolarHBondContact O-N 3.25Å
897	P	83.3	Confident	75	Confident	85 Å²	85	24.6 Å²	24.6	55%	0.552	13%	0.131	S	C	*	.	S	Bend	trans	-64.2	120.6	175.1	27.6	-34	0	0	0	110	F742 P743 M853	F742-P897 HydrophobicContact CB-CB 4.49Å; P743-P897 WeakPolarHBondContact O-CA 3.48Å; M853-P897 WeakPolarHBondContact CE-O 3.4Å
898	G	84.1	Confident	75	Confident	3 Å²	3	28.4 Å²	28.4	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	174.5	-168.8	0	0	0	0	0	113.7	P743 V744 D745 M853 G896	P743-G898 PolarHBondContact O-N 2.78Å; V744-G898 VanDerWaalsContact CA-O 3.29Å; V744-G898 WeakPolarHBondContact CA-O 3.25Å; D745-G898 PolarHBondContact N-O 3.31Å; M853-G898 CarbonylContact O-C 3.53Å; M853-G898 VanDerWaalsContact O-CA 3.24Å; M853-G898 WeakPolarHBondContact O-CA 3.32Å; G896-G898 PolarHBondContact O-N 3.25Å
899	Q	85.2	Confident	74.8	Confident	36 Å²	36	31.4 Å²	31.4	17%	0.168	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.3	174.9	-56.7	-166.9	-38.8	0	0	111.1	D745 M853 F854 V855 Y901	D745-Q899 HydrophobicContact CB-CG 4.16Å; D745-Q899 PolarHBondContact OD2-NE2 2.87Å; M853-Q899 PolarHBondContact O-N 3.1Å; F854-Q899 WeakPolarHBondContact CA-O 3.37Å; F854-Q899 HydrophobicContact CD1-CB 4.17Å; F854-Q899 HydrophobicContact CE1-CB 4.45Å; F854-Q899 HydrophobicContact CE1-CG 4.48Å; V855-Q899 PolarHBondContact N-O 2.71Å; Q899-Y901 HydrophobicContact CB-CD2 4.35Å; Q899-Y901 HydrophobicContact CB-CE2 3.78Å; Q899-Y901 PolarHBondContact OE1-OH 2.9Å
900	C	81.4	Confident	74.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	103.8	174.3	-176.9	0	0	0	0	110	V744 D745 L747 V855 A889 R902	V744-C900 HydrophobicContact CG1-CB 3.67Å; D745-C900 PolarHBondContact O-N 3.33Å; L747-C900 PolarHBondContact N-O 2.84Å; V855-C900 CarbonylContact O-C 3.5Å; V855-C900 WeakPolarHBondContact O-CA 3.14Å; A889-C900 HydrophobicContact CB-CB 3.79Å; A889-C900 VanDerWaalsContact CB-SG 3.56Å; C900-R902 PolarHBondContact O-N 3.4Å
901	Y	79.2	Confident	74.8	Confident	24 Å²	24	31.6 Å²	31.6	9%	0.094	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	92.1	170.6	-65.8	-91.4	0	0	0	109.3	L747 Q763 I767 F854 V855 V856 D857 Q899 Q903	L747-Y901 HydrophobicContact CB-CD1 4.36Å; L747-Y901 HydrophobicContact CD1-CD1 3.78Å; L747-Y901 HydrophobicContact CD1-CE1 3.37Å; L747-Y901 HydrophobicContact CD1-CE2 4.48Å; Q763-Y901 HydrophobicContact CG-CD1 4.23Å; Q763-Y901 HydrophobicContact CG-CG 4.26Å; I767-Y901 HydrophobicContact CD1-CD1 4.49Å; I767-Y901 HydrophobicContact CD1-CD2 3.47Å; I767-Y901 VanDerWaalsContact CD1-CD2 3.47Å; I767-Y901 HydrophobicContact CD1-CE2 3.59Å; I767-Y901 HydrophobicContact CD1-CG 3.97Å; I767-Y901 HydrophobicContact CG1-CD2 4.25Å; I767-Y901 HydrophobicContact CG1-CE2 3.86Å; F854-Y901 HydrophobicContact CD1-CE2 4.09Å; V855-Y901 PolarHBondContact O-N 2.68Å; V856-Y901 WeakPolarHBondContact CA-O 3.34Å; D857-Y901 PolarHBondContact N-O 2.89Å; D857-Y901 VanDerWaalsContact N-O 3.09Å; Q899-Y901 HydrophobicContact CB-CD2 4.35Å; Q899-Y901 HydrophobicContact CB-CE2 3.78Å; Q899-Y901 PolarHBondContact OE1-OH 2.9Å; Y901-Q903 HydrophobicContact CD1-CB 4.32Å
902	R	70.9	Confident	74.8	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.008	19%	0.187	C	C	.	.			trans	-76.1	-13.7	155.8	-56.6	-179.7	177.6	174.4	-2.3	110.4	I746 L747 F748 A885 N886 C900 R904 L905 Y906	I746-R902 HydrophobicContact CG2-CG 4.16Å; L747-R902 CarbonylContact O-C 3.55Å; L747-R902 WeakPolarHBondContact O-CA 3.35Å; L747-R902 WeakPolarHBondContact O-CB 3.37Å; L747-R902 PolarHBondContact O-N 3.09Å; F748-R902 HydrophobicContact CD1-CB 4.35Å; A885-R902 VanDerWaalsContact C-NH2 3.25Å; A885-R902 PolarHBondContact O-NH2 2.83Å; N886-R902 PolarHBondContact OD1-NH2 3.07Å; C900-R902 PolarHBondContact O-N 3.4Å; R902-R904 PolarHBondContact O-N 2.88Å; R902-L905 PolarHBondContact O-N 3.32Å; R902-Y906 HydrophobicContact CB-CE1 4.43Å; R902-Y906 HydrophobicContact CB-CE2 4.14Å; R902-Y906 WeakPolarHBondContact CD-OH 2.77Å; R902-Y906 HydrophobicContact CG-CE2 4.33Å; R902-Y906 WeakPolarHBondContact CG-OH 3.44Å
903	Q	40	Very low	74.9	Confident	57 Å²	57	41.3 Å²	41.3	27%	0.266	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	122.6	156.6	-75.7	176.6	0.9	0	0	109.5	L747 F748 Y901	L747-Q903 HydrophobicContact CB-CG 4.18Å; L747-Q903 PolarHBondContact O-N 3.36Å; F748-Q903 WeakPolarHBondContact O-CG 3.19Å; F748-Q903 PolarHBondContact O-NE2 3.24Å; Y901-Q903 HydrophobicContact CD1-CB 4.32Å
904	R	43.9	Very low	75	Confident	80 Å²	80	43.2 Å²	43.2	30%	0.302	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	cis	-131.4	64.4	19.6	-65.4	174.9	159.6	109.2	-5.1	112.2	Q753 A759 Q766 R902	Q753-R904 VanDerWaalsContact CB-O 3.31Å; Q753-R904 WeakPolarHBondContact CB-O 3.29Å; Q753-R904 HydrophobicContact CG-CB 4.35Å; Q753-R904 WeakPolarHBondContact CG-O 3.35Å; A759-R904 HydrophobicContact CB-CB 4.21Å; Q766-R904 VanDerWaalsContact OE1-CZ 3.3Å; R902-R904 PolarHBondContact O-N 2.88Å
905	L	54.8	Low	75.3	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.037	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-52.6	-176.6	-92.8	156.3	0	0	0	116.9	Q753 A759 S858 Y860 R902	Q753-L905 HydrophobicContact CB-CD2 4.3Å; Q753-L905 PolarHBondContact N-O 3.28Å; Q753-L905 WeakPolarHBondContact O-CD2 2.97Å; A759-L905 HydrophobicContact CB-CG 4.26Å; S858-L905 WeakPolarHBondContact O-CD1 3.37Å; Y860-L905 HydrophobicContact CE2-CD2 4.39Å; R902-L905 PolarHBondContact O-N 3.32Å
906	Y	63.2	Low	75.9	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.008	20%	0.202	C	C	.	.			trans	-119.8	144.3	-178.6	56.6	-89.3	0	0	0	110.7	M470 D857 G859 R902 Y911 M915	M470-Y906 HydrophobicContact CE-CD1 4.1Å; M470-Y906 HydrophobicContact CE-CG 4.21Å; M470-Y906 HydrophobicContact SD-CG 4.24Å; D857-Y906 PolarHBondContact OD2-OH 2.96Å; G859-Y906 VanDerWaalsContact CA-CE1 3.41Å; R902-Y906 HydrophobicContact CB-CE1 4.43Å; R902-Y906 HydrophobicContact CB-CE2 4.14Å; R902-Y906 WeakPolarHBondContact CD-OH 2.77Å; R902-Y906 HydrophobicContact CG-CE2 4.33Å; R902-Y906 WeakPolarHBondContact CG-OH 3.44Å; Y906-Y911 HydrophobicContact CE2-CD2 4.09Å; Y906-M915 HydrophobicContact CD1-CE 3.9Å; Y906-M915 HydrophobicContact CD2-CE 3.54Å; Y906-M915 HydrophobicContact CD2-SD 4.43Å; Y906-M915 HydrophobicContact CE1-CE 3.9Å; Y906-M915 HydrophobicContact CE2-CE 3.52Å; Y906-M915 HydrophobicContact CE2-SD 4.17Å; Y906-M915 HydrophobicContact CG-CE 3.72Å
907	T	79.6	Confident	76.2	Confident	26 Å²	26	43.9 Å²	43.9	16%	0.16	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-80	167.4	-178.4	67	0	0	0	0	110.8	S909 A910 Y911	T907-S909 PolarHBondContact O-N 3.15Å; T907-S909 WeakPolarHBondContact OG1-CB 3Å; T907-S909 PolarHBondContact OG1-N 2.98Å; T907-A910 PolarHBondContact O-N 3.27Å; T907-A910 PolarHBondContact OG1-N 2.91Å; T907-Y911 PolarHBondContact O-N 3.36Å
908	Q	82.5	Confident	76.2	Confident	106 Å²	106	42 Å²	42	50%	0.495	21%	0.214	S	C	.	.	H	α-helix	trans	-64	-24.2	170.6	-158.2	-171	32.8	0	0	112.2	F748 K912	F748-Q908 HydrophobicContact CB-CB 4.39Å; F748-Q908 HydrophobicContact CD1-CB 4.2Å; F748-Q908 HydrophobicContact CD1-CG 4.36Å; F748-Q908 HydrophobicContact CD2-CG 4.27Å; F748-Q908 HydrophobicContact CE1-CG 4.33Å; F748-Q908 HydrophobicContact CE2-CG 4.24Å; F748-Q908 HydrophobicContact CG-CB 4.14Å; F748-Q908 HydrophobicContact CG-CG 4.32Å; F748-Q908 HydrophobicContact CZ-CG 4.27Å; Q908-K912 WeakPolarHBondContact O-CG 3.25Å; Q908-K912 PolarHBondContact O-N 3.05Å
909	S	81.9	Confident	76.1	Confident	64 Å²	64	44.3 Å²	44.3	45%	0.448	23%	0.227	S	C	.	.	H	α-helix	trans	-66.6	-53.8	170	-173.2	0	0	0	0	110.3	T907 Y911 K912 N913	T907-S909 PolarHBondContact O-N 3.15Å; T907-S909 WeakPolarHBondContact OG1-CB 3Å; T907-S909 PolarHBondContact OG1-N 2.98Å; S909-Y911 VanDerWaalsContact C-N 3.31Å; S909-Y911 PolarHBondContact O-N 3.24Å; S909-K912 PolarHBondContact O-N 2.92Å; S909-N913 VanDerWaalsContact O-CB 3.27Å; S909-N913 WeakPolarHBondContact O-CB 3.36Å; S909-N913 PolarHBondContact O-N 3.48Å; S909-N913 PolarHBondContact O-ND2 3.49Å; S909-N913 PolarHBondContact OG-ND2 3.35Å
910	A	80.6	Confident	76.1	Confident	3 Å²	3	43.7 Å²	43.7	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-55.1	-44.5	179.6	0	0	0	0	0	112.6	M470 T907 K912 N913 E914 M915	M470-A910 HydrophobicContact SD-CB 4.17Å; T907-A910 PolarHBondContact O-N 3.27Å; T907-A910 PolarHBondContact OG1-N 2.91Å; A910-K912 VanDerWaalsContact C-N 3.31Å; A910-K912 PolarHBondContact O-N 3.48Å; A910-N913 PolarHBondContact O-N 2.78Å; A910-E914 WeakPolarHBondContact CA-OE1 3.32Å; A910-E914 HydrophobicContact CB-CG 4.44Å; A910-E914 WeakPolarHBondContact CB-OE1 3.46Å; A910-E914 WeakPolarHBondContact O-CB 3.22Å; A910-E914 PolarHBondContact O-N 3.35Å; A910-M915 PolarHBondContact O-N 2.61Å; A910-M915 VanDerWaalsContact O-N 3.1Å
911	Y	84	Confident	76.2	Confident	28 Å²	28	44.1 Å²	44.1	11%	0.11	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-39.3	175.8	175.8	-99.3	0	0	0	113.4	F748 Q882 A885 N886 Y906 T907 S909 M915	F748-Y911 HydrophobicContact CE1-CD1 4.15Å; F748-Y911 HydrophobicContact CE1-CD2 4.42Å; F748-Y911 AromaticContact CE1-CG 3.87Å; F748-Y911 HydrophobicContact CE1-CG 3.87Å; F748-Y911 HydrophobicContact CZ-CD1 4.24Å; F748-Y911 HydrophobicContact CZ-CG 4.37Å; Q882-Y911 HydrophobicContact CB-CE2 3.9Å; Q882-Y911 HydrophobicContact CG-CD2 4.28Å; Q882-Y911 HydrophobicContact CG-CE1 4.46Å; Q882-Y911 HydrophobicContact CG-CE2 3.87Å; Q882-Y911 VanDerWaalsContact CG-O 3.31Å; Q882-Y911 WeakPolarHBondContact CG-O 3.31Å; Q882-Y911 PolarHBondContact NE2-O 3.13Å; A885-Y911 HydrophobicContact CB-CD2 4.47Å; A885-Y911 HydrophobicContact CB-CE2 3.95Å; N886-Y911 PolarHBondContact ND2-OH 3.26Å; N886-Y911 PolarHBondContact OD1-OH 2.93Å; Y906-Y911 HydrophobicContact CE2-CD2 4.09Å; T907-Y911 PolarHBondContact O-N 3.36Å; S909-Y911 VanDerWaalsContact C-N 3.31Å; S909-Y911 PolarHBondContact O-N 3.24Å; Y911-M915 HydrophobicContact CD2-SD 3.77Å
912	K	84.6	Confident	76.5	Confident	120 Å²	120	46.8 Å²	46.8	52%	0.522	24%	0.241	S	C	.	.	H	α-helix	trans	-83.6	-37.2	179.7	-69.7	-179	178.4	-178.4	0	113.1	Q882 Q908 S909 A910	Q882-K912 PolarHBondContact NE2-O 2.88Å; Q908-K912 WeakPolarHBondContact O-CG 3.25Å; Q908-K912 PolarHBondContact O-N 3.05Å; S909-K912 PolarHBondContact O-N 2.92Å; A910-K912 VanDerWaalsContact C-N 3.31Å; A910-K912 PolarHBondContact O-N 3.48Å
913	N	84.1	Confident	77.1	Confident	93 Å²	93	46.7 Å²	46.7	50%	0.497	24%	0.24	S	C	.	.	H	α-helix	trans	-105.3	-40.6	-163	-64.2	-28	0	0	0	113.3	K464 S909 A910	K464-N913 WeakPolarHBondContact CD-O 3.29Å; K464-N913 WeakPolarHBondContact CE-O 3.49Å; K464-N913 PolarHBondContact NZ-O 3.17Å; S909-N913 VanDerWaalsContact O-CB 3.27Å; S909-N913 WeakPolarHBondContact O-CB 3.36Å; S909-N913 PolarHBondContact O-N 3.48Å; S909-N913 PolarHBondContact O-ND2 3.49Å; S909-N913 PolarHBondContact OG-ND2 3.35Å; A910-N913 PolarHBondContact O-N 2.78Å
914	E	81.7	Confident	79.3	Confident	40 Å²	40	45.2 Å²	45.2	19%	0.187	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-39.7	-176.4	-64.4	167.4	-118.7	0	0	112	K464 M470 A910	K464-E914 WeakPolarHBondContact CB-O 3.38Å; M470-E914 WeakPolarHBondContact CG-OE2 3.43Å; M470-E914 PolarHBondContact N-OE2 2.9Å; A910-E914 WeakPolarHBondContact CA-OE1 3.32Å; A910-E914 HydrophobicContact CB-CG 4.44Å; A910-E914 WeakPolarHBondContact CB-OE1 3.46Å; A910-E914 WeakPolarHBondContact O-CB 3.22Å; A910-E914 PolarHBondContact O-N 3.35Å
915	M	83.9	Confident	81.3	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.223	C	C	.	.	S	Bend	trans	-71	141.1	179.5	-65.8	-175.3	172	0	0	112.4	M470 I880 Q882 Y906 A910 Y911	M470-M915 HydrophobicContact CE-CE 3.73Å; M470-M915 HydrophobicContact SD-CE 3.75Å; I880-M915 HydrophobicContact CG1-CE 4.24Å; Q882-M915 HydrophobicContact CG-CB 3.96Å; Q882-M915 PolarHBondContact NE2-O 3.35Å; Y906-M915 HydrophobicContact CD1-CE 3.9Å; Y906-M915 HydrophobicContact CD2-CE 3.54Å; Y906-M915 HydrophobicContact CD2-SD 4.43Å; Y906-M915 HydrophobicContact CE1-CE 3.9Å; Y906-M915 HydrophobicContact CE2-CE 3.52Å; Y906-M915 HydrophobicContact CE2-SD 4.17Å; Y906-M915 HydrophobicContact CG-CE 3.72Å; A910-M915 PolarHBondContact O-N 2.61Å; A910-M915 VanDerWaalsContact O-N 3.1Å; Y911-M915 HydrophobicContact CD2-SD 3.77Å
916	L	85.6	Confident	82.7	Confident	48 Å²	48	43.1 Å²	43.1	25%	0.251	23%	0.227	S	C	.	.			trans	-67	147	166.1	-65.2	168.7	0	0	0	109.8	K464 S881 Q882 T918 I920	K464-L916 HydrophobicContact CB-CD2 3.84Å; K464-L916 HydrophobicContact CB-CG 4.37Å; K464-L916 HydrophobicContact CG-CD2 4.35Å; S881-L916 CarbonylContact C-O 3.6Å; S881-L916 WeakPolarHBondContact CA-O 3.23Å; S881-L916 WeakPolarHBondContact CB-O 3.4Å; Q882-L916 PolarHBondContact N-O 3.44Å; L916-T918 WeakPolarHBondContact CB-O 3.35Å; L916-I920 HydrophobicContact CD1-CD1 3.7Å; L916-I920 HydrophobicContact CD1-CG1 4.32Å
917	T	85	Confident	83.6	Confident	95 Å²	95	45.2 Å²	45.2	58%	0.583	24%	0.239	S	C	*	.	S	Bend	trans	-66.8	-48.4	178.2	44.7	0	0	0	0	111.6	A883	A883-T917 PolarHBondContact N-O 2.89Å
918	T	83.1	Confident	83.8	Confident	47 Å²	47	44.1 Å²	44.1	29%	0.288	23%	0.232	S	C	.	.	S	Bend	trans	-118	157.4	174.2	56	0	0	0	0	110.5	L916	L916-T918 WeakPolarHBondContact CB-O 3.35Å
919	T	83.3	Confident	84	Confident	50 Å²	50	39.4 Å²	39.4	31%	0.307	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-65.5	142.9	164.7	33.4	0	0	0	0	110.6	S881 N884	S881-T919 PolarHBondContact OG-N 3.01Å; N884-T919 VanDerWaalsContact OD1-CG2 3.23Å; N884-T919 WeakPolarHBondContact OD1-CG2 3.31Å
920	I	85	Confident	84.2	Confident	24 Å²	24	39.4 Å²	39.4	12%	0.123	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-64.7	136.8	166.1	-71.1	147.5	0	0	0	108.6	I460 P462 L916 Q924 R925	I460-I920 HydrophobicContact CG2-CD1 3.8Å; I460-I920 HydrophobicContact CG2-CG1 4.28Å; I460-I920 HydrophobicContact CG2-CG2 4.45Å; P462-I920 HydrophobicContact CB-CD1 4Å; L916-I920 HydrophobicContact CD1-CD1 3.7Å; L916-I920 HydrophobicContact CD1-CG1 4.32Å; I920-Q924 HydrophobicContact CG2-CB 3.95Å; I920-R925 HydrophobicContact CG2-CG 3.78Å; I920-R925 PolarHBondContact O-NE 3.39Å; I920-R925 VanDerWaalsContact O-NE 3.09Å; I920-R925 PolarHBondContact O-NH2 3.04Å
921	P	84.4	Confident	84.3	Confident	8 Å²	8	39.8 Å²	39.8	5%	0.052	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-55.9	163.9	177.6	-29.4	38	0	0	0	114.1	R690 I923 R925 D950	R690-P921 HydrophobicContact CB-CB 4.18Å; R690-P921 HydrophobicContact CB-CG 4.45Å; P921-I923 HydrophobicContact CB-CG2 4.05Å; P921-R925 PolarHBondContact O-NE 3.25Å; P921-R925 PolarHBondContact O-NH2 3.46Å; P921-D950 HydrophobicContact CG-CB 4.1Å
922	E	83.6	Confident	84.5	Confident	80 Å²	80	38.6 Å²	38.6	37%	0.374	20%	0.204	S	C	.	.	S	Bend	trans	-70.2	-34.4	174.9	-68.5	-167.2	148	0	0	112.7	R690 S691 L692 Q924 R925 T926	R690-E922 PolarHBondContact O-N 3.47Å; R690-E922 VanDerWaalsContact O-N 3.1Å; S691-E922 WeakPolarHBondContact CA-OE2 3.24Å; S691-E922 WeakPolarHBondContact CB-OE2 3.37Å; L692-E922 HydrophobicContact CB-CB 4.35Å; L692-E922 PolarHBondContact N-OE2 3.42Å; E922-Q924 PolarHBondContact O-N 3.48Å; E922-Q924 VanDerWaalsContact O-N 3.15Å; E922-R925 PolarHBondContact O-N 3.07Å; E922-T926 PolarHBondContact O-N 2.91Å; E922-T926 VanDerWaalsContact O-N 3.16Å; E922-T926 PolarHBondContact O-OG1 3.41Å; E922-T926 VanDerWaalsContact O-OG1 3.09Å
923	I	85.3	Confident	84.6	Confident	1 Å²	1	33 Å²	33	1%	0.005	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.5	-177.5	-163.1	173	0	0	0	113.6	L692 D695 P921 R925 L928 F948 P952	L692-I923 HydrophobicContact CD1-CB 4.05Å; L692-I923 HydrophobicContact CD1-CG1 3.91Å; D695-I923 HydrophobicContact CB-CD1 4.42Å; P921-I923 HydrophobicContact CB-CG2 4.05Å; I923-R925 VanDerWaalsContact C-N 3.34Å; I923-L928 HydrophobicContact CG1-CD2 3.76Å; I923-F948 HydrophobicContact CD1-CD1 3.56Å; I923-F948 HydrophobicContact CD1-CE1 3.55Å; I923-F948 HydrophobicContact CD1-CG 4.5Å; I923-F948 HydrophobicContact CD1-CZ 4.47Å; I923-P952 HydrophobicContact CD1-CG 4.47Å; I923-P952 HydrophobicContact CG1-CB 4.29Å; I923-P952 HydrophobicContact CG1-CG 4.41Å
924	Q	85.9	Confident	84.6	Confident	26 Å²	26	29.5 Å²	29.5	12%	0.121	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-6.5	176.6	-64.2	-172.9	-34.1	0	0	113.5	I460 I920 E922 P951	I460-Q924 HydrophobicContact CD1-CB 4.42Å; I460-Q924 HydrophobicContact CD1-CG 4.41Å; I920-Q924 HydrophobicContact CG2-CB 3.95Å; E922-Q924 PolarHBondContact O-N 3.48Å; E922-Q924 VanDerWaalsContact O-N 3.15Å; Q924-P951 PolarHBondContact NE2-O 2.98Å
925	R	84.9	Confident	84.7	Confident	24 Å²	24	27.7 Å²	27.7	9%	0.091	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	0.4	-167	-62.7	-177.8	-67.2	128.9	-0.8	115	V865 F866 I920 P921 E922 I923	V865-R925 WeakPolarHBondContact CA-O 3.46Å; F866-R925 WeakPolarHBondContact CB-O 3.43Å; F866-R925 PolarHBondContact N-O 3.39Å; I920-R925 HydrophobicContact CG2-CG 3.78Å; I920-R925 PolarHBondContact O-NE 3.39Å; I920-R925 VanDerWaalsContact O-NE 3.09Å; I920-R925 PolarHBondContact O-NH2 3.04Å; P921-R925 PolarHBondContact O-NE 3.25Å; P921-R925 PolarHBondContact O-NH2 3.46Å; E922-R925 PolarHBondContact O-N 3.07Å; I923-R925 VanDerWaalsContact C-N 3.34Å
926	T	83.8	Confident	84.7	Confident	18 Å²	18	29.2 Å²	29.2	11%	0.11	16%	0.159	C	C	.	.	S	Bend	trans	-127.9	159.6	-178.8	59.6	0	0	0	0	112	E922 L928 N956	E922-T926 PolarHBondContact O-N 2.91Å; E922-T926 VanDerWaalsContact O-N 3.16Å; E922-T926 PolarHBondContact O-OG1 3.41Å; E922-T926 VanDerWaalsContact O-OG1 3.09Å; T926-L928 PolarHBondContact O-N 2.82Å; T926-N956 PolarHBondContact O-ND2 2.86Å
927	N	82.8	Confident	84.6	Confident	47 Å²	47	29 Å²	29	25%	0.251	16%	0.161	S	C	.	.			trans	-63.5	131.1	175.3	-174.1	-11	0	0	0	110.7	F866 A929 S960 Q963	F866-N927 HydrophobicContact CD1-CB 4.32Å; F866-N927 HydrophobicContact CD2-CB 3.91Å; F866-N927 HydrophobicContact CE1-CB 4.19Å; F866-N927 HydrophobicContact CE2-CB 3.76Å; F866-N927 HydrophobicContact CG-CB 4.18Å; F866-N927 HydrophobicContact CZ-CB 3.9Å; N927-A929 WeakPolarHBondContact OD1-CB 3.36Å; N927-A929 PolarHBondContact OD1-N 2.87Å; N927-S960 PolarHBondContact OD1-OG 2.85Å; N927-Q963 PolarHBondContact ND2-OE1 3.35Å
928	L	84.6	Confident	84.2	Confident	3 Å²	3	26.9 Å²	26.9	2%	0.016	15%	0.146	C	C	.	.			trans	-98.6	2	-174.8	-57.1	174.1	0	0	0	114	L692 I923 T926 N930 V931 V932 P952 N956 M957 S960	L692-L928 HydrophobicContact CD1-CD2 3.59Å; I923-L928 HydrophobicContact CG1-CD2 3.76Å; T926-L928 PolarHBondContact O-N 2.82Å; L928-N930 VanDerWaalsContact C-N 3.26Å; L928-N930 PolarHBondContact O-N 3.4Å; L928-N930 VanDerWaalsContact O-N 3.1Å; L928-V931 CarbonylContact O-C 3.52Å; L928-V931 WeakPolarHBondContact O-CA 3.49Å; L928-V931 PolarHBondContact O-N 3.23Å; L928-V932 HydrophobicContact CB-CG2 4.13Å; L928-V932 WeakPolarHBondContact O-CG2 3.43Å; L928-V932 PolarHBondContact O-N 2.91Å; L928-P952 HydrophobicContact CD1-CB 3.43Å; L928-P952 VanDerWaalsContact CD1-CB 3.43Å; L928-P952 HydrophobicContact CD1-CG 3.81Å; L928-N956 HydrophobicContact CD1-CB 4.41Å; L928-M957 HydrophobicContact CD1-CG 4.22Å; L928-S960 WeakPolarHBondContact CA-OG 3.35Å; L928-S960 WeakPolarHBondContact CB-OG 3.34Å; L928-S960 PolarHBondContact N-OG 2.99Å
929	A	85.9	Confident	83.7	Confident	7 Å²	7	27 Å²	27	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-49.6	-41.7	-175.4	0	0	0	0	0	114	N927 L933 S960 L964 P990	N927-A929 WeakPolarHBondContact OD1-CB 3.36Å; N927-A929 PolarHBondContact OD1-N 2.87Å; A929-L933 WeakPolarHBondContact O-CB 3.49Å; A929-L933 PolarHBondContact O-N 2.96Å; A929-S960 PolarHBondContact N-OG 3.03Å; A929-L964 WeakPolarHBondContact O-CD1 3.09Å; A929-P990 HydrophobicContact CB-CG 4.43Å
930	N	85.6	Confident	83.4	Confident	64 Å²	64	25.9 Å²	25.9	34%	0.342	15%	0.15	S	C	.	.	H	α-helix	trans	-68.9	-41.6	176.6	-158.8	-17	0	0	0	112.1	L928 L933 L934 L988	L928-N930 VanDerWaalsContact C-N 3.26Å; L928-N930 PolarHBondContact O-N 3.4Å; L928-N930 VanDerWaalsContact O-N 3.1Å; N930-L933 WeakPolarHBondContact O-CB 3.34Å; N930-L933 PolarHBondContact O-N 3.26Å; N930-L934 WeakPolarHBondContact O-CB 3.38Å; N930-L934 PolarHBondContact O-N 3.47Å; N930-L988 PolarHBondContact ND2-O 3.15Å
931	V	84.4	Confident	82.6	Confident	10 Å²	10	29.5 Å²	29.5	6%	0.061	17%	0.166	C	C	.	.	H	α-helix	trans	-68.9	-37.9	178.3	168.6	0	0	0	0	112.7	L692 V696 L928 L933 L934 L935	L692-V931 HydrophobicContact CD1-CG2 3.95Å; L692-V931 HydrophobicContact CD2-CG2 4.01Å; L692-V931 HydrophobicContact CG-CG2 3.87Å; V696-V931 HydrophobicContact CG2-CB 4.38Å; V696-V931 HydrophobicContact CG2-CG1 3.44Å; V696-V931 VanDerWaalsContact CG2-CG1 3.44Å; V696-V931 HydrophobicContact CG2-CG2 3.99Å; L928-V931 CarbonylContact O-C 3.52Å; L928-V931 WeakPolarHBondContact O-CA 3.49Å; L928-V931 PolarHBondContact O-N 3.23Å; V931-L933 VanDerWaalsContact C-N 3.35Å; V931-L934 WeakPolarHBondContact O-CB 3.42Å; V931-L934 PolarHBondContact O-N 3.05Å; V931-L935 HydrophobicContact CG1-CD1 3.8Å; V931-L935 HydrophobicContact CG1-CG 4.32Å; V931-L935 WeakPolarHBondContact O-CB 3.4Å; V931-L935 WeakPolarHBondContact O-CG 3.4Å; V931-L935 PolarHBondContact O-N 2.91Å
932	V	87.3	Confident	81.9	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.024	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-42.6	174.9	170.7	0	0	0	0	110.4	L928 K936 L943 M961 L964	L928-V932 HydrophobicContact CB-CG2 4.13Å; L928-V932 WeakPolarHBondContact O-CG2 3.43Å; L928-V932 PolarHBondContact O-N 2.91Å; V932-K936 WeakPolarHBondContact O-CB 3.46Å; V932-K936 VanDerWaalsContact O-CG 3.23Å; V932-K936 WeakPolarHBondContact O-CG 3.31Å; V932-K936 PolarHBondContact O-N 3.45Å; V932-K936 VanDerWaalsContact O-N 3.09Å; V932-L943 HydrophobicContact CB-CD1 4.23Å; V932-L943 HydrophobicContact CG1-CD1 3.76Å; V932-L943 HydrophobicContact CG2-CD1 4.09Å; V932-M961 HydrophobicContact CG1-CG 3.86Å; V932-L964 HydrophobicContact CB-CD1 3.88Å; V932-L964 HydrophobicContact CG1-CD1 3.54Å
933	L	87.6	Confident	81.4	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-45.5	175.2	-177.9	61.9	0	0	0	111.3	A929 N930 V931 S937 L964 A969 L976 M983 V984 P990	A929-L933 WeakPolarHBondContact O-CB 3.49Å; A929-L933 PolarHBondContact O-N 2.96Å; N930-L933 WeakPolarHBondContact O-CB 3.34Å; N930-L933 PolarHBondContact O-N 3.26Å; V931-L933 VanDerWaalsContact C-N 3.35Å; L933-S937 PolarHBondContact O-N 3.01Å; L933-L964 HydrophobicContact CB-CD1 3.85Å; L933-L964 HydrophobicContact CB-CD2 3.96Å; L933-L964 HydrophobicContact CD1-CD2 4.34Å; L933-L964 HydrophobicContact CD2-CD2 4.27Å; L933-L964 HydrophobicContact CG-CD2 4.42Å; L933-A969 HydrophobicContact CD1-CB 4.09Å; L933-L976 HydrophobicContact CD1-CD1 3.51Å; L933-M983 HydrophobicContact CD2-CB 4.07Å; L933-M983 HydrophobicContact CD2-CE 4.31Å; L933-V984 HydrophobicContact CD1-CG2 3.97Å; L933-V984 HydrophobicContact CD2-CG2 4.26Å; L933-V984 HydrophobicContact CG-CG2 3.7Å; L933-P990 HydrophobicContact CD2-CG 4.07Å
934	L	83.3	Confident	80.8	Confident	19 Å²	19	35.3 Å²	35.3	10%	0.099	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-54.3	176.8	-168.2	95.4	0	0	0	112.4	L667 L671 V696 N930 V931 K936 S937 L938	L667-L934 HydrophobicContact CD1-CD2 3.79Å; L667-L934 HydrophobicContact CD2-CD2 3.8Å; L667-L934 HydrophobicContact CG-CD2 3.73Å; L671-L934 HydrophobicContact CD1-CD1 3.65Å; L671-L934 HydrophobicContact CD2-CD1 3.59Å; L671-L934 HydrophobicContact CD2-CG 3.93Å; L671-L934 HydrophobicContact CG-CD1 3.92Å; V696-L934 HydrophobicContact CG1-CD2 3.95Å; N930-L934 WeakPolarHBondContact O-CB 3.38Å; N930-L934 PolarHBondContact O-N 3.47Å; V931-L934 WeakPolarHBondContact O-CB 3.42Å; V931-L934 PolarHBondContact O-N 3.05Å; L934-K936 VanDerWaalsContact C-N 3.33Å; L934-K936 PolarHBondContact O-N 2.6Å; L934-S937 WeakPolarHBondContact O-CB 3.31Å; L934-S937 PolarHBondContact O-N 2.89Å; L934-S937 PolarHBondContact O-OG 3.38Å; L934-L938 PolarHBondContact O-N 3.03Å; L934-L938 VanDerWaalsContact O-N 3.08Å
935	L	83.5	Confident	80	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-38.2	-178.8	-71.7	168.9	0	0	0	112.3	V696 V931 S937 L938 G939 V940 L943 F946 F948	V696-L935 HydrophobicContact CG1-CD2 4.13Å; V931-L935 HydrophobicContact CG1-CD1 3.8Å; V931-L935 HydrophobicContact CG1-CG 4.32Å; V931-L935 WeakPolarHBondContact O-CB 3.4Å; V931-L935 WeakPolarHBondContact O-CG 3.4Å; V931-L935 PolarHBondContact O-N 2.91Å; L935-S937 VanDerWaalsContact C-N 3.3Å; L935-S937 PolarHBondContact O-N 2.95Å; L935-L938 PolarHBondContact O-N 3.16Å; L935-G939 PolarHBondContact O-N 2.74Å; L935-V940 HydrophobicContact CD2-CG2 4.45Å; L935-V940 WeakPolarHBondContact O-CB 3.38Å; L935-V940 PolarHBondContact O-N 3.09Å; L935-V940 VanDerWaalsContact O-N 3.14Å; L935-L943 HydrophobicContact CB-CD2 3.65Å; L935-L943 HydrophobicContact CD1-CD2 4.27Å; L935-F946 HydrophobicContact CD2-CD1 4.42Å; L935-F946 HydrophobicContact CD2-CD2 4.49Å; L935-F946 HydrophobicContact CD2-CE1 3.99Å; L935-F946 HydrophobicContact CD2-CE2 4.09Å; L935-F946 HydrophobicContact CD2-CZ 3.8Å; L935-F948 HydrophobicContact CD1-CE1 4.19Å; L935-F948 HydrophobicContact CD1-CZ 3.76Å
936	K	84	Confident	79.7	Confident	34 Å²	34	40 Å²	40	15%	0.148	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-31.9	173.2	-72.8	-77.6	-176.2	171.8	0	112.4	V932 L934 G939 Q941 L943 L970 G974	V932-K936 WeakPolarHBondContact O-CB 3.46Å; V932-K936 VanDerWaalsContact O-CG 3.23Å; V932-K936 WeakPolarHBondContact O-CG 3.31Å; V932-K936 PolarHBondContact O-N 3.45Å; V932-K936 VanDerWaalsContact O-N 3.09Å; L934-K936 VanDerWaalsContact C-N 3.33Å; L934-K936 PolarHBondContact O-N 2.6Å; K936-G939 PolarHBondContact O-N 3.11Å; K936-Q941 PolarHBondContact NZ-O 3.45Å; K936-L943 HydrophobicContact CG-CD1 4.47Å; K936-L970 HydrophobicContact CG-CD2 4.27Å; K936-G974 WeakPolarHBondContact CE-O 3.34Å; K936-G974 PolarHBondContact NZ-O 3.1Å
937	S	83	Confident	79.4	Confident	42 Å²	42	43.4 Å²	43.4	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-72	-34.9	175.4	80.8	0	0	0	0	113.3	L671 L933 L934 L935 G939	L671-S937 WeakPolarHBondContact CD2-OG 3.16Å; L933-S937 PolarHBondContact O-N 3.01Å; L934-S937 WeakPolarHBondContact O-CB 3.31Å; L934-S937 PolarHBondContact O-N 2.89Å; L934-S937 PolarHBondContact O-OG 3.38Å; L935-S937 VanDerWaalsContact C-N 3.3Å; L935-S937 PolarHBondContact O-N 2.95Å; S937-G939 PolarHBondContact O-N 3.13Å
938	L	76.8	Confident	79.4	Confident	51 Å²	51	42.6 Å²	42.6	27%	0.267	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.9	172.3	-68.5	165.1	0	0	0	113.2	L671 L700 L934 L935	L671-L938 HydrophobicContact CD2-CD1 4.3Å; L671-L938 HydrophobicContact CD2-CD2 3.91Å; L671-L938 HydrophobicContact CD2-CG 3.87Å; L700-L938 HydrophobicContact CD1-CD1 4.15Å; L700-L938 HydrophobicContact CD2-CD1 3.76Å; L700-L938 HydrophobicContact CD2-CD2 4.47Å; L934-L938 PolarHBondContact O-N 3.03Å; L934-L938 VanDerWaalsContact O-N 3.08Å; L935-L938 PolarHBondContact O-N 3.16Å
939	G	73.2	Confident	79.2	Confident	51 Å²	51	43.8 Å²	43.8	53%	0.526	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	4.8	175.8	0	0	0	0	0	115.3	L935 K936 S937 Q941	L935-G939 PolarHBondContact O-N 2.74Å; K936-G939 PolarHBondContact O-N 3.11Å; S937-G939 PolarHBondContact O-N 3.13Å; G939-Q941 PolarHBondContact O-N 3.45Å
940	V	76.4	Confident	79	Confident	26 Å²	26	45.5 Å²	45.5	16%	0.158	25%	0.248	C	C	.	.			trans	-69.4	101.8	176.4	-171.2	0	0	0	0	109.1	L935 L943 F946	L935-V940 HydrophobicContact CD2-CG2 4.45Å; L935-V940 WeakPolarHBondContact O-CB 3.38Å; L935-V940 PolarHBondContact O-N 3.09Å; L935-V940 VanDerWaalsContact O-N 3.14Å; V940-L943 HydrophobicContact CB-CD2 4.01Å; V940-L943 HydrophobicContact CG1-CD2 3.81Å; V940-F946 HydrophobicContact CG1-CB 4.18Å; V940-F946 HydrophobicContact CG1-CD2 3.86Å; V940-F946 HydrophobicContact CG1-CG 4.36Å; V940-F946 HydrophobicContact CG2-CD2 4.05Å; V940-F946 HydrophobicContact CG2-CE2 4.17Å
941	Q	68.8	Low	78.8	Confident	99 Å²	99	46.2 Å²	46.2	46%	0.463	26%	0.256	S	S	.	.			trans	-70	-52.8	-177.1	-63.2	-175.5	13.4	0	0	111.1	K936 G939	K936-Q941 PolarHBondContact NZ-O 3.45Å; G939-Q941 PolarHBondContact O-N 3.45Å
942	D	69.4	Low	78.8	Confident	88 Å²	88	46.2 Å²	46.2	47%	0.471	26%	0.256	S	S	.	.			trans	-104	92	-174.1	-64.7	-36.7	0	0	0	111.1	L944 L945	D942-L944 PolarHBondContact O-N 2.84Å; D942-L945 HydrophobicContact CB-CB 4.3Å; D942-L945 HydrophobicContact CB-CD1 4Å; D942-L945 HydrophobicContact CB-CG 4.26Å; D942-L945 PolarHBondContact O-N 3.23Å
943	L	73.5	Confident	78.6	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.021	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-64.8	-22	-176.4	-57.2	-171.9	0	0	0	113.8	V932 L935 K936 V940 L945 F946 M957 M961	V932-L943 HydrophobicContact CB-CD1 4.23Å; V932-L943 HydrophobicContact CG1-CD1 3.76Å; V932-L943 HydrophobicContact CG2-CD1 4.09Å; L935-L943 HydrophobicContact CB-CD2 3.65Å; L935-L943 HydrophobicContact CD1-CD2 4.27Å; K936-L943 HydrophobicContact CG-CD1 4.47Å; V940-L943 HydrophobicContact CB-CD2 4.01Å; V940-L943 HydrophobicContact CG1-CD2 3.81Å; L943-L945 VanDerWaalsContact C-N 3.28Å; L943-F946 WeakPolarHBondContact O-CB 3.23Å; L943-F946 PolarHBondContact O-N 3.22Å; L943-M957 HydrophobicContact CB-CE 3.53Å; L943-M961 HydrophobicContact CB-CE 4.29Å; L943-M961 HydrophobicContact CD1-CE 3.81Å; L943-M961 HydrophobicContact CG-CE 4.16Å
944	L	71.6	Confident	78.2	Confident	119 Å²	119	48.9 Å²	48.9	62%	0.623	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-73.2	-19.7	175.6	-65.9	169.4	0	0	0	112.9	D942 E954 M957	D942-L944 PolarHBondContact O-N 2.84Å; L944-E954 HydrophobicContact CD2-CG 4.13Å; L944-M957 HydrophobicContact CD2-CE 3.78Å; L944-M957 HydrophobicContact CD2-SD 3.97Å; L944-M957 HydrophobicContact CG-CE 4.18Å
945	L	70.2	Confident	78.1	Confident	134 Å²	134	50.6 Å²	50.6	70%	0.702	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-96.6	-0.9	175.2	-65.3	175.9	0	0	0	112.5	D942 L943	D942-L945 HydrophobicContact CB-CB 4.3Å; D942-L945 HydrophobicContact CB-CD1 4Å; D942-L945 HydrophobicContact CB-CG 4.26Å; D942-L945 PolarHBondContact O-N 3.23Å; L943-L945 VanDerWaalsContact C-N 3.28Å
946	F	78	Confident	78	Confident	15 Å²	15	50.7 Å²	50.7	7%	0.066	28%	0.279	C	S	.	.	S	Bend	trans	-72.7	141.5	179.2	-173.2	-102.9	0	0	0	111.5	L935 V940 L943 F948	L935-F946 HydrophobicContact CD2-CD1 4.42Å; L935-F946 HydrophobicContact CD2-CD2 4.49Å; L935-F946 HydrophobicContact CD2-CE1 3.99Å; L935-F946 HydrophobicContact CD2-CE2 4.09Å; L935-F946 HydrophobicContact CD2-CZ 3.8Å; V940-F946 HydrophobicContact CG1-CB 4.18Å; V940-F946 HydrophobicContact CG1-CD2 3.86Å; V940-F946 HydrophobicContact CG1-CG 4.36Å; V940-F946 HydrophobicContact CG2-CD2 4.05Å; V940-F946 HydrophobicContact CG2-CE2 4.17Å; L943-F946 WeakPolarHBondContact O-CB 3.23Å; L943-F946 PolarHBondContact O-N 3.22Å; F946-F948 VanDerWaalsContact C-N 3.29Å; F946-F948 HydrophobicContact CB-CD2 4.42Å; F946-F948 HydrophobicContact CB-CE2 4.05Å; F946-F948 AromaticContact CD1-CD1 3.88Å; F946-F948 HydrophobicContact CD1-CD1 3.88Å; F946-F948 HydrophobicContact CD1-CD2 4.01Å; F946-F948 AromaticContact CD1-CE1 3.63Å; F946-F948 HydrophobicContact CD1-CE1 3.63Å; F946-F948 AromaticContact CD1-CE2 3.79Å; F946-F948 HydrophobicContact CD1-CE2 3.79Å; F946-F948 HydrophobicContact CD1-CG 4.07Å; F946-F948 AromaticContact CD1-CZ 3.6Å; F946-F948 HydrophobicContact CD1-CZ 3.6Å; F946-F948 HydrophobicContact CE1-CD1 4.16Å; F946-F948 AromaticContact CE1-CE1 3.94Å; F946-F948 HydrophobicContact CE1-CE1 3.94Å; F946-F948 HydrophobicContact CE1-CZ 4.3Å; F946-F948 HydrophobicContact CG-CE2 4.4Å; F946-F948 HydrophobicContact CG-CZ 4.44Å; F946-F948 PolarHBondContact O-N 2.93Å
947	H	76.9	Confident	78	Confident	90 Å²	90	49.6 Å²	49.6	42%	0.417	28%	0.275	S	S	.	.			trans	-77.8	72.5	-175.2	-65.1	98.4	0	0	0	112.2	F728	F728-H947 HydrophobicContact CE2-CB 4.41Å; F728-H947 VanDerWaalsContact CE2-O 3.26Å; F728-H947 WeakPolarHBondContact CE2-O 3.29Å; F728-H947 VanDerWaalsContact CZ-O 3.24Å; F728-H947 WeakPolarHBondContact CZ-O 3.43Å
948	F	82.5	Confident	78	Confident	29 Å²	29	50.9 Å²	50.9	13%	0.127	28%	0.278	C	S	.	.			trans	-73.2	148	163.8	-62.3	-69.5	0	0	0	111	I923 L935 F946 P951 P952	I923-F948 HydrophobicContact CD1-CD1 3.56Å; I923-F948 HydrophobicContact CD1-CE1 3.55Å; I923-F948 HydrophobicContact CD1-CG 4.5Å; I923-F948 HydrophobicContact CD1-CZ 4.47Å; L935-F948 HydrophobicContact CD1-CE1 4.19Å; L935-F948 HydrophobicContact CD1-CZ 3.76Å; F946-F948 VanDerWaalsContact C-N 3.29Å; F946-F948 HydrophobicContact CB-CD2 4.42Å; F946-F948 HydrophobicContact CB-CE2 4.05Å; F946-F948 AromaticContact CD1-CD1 3.88Å; F946-F948 HydrophobicContact CD1-CD1 3.88Å; F946-F948 HydrophobicContact CD1-CD2 4.01Å; F946-F948 AromaticContact CD1-CE1 3.63Å; F946-F948 HydrophobicContact CD1-CE1 3.63Å; F946-F948 AromaticContact CD1-CE2 3.79Å; F946-F948 HydrophobicContact CD1-CE2 3.79Å; F946-F948 HydrophobicContact CD1-CG 4.07Å; F946-F948 AromaticContact CD1-CZ 3.6Å; F946-F948 HydrophobicContact CD1-CZ 3.6Å; F946-F948 HydrophobicContact CE1-CD1 4.16Å; F946-F948 AromaticContact CE1-CE1 3.94Å; F946-F948 HydrophobicContact CE1-CE1 3.94Å; F946-F948 HydrophobicContact CE1-CZ 4.3Å; F946-F948 HydrophobicContact CG-CE2 4.4Å; F946-F948 HydrophobicContact CG-CZ 4.44Å; F946-F948 PolarHBondContact O-N 2.93Å; F948-P951 HydrophobicContact CB-CB 4.43Å; F948-P952 HydrophobicContact CE2-CG 4.32Å
949	M	80.4	Confident	78.3	Confident	28 Å²	28	49.3 Å²	49.3	14%	0.138	27%	0.27	C	S	.	.	S	Bend	trans	-75.4	-46.7	175.7	-174.2	-179.6	-62.9	0	0	111.7	R690 F698 F725 F728	R690-M949 PolarHBondContact NH1-SD 2.7Å; F698-M949 HydrophobicContact CD2-CE 3.85Å; F698-M949 HydrophobicContact CE2-CE 4.19Å; F698-M949 HydrophobicContact CG-CE 4.34Å; F725-M949 HydrophobicContact CD1-CE 3.56Å; F725-M949 HydrophobicContact CD1-SD 4.01Å; F725-M949 HydrophobicContact CE1-CE 3.85Å; F725-M949 HydrophobicContact CE1-SD 3.98Å; F725-M949 HydrophobicContact CG-CE 4.44Å; F728-M949 HydrophobicContact CB-CE 4Å; F728-M949 HydrophobicContact CB-CG 4.25Å; F728-M949 HydrophobicContact CD1-CE 3.72Å; F728-M949 HydrophobicContact CD2-CB 3.83Å; F728-M949 HydrophobicContact CD2-CE 4.48Å; F728-M949 HydrophobicContact CD2-CG 4.08Å; F728-M949 HydrophobicContact CE1-CE 4.36Å; F728-M949 HydrophobicContact CE2-CB 4.05Å; F728-M949 HydrophobicContact CG-CB 4.24Å; F728-M949 HydrophobicContact CG-CE 3.79Å; F728-M949 HydrophobicContact CG-CG 4.15Å
950	D	82.1	Confident	78.9	Confident	43 Å²	43	46.9 Å²	46.9	23%	0.23	25%	0.245	C	C	.	.	S	Bend	trans	-122.6	113.7	163.8	-61.1	-84.8	0	0	0	106.4	R690 P921	R690-D950 IonicContact CZ-OD2 2.74Å; R690-D950 IonicContact NH1-OD2 3.54Å; R690-D950 PolarHBondContact NH1-OD2 3.27Å; R690-D950 IonicContact NH2-OD2 2.78Å; R690-D950 PolarHBondContact NH2-OD2 2.91Å; P921-D950 HydrophobicContact CG-CB 4.1Å
951	P	82.6	Confident	79.3	Confident	79 Å²	79	46.8 Å²	46.8	51%	0.513	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-67.6	144.1	-175.2	26.3	-33.9	0	0	0	111.6	Q924 F948	Q924-P951 PolarHBondContact NE2-O 2.98Å; F948-P951 HydrophobicContact CB-CB 4.43Å
952	P	84.1	Confident	80.1	Confident	10 Å²	10	43 Å²	43	7%	0.065	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-69.2	153.6	172.1	26.5	-31.5	0	0	0	112.5	I923 L928 F948 M957	I923-P952 HydrophobicContact CD1-CG 4.47Å; I923-P952 HydrophobicContact CG1-CB 4.29Å; I923-P952 HydrophobicContact CG1-CG 4.41Å; L928-P952 HydrophobicContact CD1-CB 3.43Å; L928-P952 VanDerWaalsContact CD1-CB 3.43Å; L928-P952 HydrophobicContact CD1-CG 3.81Å; F948-P952 HydrophobicContact CE2-CG 4.32Å; P952-M957 HydrophobicContact CB-CG 4.35Å; P952-M957 HydrophobicContact CG-CG 3.86Å; P952-M957 HydrophobicContact CG-SD 3.79Å
953	P	83.3	Confident	80.8	Confident	13 Å²	13	40 Å²	40	8%	0.084	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-60.8	139.5	172.8	-22.7	33.6	0	0	0	112.4	I460 D955 N956 M957	I460-P953 HydrophobicContact CD1-CG 4.31Å; I460-P953 HydrophobicContact CG1-CG 4.35Å; P953-D955 PolarHBondContact O-N 3.37Å; P953-N956 WeakPolarHBondContact O-CB 3.35Å; P953-N956 PolarHBondContact O-N 3.32Å; P953-M957 PolarHBondContact O-N 3.16Å
954	E	78.9	Confident	81.5	Confident	50 Å²	50	39.8 Å²	39.8	23%	0.234	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-43.6	-177.5	-67.4	-175.9	173.6	0	0	112.4	T454 L944 N956 M957 L958	T454-E954 VanDerWaalsContact CB-OE1 3.32Å; T454-E954 WeakPolarHBondContact CB-OE1 3.42Å; T454-E954 WeakPolarHBondContact CG2-OE1 3.44Å; T454-E954 PolarHBondContact OG1-OE1 2.89Å; T454-E954 PolarHBondContact OG1-OE2 3.32Å; L944-E954 HydrophobicContact CD2-CG 4.13Å; E954-N956 PolarHBondContact O-N 3.41Å; E954-M957 CarbonylContact O-C 3.59Å; E954-M957 WeakPolarHBondContact O-CA 3.48Å; E954-M957 PolarHBondContact O-N 2.83Å; E954-L958 HydrophobicContact CB-CD1 4.26Å; E954-L958 WeakPolarHBondContact O-CB 3.34Å; E954-L958 VanDerWaalsContact O-CG 3.24Å; E954-L958 WeakPolarHBondContact O-CG 3.44Å; E954-L958 PolarHBondContact O-N 3.24Å
955	D	79.9	Confident	82.2	Confident	55 Å²	55	35 Å²	35	29%	0.294	18%	0.18	S	C	.	.	H	α-helix	trans	-45.8	-39	172.7	-96.8	26	0	0	0	112.8	P868 P953 N959	P868-D955 HydrophobicContact CB-CB 4.26Å; P868-D955 HydrophobicContact CG-CB 4.08Å; P953-D955 PolarHBondContact O-N 3.37Å; D955-N959 VanDerWaalsContact O-CB 3.22Å; D955-N959 WeakPolarHBondContact O-CB 3.44Å; D955-N959 PolarHBondContact O-N 2.81Å; D955-N959 VanDerWaalsContact O-N 3.09Å
956	N	83.3	Confident	82.9	Confident	5 Å²	5	29 Å²	29	3%	0.027	15%	0.149	C	C	.	.	H	α-helix	trans	-77.5	-41.2	-179.8	-167.3	13.8	0	0	0	111.7	F866 T926 L928 P953 E954 S960	F866-N956 WeakPolarHBondContact CD1-OD1 3.24Å; F866-N956 VanDerWaalsContact CE1-OD1 3.27Å; F866-N956 WeakPolarHBondContact CE1-OD1 3.41Å; T926-N956 PolarHBondContact O-ND2 2.86Å; L928-N956 HydrophobicContact CD1-CB 4.41Å; P953-N956 WeakPolarHBondContact O-CB 3.35Å; P953-N956 PolarHBondContact O-N 3.32Å; E954-N956 PolarHBondContact O-N 3.41Å; N956-S960 WeakPolarHBondContact O-CB 3.41Å; N956-S960 PolarHBondContact O-N 2.78Å; N956-S960 PolarHBondContact O-OG 3Å
957	M	83.6	Confident	83.3	Confident	10 Å²	10	28.7 Å²	28.7	5%	0.049	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-46.8	173.5	-68.7	178.9	62	0	0	112.1	L928 L943 L944 P952 P953 E954 S960 M961	L928-M957 HydrophobicContact CD1-CG 4.22Å; L943-M957 HydrophobicContact CB-CE 3.53Å; L944-M957 HydrophobicContact CD2-CE 3.78Å; L944-M957 HydrophobicContact CD2-SD 3.97Å; L944-M957 HydrophobicContact CG-CE 4.18Å; P952-M957 HydrophobicContact CB-CG 4.35Å; P952-M957 HydrophobicContact CG-CG 3.86Å; P952-M957 HydrophobicContact CG-SD 3.79Å; P953-M957 PolarHBondContact O-N 3.16Å; E954-M957 CarbonylContact O-C 3.59Å; E954-M957 WeakPolarHBondContact O-CA 3.48Å; E954-M957 PolarHBondContact O-N 2.83Å; M957-S960 WeakPolarHBondContact O-CB 3.44Å; M957-S960 PolarHBondContact O-N 2.65Å; M957-M961 WeakPolarHBondContact O-CG 3.42Å; M957-M961 PolarHBondContact O-N 3.35Å
958	L	82.4	Confident	83.7	Confident	70 Å²	70	25.9 Å²	25.9	37%	0.366	14%	0.143	S	C	.	.	H	α-helix	trans	-66.1	-44.2	-178.4	-62.6	168.8	0	0	0	110.8	L447 E954 S960 M961 Y962	L447-L958 HydrophobicContact CD2-CB 4.23Å; L447-L958 HydrophobicContact CD2-CD2 3.52Å; L447-L958 HydrophobicContact CD2-CG 4.46Å; E954-L958 HydrophobicContact CB-CD1 4.26Å; E954-L958 WeakPolarHBondContact O-CB 3.34Å; E954-L958 VanDerWaalsContact O-CG 3.24Å; E954-L958 WeakPolarHBondContact O-CG 3.44Å; E954-L958 PolarHBondContact O-N 3.24Å; L958-S960 VanDerWaalsContact C-N 3.33Å; L958-S960 PolarHBondContact O-N 2.66Å; L958-M961 PolarHBondContact O-N 3.2Å; L958-Y962 VanDerWaalsContact O-CB 3.31Å; L958-Y962 WeakPolarHBondContact O-CB 3.27Å; L958-Y962 PolarHBondContact O-N 2.99Å
959	N	83.3	Confident	84	Confident	18 Å²	18	24.5 Å²	24.5	10%	0.096	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-36.8	172.2	-175.2	16.5	0	0	0	112.1	P868 D955 Y962 Q963	P868-N959 PolarHBondContact O-ND2 3.12Å; D955-N959 VanDerWaalsContact O-CB 3.22Å; D955-N959 WeakPolarHBondContact O-CB 3.44Å; D955-N959 PolarHBondContact O-N 2.81Å; D955-N959 VanDerWaalsContact O-N 3.09Å; N959-Y962 WeakPolarHBondContact O-CB 3.49Å; N959-Y962 PolarHBondContact O-N 2.73Å; N959-Q963 VanDerWaalsContact CG-NE2 3.34Å; N959-Q963 PolarHBondContact ND2-NE2 2.74Å; N959-Q963 VanDerWaalsContact O-CG 3.31Å; N959-Q963 WeakPolarHBondContact O-CG 3.13Å; N959-Q963 PolarHBondContact O-N 2.82Å; N959-Q963 PolarHBondContact OD1-NE2 3.46Å
960	S	86.2	Confident	84.3	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.3	-42.1	175.6	-64.5	0	0	0	0	112.3	N927 L928 A929 N956 M957 L958 Q963 L964	N927-S960 PolarHBondContact OD1-OG 2.85Å; L928-S960 WeakPolarHBondContact CA-OG 3.35Å; L928-S960 WeakPolarHBondContact CB-OG 3.34Å; L928-S960 PolarHBondContact N-OG 2.99Å; A929-S960 PolarHBondContact N-OG 3.03Å; N956-S960 WeakPolarHBondContact O-CB 3.41Å; N956-S960 PolarHBondContact O-N 2.78Å; N956-S960 PolarHBondContact O-OG 3Å; M957-S960 WeakPolarHBondContact O-CB 3.44Å; M957-S960 PolarHBondContact O-N 2.65Å; L958-S960 VanDerWaalsContact C-N 3.33Å; L958-S960 PolarHBondContact O-N 2.66Å; S960-Q963 PolarHBondContact O-N 3.39Å; S960-L964 WeakPolarHBondContact O-CG 3.38Å; S960-L964 PolarHBondContact O-N 2.78Å; S960-L964 VanDerWaalsContact O-N 3.14Å
961	M	85.1	Confident	84.4	Confident	23 Å²	23	24 Å²	24	11%	0.113	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-42.6	170.8	-70.6	-173.3	-172	0	0	111.5	F446 V932 L943 M957 L958 L964 W965 L970	F446-M961 HydrophobicContact CE2-CB 4.06Å; F446-M961 HydrophobicContact CE2-SD 4.13Å; V932-M961 HydrophobicContact CG1-CG 3.86Å; L943-M961 HydrophobicContact CB-CE 4.29Å; L943-M961 HydrophobicContact CD1-CE 3.81Å; L943-M961 HydrophobicContact CG-CE 4.16Å; M957-M961 WeakPolarHBondContact O-CG 3.42Å; M957-M961 PolarHBondContact O-N 3.35Å; L958-M961 PolarHBondContact O-N 3.2Å; M961-L964 PolarHBondContact O-N 2.76Å; M961-W965 WeakPolarHBondContact O-CB 3.35Å; M961-W965 PolarHBondContact O-N 2.86Å; M961-L970 HydrophobicContact CB-CD1 4.27Å; M961-L970 HydrophobicContact CG-CD1 4.38Å
962	Y	84.5	Confident	84.2	Confident	19 Å²	19	21.3 Å²	21.3	8%	0.075	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-42.9	177.8	-174.9	-118.7	0	0	0	112.2	L442 P444 L447 L958 N959 L964 W965 I966 F1185	L442-Y962 VanDerWaalsContact O-CE2 3.32Å; L442-Y962 WeakPolarHBondContact O-CE2 3.31Å; L442-Y962 PolarHBondContact O-OH 3.28Å; P444-Y962 HydrophobicContact CG-CD2 4.12Å; L447-Y962 HydrophobicContact CD1-CD2 4Å; L447-Y962 HydrophobicContact CD1-CG 4.3Å; L958-Y962 VanDerWaalsContact O-CB 3.31Å; L958-Y962 WeakPolarHBondContact O-CB 3.27Å; L958-Y962 PolarHBondContact O-N 2.99Å; N959-Y962 WeakPolarHBondContact O-CB 3.49Å; N959-Y962 PolarHBondContact O-N 2.73Å; Y962-L964 VanDerWaalsContact C-N 3.34Å; Y962-L964 PolarHBondContact O-N 2.97Å; Y962-W965 AromaticContact CD2-CE3 3.97Å; Y962-W965 HydrophobicContact CD2-CE3 3.97Å; Y962-W965 HydrophobicContact CD2-CZ3 4.37Å; Y962-W965 AromaticContact CE2-CE3 3.91Å; Y962-W965 HydrophobicContact CE2-CE3 3.91Å; Y962-W965 AromaticContact CE2-CZ3 3.85Å; Y962-W965 HydrophobicContact CE2-CZ3 3.85Å; Y962-W965 PolarHBondContact O-N 3Å; Y962-I966 HydrophobicContact CD1-CD1 3.69Å; Y962-I966 HydrophobicContact CE1-CD1 3.48Å; Y962-I966 VanDerWaalsContact CE1-CD1 3.48Å; Y962-I966 HydrophobicContact CE1-CG1 4.42Å; Y962-I966 HydrophobicContact CE2-CD1 4.41Å; Y962-I966 HydrophobicContact CG-CD1 4.27Å; Y962-I966 WeakPolarHBondContact O-CB 3.36Å; Y962-I966 VanDerWaalsContact O-CG1 3.24Å; Y962-I966 WeakPolarHBondContact O-CG1 3.48Å; Y962-I966 PolarHBondContact O-N 2.91Å; Y962-F1185 AromaticContact CZ-CZ 3.99Å; Y962-F1185 VanDerWaalsContact OH-CE1 3.31Å; Y962-F1185 WeakPolarHBondContact OH-CE1 3.31Å; Y962-F1185 WeakPolarHBondContact OH-CZ 3.49Å
963	Q	85.2	Confident	83.9	Confident	25 Å²	25	22.5 Å²	22.5	12%	0.117	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-39	173.6	-74.4	170	39.7	0	0	112.5	N927 N959 S960 I966 L967	N927-Q963 PolarHBondContact ND2-OE1 3.35Å; N959-Q963 VanDerWaalsContact CG-NE2 3.34Å; N959-Q963 PolarHBondContact ND2-NE2 2.74Å; N959-Q963 VanDerWaalsContact O-CG 3.31Å; N959-Q963 WeakPolarHBondContact O-CG 3.13Å; N959-Q963 PolarHBondContact O-N 2.82Å; N959-Q963 PolarHBondContact OD1-NE2 3.46Å; S960-Q963 PolarHBondContact O-N 3.39Å; Q963-I966 WeakPolarHBondContact O-CB 3.27Å; Q963-L967 VanDerWaalsContact O-CG 3.27Å; Q963-L967 WeakPolarHBondContact O-CG 3.32Å; Q963-L967 PolarHBondContact O-N 3.17Å
964	L	87.9	Confident	83.6	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-72.7	-34.5	176.3	-67.5	174.6	0	0	0	113.2	A929 V932 L933 S960 M961 Y962 L967 G968 A969 L970 P990	A929-L964 WeakPolarHBondContact O-CD1 3.09Å; V932-L964 HydrophobicContact CB-CD1 3.88Å; V932-L964 HydrophobicContact CG1-CD1 3.54Å; L933-L964 HydrophobicContact CB-CD1 3.85Å; L933-L964 HydrophobicContact CB-CD2 3.96Å; L933-L964 HydrophobicContact CD1-CD2 4.34Å; L933-L964 HydrophobicContact CD2-CD2 4.27Å; L933-L964 HydrophobicContact CG-CD2 4.42Å; S960-L964 WeakPolarHBondContact O-CG 3.38Å; S960-L964 PolarHBondContact O-N 2.78Å; S960-L964 VanDerWaalsContact O-N 3.14Å; M961-L964 PolarHBondContact O-N 2.76Å; Y962-L964 VanDerWaalsContact C-N 3.34Å; Y962-L964 PolarHBondContact O-N 2.97Å; L964-L967 PolarHBondContact O-N 2.72Å; L964-G968 PolarHBondContact O-N 3.07Å; L964-G968 VanDerWaalsContact O-N 3.16Å; L964-A969 HydrophobicContact CB-CB 4.28Å; L964-A969 HydrophobicContact CD2-CB 4.22Å; L964-A969 WeakPolarHBondContact O-CB 3.15Å; L964-A969 PolarHBondContact O-N 2.59Å; L964-L970 HydrophobicContact CB-CB 4.45Å; L964-L970 HydrophobicContact CB-CD1 3.82Å; L964-L970 HydrophobicContact CB-CG 3.81Å; L964-L970 HydrophobicContact CD1-CD1 4.04Å; L964-L970 HydrophobicContact CD1-CG 4.33Å; L964-L970 PolarHBondContact O-N 3.07Å; L964-P990 HydrophobicContact CD2-CB 3.87Å; L964-P990 HydrophobicContact CD2-CG 3.84Å
965	W	86.6	Confident	83.8	Confident	18 Å²	18	21.8 Å²	21.8	7%	0.068	13%	0.127	C	C	.	.	H	α-helix	trans	-66.3	-45.5	172.3	176.6	77.8	0	0	0	111.3	L442 P444 F446 M961 Y962 L967 G968 L970 N972 M1184 F1185	L442-W965 HydrophobicContact CB-CH2 4.5Å; P444-W965 HydrophobicContact CB-CD2 3.86Å; P444-W965 HydrophobicContact CB-CE3 4.19Å; P444-W965 HydrophobicContact CB-CG 4.39Å; P444-W965 HydrophobicContact CB-CH2 4.15Å; P444-W965 HydrophobicContact CB-CZ2 3.83Å; P444-W965 HydrophobicContact CB-CZ3 4.33Å; P444-W965 HydrophobicContact CG-CD2 3.83Å; P444-W965 HydrophobicContact CG-CE3 3.87Å; P444-W965 HydrophobicContact CG-CG 4.26Å; P444-W965 HydrophobicContact CG-CZ3 4.24Å; F446-W965 HydrophobicContact CE1-CB 4.31Å; F446-W965 AromaticContact CE1-CD1 3.87Å; F446-W965 HydrophobicContact CE1-CG 4.04Å; F446-W965 HydrophobicContact CZ-CB 4.15Å; F446-W965 HydrophobicContact CZ-CG 4.37Å; M961-W965 WeakPolarHBondContact O-CB 3.35Å; M961-W965 PolarHBondContact O-N 2.86Å; Y962-W965 AromaticContact CD2-CE3 3.97Å; Y962-W965 HydrophobicContact CD2-CE3 3.97Å; Y962-W965 HydrophobicContact CD2-CZ3 4.37Å; Y962-W965 AromaticContact CE2-CE3 3.91Å; Y962-W965 HydrophobicContact CE2-CE3 3.91Å; Y962-W965 AromaticContact CE2-CZ3 3.85Å; Y962-W965 HydrophobicContact CE2-CZ3 3.85Å; Y962-W965 PolarHBondContact O-N 3Å; W965-L967 VanDerWaalsContact C-N 3.28Å; W965-L967 PolarHBondContact O-N 3.06Å; W965-G968 WeakPolarHBondContact O-CA 3.35Å; W965-G968 PolarHBondContact O-N 2.72Å; W965-L970 HydrophobicContact CB-CB 4.44Å; W965-N972 PolarHBondContact NE1-OD1 2.81Å; W965-M1184 HydrophobicContact CH2-CE 3.54Å; W965-M1184 HydrophobicContact CZ2-CE 3.59Å; W965-F1185 HydrophobicContact CZ3-CZ 4.5Å
966	I	84.3	Confident	84.1	Confident	10 Å²	10	20.5 Å²	20.5	5%	0.051	12%	0.121	C	C	.	.	H	α-helix	trans	-50.3	-48.5	168.6	-77.8	171.6	0	0	0	110.9	Y962 Q963 G968 F1115 H1116 F1185	Y962-I966 HydrophobicContact CD1-CD1 3.69Å; Y962-I966 HydrophobicContact CE1-CD1 3.48Å; Y962-I966 VanDerWaalsContact CE1-CD1 3.48Å; Y962-I966 HydrophobicContact CE1-CG1 4.42Å; Y962-I966 HydrophobicContact CE2-CD1 4.41Å; Y962-I966 HydrophobicContact CG-CD1 4.27Å; Y962-I966 WeakPolarHBondContact O-CB 3.36Å; Y962-I966 VanDerWaalsContact O-CG1 3.24Å; Y962-I966 WeakPolarHBondContact O-CG1 3.48Å; Y962-I966 PolarHBondContact O-N 2.91Å; Q963-I966 WeakPolarHBondContact O-CB 3.27Å; I966-G968 PolarHBondContact O-N 3.14Å; I966-F1115 HydrophobicContact CB-CZ 4.47Å; I966-F1115 HydrophobicContact CG2-CD2 4.3Å; I966-F1115 HydrophobicContact CG2-CE1 4.33Å; I966-F1115 HydrophobicContact CG2-CE2 3.63Å; I966-F1115 HydrophobicContact CG2-CZ 3.66Å; I966-F1115 WeakPolarHBondContact O-CE1 3.48Å; I966-F1115 WeakPolarHBondContact O-CZ 3.46Å; I966-H1116 HydrophobicContact CG2-CB 4.09Å; I966-F1185 HydrophobicContact CD1-CE1 4.4Å; I966-F1185 HydrophobicContact CD1-CE2 4.32Å; I966-F1185 HydrophobicContact CD1-CZ 3.74Å; I966-F1185 HydrophobicContact CG1-CE2 3.76Å; I966-F1185 HydrophobicContact CG1-CZ 3.59Å
967	L	85.6	Confident	84.4	Confident	7 Å²	7	21.5 Å²	21.5	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-68.9	-14.3	179.7	-70.7	168.3	0	0	0	113.1	Q963 L964 W965 A969 M983 P990 K994 A1113	Q963-L967 VanDerWaalsContact O-CG 3.27Å; Q963-L967 WeakPolarHBondContact O-CG 3.32Å; Q963-L967 PolarHBondContact O-N 3.17Å; L964-L967 PolarHBondContact O-N 2.72Å; W965-L967 VanDerWaalsContact C-N 3.28Å; W965-L967 PolarHBondContact O-N 3.06Å; L967-A969 VanDerWaalsContact C-N 3.33Å; L967-M983 HydrophobicContact CB-CE 4.45Å; L967-M983 HydrophobicContact CD1-CE 4.46Å; L967-P990 HydrophobicContact CD1-CB 3.5Å; L967-P990 VanDerWaalsContact CD1-CB 3.5Å; L967-K994 HydrophobicContact CB-CD 4.21Å; L967-K994 HydrophobicContact CD2-CB 4.37Å; L967-K994 HydrophobicContact CD2-CD 3.69Å; L967-K994 VanDerWaalsContact O-CD 3.24Å; L967-K994 WeakPolarHBondContact O-CD 3.27Å; L967-K994 VanDerWaalsContact O-CE 3.25Å; L967-K994 WeakPolarHBondContact O-CE 3.46Å; L967-K994 PolarHBondContact O-NZ 2.83Å; L967-A1113 WeakPolarHBondContact CD2-O 3.3Å
968	G	85.9	Confident	84.5	Confident	31 Å²	31	25.8 Å²	25.8	32%	0.32	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	16.9	-174.1	0	0	0	0	0	113.3	L964 W965 I966 T977	L964-G968 PolarHBondContact O-N 3.07Å; L964-G968 VanDerWaalsContact O-N 3.16Å; W965-G968 WeakPolarHBondContact O-CA 3.35Å; W965-G968 PolarHBondContact O-N 2.72Å; I966-G968 PolarHBondContact O-N 3.14Å; G968-T977 WeakPolarHBondContact O-CG2 3.3Å; G968-T977 PolarHBondContact O-OG1 3.2Å
969	A	88.3	Confident	84.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-82.8	-29.8	174.6	0	0	0	0	0	112.1	L933 L964 L967 T977 M983	L933-A969 HydrophobicContact CD1-CB 4.09Å; L964-A969 HydrophobicContact CB-CB 4.28Å; L964-A969 HydrophobicContact CD2-CB 4.22Å; L964-A969 WeakPolarHBondContact O-CB 3.15Å; L964-A969 PolarHBondContact O-N 2.59Å; L967-A969 VanDerWaalsContact C-N 3.33Å; A969-T977 PolarHBondContact O-N 3.03Å; A969-T977 PolarHBondContact O-OG1 3.09Å; A969-M983 HydrophobicContact CB-CE 3.75Å; A969-M983 HydrophobicContact CB-SD 3.82Å
970	L	87.3	Confident	85	Confident	3 Å²	3	24 Å²	24	2%	0.016	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-111.2	142.5	170.1	-65	179.5	0	0	0	111	K936 M961 L964 W965 A975 L976	K936-L970 HydrophobicContact CG-CD2 4.27Å; M961-L970 HydrophobicContact CB-CD1 4.27Å; M961-L970 HydrophobicContact CG-CD1 4.38Å; L964-L970 HydrophobicContact CB-CB 4.45Å; L964-L970 HydrophobicContact CB-CD1 3.82Å; L964-L970 HydrophobicContact CB-CG 3.81Å; L964-L970 HydrophobicContact CD1-CD1 4.04Å; L964-L970 HydrophobicContact CD1-CG 4.33Å; L964-L970 PolarHBondContact O-N 3.07Å; W965-L970 HydrophobicContact CB-CB 4.44Å; L970-A975 WeakPolarHBondContact CA-O 3.48Å; L970-L976 HydrophobicContact CD2-CD1 4.46Å
971	D	83.8	Confident	85	Confident	58 Å²	58	31.5 Å²	31.5	31%	0.31	18%	0.176	S	C	.	.			trans	-77.3	169.2	173.1	173.5	50.5	0	0	0	112.2	T973 G974 A975 T977	D971-T973 PolarHBondContact O-N 2.94Å; D971-T973 WeakPolarHBondContact OD2-CB 3.42Å; D971-T973 WeakPolarHBondContact OD2-CG2 3.49Å; D971-T973 PolarHBondContact OD2-N 2.83Å; D971-T973 VanDerWaalsContact OD2-N 3.11Å; D971-T973 PolarHBondContact OD2-OG1 3.19Å; D971-G974 PolarHBondContact O-N 2.97Å; D971-A975 PolarHBondContact N-O 3.35Å; D971-T977 HydrophobicContact CB-CG2 4.18Å
972	N	79.5	Confident	85.1	Confident	22 Å²	22	33.1 Å²	33.1	12%	0.118	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-15	171.2	-68.3	-23.4	0	0	0	113.9	F446 W965 E1212	F446-N972 VanDerWaalsContact CD1-O 3.28Å; F446-N972 WeakPolarHBondContact CD1-O 3.35Å; W965-N972 PolarHBondContact NE1-OD1 2.81Å; N972-E1212 PolarHBondContact ND2-OE2 2.86Å
973	T	77.1	Confident	85.3	Confident	36 Å²	36	32.3 Å²	32.3	22%	0.221	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	1.2	173.7	62.7	0	0	0	0	115	D971 A975 A1216 L1220	D971-T973 PolarHBondContact O-N 2.94Å; D971-T973 WeakPolarHBondContact OD2-CB 3.42Å; D971-T973 WeakPolarHBondContact OD2-CG2 3.49Å; D971-T973 PolarHBondContact OD2-N 2.83Å; D971-T973 VanDerWaalsContact OD2-N 3.11Å; D971-T973 PolarHBondContact OD2-OG1 3.19Å; T973-A975 VanDerWaalsContact C-N 3.28Å; T973-A975 PolarHBondContact O-N 3.46Å; T973-A1216 HydrophobicContact CG2-CB 3.43Å; T973-A1216 VanDerWaalsContact CG2-CB 3.43Å; T973-L1220 HydrophobicContact CG2-CD1 3.76Å
974	G	77.6	Confident	85.4	Confident	5 Å²	5	32.2 Å²	32.2	5%	0.052	18%	0.183	C	C	.	.	S	Bend	trans	72.2	18.6	-174	0	0	0	0	0	114.3	K936 D971	K936-G974 WeakPolarHBondContact CE-O 3.34Å; K936-G974 PolarHBondContact NZ-O 3.1Å; D971-G974 PolarHBondContact O-N 2.97Å
975	A	82.6	Confident	85.1	Confident	42 Å²	42	35.3 Å²	35.3	35%	0.347	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-91.7	156.1	172.4	0	0	0	0	0	112.2	L970 D971 T973	L970-A975 WeakPolarHBondContact CA-O 3.48Å; D971-A975 PolarHBondContact N-O 3.35Å; T973-A975 VanDerWaalsContact C-N 3.28Å; T973-A975 PolarHBondContact O-N 3.46Å
976	L	86.5	Confident	85.1	Confident	29 Å²	29	34.8 Å²	34.8	15%	0.152	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-81.2	118.2	-175.1	-171.4	69.8	0	0	0	112.7	L933 L970 R981	L933-L976 HydrophobicContact CD1-CD1 3.51Å; L970-L976 HydrophobicContact CD2-CD1 4.46Å; L976-R981 HydrophobicContact CD2-CG 3.58Å; L976-R981 HydrophobicContact CG-CG 3.94Å
977	T	88.8	Confident	85	Confident	25 Å²	25	35.1 Å²	35.1	15%	0.153	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-72.6	167.6	180	71.5	0	0	0	0	112.2	G968 A969 D971 T979 G980 R981	G968-T977 WeakPolarHBondContact O-CG2 3.3Å; G968-T977 PolarHBondContact O-OG1 3.2Å; A969-T977 PolarHBondContact O-N 3.03Å; A969-T977 PolarHBondContact O-OG1 3.09Å; D971-T977 HydrophobicContact CB-CG2 4.18Å; T977-T979 VanDerWaalsContact C-N 3.31Å; T977-T979 PolarHBondContact O-N 3Å; T977-T979 PolarHBondContact OG1-N 2.77Å; T977-G980 PolarHBondContact O-N 3Å; T977-G980 PolarHBondContact OG1-N 2.86Å; T977-R981 PolarHBondContact O-N 3.13Å
978	P	86.8	Confident	84.9	Confident	100 Å²	100	34.9 Å²	34.9	65%	0.649	20%	0.198	S	C	*	.	H	α-helix	trans	-57.1	-43.3	171.3	-24.7	35.6	0	0	0	112.4	G980 R981 L982	P978-G980 VanDerWaalsContact C-N 3.34Å; P978-G980 PolarHBondContact O-N 2.79Å; P978-R981 PolarHBondContact O-N 3.27Å; P978-L982 PolarHBondContact O-N 2.72Å; P978-L982 VanDerWaalsContact O-N 3.13Å
979	T	87.4	Confident	84.9	Confident	51 Å²	51	37.5 Å²	37.5	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-59.2	-44.8	173.6	-43.4	0	0	0	0	111.1	T977 R981 L982 M983 I997	T977-T979 VanDerWaalsContact C-N 3.31Å; T977-T979 PolarHBondContact O-N 3Å; T977-T979 PolarHBondContact OG1-N 2.77Å; T979-R981 VanDerWaalsContact C-N 3.31Å; T979-R981 PolarHBondContact O-N 3.39Å; T979-L982 PolarHBondContact O-N 3.18Å; T979-M983 HydrophobicContact CG2-SD 4.08Å; T979-M983 VanDerWaalsContact O-CG 3.23Å; T979-M983 WeakPolarHBondContact O-CG 3.5Å; T979-M983 PolarHBondContact O-N 3.34Å; T979-I997 HydrophobicContact CG2-CD1 4.24Å; T979-I997 HydrophobicContact CG2-CG2 4.42Å
980	G	88.6	Confident	84.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-38.7	175.8	0	0	0	0	0	113.3	T977 P978 M983 V984	T977-G980 PolarHBondContact O-N 3Å; T977-G980 PolarHBondContact OG1-N 2.86Å; P978-G980 VanDerWaalsContact C-N 3.34Å; P978-G980 PolarHBondContact O-N 2.79Å; G980-M983 PolarHBondContact O-N 3.35Å; G980-V984 VanDerWaalsContact O-CG2 3.31Å; G980-V984 WeakPolarHBondContact O-CG2 3.36Å; G980-V984 PolarHBondContact O-N 2.9Å
981	R	86.6	Confident	84.9	Confident	157 Å²	157	38.1 Å²	38.1	59%	0.592	21%	0.209	S	C	*	.	H	α-helix	trans	-66.5	-44.4	174.6	-65.7	177.4	-155.3	175	10.1	112.3	L976 T977 P978 T979 M983 V984	L976-R981 HydrophobicContact CD2-CG 3.58Å; L976-R981 HydrophobicContact CG-CG 3.94Å; T977-R981 PolarHBondContact O-N 3.13Å; P978-R981 PolarHBondContact O-N 3.27Å; T979-R981 VanDerWaalsContact C-N 3.31Å; T979-R981 PolarHBondContact O-N 3.39Å; R981-M983 PolarHBondContact O-N 3.07Å; R981-V984 PolarHBondContact O-N 3.49Å
982	L	87.1	Confident	85.2	Confident	57 Å²	57	35.6 Å²	35.6	30%	0.298	20%	0.196	S	C	.	.	H	α-helix	trans	-61.4	-34.8	174.9	-67.2	172.8	0	0	0	111.5	P978 T979 F986 I997	P978-L982 PolarHBondContact O-N 2.72Å; P978-L982 VanDerWaalsContact O-N 3.13Å; T979-L982 PolarHBondContact O-N 3.18Å; L982-F986 WeakPolarHBondContact O-CD2 3.36Å; L982-F986 WeakPolarHBondContact O-CE2 3.5Å; L982-I997 HydrophobicContact CB-CD1 3.69Å; L982-I997 HydrophobicContact CB-CG1 4.35Å
983	M	88.9	Confident	85.7	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-68.3	-30.3	178.1	-70.7	168.3	53.5	0	0	114.1	L933 L967 A969 T979 G980 R981 F986 P990 S993 K994 I997	L933-M983 HydrophobicContact CD2-CB 4.07Å; L933-M983 HydrophobicContact CD2-CE 4.31Å; L967-M983 HydrophobicContact CB-CE 4.45Å; L967-M983 HydrophobicContact CD1-CE 4.46Å; A969-M983 HydrophobicContact CB-CE 3.75Å; A969-M983 HydrophobicContact CB-SD 3.82Å; T979-M983 HydrophobicContact CG2-SD 4.08Å; T979-M983 VanDerWaalsContact O-CG 3.23Å; T979-M983 WeakPolarHBondContact O-CG 3.5Å; T979-M983 PolarHBondContact O-N 3.34Å; G980-M983 PolarHBondContact O-N 3.35Å; R981-M983 PolarHBondContact O-N 3.07Å; M983-F986 PolarHBondContact O-N 3.13Å; M983-P990 HydrophobicContact CE-CB 3.64Å; M983-P990 VanDerWaalsContact CE-O 3.26Å; M983-P990 WeakPolarHBondContact CE-O 3.3Å; M983-S993 PolarHBondContact O-OG 2.98Å; M983-K994 HydrophobicContact SD-CB 4.4Å; M983-I997 HydrophobicContact CB-CD1 4.45Å; M983-I997 HydrophobicContact CG-CD1 3.46Å; M983-I997 VanDerWaalsContact CG-CD1 3.46Å
984	V	85.6	Confident	86.4	Confident	23 Å²	23	34.2 Å²	34.2	14%	0.139	19%	0.186	C	C	.	.	H	α-helix	trans	-66.8	-35.3	179.6	169	0	0	0	0	112.3	L671 L933 G980 R981 F986	L671-V984 HydrophobicContact CD1-CG1 3.8Å; L671-V984 HydrophobicContact CD2-CG1 4.4Å; L933-V984 HydrophobicContact CD1-CG2 3.97Å; L933-V984 HydrophobicContact CD2-CG2 4.26Å; L933-V984 HydrophobicContact CG-CG2 3.7Å; G980-V984 VanDerWaalsContact O-CG2 3.31Å; G980-V984 WeakPolarHBondContact O-CG2 3.36Å; G980-V984 PolarHBondContact O-N 2.9Å; R981-V984 PolarHBondContact O-N 3.49Å; V984-F986 PolarHBondContact O-N 2.9Å
985	E	82.9	Confident	87	Confident	66 Å²	66	34 Å²	34	31%	0.308	18%	0.183	S	C	.	.	H	α-helix	trans	-68.5	-22.6	-179.6	-71	-74.8	176.7	0	0	112.8
986	F	85.1	Confident	87.4	Confident	7 Å²	7	32 Å²	32	3%	0.031	17%	0.167	C	C	.	.	S	Bend	trans	-84	129.6	179.2	-72.1	-68.7	0	0	0	111.8	L982 M983 V984 L988 S993 L996 I997 L1085 I1088 M1089 M1094	L982-F986 WeakPolarHBondContact O-CD2 3.36Å; L982-F986 WeakPolarHBondContact O-CE2 3.5Å; M983-F986 PolarHBondContact O-N 3.13Å; V984-F986 PolarHBondContact O-N 2.9Å; F986-L988 HydrophobicContact CB-CB 4.44Å; F986-L988 HydrophobicContact CB-CD1 4.33Å; F986-L988 HydrophobicContact CB-CG 4.47Å; F986-L988 PolarHBondContact O-N 2.92Å; F986-S993 WeakPolarHBondContact CB-OG 3.31Å; F986-L996 HydrophobicContact CD1-CD1 3.78Å; F986-L996 HydrophobicContact CE1-CD1 3.97Å; F986-L996 HydrophobicContact CG-CD1 4.26Å; F986-I997 HydrophobicContact CE2-CG1 4.44Å; F986-L1085 HydrophobicContact CD1-CD2 4.07Å; F986-I1088 HydrophobicContact CD1-CG2 3.95Å; F986-I1088 HydrophobicContact CE1-CB 4.1Å; F986-I1088 HydrophobicContact CE1-CG2 3.51Å; F986-I1088 HydrophobicContact CZ-CG2 3.99Å; F986-M1089 HydrophobicContact CE1-CG 3.92Å; F986-M1089 HydrophobicContact CZ-CG 4Å; F986-M1094 HydrophobicContact CE2-CE 4.06Å; F986-M1094 HydrophobicContact CZ-CE 3.6Å
987	P	82.3	Confident	87.6	Confident	16 Å²	16	31.2 Å²	31.2	10%	0.104	16%	0.163	C	C	.	.	S	Bend	trans	-80.8	50.9	-178.8	36.7	-39.2	0	0	0	111.3	R647 L1085 I1088	R647-P987 PolarHBondContact NH2-O 2.85Å; P987-L1085 HydrophobicContact CG-CD2 4.06Å; P987-I1088 HydrophobicContact CG-CD1 4.31Å
988	L	84.8	Confident	87.6	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.016	16%	0.162	C	C	.	.	S	Bend	trans	-140.2	167.1	-166.8	-63.5	175.4	0	0	0	110.5	N930 F986 L992 L996 V1012 S1016 L1085	N930-L988 PolarHBondContact ND2-O 3.15Å; F986-L988 HydrophobicContact CB-CB 4.44Å; F986-L988 HydrophobicContact CB-CD1 4.33Å; F986-L988 HydrophobicContact CB-CG 4.47Å; F986-L988 PolarHBondContact O-N 2.92Å; L988-L992 HydrophobicContact CB-CB 4.15Å; L988-L992 HydrophobicContact CD1-CB 4.34Å; L988-L996 HydrophobicContact CD1-CD1 3.55Å; L988-L996 HydrophobicContact CD1-CG 4.46Å; L988-V1012 HydrophobicContact CD1-CG1 3.49Å; L988-V1012 VanDerWaalsContact CD1-CG1 3.49Å; L988-V1012 HydrophobicContact CD2-CG1 4.16Å; L988-V1012 HydrophobicContact CG-CG1 4.49Å; L988-S1016 WeakPolarHBondContact CD2-OG 2.81Å; L988-L1085 HydrophobicContact CD1-CD1 4.11Å; L988-L1085 HydrophobicContact CD1-CD2 3.76Å; L988-L1085 HydrophobicContact CD2-CD1 4.44Å; L988-L1085 HydrophobicContact CD2-CD2 4.46Å; L988-L1085 HydrophobicContact CG-CD2 4.07Å
989	D	84.6	Confident	87.7	Confident	85 Å²	85	26.3 Å²	26.3	46%	0.455	13%	0.131	S	C	.	.			trans	-75.7	146.4	174.7	-59.8	-69.6	0	0	0	111	A991 L992 S993	D989-A991 PolarHBondContact O-N 3.06Å; D989-L992 WeakPolarHBondContact O-CA 3.41Å; D989-L992 WeakPolarHBondContact O-CB 3.22Å; D989-L992 PolarHBondContact O-N 2.7Å; D989-S993 PolarHBondContact O-N 3.16Å
990	P	88.1	Confident	87.7	Confident	8 Å²	8	25.1 Å²	25.1	5%	0.052	12%	0.124	C	C	.	.	H	α-helix	trans	-50.3	-34.7	-170.8	-33.7	37.7	0	0	0	115.9	A929 L933 L964 L967 M983 K994	A929-P990 HydrophobicContact CB-CG 4.43Å; L933-P990 HydrophobicContact CD2-CG 4.07Å; L964-P990 HydrophobicContact CD2-CB 3.87Å; L964-P990 HydrophobicContact CD2-CG 3.84Å; L967-P990 HydrophobicContact CD1-CB 3.5Å; L967-P990 VanDerWaalsContact CD1-CB 3.5Å; M983-P990 HydrophobicContact CE-CB 3.64Å; M983-P990 VanDerWaalsContact CE-O 3.26Å; M983-P990 WeakPolarHBondContact CE-O 3.3Å; P990-K994 WeakPolarHBondContact O-CB 3.09Å; P990-K994 PolarHBondContact O-N 3.02Å
991	A	88.5	Confident	87.6	Confident	9 Å²	9	31.5 Å²	31.5	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-65	-47.3	174.2	0	0	0	0	0	112.2	D989 S993 K994 M995 A1113 Y1114	D989-A991 PolarHBondContact O-N 3.06Å; A991-S993 VanDerWaalsContact C-N 3.35Å; A991-S993 PolarHBondContact O-N 3.06Å; A991-K994 PolarHBondContact O-N 3.02Å; A991-M995 PolarHBondContact O-N 2.82Å; A991-A1113 WeakPolarHBondContact O-CB 3.41Å; A991-Y1114 HydrophobicContact CB-CD1 4.25Å; A991-Y1114 HydrophobicContact CB-CE1 3.68Å; A991-Y1114 HydrophobicContact CB-CE2 4.45Å
992	L	90.3	Very high	87.5	Confident	5 Å²	5	26.2 Å²	26.2	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-38.2	176.8	-67.4	174.5	0	0	0	111.9	L988 D989 M995 L996 V1012 L1015 Y1114	L988-L992 HydrophobicContact CB-CB 4.15Å; L988-L992 HydrophobicContact CD1-CB 4.34Å; D989-L992 WeakPolarHBondContact O-CA 3.41Å; D989-L992 WeakPolarHBondContact O-CB 3.22Å; D989-L992 PolarHBondContact O-N 2.7Å; L992-M995 HydrophobicContact CD2-CE 3.8Å; L992-M995 VanDerWaalsContact O-CB 3.29Å; L992-M995 WeakPolarHBondContact O-CB 3.34Å; L992-M995 PolarHBondContact O-N 2.76Å; L992-L996 PolarHBondContact O-N 3.21Å; L992-V1012 HydrophobicContact CB-CG1 4.49Å; L992-V1012 HydrophobicContact CD2-CG2 4.38Å; L992-L1015 HydrophobicContact CD2-CD1 3.82Å; L992-Y1114 HydrophobicContact CD2-CE2 4.16Å; L992-Y1114 VanDerWaalsContact CD2-OH 3.29Å; L992-Y1114 WeakPolarHBondContact CD2-OH 3.37Å; L992-Y1114 WeakPolarHBondContact CG-OH 3.48Å
993	S	90.4	Very high	87.4	Confident	1 Å²	1	24 Å²	24	1%	0.007	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-42.8	174.5	-58.1	0	0	0	0	111.9	M983 F986 D989 A991 M995 L996 I997	M983-S993 PolarHBondContact O-OG 2.98Å; F986-S993 WeakPolarHBondContact CB-OG 3.31Å; D989-S993 PolarHBondContact O-N 3.16Å; A991-S993 VanDerWaalsContact C-N 3.35Å; A991-S993 PolarHBondContact O-N 3.06Å; S993-M995 VanDerWaalsContact C-N 3.29Å; S993-M995 PolarHBondContact O-N 3.46Å; S993-L996 PolarHBondContact O-N 3.45Å; S993-I997 WeakPolarHBondContact O-CG1 3.46Å; S993-I997 PolarHBondContact O-N 3.45Å; S993-I997 VanDerWaalsContact O-N 3.16Å
994	K	90.1	Very high	87.3	Confident	27 Å²	27	23.9 Å²	23.9	12%	0.117	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-38.5	172.5	-176.7	171.2	-174.9	179.9	0	111.8	L967 M983 P990 A991 L996 I997 V998 A1112 A1113	L967-K994 HydrophobicContact CB-CD 4.21Å; L967-K994 HydrophobicContact CD2-CB 4.37Å; L967-K994 HydrophobicContact CD2-CD 3.69Å; L967-K994 VanDerWaalsContact O-CD 3.24Å; L967-K994 WeakPolarHBondContact O-CD 3.27Å; L967-K994 VanDerWaalsContact O-CE 3.25Å; L967-K994 WeakPolarHBondContact O-CE 3.46Å; L967-K994 PolarHBondContact O-NZ 2.83Å; M983-K994 HydrophobicContact SD-CB 4.4Å; P990-K994 WeakPolarHBondContact O-CB 3.09Å; P990-K994 PolarHBondContact O-N 3.02Å; A991-K994 PolarHBondContact O-N 3.02Å; K994-L996 PolarHBondContact O-N 3.01Å; K994-I997 PolarHBondContact O-N 3.24Å; K994-V998 HydrophobicContact CG-CG2 4.15Å; K994-V998 WeakPolarHBondContact O-CG2 3.27Å; K994-V998 PolarHBondContact O-N 2.75Å; K994-A1112 WeakPolarHBondContact CE-O 3.49Å; K994-A1112 PolarHBondContact NZ-O 3.28Å; K994-A1113 HydrophobicContact CB-CB 4.2Å; K994-A1113 HydrophobicContact CG-CB 4.22Å
995	M	90.9	Very high	87.4	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.7	-45.5	177	-151	164.2	73.2	0	0	111	A991 L992 S993 I997 S999 I1008 I1011 V1012 L1015 C1109 I1110 A1113 Y1114	A991-M995 PolarHBondContact O-N 2.82Å; L992-M995 HydrophobicContact CD2-CE 3.8Å; L992-M995 VanDerWaalsContact O-CB 3.29Å; L992-M995 WeakPolarHBondContact O-CB 3.34Å; L992-M995 PolarHBondContact O-N 2.76Å; S993-M995 VanDerWaalsContact C-N 3.29Å; S993-M995 PolarHBondContact O-N 3.46Å; M995-I997 PolarHBondContact O-N 2.57Å; M995-S999 WeakPolarHBondContact O-CB 3.46Å; M995-S999 PolarHBondContact O-N 2.75Å; M995-S999 VanDerWaalsContact O-N 3.16Å; M995-I1008 HydrophobicContact CB-CG2 4.47Å; M995-I1008 HydrophobicContact CE-CG2 4.39Å; M995-I1008 HydrophobicContact CG-CG2 3.92Å; M995-I1011 HydrophobicContact CE-CG2 4.2Å; M995-V1012 HydrophobicContact CE-CG2 3.36Å; M995-L1015 HydrophobicContact CE-CD1 4.18Å; M995-C1109 WeakPolarHBondContact CG-O 3.34Å; M995-C1109 PolarHBondContact O-SG 2.62Å; M995-I1110 VanDerWaalsContact SD-CA 3.58Å; M995-I1110 HydrophobicContact SD-CB 4.24Å; M995-I1110 HydrophobicContact SD-CG1 4.22Å; M995-I1110 HydrophobicContact SD-CG2 4.27Å; M995-A1113 HydrophobicContact CB-CB 3.56Å; M995-A1113 HydrophobicContact CG-CB 3.85Å; M995-A1113 HydrophobicContact SD-CB 4.5Å; M995-Y1114 HydrophobicContact CE-CE2 4.47Å; M995-Y1114 HydrophobicContact SD-CD2 3.89Å; M995-Y1114 HydrophobicContact SD-CE2 3.74Å
996	L	90.6	Very high	87.7	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-40.9	174.3	-71.1	178.1	0	0	0	113.1	F986 L988 L992 S993 K994 S999 I1008 L1009 V1012 L1085 M1089	F986-L996 HydrophobicContact CD1-CD1 3.78Å; F986-L996 HydrophobicContact CE1-CD1 3.97Å; F986-L996 HydrophobicContact CG-CD1 4.26Å; L988-L996 HydrophobicContact CD1-CD1 3.55Å; L988-L996 HydrophobicContact CD1-CG 4.46Å; L992-L996 PolarHBondContact O-N 3.21Å; S993-L996 PolarHBondContact O-N 3.45Å; K994-L996 PolarHBondContact O-N 3.01Å; L996-S999 WeakPolarHBondContact O-CB 3.36Å; L996-S999 PolarHBondContact O-N 3.19Å; L996-S999 PolarHBondContact O-OG 2.93Å; L996-I1008 HydrophobicContact CD2-CG2 4.44Å; L996-L1009 HydrophobicContact CD2-CB 4.3Å; L996-L1009 HydrophobicContact CD2-CD1 4.21Å; L996-V1012 HydrophobicContact CD1-CG1 4.3Å; L996-V1012 HydrophobicContact CD2-CB 4.17Å; L996-V1012 HydrophobicContact CD2-CG1 4.37Å; L996-V1012 HydrophobicContact CD2-CG2 3.81Å; L996-V1012 HydrophobicContact CG-CG1 4.33Å; L996-V1012 HydrophobicContact CG-CG2 4.01Å; L996-L1085 HydrophobicContact CD1-CD2 4.37Å; L996-M1089 HydrophobicContact CD2-SD 4.26Å
997	I	90.4	Very high	87.9	Confident	13 Å²	13	20.6 Å²	20.6	7%	0.067	12%	0.118	C	C	.	.	H	α-helix	trans	-68.4	-52	-176.5	-65.9	161.5	0	0	0	110.8	T979 L982 M983 F986 S993 K994 M995 S999 C1000	T979-I997 HydrophobicContact CG2-CD1 4.24Å; T979-I997 HydrophobicContact CG2-CG2 4.42Å; L982-I997 HydrophobicContact CB-CD1 3.69Å; L982-I997 HydrophobicContact CB-CG1 4.35Å; M983-I997 HydrophobicContact CB-CD1 4.45Å; M983-I997 HydrophobicContact CG-CD1 3.46Å; M983-I997 VanDerWaalsContact CG-CD1 3.46Å; F986-I997 HydrophobicContact CE2-CG1 4.44Å; S993-I997 WeakPolarHBondContact O-CG1 3.46Å; S993-I997 PolarHBondContact O-N 3.45Å; S993-I997 VanDerWaalsContact O-N 3.16Å; K994-I997 PolarHBondContact O-N 3.24Å; M995-I997 PolarHBondContact O-N 2.57Å; I997-S999 PolarHBondContact O-N 2.6Å; I997-S999 VanDerWaalsContact O-N 3.16Å; I997-C1000 WeakPolarHBondContact O-CB 3.49Å; I997-C1000 PolarHBondContact O-N 3.43Å
998	V	89.1	Confident	88.3	Confident	23 Å²	23	19.9 Å²	19.9	14%	0.139	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-23.6	179.7	-177.7	0	0	0	0	111.9	K994 C1000 D1001 M1002 A1112	K994-V998 HydrophobicContact CG-CG2 4.15Å; K994-V998 WeakPolarHBondContact O-CG2 3.27Å; K994-V998 PolarHBondContact O-N 2.75Å; V998-C1000 PolarHBondContact O-N 2.92Å; V998-D1001 PolarHBondContact O-N 3.35Å; V998-M1002 HydrophobicContact CG1-CE 3.66Å; V998-M1002 HydrophobicContact CG1-CG 4.02Å; V998-M1002 HydrophobicContact CG1-SD 3.68Å; V998-M1002 WeakPolarHBondContact O-CB 3.2Å; V998-M1002 PolarHBondContact O-N 3.18Å; V998-A1112 HydrophobicContact CB-CB 4.17Å; V998-A1112 HydrophobicContact CG1-CB 3.64Å; V998-A1112 HydrophobicContact CG2-CB 4.19Å
999	S	89.8	Confident	88.7	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-23.7	175.5	80.7	0	0	0	0	113.9	M995 L996 I997 G1003 C1004 S1005 C1109	M995-S999 WeakPolarHBondContact O-CB 3.46Å; M995-S999 PolarHBondContact O-N 2.75Å; M995-S999 VanDerWaalsContact O-N 3.16Å; L996-S999 WeakPolarHBondContact O-CB 3.36Å; L996-S999 PolarHBondContact O-N 3.19Å; L996-S999 PolarHBondContact O-OG 2.93Å; I997-S999 PolarHBondContact O-N 2.6Å; I997-S999 VanDerWaalsContact O-N 3.16Å; S999-G1003 CarbonylContact O-C 3.46Å; S999-G1003 PolarHBondContact O-N 2.97Å; S999-G1003 VanDerWaalsContact O-N 3.08Å; S999-C1004 PolarHBondContact O-N 2.76Å; S999-S1005 PolarHBondContact O-N 3.22Å; S999-S1005 WeakPolarHBondContact OG-CA 3.34Å; S999-S1005 WeakPolarHBondContact OG-CB 3.27Å; S999-C1109 WeakPolarHBondContact CA-SG 2.99Å; S999-C1109 WeakPolarHBondContact CB-SG 3.29Å; S999-C1109 PolarHBondContact N-SG 3.16Å
1000	C	86.6	Confident	89	Confident	25 Å²	25	15.8 Å²	15.8	17%	0.169	9%	0.091	C	C	.	.	H	α-helix	trans	-81.2	-38.8	174.8	-69.5	0	0	0	0	111.2	I997 V998 M1002 G1003	I997-C1000 WeakPolarHBondContact O-CB 3.49Å; I997-C1000 PolarHBondContact O-N 3.43Å; V998-C1000 PolarHBondContact O-N 2.92Å; C1000-M1002 VanDerWaalsContact C-N 3.32Å; C1000-M1002 PolarHBondContact O-N 3.21Å; C1000-G1003 PolarHBondContact O-N 3.11Å
1001	D	86.1	Confident	89.2	Confident	134 Å²	134	15.4 Å²	15.4	72%	0.717	9%	0.089	S	C	*	.	H	α-helix	trans	-64.3	-38.2	174.2	-56.2	-37	0	0	0	111.6	V998	V998-D1001 PolarHBondContact O-N 3.35Å
1002	M	84.7	Confident	89.3	Confident	47 Å²	47	15 Å²	15	23%	0.232	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1	177.8	-64.4	177.9	172.4	0	0	114.4	V998 C1000 C1004 I1105 K1108 C1109 A1112 L1181	V998-M1002 HydrophobicContact CG1-CE 3.66Å; V998-M1002 HydrophobicContact CG1-CG 4.02Å; V998-M1002 HydrophobicContact CG1-SD 3.68Å; V998-M1002 WeakPolarHBondContact O-CB 3.2Å; V998-M1002 PolarHBondContact O-N 3.18Å; C1000-M1002 VanDerWaalsContact C-N 3.32Å; C1000-M1002 PolarHBondContact O-N 3.21Å; M1002-C1004 VanDerWaalsContact C-N 3.28Å; M1002-C1004 PolarHBondContact O-N 3.42Å; M1002-C1004 VanDerWaalsContact O-N 3.17Å; M1002-I1105 HydrophobicContact CB-CG2 4.37Å; M1002-I1105 WeakPolarHBondContact O-CG2 3.19Å; M1002-K1108 HydrophobicContact CE-CB 3.91Å; M1002-K1108 HydrophobicContact CE-CD 4.37Å; M1002-K1108 HydrophobicContact SD-CB 3.55Å; M1002-K1108 VanDerWaalsContact SD-CB 3.55Å; M1002-K1108 HydrophobicContact SD-CD 4.16Å; M1002-K1108 HydrophobicContact SD-CG 4.41Å; M1002-C1109 HydrophobicContact SD-CB 4.05Å; M1002-A1112 HydrophobicContact CE-CB 4.26Å; M1002-L1181 HydrophobicContact CE-CD1 3.73Å
1003	G	84.9	Confident	89.3	Confident	10 Å²	10	14.8 Å²	14.8	10%	0.103	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-0.2	175.6	0	0	0	0	0	118	S999 C1000 M1097	S999-G1003 CarbonylContact O-C 3.46Å; S999-G1003 PolarHBondContact O-N 2.97Å; S999-G1003 VanDerWaalsContact O-N 3.08Å; C1000-G1003 PolarHBondContact O-N 3.11Å; G1003-M1097 CarbonylContact O-C 3.5Å; G1003-M1097 WeakPolarHBondContact O-CB 3.48Å; G1003-M1097 VanDerWaalsContact O-O 3.12Å
1004	C	87.6	Confident	89.3	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.			trans	-92.7	12.3	-177.9	56.4	0	0	0	0	115	S999 M1002 A1006 D1007 I1008 M1097 C1099 I1105 I1106 C1109	S999-C1004 PolarHBondContact O-N 2.76Å; M1002-C1004 VanDerWaalsContact C-N 3.28Å; M1002-C1004 PolarHBondContact O-N 3.42Å; M1002-C1004 VanDerWaalsContact O-N 3.17Å; C1004-A1006 PolarHBondContact O-N 2.94Å; C1004-A1006 VanDerWaalsContact O-N 3.17Å; C1004-D1007 PolarHBondContact O-N 3.5Å; C1004-D1007 VanDerWaalsContact O-N 3.14Å; C1004-I1008 HydrophobicContact CB-CG1 4.47Å; C1004-I1008 PolarHBondContact O-N 2.83Å; C1004-M1097 CarbonylContact C-O 3.59Å; C1004-C1099 HydrophobicContact CB-CB 4.17Å; C1004-I1105 HydrophobicContact CB-CG2 4.02Å; C1004-I1106 HydrophobicContact CB-CG1 4.16Å; C1004-C1109 WeakPolarHBondContact SG-CB 3.4Å
1005	S	87.3	Confident	89.2	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-48	-40	-172	60	0	0	0	0	118.1	S999 D1007 L1009 N1095 L1096 M1097	S999-S1005 PolarHBondContact O-N 3.22Å; S999-S1005 WeakPolarHBondContact OG-CA 3.34Å; S999-S1005 WeakPolarHBondContact OG-CB 3.27Å; S1005-D1007 PolarHBondContact O-N 2.79Å; S1005-L1009 WeakPolarHBondContact O-CB 3.09Å; S1005-L1009 PolarHBondContact O-N 3.35Å; S1005-N1095 PolarHBondContact OG-O 3.28Å; S1005-L1096 WeakPolarHBondContact OG-CA 3.46Å; S1005-M1097 PolarHBondContact N-O 3.15Å; S1005-M1097 PolarHBondContact OG-N 3.21Å; S1005-M1097 PolarHBondContact OG-O 3Å
1006	A	89.1	Confident	88.9	Confident	19 Å²	19	15.9 Å²	15.9	16%	0.157	9%	0.093	C	C	.	.	H	α-helix	trans	-67	-24.4	-176	0	0	0	0	0	113.2	C1004 R1082 M1097	C1004-A1006 PolarHBondContact O-N 2.94Å; C1004-A1006 VanDerWaalsContact O-N 3.17Å; A1006-R1082 PolarHBondContact O-NH2 3.23Å; A1006-M1097 WeakPolarHBondContact CB-O 3.39Å; A1006-M1097 PolarHBondContact N-O 3.48Å
1007	D	89.6	Confident	88.5	Confident	8 Å²	8	16.6 Å²	16.6	4%	0.043	10%	0.098	C	C	.	.	H	α-helix	trans	-101	-39	-174.1	-58.3	-64.9	0	0	0	111.3	C1004 S1005 L1009 I1010 I1011 L1049 M1053 S1098 I1106	C1004-D1007 PolarHBondContact O-N 3.5Å; C1004-D1007 VanDerWaalsContact O-N 3.14Å; S1005-D1007 PolarHBondContact O-N 2.79Å; D1007-L1009 VanDerWaalsContact C-N 3.26Å; D1007-L1009 PolarHBondContact O-N 3.48Å; D1007-I1010 WeakPolarHBondContact O-CA 3.35Å; D1007-I1010 WeakPolarHBondContact O-CB 3.48Å; D1007-I1010 PolarHBondContact O-N 3.23Å; D1007-I1011 PolarHBondContact O-N 3.2Å; D1007-L1049 HydrophobicContact CB-CD1 4.26Å; D1007-L1049 HydrophobicContact CB-CD2 3.96Å; D1007-M1053 VanDerWaalsContact OD1-CE 3.25Å; D1007-M1053 WeakPolarHBondContact OD1-CE 3.46Å; D1007-S1098 WeakPolarHBondContact OD2-CA 3.49Å; D1007-S1098 VanDerWaalsContact OD2-CB 3.27Å; D1007-S1098 WeakPolarHBondContact OD2-CB 3.21Å; D1007-S1098 PolarHBondContact OD2-OG 3.21Å; D1007-I1106 HydrophobicContact CB-CD1 3.96Å
1008	I	91.4	Very high	87.7	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-38.3	166.2	-66.5	-73.4	0	0	0	110.8	M995 L996 C1004 I1010 I1011 V1012 I1106 C1109 I1110	M995-I1008 HydrophobicContact CB-CG2 4.47Å; M995-I1008 HydrophobicContact CE-CG2 4.39Å; M995-I1008 HydrophobicContact CG-CG2 3.92Å; L996-I1008 HydrophobicContact CD2-CG2 4.44Å; C1004-I1008 HydrophobicContact CB-CG1 4.47Å; C1004-I1008 PolarHBondContact O-N 2.83Å; I1008-I1010 PolarHBondContact O-N 3.19Å; I1008-I1011 HydrophobicContact CD1-CD1 4.39Å; I1008-I1011 PolarHBondContact O-N 3.04Å; I1008-I1011 VanDerWaalsContact O-N 3.1Å; I1008-V1012 HydrophobicContact CG2-CG2 4.13Å; I1008-V1012 WeakPolarHBondContact O-CB 3.32Å; I1008-V1012 VanDerWaalsContact O-CG2 3.32Å; I1008-V1012 WeakPolarHBondContact O-CG2 3.38Å; I1008-V1012 PolarHBondContact O-N 2.88Å; I1008-I1106 HydrophobicContact CD1-CG2 3.73Å; I1008-I1106 HydrophobicContact CG1-CG2 4.42Å; I1008-C1109 HydrophobicContact CD1-CB 3.65Å; I1008-C1109 HydrophobicContact CG1-CB 3.78Å; I1008-I1110 HydrophobicContact CD1-CG1 3.94Å
1009	L	92	Very high	87.1	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-58.5	-33.2	171.7	174.7	62.1	0	0	0	113	L996 S1005 D1007 S1013 R1082 L1085 K1086 M1089 L1096	L996-L1009 HydrophobicContact CD2-CB 4.3Å; L996-L1009 HydrophobicContact CD2-CD1 4.21Å; S1005-L1009 WeakPolarHBondContact O-CB 3.09Å; S1005-L1009 PolarHBondContact O-N 3.35Å; D1007-L1009 VanDerWaalsContact C-N 3.26Å; D1007-L1009 PolarHBondContact O-N 3.48Å; L1009-S1013 WeakPolarHBondContact O-CB 3.21Å; L1009-S1013 PolarHBondContact O-N 3.41Å; L1009-S1013 PolarHBondContact O-OG 3.04Å; L1009-R1082 HydrophobicContact CD1-CG 4.49Å; L1009-R1082 HydrophobicContact CD2-CG 4.32Å; L1009-R1082 HydrophobicContact CG-CG 4.01Å; L1009-L1085 HydrophobicContact CD1-CB 3.49Å; L1009-L1085 VanDerWaalsContact CD1-CB 3.49Å; L1009-L1085 HydrophobicContact CD1-CD1 4.22Å; L1009-K1086 HydrophobicContact CD2-CB 3.98Å; L1009-K1086 HydrophobicContact CD2-CG 4.26Å; L1009-M1089 HydrophobicContact CD1-SD 3.95Å; L1009-M1089 HydrophobicContact CD2-SD 4.08Å; L1009-M1089 HydrophobicContact CG-SD 4.4Å; L1009-L1096 HydrophobicContact CD2-CD2 4.19Å
1010	I	91.4	Very high	86.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.3	-49.9	171.7	-64.9	166.3	0	0	0	109.8	D1007 I1008 V1012 S1013 M1014 L1049 Y1052 M1053 R1082	D1007-I1010 WeakPolarHBondContact O-CA 3.35Å; D1007-I1010 WeakPolarHBondContact O-CB 3.48Å; D1007-I1010 PolarHBondContact O-N 3.23Å; I1008-I1010 PolarHBondContact O-N 3.19Å; I1010-V1012 PolarHBondContact O-N 3.29Å; I1010-S1013 CarbonylContact O-C 3.15Å; I1010-S1013 WeakPolarHBondContact O-CA 3.41Å; I1010-S1013 WeakPolarHBondContact O-CB 3.49Å; I1010-S1013 PolarHBondContact O-N 3.08Å; I1010-M1014 HydrophobicContact CG2-CG 4.12Å; I1010-M1014 VanDerWaalsContact O-CG 3.32Å; I1010-M1014 WeakPolarHBondContact O-CG 3.5Å; I1010-M1014 PolarHBondContact O-N 3.45Å; I1010-L1049 HydrophobicContact CB-CD1 3.84Å; I1010-L1049 HydrophobicContact CD1-CD1 3.57Å; I1010-L1049 HydrophobicContact CG1-CD1 4.3Å; I1010-L1049 HydrophobicContact CG2-CD1 3.8Å; I1010-Y1052 HydrophobicContact CD1-CD1 3.97Å; I1010-Y1052 HydrophobicContact CD1-CE1 4.33Å; I1010-Y1052 HydrophobicContact CG1-CD1 4.24Å; I1010-Y1052 HydrophobicContact CG1-CE1 4.44Å; I1010-Y1052 HydrophobicContact CG2-CD1 3.88Å; I1010-Y1052 HydrophobicContact CG2-CD2 4.02Å; I1010-Y1052 HydrophobicContact CG2-CG 3.54Å; I1010-M1053 HydrophobicContact CD1-CE 3.54Å; I1010-M1053 HydrophobicContact CD1-SD 4.15Å; I1010-R1082 VanDerWaalsContact CG1-NH1 3.33Å
1011	I	91.6	Very high	86.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.3	-48.6	-177.7	-66.6	169.4	0	0	0	110.6	M995 D1007 I1008 S1013 M1014 L1015 H1045 L1046 L1049 I1106 I1110	M995-I1011 HydrophobicContact CE-CG2 4.2Å; D1007-I1011 PolarHBondContact O-N 3.2Å; I1008-I1011 HydrophobicContact CD1-CD1 4.39Å; I1008-I1011 PolarHBondContact O-N 3.04Å; I1008-I1011 VanDerWaalsContact O-N 3.1Å; I1011-S1013 VanDerWaalsContact C-N 3.28Å; I1011-S1013 PolarHBondContact O-N 3.04Å; I1011-M1014 PolarHBondContact O-N 3.45Å; I1011-M1014 VanDerWaalsContact O-N 3.11Å; I1011-L1015 HydrophobicContact CG2-CD1 4.08Å; I1011-L1015 HydrophobicContact CG2-CG 4.35Å; I1011-L1015 WeakPolarHBondContact O-CG 3.42Å; I1011-L1015 PolarHBondContact O-N 2.95Å; I1011-H1045 HydrophobicContact CG2-CB 4.3Å; I1011-L1046 HydrophobicContact CD1-CD2 4.37Å; I1011-L1049 HydrophobicContact CD1-CB 4.35Å; I1011-L1049 HydrophobicContact CD1-CD2 4.09Å; I1011-L1049 HydrophobicContact CG1-CB 4.09Å; I1011-L1049 HydrophobicContact CG1-CD2 4.46Å; I1011-I1106 HydrophobicContact CD1-CG2 3.56Å; I1011-I1110 HydrophobicContact CD1-CD1 4.41Å
1012	V	91.7	Very high	86.2	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-56.6	-41.7	174.2	172.6	0	0	0	0	111.8	L988 L992 M995 L996 I1008 I1010 S1016 L1085	L988-V1012 HydrophobicContact CD1-CG1 3.49Å; L988-V1012 VanDerWaalsContact CD1-CG1 3.49Å; L988-V1012 HydrophobicContact CD2-CG1 4.16Å; L988-V1012 HydrophobicContact CG-CG1 4.49Å; L992-V1012 HydrophobicContact CB-CG1 4.49Å; L992-V1012 HydrophobicContact CD2-CG2 4.38Å; M995-V1012 HydrophobicContact CE-CG2 3.36Å; L996-V1012 HydrophobicContact CD1-CG1 4.3Å; L996-V1012 HydrophobicContact CD2-CB 4.17Å; L996-V1012 HydrophobicContact CD2-CG1 4.37Å; L996-V1012 HydrophobicContact CD2-CG2 3.81Å; L996-V1012 HydrophobicContact CG-CG1 4.33Å; L996-V1012 HydrophobicContact CG-CG2 4.01Å; I1008-V1012 HydrophobicContact CG2-CG2 4.13Å; I1008-V1012 WeakPolarHBondContact O-CB 3.32Å; I1008-V1012 VanDerWaalsContact O-CG2 3.32Å; I1008-V1012 WeakPolarHBondContact O-CG2 3.38Å; I1008-V1012 PolarHBondContact O-N 2.88Å; I1010-V1012 PolarHBondContact O-N 3.29Å; V1012-S1016 VanDerWaalsContact O-CB 3.3Å; V1012-S1016 WeakPolarHBondContact O-CB 3.39Å; V1012-S1016 PolarHBondContact O-N 2.89Å; V1012-S1016 PolarHBondContact O-OG 3.47Å; V1012-L1085 HydrophobicContact CG1-CD1 3.85Å
1013	S	91	Very high	85.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.6	-31.4	178.6	-56.7	0	0	0	0	112.8	L1009 I1010 I1011 V1017 R1082	L1009-S1013 WeakPolarHBondContact O-CB 3.21Å; L1009-S1013 PolarHBondContact O-N 3.41Å; L1009-S1013 PolarHBondContact O-OG 3.04Å; I1010-S1013 CarbonylContact O-C 3.15Å; I1010-S1013 WeakPolarHBondContact O-CA 3.41Å; I1010-S1013 WeakPolarHBondContact O-CB 3.49Å; I1010-S1013 PolarHBondContact O-N 3.08Å; I1011-S1013 VanDerWaalsContact C-N 3.28Å; I1011-S1013 PolarHBondContact O-N 3.04Å; S1013-V1017 WeakPolarHBondContact O-CG2 3.27Å; S1013-R1082 VanDerWaalsContact OG-CA 3.27Å; S1013-R1082 WeakPolarHBondContact OG-CA 3.43Å; S1013-R1082 WeakPolarHBondContact OG-CB 3.44Å; S1013-R1082 PolarHBondContact OG-N 3.18Å
1014	M	89.3	Confident	85.2	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-73.1	-44.8	174.5	-65.8	-73.7	-89.2	0	0	111.1	I1010 I1011 S1016 V1017 I1020 Y1048 V1051 Y1052 M1075 V1078	I1010-M1014 HydrophobicContact CG2-CG 4.12Å; I1010-M1014 VanDerWaalsContact O-CG 3.32Å; I1010-M1014 WeakPolarHBondContact O-CG 3.5Å; I1010-M1014 PolarHBondContact O-N 3.45Å; I1011-M1014 PolarHBondContact O-N 3.45Å; I1011-M1014 VanDerWaalsContact O-N 3.11Å; M1014-S1016 VanDerWaalsContact C-N 3.33Å; M1014-S1016 PolarHBondContact O-N 2.96Å; M1014-V1017 PolarHBondContact O-N 2.9Å; M1014-I1020 HydrophobicContact CB-CD1 4.13Å; M1014-I1020 HydrophobicContact CE-CD1 3.36Å; M1014-I1020 HydrophobicContact CG-CD1 4.38Å; M1014-I1020 HydrophobicContact SD-CD1 3.4Å; M1014-I1020 WeakPolarHBondContact SD-CD1 3.41Å; M1014-Y1048 HydrophobicContact CB-CG 4.31Å; M1014-Y1048 HydrophobicContact CE-CD1 4.07Å; M1014-Y1048 HydrophobicContact CE-CG 4.47Å; M1014-Y1048 VanDerWaalsContact CE-O 3.25Å; M1014-Y1048 WeakPolarHBondContact CE-O 3.21Å; M1014-V1051 HydrophobicContact CE-CB 4.34Å; M1014-V1051 HydrophobicContact CE-CG1 4.18Å; M1014-Y1052 HydrophobicContact SD-CD2 4.03Å; M1014-M1075 HydrophobicContact CE-CE 4.1Å; M1014-M1075 HydrophobicContact CE-SD 4.1Å; M1014-M1075 HydrophobicContact SD-CE 4.23Å; M1014-M1075 HydrophobicContact SD-SD 4.22Å; M1014-V1078 HydrophobicContact CG-CG1 4.03Å; M1014-V1078 HydrophobicContact SD-CB 4.19Å; M1014-V1078 HydrophobicContact SD-CG1 3.56Å; M1014-V1078 VanDerWaalsContact SD-CG1 3.56Å; M1014-V1078 HydrophobicContact SD-CG2 3.75Å
1015	L	88.6	Confident	84.2	Confident	23 Å²	23	31.5 Å²	31.5	12%	0.12	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-34.2	176.9	-65.9	176.9	0	0	0	112.6	L992 M995 I1011 V1017 Y1048 C1169	L992-L1015 HydrophobicContact CD2-CD1 3.82Å; M995-L1015 HydrophobicContact CE-CD1 4.18Å; I1011-L1015 HydrophobicContact CG2-CD1 4.08Å; I1011-L1015 HydrophobicContact CG2-CG 4.35Å; I1011-L1015 WeakPolarHBondContact O-CG 3.42Å; I1011-L1015 PolarHBondContact O-N 2.95Å; L1015-V1017 PolarHBondContact O-N 3.26Å; L1015-V1017 VanDerWaalsContact O-N 3.1Å; L1015-Y1048 HydrophobicContact CD2-CD2 4.43Å; L1015-Y1048 HydrophobicContact CD2-CE2 4.24Å; L1015-C1169 HydrophobicContact CD2-CB 4.23Å
1016	S	85.1	Confident	83.4	Confident	26 Å²	26	34.8 Å²	34.8	18%	0.182	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-0.7	179.2	-60.8	0	0	0	0	114.6	L988 V1012 M1014	L988-S1016 WeakPolarHBondContact CD2-OG 2.81Å; V1012-S1016 VanDerWaalsContact O-CB 3.3Å; V1012-S1016 WeakPolarHBondContact O-CB 3.39Å; V1012-S1016 PolarHBondContact O-N 2.89Å; V1012-S1016 PolarHBondContact O-OG 3.47Å; M1014-S1016 VanDerWaalsContact C-N 3.33Å; M1014-S1016 PolarHBondContact O-N 2.96Å
1017	V	82.3	Confident	82.8	Confident	15 Å²	15	40.2 Å²	40.2	9%	0.091	22%	0.22	C	C	.	.	S	Bend	trans	-123.5	139.5	-175	176.3	0	0	0	0	109.5	S1013 M1014 L1015 A1074 K1077 V1078 V1081	S1013-V1017 WeakPolarHBondContact O-CG2 3.27Å; M1014-V1017 PolarHBondContact O-N 2.9Å; L1015-V1017 PolarHBondContact O-N 3.26Å; L1015-V1017 VanDerWaalsContact O-N 3.1Å; V1017-A1074 HydrophobicContact CG1-CB 3.86Å; V1017-K1077 HydrophobicContact CG1-CB 4.46Å; V1017-K1077 HydrophobicContact CG2-CB 4.3Å; V1017-V1078 HydrophobicContact CB-CG2 3.95Å; V1017-V1078 HydrophobicContact CG1-CG2 4.16Å; V1017-V1078 HydrophobicContact CG2-CG2 3.79Å; V1017-V1081 HydrophobicContact CG2-CG2 4.22Å
1018	P	73.5	Confident	82	Confident	110 Å²	110	42.7 Å²	42.7	71%	0.714	23%	0.231	S	C	*	.	S	Bend	trans	-54.4	152.4	177.9	-28	36	0	0	0	113.9	I1020	P1018-I1020 PolarHBondContact O-N 2.82Å
1019	A	75.4	Confident	81.3	Confident	78 Å²	78	46.4 Å²	46.4	65%	0.645	25%	0.249	S	C	*	.			trans	-35.9	119.2	-172.4	0	0	0	0	0	114.5
1020	I	82.1	Confident	80.6	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.267	C	S	.	.			trans	-80.5	-32.2	-168.2	-63.7	175.3	0	0	0	112.3	M1014 P1018 Y1048 I1070 H1071 A1074 M1075 V1078	M1014-I1020 HydrophobicContact CB-CD1 4.13Å; M1014-I1020 HydrophobicContact CE-CD1 3.36Å; M1014-I1020 HydrophobicContact CG-CD1 4.38Å; M1014-I1020 HydrophobicContact SD-CD1 3.4Å; M1014-I1020 WeakPolarHBondContact SD-CD1 3.41Å; P1018-I1020 PolarHBondContact O-N 2.82Å; I1020-Y1048 HydrophobicContact CD1-CD1 4.36Å; I1020-I1070 HydrophobicContact CG2-CG2 3.88Å; I1020-H1071 PolarHBondContact O-N 3.49Å; I1020-A1074 HydrophobicContact CG1-CB 4.49Å; I1020-M1075 HydrophobicContact CD1-SD 4.2Å; I1020-M1075 HydrophobicContact CG2-CG 4.26Å; I1020-M1075 HydrophobicContact CG2-SD 3.44Å; I1020-M1075 WeakPolarHBondContact CG2-SD 3.3Å; I1020-V1078 HydrophobicContact CD1-CG2 4.15Å
1021	F	82.6	Confident	80	Confident	31 Å²	31	50.5 Å²	50.5	14%	0.136	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-77.3	123.6	177.7	-59.9	-72.6	0	0	0	110.8	R1035 T1047 Y1048 V1051	F1021-R1035 HydrophobicContact CD1-CG 4Å; F1021-R1035 VanDerWaalsContact CD2-NE 3.26Å; F1021-R1035 HydrophobicContact CE1-CG 3.79Å; F1021-R1035 VanDerWaalsContact CE2-NE 3.27Å; F1021-R1035 HydrophobicContact CZ-CG 4.19Å; F1021-T1047 HydrophobicContact CZ-CG2 4.21Å; F1021-Y1048 HydrophobicContact CD2-CE1 4.26Å; F1021-Y1048 HydrophobicContact CE2-CD1 4.21Å; F1021-Y1048 AromaticContact CE2-CE1 3.67Å; F1021-Y1048 HydrophobicContact CE2-CE1 3.67Å; F1021-V1051 HydrophobicContact CE1-CG2 4.09Å; F1021-V1051 HydrophobicContact CZ-CG2 4.04Å
1022	Y	78.1	Confident	79.4	Confident	116 Å²	116	53.3 Å²	53.3	46%	0.455	28%	0.283	S	S	.	.			trans	-92.8	115.2	173.6	178.4	-125.9	0	0	0	109.7	P1024 S1031 F1069 H1071	Y1022-P1024 HydrophobicContact CD1-CB 4.46Å; Y1022-P1024 HydrophobicContact CD1-CG 4.39Å; Y1022-P1024 HydrophobicContact CE1-CB 3.79Å; Y1022-P1024 HydrophobicContact CE1-CG 4.15Å; Y1022-P1024 WeakPolarHBondContact O-CD 3.26Å; Y1022-S1031 PolarHBondContact O-OG 2.98Å; Y1022-F1069 WeakPolarHBondContact CB-O 3.08Å; Y1022-F1069 PolarHBondContact N-O 2.83Å; Y1022-F1069 WeakPolarHBondContact O-CB 3.37Å; Y1022-H1071 AromaticContact CD2-CE1 3.27Å; Y1022-H1071 WeakPolarHBondContact CD2-CE1 3.48Å; Y1022-H1071 AromaticContact CD2-NE2 3.54Å; Y1022-H1071 AromaticContact CG-CE1 3.55Å; Y1022-H1071 AromaticContact CG-NE2 3.95Å
1023	R	77.3	Confident	78.9	Confident	86 Å²	86	58.9 Å²	58.9	33%	0.325	31%	0.309	S	S	.	.			trans	-100.8	91.3	172.5	-79.2	-178.9	168.4	174.4	-2.8	110.1	K1025 D1032 P1140	R1023-K1025 PolarHBondContact O-N 2.67Å; R1023-D1032 IonicContact CZ-OD1 3.2Å; R1023-D1032 IonicContact CZ-OD2 3.89Å; R1023-D1032 VanDerWaalsContact CZ-OD2 3.29Å; R1023-D1032 IonicContact NE-OD1 2.76Å; R1023-D1032 PolarHBondContact NE-OD1 2.94Å; R1023-D1032 IonicContact NE-OD2 2.76Å; R1023-D1032 PolarHBondContact NE-OD2 3.49Å; R1023-D1032 IonicContact NH2-OD1 2.63Å; R1023-D1032 PolarHBondContact NH2-OD1 3.34Å; R1023-D1032 IonicContact NH2-OD2 3.97Å; R1023-D1032 PolarHBondContact NH2-OD2 3.2Å; R1023-P1140 PolarHBondContact NH1-O 3.43Å
1024	P	71.7	Confident	78.4	Confident	17 Å²	17	59.8 Å²	59.8	11%	0.11	32%	0.315	C	S	.	.			trans	-65.7	127.4	176.1	25.4	-33.8	0	0	0	111.5	Y1022 G1026 R1027 E1028 F1069	Y1022-P1024 HydrophobicContact CD1-CB 4.46Å; Y1022-P1024 HydrophobicContact CD1-CG 4.39Å; Y1022-P1024 HydrophobicContact CE1-CB 3.79Å; Y1022-P1024 HydrophobicContact CE1-CG 4.15Å; Y1022-P1024 WeakPolarHBondContact O-CD 3.26Å; P1024-G1026 PolarHBondContact O-N 3.24Å; P1024-R1027 HydrophobicContact CG-CB 3.96Å; P1024-R1027 CarbonylContact O-C 3.47Å; P1024-R1027 PolarHBondContact O-N 3.33Å; P1024-E1028 WeakPolarHBondContact O-CG 3.15Å; P1024-E1028 PolarHBondContact O-N 3.47Å; P1024-F1069 HydrophobicContact CG-CD1 3.92Å; P1024-F1069 HydrophobicContact CG-CE1 3.91Å
1025	K	67.8	Low	78	Confident	125 Å²	125	60.8 Å²	60.8	54%	0.543	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	122	177.1	-68.8	171.3	179.9	172.8	0	109.8	E787 R1023	E787-K1025 IonicContact OE1-NZ 2.62Å; E787-K1025 PolarHBondContact OE1-NZ 2.91Å; E787-K1025 IonicContact OE2-NZ 2.73Å; E787-K1025 PolarHBondContact OE2-NZ 2.91Å; R1023-K1025 PolarHBondContact O-N 2.67Å
1026	G	69.7	Low	77.7	Confident	69 Å²	69	66 Å²	66	71%	0.711	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.5	-11.2	-175.3	0	0	0	0	0	115.5	P1024	P1024-G1026 PolarHBondContact O-N 3.24Å
1027	R	76.9	Confident	77.6	Confident	133 Å²	133	72 Å²	72	50%	0.502	37%	0.365	S	S	.	.			trans	-128.9	39	170.6	-71.1	172.4	178.6	-117.7	10.2	110.7	P1024 E1029 E1030 S1031	P1024-R1027 HydrophobicContact CG-CB 3.96Å; P1024-R1027 CarbonylContact O-C 3.47Å; P1024-R1027 PolarHBondContact O-N 3.33Å; R1027-E1029 VanDerWaalsContact C-N 3.33Å; R1027-E1030 VanDerWaalsContact CD-OE2 3.27Å; R1027-E1030 WeakPolarHBondContact CD-OE2 3.4Å; R1027-E1030 WeakPolarHBondContact CG-OE2 3.36Å; R1027-E1030 IonicContact CZ-OE2 3.16Å; R1027-E1030 IonicContact NE-OE2 3.4Å; R1027-E1030 IonicContact NH1-OE1 3.17Å; R1027-E1030 IonicContact NH1-OE2 2.69Å; R1027-E1030 PolarHBondContact NH1-OE2 3.36Å; R1027-S1031 WeakPolarHBondContact O-CB 3.22Å; R1027-S1031 PolarHBondContact O-N 3.19Å
1028	E	72.3	Confident	77.7	Confident	60 Å²	60	71.5 Å²	71.5	28%	0.28	36%	0.361	S	S	.	.	H	α-helix	trans	-69.9	-33.2	-174.8	-65	172	-163	0	0	111.1	K492 P1024 D1032	K492-E1028 IonicContact NZ-OE1 2.92Å; K492-E1028 PolarHBondContact NZ-OE1 3.18Å; K492-E1028 IonicContact NZ-OE2 3.99Å; K492-E1028 PolarHBondContact NZ-OE2 3.13Å; P1024-E1028 WeakPolarHBondContact O-CG 3.15Å; P1024-E1028 PolarHBondContact O-N 3.47Å; E1028-D1032 WeakPolarHBondContact O-CB 3.46Å; E1028-D1032 PolarHBondContact O-N 2.94Å
1029	E	76.5	Confident	78.1	Confident	79 Å²	79	67.6 Å²	67.6	37%	0.369	34%	0.337	S	S	.	.	H	α-helix	trans	-76.1	-38.7	178.5	-52.8	-159.5	168.2	0	0	113.1	K496 R1027 S1031 D1032 Q1033	K496-E1029 WeakPolarHBondContact CE-OE1 3.25Å; K496-E1029 IonicContact NZ-OE1 3.96Å; K496-E1029 PolarHBondContact NZ-OE1 3.26Å; R1027-E1029 VanDerWaalsContact C-N 3.33Å; E1029-S1031 VanDerWaalsContact C-N 3.29Å; E1029-S1031 PolarHBondContact O-N 3.33Å; E1029-D1032 PolarHBondContact O-N 3.01Å; E1029-Q1033 WeakPolarHBondContact O-CB 3.47Å; E1029-Q1033 VanDerWaalsContact O-CG 3.25Å; E1029-Q1033 WeakPolarHBondContact O-CG 3.34Å; E1029-Q1033 PolarHBondContact O-N 2.87Å
1030	E	78.5	Confident	78.5	Confident	84 Å²	84	65 Å²	65	39%	0.393	31%	0.313	S	S	.	.	H	α-helix	trans	-57.5	-45.9	170.9	-63.4	-175.8	157	0	0	110.5	R1027 D1032 V1034 F1069	R1027-E1030 VanDerWaalsContact CD-OE2 3.27Å; R1027-E1030 WeakPolarHBondContact CD-OE2 3.4Å; R1027-E1030 WeakPolarHBondContact CG-OE2 3.36Å; R1027-E1030 IonicContact CZ-OE2 3.16Å; R1027-E1030 IonicContact NE-OE2 3.4Å; R1027-E1030 IonicContact NH1-OE1 3.17Å; R1027-E1030 IonicContact NH1-OE2 2.69Å; R1027-E1030 PolarHBondContact NH1-OE2 3.36Å; E1030-D1032 PolarHBondContact O-N 3.36Å; E1030-V1034 WeakPolarHBondContact O-CB 3.36Å; E1030-V1034 VanDerWaalsContact O-CG2 3.28Å; E1030-V1034 WeakPolarHBondContact O-CG2 3.23Å; E1030-V1034 PolarHBondContact O-N 2.99Å; E1030-V1034 VanDerWaalsContact O-N 3.07Å; E1030-F1069 HydrophobicContact CB-CE2 4.06Å; E1030-F1069 HydrophobicContact CB-CZ 3.98Å
1031	S	77.4	Confident	78.2	Confident	5 Å²	5	68.5 Å²	68.5	4%	0.035	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-44	177.7	-174.1	0	0	0	0	111.8	Y1022 R1027 E1029 R1035	Y1022-S1031 PolarHBondContact O-OG 2.98Å; R1027-S1031 WeakPolarHBondContact O-CB 3.22Å; R1027-S1031 PolarHBondContact O-N 3.19Å; E1029-S1031 VanDerWaalsContact C-N 3.29Å; E1029-S1031 PolarHBondContact O-N 3.33Å; S1031-R1035 VanDerWaalsContact O-CB 3.26Å; S1031-R1035 WeakPolarHBondContact O-CB 3.31Å; S1031-R1035 PolarHBondContact O-N 2.92Å
1032	D	79.6	Confident	78.1	Confident	58 Å²	58	70.6 Å²	70.6	31%	0.31	35%	0.346	S	S	.	.	H	α-helix	trans	-76.7	-37.3	-177.7	-77.3	-15.4	0	0	0	113.7	R1023 E1028 E1029 E1030 V1034 R1035 E1036	R1023-D1032 IonicContact CZ-OD1 3.2Å; R1023-D1032 IonicContact CZ-OD2 3.89Å; R1023-D1032 VanDerWaalsContact CZ-OD2 3.29Å; R1023-D1032 IonicContact NE-OD1 2.76Å; R1023-D1032 PolarHBondContact NE-OD1 2.94Å; R1023-D1032 IonicContact NE-OD2 2.76Å; R1023-D1032 PolarHBondContact NE-OD2 3.49Å; R1023-D1032 IonicContact NH2-OD1 2.63Å; R1023-D1032 PolarHBondContact NH2-OD1 3.34Å; R1023-D1032 IonicContact NH2-OD2 3.97Å; R1023-D1032 PolarHBondContact NH2-OD2 3.2Å; E1028-D1032 WeakPolarHBondContact O-CB 3.46Å; E1028-D1032 PolarHBondContact O-N 2.94Å; E1029-D1032 PolarHBondContact O-N 3.01Å; E1030-D1032 PolarHBondContact O-N 3.36Å; D1032-V1034 VanDerWaalsContact C-N 3.31Å; D1032-V1034 PolarHBondContact O-N 2.6Å; D1032-R1035 PolarHBondContact O-N 3.22Å; D1032-R1035 VanDerWaalsContact O-N 3.17Å; D1032-E1036 PolarHBondContact O-N 2.88Å
1033	Q	81.5	Confident	78.5	Confident	117 Å²	117	65.1 Å²	65.1	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-36.7	170.8	-71.5	171.6	28.5	0	0	112.4	E1029	E1029-Q1033 WeakPolarHBondContact O-CB 3.47Å; E1029-Q1033 VanDerWaalsContact O-CG 3.25Å; E1029-Q1033 WeakPolarHBondContact O-CG 3.34Å; E1029-Q1033 PolarHBondContact O-N 2.87Å
1034	V	81.2	Confident	78.9	Confident	20 Å²	20	61.2 Å²	61.2	12%	0.121	31%	0.31	C	S	.	.	H	α-helix	trans	-73.5	-34.1	175	174.1	0	0	0	0	111	E1030 D1032 K1037 F1038 H1068 F1069	E1030-V1034 WeakPolarHBondContact O-CB 3.36Å; E1030-V1034 VanDerWaalsContact O-CG2 3.28Å; E1030-V1034 WeakPolarHBondContact O-CG2 3.23Å; E1030-V1034 PolarHBondContact O-N 2.99Å; E1030-V1034 VanDerWaalsContact O-N 3.07Å; D1032-V1034 VanDerWaalsContact C-N 3.31Å; D1032-V1034 PolarHBondContact O-N 2.6Å; V1034-K1037 WeakPolarHBondContact O-CB 3.4Å; V1034-K1037 PolarHBondContact O-N 3.21Å; V1034-F1038 HydrophobicContact CG1-CE2 4.27Å; V1034-H1068 HydrophobicContact CG1-CB 4.11Å; V1034-F1069 HydrophobicContact CB-CD2 4.35Å; V1034-F1069 HydrophobicContact CG2-CD2 4.45Å; V1034-F1069 HydrophobicContact CG2-CE2 4.3Å
1035	R	80.8	Confident	79.7	Confident	23 Å²	23	60.4 Å²	60.4	9%	0.087	31%	0.305	C	S	.	.	H	α-helix	trans	-69.1	-36.5	176.6	-174.6	166.6	-179.7	-103.2	-14.1	113.4	F1021 S1031 D1032 K1037 F1038 S1039 T1141	F1021-R1035 HydrophobicContact CD1-CG 4Å; F1021-R1035 VanDerWaalsContact CD2-NE 3.26Å; F1021-R1035 HydrophobicContact CE1-CG 3.79Å; F1021-R1035 VanDerWaalsContact CE2-NE 3.27Å; F1021-R1035 HydrophobicContact CZ-CG 4.19Å; S1031-R1035 VanDerWaalsContact O-CB 3.26Å; S1031-R1035 WeakPolarHBondContact O-CB 3.31Å; S1031-R1035 PolarHBondContact O-N 2.92Å; D1032-R1035 PolarHBondContact O-N 3.22Å; D1032-R1035 VanDerWaalsContact O-N 3.17Å; R1035-K1037 PolarHBondContact O-N 3.49Å; R1035-F1038 PolarHBondContact O-N 3.43Å; R1035-S1039 PolarHBondContact O-N 3.39Å; R1035-T1141 PolarHBondContact NH1-O 2.78Å; R1035-T1141 PolarHBondContact NH2-O 3.34Å
1036	E	81.4	Confident	80.7	Confident	134 Å²	134	54.5 Å²	54.5	63%	0.626	28%	0.279	S	S	*	.	H	α-helix	trans	-54.7	-39	176.1	-171.4	174.4	-163.5	0	0	111.8	D1032 F1038 S1039	D1032-E1036 PolarHBondContact O-N 2.88Å; E1036-F1038 PolarHBondContact O-N 3.17Å; E1036-F1038 VanDerWaalsContact O-N 3.12Å; E1036-S1039 WeakPolarHBondContact O-CB 3.04Å; E1036-S1039 PolarHBondContact O-N 3.12Å; E1036-S1039 PolarHBondContact O-OG 2.99Å
1037	K	84	Confident	81.7	Confident	151 Å²	151	51.3 Å²	51.3	66%	0.657	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.4	176.7	-57.6	169.6	-169.8	173.5	0	114.4	V1034 R1035	V1034-K1037 WeakPolarHBondContact O-CB 3.4Å; V1034-K1037 PolarHBondContact O-N 3.21Å; R1035-K1037 PolarHBondContact O-N 3.49Å
1038	F	82.9	Confident	82.2	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.018	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-16.4	174.8	-57.4	-60.7	0	0	0	113.2	V1034 R1035 E1036 V1040 N1050 V1051 W1064 H1068 I1070	V1034-F1038 HydrophobicContact CG1-CE2 4.27Å; R1035-F1038 PolarHBondContact O-N 3.43Å; E1036-F1038 PolarHBondContact O-N 3.17Å; E1036-F1038 VanDerWaalsContact O-N 3.12Å; F1038-V1040 PolarHBondContact O-N 3.13Å; F1038-N1050 PolarHBondContact O-ND2 3.3Å; F1038-V1051 HydrophobicContact CB-CG2 3.69Å; F1038-V1051 HydrophobicContact CD1-CG2 4.14Å; F1038-V1051 HydrophobicContact CD2-CG2 4.04Å; F1038-V1051 HydrophobicContact CG-CG2 3.71Å; F1038-W1064 HydrophobicContact CE1-CH2 4.2Å; F1038-W1064 AromaticContact CE1-CZ2 3.78Å; F1038-W1064 HydrophobicContact CE1-CZ2 3.78Å; F1038-W1064 HydrophobicContact CZ-CH2 4.05Å; F1038-W1064 AromaticContact CZ-CZ2 3.73Å; F1038-W1064 HydrophobicContact CZ-CZ2 3.73Å; F1038-H1068 HydrophobicContact CE2-CB 3.97Å; F1038-H1068 AromaticContact CE2-CD2 3.96Å; F1038-H1068 HydrophobicContact CZ-CB 3.89Å; F1038-H1068 AromaticContact CZ-CD2 3.41Å; F1038-H1068 VanDerWaalsContact CZ-CD2 3.41Å; F1038-H1068 WeakPolarHBondContact CZ-CD2 3.45Å; F1038-H1068 AromaticContact CZ-CG 3.8Å; F1038-I1070 HydrophobicContact CE2-CD1 4.24Å; F1038-I1070 HydrophobicContact CZ-CD1 4.42Å
1039	S	81.7	Confident	83.1	Confident	28 Å²	28	43.6 Å²	43.6	20%	0.196	22%	0.215	C	C	.	.			trans	-66.4	130.2	-171.5	72.3	0	0	0	0	111.1	R1035 E1036	R1035-S1039 PolarHBondContact O-N 3.39Å; E1036-S1039 WeakPolarHBondContact O-CB 3.04Å; E1036-S1039 PolarHBondContact O-N 3.12Å; E1036-S1039 PolarHBondContact O-OG 2.99Å
1040	V	84.4	Confident	83.7	Confident	25 Å²	25	41.8 Å²	41.8	15%	0.152	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-96.8	115.7	170	178.3	0	0	0	0	106	F1038 E1042 S1043 L1046 T1047 N1050	F1038-V1040 PolarHBondContact O-N 3.13Å; V1040-E1042 HydrophobicContact CG1-CB 4.44Å; V1040-E1042 PolarHBondContact O-N 2.87Å; V1040-S1043 PolarHBondContact O-N 3.15Å; V1040-L1046 HydrophobicContact CB-CB 4.12Å; V1040-L1046 HydrophobicContact CG1-CB 4.05Å; V1040-L1046 HydrophobicContact CG1-CD1 4.36Å; V1040-L1046 HydrophobicContact CG2-CB 4.04Å; V1040-T1047 PolarHBondContact N-OG1 2.95Å; V1040-N1050 HydrophobicContact CG2-CB 4.49Å
1041	P	76.4	Confident	84.2	Confident	74 Å²	74	37.8 Å²	37.8	48%	0.481	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-33.8	-174.9	-31.6	35.6	0	0	0	114.2	L1144 M1147	P1041-L1144 WeakPolarHBondContact O-CD2 3.34Å; P1041-M1147 HydrophobicContact CB-CE 3.87Å; P1041-M1147 HydrophobicContact CB-SD 3.62Å; P1041-M1147 HydrophobicContact CG-CE 3.97Å; P1041-M1147 HydrophobicContact CG-SD 4.34Å
1042	E	80.1	Confident	84.8	Confident	75 Å²	75	37.7 Å²	37.7	35%	0.35	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-20.5	-176.9	-53.5	-175.2	106	0	0	114.4	V1040 R1107 A1172	V1040-E1042 HydrophobicContact CG1-CB 4.44Å; V1040-E1042 PolarHBondContact O-N 2.87Å; E1042-R1107 VanDerWaalsContact CD-CZ 3.45Å; E1042-R1107 VanDerWaalsContact CD-NH2 3.29Å; E1042-R1107 IonicContact OE1-CZ 2.72Å; E1042-R1107 IonicContact OE1-NH1 3.23Å; E1042-R1107 PolarHBondContact OE1-NH1 2.93Å; E1042-R1107 IonicContact OE1-NH2 3.02Å; E1042-R1107 PolarHBondContact OE1-NH2 3.29Å; E1042-R1107 IonicContact OE2-CZ 3.06Å; E1042-R1107 IonicContact OE2-NH1 2.97Å; E1042-R1107 PolarHBondContact OE2-NH1 3.39Å; E1042-R1107 IonicContact OE2-NH2 2.8Å; E1042-R1107 PolarHBondContact OE2-NH2 3.14Å; E1042-R1107 VanDerWaalsContact OE2-NH2 3.17Å; E1042-A1172 HydrophobicContact CB-CB 4.45Å; E1042-A1172 WeakPolarHBondContact O-CB 3.33Å; E1042-A1172 PolarHBondContact O-N 3.07Å
1043	S	85.5	Confident	85.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-169.7	147.4	179.9	58.9	0	0	0	0	117.5	V1040 L1046 T1047 V1170 T1171	V1040-S1043 PolarHBondContact O-N 3.15Å; S1043-L1046 VanDerWaalsContact OG-CB 3.23Å; S1043-L1046 WeakPolarHBondContact OG-CB 2.98Å; S1043-L1046 WeakPolarHBondContact OG-CD1 3.24Å; S1043-L1046 WeakPolarHBondContact OG-CG 3.25Å; S1043-L1046 PolarHBondContact OG-N 3.07Å; S1043-T1047 PolarHBondContact O-N 3.28Å; S1043-T1047 VanDerWaalsContact O-N 3.15Å; S1043-T1047 PolarHBondContact O-OG1 3.47Å; S1043-V1170 CarbonylContact C-O 3.56Å; S1043-V1170 WeakPolarHBondContact CA-O 3.27Å; S1043-T1171 VanDerWaalsContact CB-OG1 3.27Å; S1043-T1171 WeakPolarHBondContact CB-OG1 2.91Å
1044	D	87.2	Confident	85.6	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.027	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-33.3	166.5	-66.1	-43.7	0	0	0	112.4	T1047 Y1048 S1142 S1143 C1169 V1170	D1044-T1047 VanDerWaalsContact O-CB 3.31Å; D1044-T1047 WeakPolarHBondContact O-CB 3.19Å; D1044-T1047 PolarHBondContact O-N 2.8Å; D1044-Y1048 WeakPolarHBondContact O-CD2 3.26Å; D1044-Y1048 PolarHBondContact O-N 3.04Å; D1044-S1142 WeakPolarHBondContact OD1-CA 3.42Å; D1044-S1142 WeakPolarHBondContact OD2-CA 3.44Å; D1044-S1142 VanDerWaalsContact OD2-CB 3.3Å; D1044-S1142 WeakPolarHBondContact OD2-CB 3.4Å; D1044-S1142 PolarHBondContact OD2-OG 3.44Å; D1044-S1143 WeakPolarHBondContact OD1-CB 3.4Å; D1044-S1143 PolarHBondContact OD1-N 2.9Å; D1044-S1143 PolarHBondContact OD1-OG 2.85Å; D1044-C1169 HydrophobicContact CB-CB 4.41Å; D1044-V1170 PolarHBondContact N-O 2.88Å; D1044-V1170 PolarHBondContact OD2-N 2.9Å
1045	H	88.7	Confident	85.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-44.1	179.1	-69.5	100.1	0	0	0	112.2	I1011 Y1048 L1049 I1110 C1169 T1171	I1011-H1045 HydrophobicContact CG2-CB 4.3Å; H1045-Y1048 PolarHBondContact O-N 3.21Å; H1045-L1049 PolarHBondContact O-N 3.19Å; H1045-I1110 HydrophobicContact CB-CD1 3.56Å; H1045-C1169 PolarHBondContact CE1-O 3.11Å; H1045-T1171 PolarHBondContact ND1-OG1 2.89Å
1046	L	88.9	Confident	86.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-74.5	-28.2	174.2	-59.2	179.9	0	0	0	112.1	I1011 V1040 S1043 Y1048 L1049 N1050 W1103 I1106 R1107	I1011-L1046 HydrophobicContact CD1-CD2 4.37Å; V1040-L1046 HydrophobicContact CB-CB 4.12Å; V1040-L1046 HydrophobicContact CG1-CB 4.05Å; V1040-L1046 HydrophobicContact CG1-CD1 4.36Å; V1040-L1046 HydrophobicContact CG2-CB 4.04Å; S1043-L1046 VanDerWaalsContact OG-CB 3.23Å; S1043-L1046 WeakPolarHBondContact OG-CB 2.98Å; S1043-L1046 WeakPolarHBondContact OG-CD1 3.24Å; S1043-L1046 WeakPolarHBondContact OG-CG 3.25Å; S1043-L1046 PolarHBondContact OG-N 3.07Å; L1046-Y1048 VanDerWaalsContact C-N 3.33Å; L1046-Y1048 PolarHBondContact O-N 2.98Å; L1046-L1049 HydrophobicContact CD2-CD2 4.09Å; L1046-L1049 PolarHBondContact O-N 3.3Å; L1046-N1050 WeakPolarHBondContact O-CB 3.11Å; L1046-N1050 PolarHBondContact O-N 3.21Å; L1046-W1103 HydrophobicContact CB-CE3 4.49Å; L1046-W1103 HydrophobicContact CD1-CB 3.75Å; L1046-W1103 HydrophobicContact CD1-CD2 4.09Å; L1046-W1103 HydrophobicContact CD1-CE3 3.79Å; L1046-W1103 HydrophobicContact CD1-CG 4.11Å; L1046-W1103 HydrophobicContact CD2-CE3 3.61Å; L1046-W1103 HydrophobicContact CD2-CZ3 4.03Å; L1046-W1103 HydrophobicContact CG-CE3 4.16Å; L1046-I1106 HydrophobicContact CD2-CB 4.12Å; L1046-I1106 HydrophobicContact CD2-CD1 4.31Å; L1046-I1106 HydrophobicContact CD2-CG2 3.65Å; L1046-R1107 HydrophobicContact CD1-CG 4.33Å
1047	T	89.1	Confident	86.7	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-43	169.5	-60.6	0	0	0	0	111.5	F1021 V1040 S1043 D1044 N1050 V1051 S1143	F1021-T1047 HydrophobicContact CZ-CG2 4.21Å; V1040-T1047 PolarHBondContact N-OG1 2.95Å; S1043-T1047 PolarHBondContact O-N 3.28Å; S1043-T1047 VanDerWaalsContact O-N 3.15Å; S1043-T1047 PolarHBondContact O-OG1 3.47Å; D1044-T1047 VanDerWaalsContact O-CB 3.31Å; D1044-T1047 WeakPolarHBondContact O-CB 3.19Å; D1044-T1047 PolarHBondContact O-N 2.8Å; T1047-N1050 PolarHBondContact O-N 3.22Å; T1047-V1051 WeakPolarHBondContact O-CG2 3.47Å; T1047-V1051 PolarHBondContact O-N 2.99Å; T1047-S1143 PolarHBondContact OG1-OG 3.27Å
1048	Y	89.2	Confident	86.9	Confident	28 Å²	28	32.8 Å²	32.8	11%	0.11	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-41.7	172.9	-69	-57.3	0	0	0	112.8	M1014 L1015 I1020 F1021 D1044 H1045 L1046 N1050 V1051 Y1052 C1169	M1014-Y1048 HydrophobicContact CB-CG 4.31Å; M1014-Y1048 HydrophobicContact CE-CD1 4.07Å; M1014-Y1048 HydrophobicContact CE-CG 4.47Å; M1014-Y1048 VanDerWaalsContact CE-O 3.25Å; M1014-Y1048 WeakPolarHBondContact CE-O 3.21Å; L1015-Y1048 HydrophobicContact CD2-CD2 4.43Å; L1015-Y1048 HydrophobicContact CD2-CE2 4.24Å; I1020-Y1048 HydrophobicContact CD1-CD1 4.36Å; F1021-Y1048 HydrophobicContact CD2-CE1 4.26Å; F1021-Y1048 HydrophobicContact CE2-CD1 4.21Å; F1021-Y1048 AromaticContact CE2-CE1 3.67Å; F1021-Y1048 HydrophobicContact CE2-CE1 3.67Å; D1044-Y1048 WeakPolarHBondContact O-CD2 3.26Å; D1044-Y1048 PolarHBondContact O-N 3.04Å; H1045-Y1048 PolarHBondContact O-N 3.21Å; L1046-Y1048 VanDerWaalsContact C-N 3.33Å; L1046-Y1048 PolarHBondContact O-N 2.98Å; Y1048-N1050 VanDerWaalsContact C-N 3.34Å; Y1048-N1050 PolarHBondContact O-N 2.87Å; Y1048-V1051 PolarHBondContact O-N 2.89Å; Y1048-Y1052 PolarHBondContact O-N 3.5Å; Y1048-C1169 HydrophobicContact CE2-CB 4.35Å
1049	L	89.3	Confident	87	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-43.7	176.8	-177.9	53.4	0	0	0	111.5	D1007 I1010 I1011 H1045 L1046 Y1052 M1053 W1103 I1106	D1007-L1049 HydrophobicContact CB-CD1 4.26Å; D1007-L1049 HydrophobicContact CB-CD2 3.96Å; I1010-L1049 HydrophobicContact CB-CD1 3.84Å; I1010-L1049 HydrophobicContact CD1-CD1 3.57Å; I1010-L1049 HydrophobicContact CG1-CD1 4.3Å; I1010-L1049 HydrophobicContact CG2-CD1 3.8Å; I1011-L1049 HydrophobicContact CD1-CB 4.35Å; I1011-L1049 HydrophobicContact CD1-CD2 4.09Å; I1011-L1049 HydrophobicContact CG1-CB 4.09Å; I1011-L1049 HydrophobicContact CG1-CD2 4.46Å; H1045-L1049 PolarHBondContact O-N 3.19Å; L1046-L1049 HydrophobicContact CD2-CD2 4.09Å; L1046-L1049 PolarHBondContact O-N 3.3Å; L1049-Y1052 PolarHBondContact O-N 3.07Å; L1049-M1053 HydrophobicContact CD1-CE 4.02Å; L1049-M1053 HydrophobicContact CD1-CG 4.35Å; L1049-M1053 WeakPolarHBondContact O-CG 3.16Å; L1049-M1053 PolarHBondContact O-N 2.7Å; L1049-W1103 HydrophobicContact CD2-CZ3 3.88Å; L1049-W1103 HydrophobicContact CG-CZ3 4.44Å; L1049-I1106 HydrophobicContact CD2-CD1 3.72Å
1050	N	89.8	Confident	87.1	Confident	41 Å²	41	41.7 Å²	41.7	22%	0.219	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-52.1	174.5	-172.6	16.1	0	0	0	111.6	F1038 V1040 L1046 T1047 Y1048 Y1052 M1053 Q1054	F1038-N1050 PolarHBondContact O-ND2 3.3Å; V1040-N1050 HydrophobicContact CG2-CB 4.49Å; L1046-N1050 WeakPolarHBondContact O-CB 3.11Å; L1046-N1050 PolarHBondContact O-N 3.21Å; T1047-N1050 PolarHBondContact O-N 3.22Å; Y1048-N1050 VanDerWaalsContact C-N 3.34Å; Y1048-N1050 PolarHBondContact O-N 2.87Å; N1050-Y1052 VanDerWaalsContact C-N 3.31Å; N1050-Y1052 PolarHBondContact O-N 3.23Å; N1050-M1053 PolarHBondContact O-N 2.98Å; N1050-M1053 VanDerWaalsContact O-N 3.15Å; N1050-Q1054 WeakPolarHBondContact O-CG 3.49Å; N1050-Q1054 PolarHBondContact O-N 3.14Å; N1050-Q1054 PolarHBondContact OD1-NE2 2.96Å
1051	V	89.9	Confident	87.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.4	-43.7	176.7	169	0	0	0	0	111.9	M1014 F1021 F1038 T1047 Y1048 W1055 I1070 M1075	M1014-V1051 HydrophobicContact CE-CB 4.34Å; M1014-V1051 HydrophobicContact CE-CG1 4.18Å; F1021-V1051 HydrophobicContact CE1-CG2 4.09Å; F1021-V1051 HydrophobicContact CZ-CG2 4.04Å; F1038-V1051 HydrophobicContact CB-CG2 3.69Å; F1038-V1051 HydrophobicContact CD1-CG2 4.14Å; F1038-V1051 HydrophobicContact CD2-CG2 4.04Å; F1038-V1051 HydrophobicContact CG-CG2 3.71Å; T1047-V1051 WeakPolarHBondContact O-CG2 3.47Å; T1047-V1051 PolarHBondContact O-N 2.99Å; Y1048-V1051 PolarHBondContact O-N 2.89Å; V1051-W1055 WeakPolarHBondContact O-CB 3.4Å; V1051-W1055 PolarHBondContact O-N 3.37Å; V1051-I1070 HydrophobicContact CG1-CD1 3.71Å; V1051-M1075 HydrophobicContact CG1-CE 4.3Å
1052	Y	89.2	Confident	87.4	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-43.6	177.7	-173.2	-78.8	0	0	0	112.1	I1010 M1014 Y1048 L1049 N1050 W1055 K1056 M1075 V1078 R1082	I1010-Y1052 HydrophobicContact CD1-CD1 3.97Å; I1010-Y1052 HydrophobicContact CD1-CE1 4.33Å; I1010-Y1052 HydrophobicContact CG1-CD1 4.24Å; I1010-Y1052 HydrophobicContact CG1-CE1 4.44Å; I1010-Y1052 HydrophobicContact CG2-CD1 3.88Å; I1010-Y1052 HydrophobicContact CG2-CD2 4.02Å; I1010-Y1052 HydrophobicContact CG2-CG 3.54Å; M1014-Y1052 HydrophobicContact SD-CD2 4.03Å; Y1048-Y1052 PolarHBondContact O-N 3.5Å; L1049-Y1052 PolarHBondContact O-N 3.07Å; N1050-Y1052 VanDerWaalsContact C-N 3.31Å; N1050-Y1052 PolarHBondContact O-N 3.23Å; Y1052-W1055 HydrophobicContact CD2-CE3 4.4Å; Y1052-W1055 HydrophobicContact CE2-CE3 4.24Å; Y1052-W1055 HydrophobicContact CE2-CZ3 4.2Å; Y1052-W1055 PolarHBondContact O-N 2.92Å; Y1052-K1056 HydrophobicContact CE1-CB 4.26Å; Y1052-K1056 WeakPolarHBondContact O-CB 3.26Å; Y1052-K1056 PolarHBondContact O-N 3.14Å; Y1052-M1075 HydrophobicContact CD2-CE 4.18Å; Y1052-V1078 HydrophobicContact CD2-CG1 3.8Å; Y1052-V1078 HydrophobicContact CE2-CG1 3.77Å; Y1052-R1082 VanDerWaalsContact CE1-NH1 3.3Å
1053	M	88.8	Confident	87.7	Confident	51 Å²	51	41.9 Å²	41.9	25%	0.251	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-40.5	-180	-69.4	-59.4	-165	0	0	111.8	D1007 I1010 L1049 N1050 K1056 N1057	D1007-M1053 VanDerWaalsContact OD1-CE 3.25Å; D1007-M1053 WeakPolarHBondContact OD1-CE 3.46Å; I1010-M1053 HydrophobicContact CD1-CE 3.54Å; I1010-M1053 HydrophobicContact CD1-SD 4.15Å; L1049-M1053 HydrophobicContact CD1-CE 4.02Å; L1049-M1053 HydrophobicContact CD1-CG 4.35Å; L1049-M1053 WeakPolarHBondContact O-CG 3.16Å; L1049-M1053 PolarHBondContact O-N 2.7Å; N1050-M1053 PolarHBondContact O-N 2.98Å; N1050-M1053 VanDerWaalsContact O-N 3.15Å; M1053-K1056 PolarHBondContact O-N 2.9Å; M1053-K1056 HydrophobicContact SD-CD 4.2Å; M1053-N1057 WeakPolarHBondContact O-CB 3.4Å; M1053-N1057 PolarHBondContact O-N 2.95Å; M1053-N1057 PolarHBondContact O-OD1 2.62Å
1054	Q	88.5	Confident	87.8	Confident	63 Å²	63	42.9 Å²	42.9	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-65.9	-39.8	174.9	-64.9	-167	39.3	0	0	112.1	N1050 K1056 N1057 N1058 W1064	N1050-Q1054 WeakPolarHBondContact O-CG 3.49Å; N1050-Q1054 PolarHBondContact O-N 3.14Å; N1050-Q1054 PolarHBondContact OD1-NE2 2.96Å; Q1054-K1056 PolarHBondContact O-N 3.36Å; Q1054-N1057 PolarHBondContact O-N 2.66Å; Q1054-N1058 PolarHBondContact O-N 2.69Å; Q1054-N1058 PolarHBondContact O-ND2 2.91Å; Q1054-W1064 HydrophobicContact CB-CH2 4.19Å; Q1054-W1064 HydrophobicContact CB-CZ2 3.8Å
1055	W	88.9	Confident	87.6	Confident	12 Å²	12	42.7 Å²	42.7	5%	0.045	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-41.3	173.4	-176.3	50.6	0	0	0	113	V1051 Y1052 N1058 Y1060 S1061 W1064 C1065 M1075 R1079	V1051-W1055 WeakPolarHBondContact O-CB 3.4Å; V1051-W1055 PolarHBondContact O-N 3.37Å; Y1052-W1055 HydrophobicContact CD2-CE3 4.4Å; Y1052-W1055 HydrophobicContact CE2-CE3 4.24Å; Y1052-W1055 HydrophobicContact CE2-CZ3 4.2Å; Y1052-W1055 PolarHBondContact O-N 2.92Å; W1055-N1058 CarbonylContact O-C 3.55Å; W1055-N1058 PolarHBondContact O-N 3.43Å; W1055-Y1060 AromaticContact CD2-CD1 3.88Å; W1055-Y1060 HydrophobicContact CD2-CD1 3.88Å; W1055-Y1060 AromaticContact CE2-CD1 3.98Å; W1055-Y1060 AromaticContact CE3-CD1 3.63Å; W1055-Y1060 HydrophobicContact CE3-CD1 3.63Å; W1055-Y1060 HydrophobicContact CE3-CE1 4.1Å; W1055-Y1060 AromaticContact CH2-CD1 3.66Å; W1055-Y1060 HydrophobicContact CH2-CD1 3.66Å; W1055-Y1060 HydrophobicContact CH2-CE1 4.49Å; W1055-Y1060 HydrophobicContact CH2-CG 4.47Å; W1055-Y1060 AromaticContact CZ2-CD1 3.88Å; W1055-Y1060 HydrophobicContact CZ2-CD1 3.88Å; W1055-Y1060 HydrophobicContact CZ2-CG 4.37Å; W1055-Y1060 AromaticContact CZ3-CD1 3.53Å; W1055-Y1060 HydrophobicContact CZ3-CD1 3.53Å; W1055-Y1060 HydrophobicContact CZ3-CE1 4.01Å; W1055-Y1060 VanDerWaalsContact NE1-C 3.28Å; W1055-Y1060 PolarHBondContact NE1-O 2.75Å; W1055-Y1060 PolarHBondContact O-N 3.06Å; W1055-S1061 PolarHBondContact NE1-O 3.35Å; W1055-W1064 HydrophobicContact CB-CE3 4.12Å; W1055-W1064 HydrophobicContact CB-CH2 4.01Å; W1055-W1064 HydrophobicContact CB-CZ3 3.53Å; W1055-W1064 AromaticContact CD1-CE3 3.59Å; W1055-W1064 AromaticContact CD1-CZ3 3.79Å; W1055-W1064 HydrophobicContact CG-CE3 4.22Å; W1055-W1064 AromaticContact CG-CZ3 3.97Å; W1055-W1064 HydrophobicContact CG-CZ3 3.97Å; W1055-C1065 VanDerWaalsContact CD1-SG 3.53Å; W1055-C1065 PolarHBondContact NE1-SG 3.46Å; W1055-M1075 HydrophobicContact CB-CE 4.04Å; W1055-M1075 HydrophobicContact CD2-CB 4.07Å; W1055-M1075 HydrophobicContact CD2-CE 3.79Å; W1055-M1075 HydrophobicContact CD2-CG 4.49Å; W1055-M1075 HydrophobicContact CE3-CB 3.98Å; W1055-M1075 HydrophobicContact CE3-CE 3.45Å; W1055-M1075 VanDerWaalsContact CE3-CE 3.45Å; W1055-M1075 HydrophobicContact CG-CE 4.06Å; W1055-M1075 VanDerWaalsContact CH2-C 3.44Å; W1055-M1075 HydrophobicContact CH2-CB 3.63Å; W1055-M1075 VanDerWaalsContact CH2-O 3.24Å; W1055-M1075 WeakPolarHBondContact CH2-O 3.5Å; W1055-M1075 HydrophobicContact CZ2-CB 3.74Å; W1055-M1075 HydrophobicContact CZ3-CB 3.75Å; W1055-M1075 HydrophobicContact CZ3-CE 4.16Å; W1055-M1075 VanDerWaalsContact CZ3-O 3.26Å; W1055-M1075 WeakPolarHBondContact CZ3-O 3.49Å; W1055-R1079 HydrophobicContact CZ3-CB 4.38Å
1056	K	88.7	Confident	87.4	Confident	89 Å²	89	47.6 Å²	47.6	39%	0.387	24%	0.243	S	C	.	.	H	α-helix	trans	-62.1	-45.1	175.1	173.2	-169.3	168.9	-156.6	0	111.3	Y1052 M1053 Q1054 N1058 N1059 Y1060	Y1052-K1056 HydrophobicContact CE1-CB 4.26Å; Y1052-K1056 WeakPolarHBondContact O-CB 3.26Å; Y1052-K1056 PolarHBondContact O-N 3.14Å; M1053-K1056 PolarHBondContact O-N 2.9Å; M1053-K1056 HydrophobicContact SD-CD 4.2Å; Q1054-K1056 PolarHBondContact O-N 3.36Å; K1056-N1058 VanDerWaalsContact C-N 3.31Å; K1056-N1058 PolarHBondContact O-N 2.94Å; K1056-N1059 PolarHBondContact O-N 3.33Å; K1056-Y1060 HydrophobicContact CB-CE1 4.28Å
1057	N	89.6	Confident	87.2	Confident	110 Å²	110	52.1 Å²	52.1	59%	0.588	27%	0.267	S	S	*	.	H	α-helix	trans	-63.7	-38.2	178.7	-67.9	-7.6	0	0	0	111.3	M1053 Q1054 N1059	M1053-N1057 WeakPolarHBondContact O-CB 3.4Å; M1053-N1057 PolarHBondContact O-N 2.95Å; M1053-N1057 PolarHBondContact O-OD1 2.62Å; Q1054-N1057 PolarHBondContact O-N 2.66Å; N1057-N1059 PolarHBondContact O-N 3.16Å
1058	N	88.4	Confident	87	Confident	75 Å²	75	54.5 Å²	54.5	40%	0.401	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	36.4	174.7	-65.6	-32.7	0	0	0	113.1	Q1054 W1055 K1056 Y1060 S1061 W1064	Q1054-N1058 PolarHBondContact O-N 2.69Å; Q1054-N1058 PolarHBondContact O-ND2 2.91Å; W1055-N1058 CarbonylContact O-C 3.55Å; W1055-N1058 PolarHBondContact O-N 3.43Å; K1056-N1058 VanDerWaalsContact C-N 3.31Å; K1056-N1058 PolarHBondContact O-N 2.94Å; N1058-Y1060 PolarHBondContact O-N 3.47Å; N1058-S1061 VanDerWaalsContact O-CB 3.31Å; N1058-S1061 WeakPolarHBondContact O-CB 3.32Å; N1058-S1061 PolarHBondContact O-N 3.04Å; N1058-W1064 HydrophobicContact CB-CG 4.17Å; N1058-W1064 PolarHBondContact ND2-NE1 3.35Å
1059	N	85.1	Confident	86.7	Confident	145 Å²	145	55 Å²	55	78%	0.775	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	33.3	173	-71.2	-53.3	0	0	0	115.3	K1056 N1057 S1061	K1056-N1059 PolarHBondContact O-N 3.33Å; N1057-N1059 PolarHBondContact O-N 3.16Å; N1059-S1061 PolarHBondContact O-N 3.48Å
1060	Y	83.2	Confident	86.5	Confident	74 Å²	74	55 Å²	55	29%	0.29	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	26.8	-177	-51.9	-80.6	0	0	0	114.3	W1055 K1056 N1058 R1079	W1055-Y1060 AromaticContact CD2-CD1 3.88Å; W1055-Y1060 HydrophobicContact CD2-CD1 3.88Å; W1055-Y1060 AromaticContact CE2-CD1 3.98Å; W1055-Y1060 AromaticContact CE3-CD1 3.63Å; W1055-Y1060 HydrophobicContact CE3-CD1 3.63Å; W1055-Y1060 HydrophobicContact CE3-CE1 4.1Å; W1055-Y1060 AromaticContact CH2-CD1 3.66Å; W1055-Y1060 HydrophobicContact CH2-CD1 3.66Å; W1055-Y1060 HydrophobicContact CH2-CE1 4.49Å; W1055-Y1060 HydrophobicContact CH2-CG 4.47Å; W1055-Y1060 AromaticContact CZ2-CD1 3.88Å; W1055-Y1060 HydrophobicContact CZ2-CD1 3.88Å; W1055-Y1060 HydrophobicContact CZ2-CG 4.37Å; W1055-Y1060 AromaticContact CZ3-CD1 3.53Å; W1055-Y1060 HydrophobicContact CZ3-CD1 3.53Å; W1055-Y1060 HydrophobicContact CZ3-CE1 4.01Å; W1055-Y1060 VanDerWaalsContact NE1-C 3.28Å; W1055-Y1060 PolarHBondContact NE1-O 2.75Å; W1055-Y1060 PolarHBondContact O-N 3.06Å; K1056-Y1060 HydrophobicContact CB-CE1 4.28Å; N1058-Y1060 PolarHBondContact O-N 3.47Å; Y1060-R1079 VanDerWaalsContact CD2-NH1 3.28Å
1061	S	84.8	Confident	86.1	Confident	40 Å²	40	56.8 Å²	56.8	28%	0.28	29%	0.288	S	S	.	.			trans	-56.2	138.2	-176.2	-178.1	0	0	0	0	113	W1055 N1058 N1059 I1063 C1065	W1055-S1061 PolarHBondContact NE1-O 3.35Å; N1058-S1061 VanDerWaalsContact O-CB 3.31Å; N1058-S1061 WeakPolarHBondContact O-CB 3.32Å; N1058-S1061 PolarHBondContact O-N 3.04Å; N1059-S1061 PolarHBondContact O-N 3.48Å; S1061-I1063 PolarHBondContact OG-N 3.03Å; S1061-C1065 PolarHBondContact O-SG 2.87Å
1062	S	83.2	Confident	85.8	Confident	36 Å²	36	58.7 Å²	58.7	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-77.7	-26.4	171.4	-60.7	0	0	0	0	112.5	Q536 N1066	Q536-S1062 PolarHBondContact NE2-OG 2.97Å; S1062-N1066 PolarHBondContact O-N 2.96Å
1063	I	86.5	Confident	85.4	Confident	101 Å²	101	64.1 Å²	64.1	52%	0.518	32%	0.323	S	S	.	.	H	α-helix	trans	-69	-53.3	179.7	-58.6	171.6	0	0	0	108.5	S1061 C1065 N1066 D1067	S1061-I1063 PolarHBondContact OG-N 3.03Å; I1063-C1065 PolarHBondContact O-N 3.18Å; I1063-C1065 VanDerWaalsContact O-N 3.08Å; I1063-N1066 WeakPolarHBondContact O-CA 3.27Å; I1063-N1066 WeakPolarHBondContact O-CB 3.36Å; I1063-N1066 PolarHBondContact O-N 3Å; I1063-D1067 PolarHBondContact O-N 3.44Å
1064	W	86.3	Confident	85.1	Confident	21 Å²	21	62.3 Å²	62.3	8%	0.08	32%	0.316	C	S	.	.	H	α-helix	trans	-51.6	-38.6	176.6	-179.7	87.2	0	0	0	113.2	F1038 Q1054 W1055 N1058 D1067 H1068 I1070	F1038-W1064 HydrophobicContact CE1-CH2 4.2Å; F1038-W1064 AromaticContact CE1-CZ2 3.78Å; F1038-W1064 HydrophobicContact CE1-CZ2 3.78Å; F1038-W1064 HydrophobicContact CZ-CH2 4.05Å; F1038-W1064 AromaticContact CZ-CZ2 3.73Å; F1038-W1064 HydrophobicContact CZ-CZ2 3.73Å; Q1054-W1064 HydrophobicContact CB-CH2 4.19Å; Q1054-W1064 HydrophobicContact CB-CZ2 3.8Å; W1055-W1064 HydrophobicContact CB-CE3 4.12Å; W1055-W1064 HydrophobicContact CB-CH2 4.01Å; W1055-W1064 HydrophobicContact CB-CZ3 3.53Å; W1055-W1064 AromaticContact CD1-CE3 3.59Å; W1055-W1064 AromaticContact CD1-CZ3 3.79Å; W1055-W1064 HydrophobicContact CG-CE3 4.22Å; W1055-W1064 AromaticContact CG-CZ3 3.97Å; W1055-W1064 HydrophobicContact CG-CZ3 3.97Å; N1058-W1064 HydrophobicContact CB-CG 4.17Å; N1058-W1064 PolarHBondContact ND2-NE1 3.35Å; W1064-D1067 WeakPolarHBondContact CA-OD2 3.35Å; W1064-H1068 AromaticContact CD1-CE1 3.37Å; W1064-H1068 AromaticContact CD1-ND1 3.44Å; W1064-H1068 AromaticContact CD2-ND1 3.86Å; W1064-H1068 AromaticContact CE2-CE1 3.97Å; W1064-H1068 AromaticContact CE2-ND1 3.68Å; W1064-H1068 AromaticContact CG-ND1 3.76Å; W1064-H1068 AromaticContact NE1-CE1 3.22Å; W1064-H1068 PolarHBondContact NE1-CE1 3.37Å; W1064-H1068 AromaticContact NE1-ND1 3.36Å; W1064-H1068 PolarHBondContact NE1-ND1 3.1Å; W1064-H1068 AromaticContact NE1-NE2 3.79Å; W1064-H1068 WeakPolarHBondContact O-CB 3.42Å; W1064-H1068 PolarHBondContact O-N 3.24Å; W1064-H1068 VanDerWaalsContact O-N 3.1Å; W1064-H1068 PolarHBondContact O-ND1 3.22Å; W1064-I1070 HydrophobicContact CH2-CD1 3.78Å; W1064-I1070 HydrophobicContact CZ3-CD1 3.64Å
1065	C	84	Confident	84.9	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-42.8	175.8	-66.4	0	0	0	0	112.3	W1055 S1061 I1063 H1068 F1069 I1070 T1072	W1055-C1065 VanDerWaalsContact CD1-SG 3.53Å; W1055-C1065 PolarHBondContact NE1-SG 3.46Å; S1061-C1065 PolarHBondContact O-SG 2.87Å; I1063-C1065 PolarHBondContact O-N 3.18Å; I1063-C1065 VanDerWaalsContact O-N 3.08Å; C1065-H1068 CarbonylContact O-C 3.53Å; C1065-H1068 PolarHBondContact O-N 3.34Å; C1065-F1069 PolarHBondContact O-N 3.4Å; C1065-I1070 HydrophobicContact CB-CB 4.25Å; C1065-I1070 HydrophobicContact CB-CG2 4.22Å; C1065-I1070 PolarHBondContact O-N 3.18Å; C1065-T1072 HydrophobicContact CB-CG2 3.39Å
1066	N	84.5	Confident	84.7	Confident	104 Å²	104	64.2 Å²	64.2	56%	0.556	32%	0.32	S	S	*	.	H	α-helix	trans	-65.4	-46.4	178.2	-64.5	-15.3	0	0	0	110.7	S1062 I1063 H1068 F1069	S1062-N1066 PolarHBondContact O-N 2.96Å; I1063-N1066 WeakPolarHBondContact O-CA 3.27Å; I1063-N1066 WeakPolarHBondContact O-CB 3.36Å; I1063-N1066 PolarHBondContact O-N 3Å; N1066-H1068 PolarHBondContact O-N 2.86Å; N1066-F1069 PolarHBondContact O-N 3.44Å; N1066-F1069 VanDerWaalsContact O-N 3.11Å
1067	D	84.9	Confident	84.4	Confident	95 Å²	95	64.4 Å²	64.4	51%	0.508	32%	0.321	S	S	.	.	H	α-helix	trans	-59	-30.3	179.2	-48.2	-29.5	0	0	0	112.3	I1063 W1064	I1063-D1067 PolarHBondContact O-N 3.44Å; W1064-D1067 WeakPolarHBondContact CA-OD2 3.35Å
1068	H	83.6	Confident	84.3	Confident	52 Å²	52	59.1 Å²	59.1	24%	0.241	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	15.8	-178.6	-63.1	82.2	0	0	0	113.9	V1034 F1038 W1064 C1065 N1066 I1070	V1034-H1068 HydrophobicContact CG1-CB 4.11Å; F1038-H1068 HydrophobicContact CE2-CB 3.97Å; F1038-H1068 AromaticContact CE2-CD2 3.96Å; F1038-H1068 HydrophobicContact CZ-CB 3.89Å; F1038-H1068 AromaticContact CZ-CD2 3.41Å; F1038-H1068 VanDerWaalsContact CZ-CD2 3.41Å; F1038-H1068 WeakPolarHBondContact CZ-CD2 3.45Å; F1038-H1068 AromaticContact CZ-CG 3.8Å; W1064-H1068 AromaticContact CD1-CE1 3.37Å; W1064-H1068 AromaticContact CD1-ND1 3.44Å; W1064-H1068 AromaticContact CD2-ND1 3.86Å; W1064-H1068 AromaticContact CE2-CE1 3.97Å; W1064-H1068 AromaticContact CE2-ND1 3.68Å; W1064-H1068 AromaticContact CG-ND1 3.76Å; W1064-H1068 AromaticContact NE1-CE1 3.22Å; W1064-H1068 PolarHBondContact NE1-CE1 3.37Å; W1064-H1068 AromaticContact NE1-ND1 3.36Å; W1064-H1068 PolarHBondContact NE1-ND1 3.1Å; W1064-H1068 AromaticContact NE1-NE2 3.79Å; W1064-H1068 WeakPolarHBondContact O-CB 3.42Å; W1064-H1068 PolarHBondContact O-N 3.24Å; W1064-H1068 VanDerWaalsContact O-N 3.1Å; W1064-H1068 PolarHBondContact O-ND1 3.22Å; C1065-H1068 CarbonylContact O-C 3.53Å; C1065-H1068 PolarHBondContact O-N 3.34Å; N1066-H1068 PolarHBondContact O-N 2.86Å; H1068-I1070 VanDerWaalsContact C-N 3.29Å; H1068-I1070 HydrophobicContact CB-CD1 4Å; H1068-I1070 PolarHBondContact O-N 2.99Å
1069	F	83.3	Confident	84.3	Confident	37 Å²	37	61.4 Å²	61.4	16%	0.162	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	42.7	180	-56.6	-82.5	0	0	0	113.9	Y1022 P1024 E1030 V1034 C1065 N1066	Y1022-F1069 WeakPolarHBondContact CB-O 3.08Å; Y1022-F1069 PolarHBondContact N-O 2.83Å; Y1022-F1069 WeakPolarHBondContact O-CB 3.37Å; P1024-F1069 HydrophobicContact CG-CD1 3.92Å; P1024-F1069 HydrophobicContact CG-CE1 3.91Å; E1030-F1069 HydrophobicContact CB-CE2 4.06Å; E1030-F1069 HydrophobicContact CB-CZ 3.98Å; V1034-F1069 HydrophobicContact CB-CD2 4.35Å; V1034-F1069 HydrophobicContact CG2-CD2 4.45Å; V1034-F1069 HydrophobicContact CG2-CE2 4.3Å; C1065-F1069 PolarHBondContact O-N 3.4Å; N1066-F1069 PolarHBondContact O-N 3.44Å; N1066-F1069 VanDerWaalsContact O-N 3.11Å
1070	I	85.1	Confident	84.3	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-110.5	135.1	179.9	-74.5	161.2	0	0	0	110.2	I1020 F1038 V1051 W1064 C1065 H1068 T1072 M1075	I1020-I1070 HydrophobicContact CG2-CG2 3.88Å; F1038-I1070 HydrophobicContact CE2-CD1 4.24Å; F1038-I1070 HydrophobicContact CZ-CD1 4.42Å; V1051-I1070 HydrophobicContact CG1-CD1 3.71Å; W1064-I1070 HydrophobicContact CH2-CD1 3.78Å; W1064-I1070 HydrophobicContact CZ3-CD1 3.64Å; C1065-I1070 HydrophobicContact CB-CB 4.25Å; C1065-I1070 HydrophobicContact CB-CG2 4.22Å; C1065-I1070 PolarHBondContact O-N 3.18Å; H1068-I1070 VanDerWaalsContact C-N 3.29Å; H1068-I1070 HydrophobicContact CB-CD1 4Å; H1068-I1070 PolarHBondContact O-N 2.99Å; I1070-T1072 PolarHBondContact O-N 3.26Å; I1070-M1075 HydrophobicContact CG2-CG 3.38Å; I1070-M1075 HydrophobicContact CG2-SD 4.02Å
1071	H	82.1	Confident	84.4	Confident	79 Å²	79	54.6 Å²	54.6	37%	0.366	26%	0.262	S	S	.	.			trans	-70.8	100.9	177.4	-77.2	-46.7	0	0	0	112.5	I1020 Y1022 K1073 A1074 M1075	I1020-H1071 PolarHBondContact O-N 3.49Å; Y1022-H1071 AromaticContact CD2-CE1 3.27Å; Y1022-H1071 WeakPolarHBondContact CD2-CE1 3.48Å; Y1022-H1071 AromaticContact CD2-NE2 3.54Å; Y1022-H1071 AromaticContact CG-CE1 3.55Å; Y1022-H1071 AromaticContact CG-NE2 3.95Å; H1071-K1073 VanDerWaalsContact C-N 3.27Å; H1071-K1073 PolarHBondContact O-N 2.77Å; H1071-A1074 HydrophobicContact CB-CB 3.77Å; H1071-A1074 WeakPolarHBondContact O-CA 3.29Å; H1071-A1074 WeakPolarHBondContact O-CB 3.34Å; H1071-A1074 PolarHBondContact O-N 2.77Å; H1071-M1075 PolarHBondContact O-N 2.95Å
1072	T	82.4	Confident	84.7	Confident	39 Å²	39	55.1 Å²	55.1	24%	0.239	26%	0.258	C	S	.	.	H	α-helix	trans	-46.4	-45.9	171.6	49.3	0	0	0	0	113.7	C1065 I1070 A1074 M1075 R1076	C1065-T1072 HydrophobicContact CB-CG2 3.39Å; I1070-T1072 PolarHBondContact O-N 3.26Å; T1072-A1074 PolarHBondContact O-N 2.75Å; T1072-M1075 PolarHBondContact O-N 3.02Å; T1072-R1076 PolarHBondContact O-N 2.66Å; T1072-R1076 VanDerWaalsContact O-N 3.1Å
1073	K	80.9	Confident	84.9	Confident	119 Å²	119	56.3 Å²	56.3	52%	0.517	27%	0.266	S	S	.	.	H	α-helix	trans	-65.8	-22.3	177.9	-66.5	179.9	179	178.8	0	112.9	D818 H1071 K1077	D818-K1073 IonicContact OD1-NZ 3.24Å; D818-K1073 IonicContact OD2-NZ 3.26Å; D818-K1073 PolarHBondContact OD2-NZ 2.85Å; H1071-K1073 VanDerWaalsContact C-N 3.27Å; H1071-K1073 PolarHBondContact O-N 2.77Å; K1073-K1077 WeakPolarHBondContact O-CG 3.28Å
1074	A	82.6	Confident	84.9	Confident	12 Å²	12	55 Å²	55	10%	0.099	26%	0.258	C	S	.	.	H	α-helix	trans	-84.7	-49.1	173.5	0	0	0	0	0	111.3	V1017 I1020 H1071 T1072 R1076 K1077 V1078	V1017-A1074 HydrophobicContact CG1-CB 3.86Å; I1020-A1074 HydrophobicContact CG1-CB 4.49Å; H1071-A1074 HydrophobicContact CB-CB 3.77Å; H1071-A1074 WeakPolarHBondContact O-CA 3.29Å; H1071-A1074 WeakPolarHBondContact O-CB 3.34Å; H1071-A1074 PolarHBondContact O-N 2.77Å; T1072-A1074 PolarHBondContact O-N 2.75Å; A1074-R1076 VanDerWaalsContact C-N 3.26Å; A1074-R1076 PolarHBondContact O-N 2.7Å; A1074-K1077 WeakPolarHBondContact O-CA 3.02Å; A1074-K1077 WeakPolarHBondContact O-CB 3.27Å; A1074-K1077 PolarHBondContact O-N 3.09Å; A1074-V1078 PolarHBondContact O-N 3.47Å
1075	M	85.4	Confident	85	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-35.4	179.6	-64.6	-58	-71.2	0	0	112.9	M1014 I1020 V1051 Y1052 W1055 I1070 H1071 T1072 V1078 R1079	M1014-M1075 HydrophobicContact CE-CE 4.1Å; M1014-M1075 HydrophobicContact CE-SD 4.1Å; M1014-M1075 HydrophobicContact SD-CE 4.23Å; M1014-M1075 HydrophobicContact SD-SD 4.22Å; I1020-M1075 HydrophobicContact CD1-SD 4.2Å; I1020-M1075 HydrophobicContact CG2-CG 4.26Å; I1020-M1075 HydrophobicContact CG2-SD 3.44Å; I1020-M1075 WeakPolarHBondContact CG2-SD 3.3Å; V1051-M1075 HydrophobicContact CG1-CE 4.3Å; Y1052-M1075 HydrophobicContact CD2-CE 4.18Å; W1055-M1075 HydrophobicContact CB-CE 4.04Å; W1055-M1075 HydrophobicContact CD2-CB 4.07Å; W1055-M1075 HydrophobicContact CD2-CE 3.79Å; W1055-M1075 HydrophobicContact CD2-CG 4.49Å; W1055-M1075 HydrophobicContact CE3-CB 3.98Å; W1055-M1075 HydrophobicContact CE3-CE 3.45Å; W1055-M1075 VanDerWaalsContact CE3-CE 3.45Å; W1055-M1075 HydrophobicContact CG-CE 4.06Å; W1055-M1075 VanDerWaalsContact CH2-C 3.44Å; W1055-M1075 HydrophobicContact CH2-CB 3.63Å; W1055-M1075 VanDerWaalsContact CH2-O 3.24Å; W1055-M1075 WeakPolarHBondContact CH2-O 3.5Å; W1055-M1075 HydrophobicContact CZ2-CB 3.74Å; W1055-M1075 HydrophobicContact CZ3-CB 3.75Å; W1055-M1075 HydrophobicContact CZ3-CE 4.16Å; W1055-M1075 VanDerWaalsContact CZ3-O 3.26Å; W1055-M1075 WeakPolarHBondContact CZ3-O 3.49Å; I1070-M1075 HydrophobicContact CG2-CG 3.38Å; I1070-M1075 HydrophobicContact CG2-SD 4.02Å; H1071-M1075 PolarHBondContact O-N 2.95Å; T1072-M1075 PolarHBondContact O-N 3.02Å; M1075-V1078 PolarHBondContact O-N 2.99Å; M1075-R1079 PolarHBondContact O-N 2.92Å
1076	R	84.8	Confident	85.3	Confident	116 Å²	116	58.6 Å²	58.6	44%	0.438	27%	0.274	S	S	.	.	H	α-helix	trans	-60.6	-44.7	172.1	-165.1	-178.9	-66	-172.8	1	111.8	T1072 A1074 R1079 E1080	T1072-R1076 PolarHBondContact O-N 2.66Å; T1072-R1076 VanDerWaalsContact O-N 3.1Å; A1074-R1076 VanDerWaalsContact C-N 3.26Å; A1074-R1076 PolarHBondContact O-N 2.7Å; R1076-R1079 WeakPolarHBondContact O-CB 3.46Å; R1076-R1079 PolarHBondContact O-N 2.69Å; R1076-R1079 VanDerWaalsContact O-N 3.16Å; R1076-E1080 WeakPolarHBondContact CG-OE1 3.31Å; R1076-E1080 WeakPolarHBondContact O-CG 3.35Å; R1076-E1080 PolarHBondContact O-N 2.81Å; R1076-E1080 VanDerWaalsContact O-N 3.09Å
1077	K	82.3	Confident	85.5	Confident	92 Å²	92	57.1 Å²	57.1	40%	0.4	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-38.8	176	-71	177.6	175.9	-175.8	0	112.9	V1017 K1073 A1074 R1079 E1080 V1081	V1017-K1077 HydrophobicContact CG1-CB 4.46Å; V1017-K1077 HydrophobicContact CG2-CB 4.3Å; K1073-K1077 WeakPolarHBondContact O-CG 3.28Å; A1074-K1077 WeakPolarHBondContact O-CA 3.02Å; A1074-K1077 WeakPolarHBondContact O-CB 3.27Å; A1074-K1077 PolarHBondContact O-N 3.09Å; K1077-R1079 PolarHBondContact O-N 3.46Å; K1077-E1080 WeakPolarHBondContact CA-OE2 3.48Å; K1077-E1080 WeakPolarHBondContact CG-OE2 3.49Å; K1077-E1080 PolarHBondContact O-N 2.99Å; K1077-E1080 VanDerWaalsContact O-N 3.15Å; K1077-V1081 WeakPolarHBondContact O-CB 3.3Å; K1077-V1081 WeakPolarHBondContact O-CG2 3.27Å; K1077-V1081 PolarHBondContact O-N 3.04Å
1078	V	88	Confident	85.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.6	-43.6	172.2	175.3	0	0	0	0	110.6	M1014 V1017 I1020 Y1052 A1074 M1075 R1082	M1014-V1078 HydrophobicContact CG-CG1 4.03Å; M1014-V1078 HydrophobicContact SD-CB 4.19Å; M1014-V1078 HydrophobicContact SD-CG1 3.56Å; M1014-V1078 VanDerWaalsContact SD-CG1 3.56Å; M1014-V1078 HydrophobicContact SD-CG2 3.75Å; V1017-V1078 HydrophobicContact CB-CG2 3.95Å; V1017-V1078 HydrophobicContact CG1-CG2 4.16Å; V1017-V1078 HydrophobicContact CG2-CG2 3.79Å; I1020-V1078 HydrophobicContact CD1-CG2 4.15Å; Y1052-V1078 HydrophobicContact CD2-CG1 3.8Å; Y1052-V1078 HydrophobicContact CE2-CG1 3.77Å; A1074-V1078 PolarHBondContact O-N 3.47Å; M1075-V1078 PolarHBondContact O-N 2.99Å; V1078-R1082 WeakPolarHBondContact O-CB 3.29Å; V1078-R1082 PolarHBondContact O-N 3.48Å
1079	R	87.3	Confident	85.7	Confident	123 Å²	123	51 Å²	51	46%	0.464	24%	0.235	S	C	.	.	H	α-helix	trans	-66.9	-37	178.1	178.5	175.7	166	176.4	-6.6	112.8	W1055 Y1060 M1075 R1076 K1077 S1083	W1055-R1079 HydrophobicContact CZ3-CB 4.38Å; Y1060-R1079 VanDerWaalsContact CD2-NH1 3.28Å; M1075-R1079 PolarHBondContact O-N 2.92Å; R1076-R1079 WeakPolarHBondContact O-CB 3.46Å; R1076-R1079 PolarHBondContact O-N 2.69Å; R1076-R1079 VanDerWaalsContact O-N 3.16Å; K1077-R1079 PolarHBondContact O-N 3.46Å; R1079-S1083 PolarHBondContact O-N 3.44Å; R1079-S1083 VanDerWaalsContact O-N 3.1Å
1080	E	85.1	Confident	86	Confident	75 Å²	75	53.3 Å²	53.3	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-50.5	175	-68.2	154.3	-173.5	0	0	111.2	R1076 K1077 R1082 S1083 Q1084	R1076-E1080 WeakPolarHBondContact CG-OE1 3.31Å; R1076-E1080 WeakPolarHBondContact O-CG 3.35Å; R1076-E1080 PolarHBondContact O-N 2.81Å; R1076-E1080 VanDerWaalsContact O-N 3.09Å; K1077-E1080 WeakPolarHBondContact CA-OE2 3.48Å; K1077-E1080 WeakPolarHBondContact CG-OE2 3.49Å; K1077-E1080 PolarHBondContact O-N 2.99Å; K1077-E1080 VanDerWaalsContact O-N 3.15Å; E1080-R1082 VanDerWaalsContact C-N 3.33Å; E1080-R1082 PolarHBondContact O-N 3.28Å; E1080-S1083 PolarHBondContact O-N 3Å; E1080-Q1084 PolarHBondContact O-N 3.1Å; E1080-Q1084 VanDerWaalsContact O-N 3.14Å
1081	V	86.4	Confident	86	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.2	-47.9	173.4	173.5	0	0	0	0	110.6	F648 V1017 K1077 S1083 Q1084 L1085	F648-V1081 HydrophobicContact CB-CG2 4.29Å; F648-V1081 HydrophobicContact CD1-CB 4.45Å; F648-V1081 HydrophobicContact CD1-CG2 3.71Å; F648-V1081 HydrophobicContact CD2-CG2 3.69Å; F648-V1081 HydrophobicContact CE1-CB 4.44Å; F648-V1081 HydrophobicContact CE1-CG1 4.13Å; F648-V1081 HydrophobicContact CE1-CG2 3.83Å; F648-V1081 HydrophobicContact CE2-CG2 3.8Å; F648-V1081 HydrophobicContact CG-CG2 3.64Å; F648-V1081 HydrophobicContact CZ-CG1 4.33Å; F648-V1081 HydrophobicContact CZ-CG2 3.86Å; V1017-V1081 HydrophobicContact CG2-CG2 4.22Å; K1077-V1081 WeakPolarHBondContact O-CB 3.3Å; K1077-V1081 WeakPolarHBondContact O-CG2 3.27Å; K1077-V1081 PolarHBondContact O-N 3.04Å; V1081-S1083 VanDerWaalsContact C-N 3.32Å; V1081-S1083 PolarHBondContact O-N 3.36Å; V1081-Q1084 PolarHBondContact O-N 3.21Å; V1081-L1085 HydrophobicContact CG1-CD1 3.75Å; V1081-L1085 HydrophobicContact CG1-CG 4.26Å; V1081-L1085 WeakPolarHBondContact O-CB 3.3Å; V1081-L1085 WeakPolarHBondContact O-CG 3.2Å; V1081-L1085 PolarHBondContact O-N 3.16Å
1082	R	89.8	Confident	86.1	Confident	52 Å²	52	58.4 Å²	58.4	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-40.9	180	-168.1	-170.1	177.8	172.7	6.3	112.1	A1006 L1009 I1010 S1013 Y1052 V1078 E1080 K1086	A1006-R1082 PolarHBondContact O-NH2 3.23Å; L1009-R1082 HydrophobicContact CD1-CG 4.49Å; L1009-R1082 HydrophobicContact CD2-CG 4.32Å; L1009-R1082 HydrophobicContact CG-CG 4.01Å; I1010-R1082 VanDerWaalsContact CG1-NH1 3.33Å; S1013-R1082 VanDerWaalsContact OG-CA 3.27Å; S1013-R1082 WeakPolarHBondContact OG-CA 3.43Å; S1013-R1082 WeakPolarHBondContact OG-CB 3.44Å; S1013-R1082 PolarHBondContact OG-N 3.18Å; Y1052-R1082 VanDerWaalsContact CE1-NH1 3.3Å; V1078-R1082 WeakPolarHBondContact O-CB 3.29Å; V1078-R1082 PolarHBondContact O-N 3.48Å; E1080-R1082 VanDerWaalsContact C-N 3.33Å; E1080-R1082 PolarHBondContact O-N 3.28Å; R1082-K1086 VanDerWaalsContact O-CB 3.24Å; R1082-K1086 WeakPolarHBondContact O-CB 3.43Å; R1082-K1086 PolarHBondContact O-N 3.32Å
1083	S	88.8	Confident	86.2	Confident	60 Å²	60	65.5 Å²	65.5	42%	0.42	30%	0.303	S	S	.	.	H	α-helix	trans	-63	-54.4	176.6	-160.6	0	0	0	0	110.1	R1079 E1080 V1081 L1085 K1086 D1087	R1079-S1083 PolarHBondContact O-N 3.44Å; R1079-S1083 VanDerWaalsContact O-N 3.1Å; E1080-S1083 PolarHBondContact O-N 3Å; V1081-S1083 VanDerWaalsContact C-N 3.32Å; V1081-S1083 PolarHBondContact O-N 3.36Å; S1083-L1085 VanDerWaalsContact C-N 3.32Å; S1083-L1085 PolarHBondContact O-N 3.46Å; S1083-K1086 CarbonylContact O-C 3.16Å; S1083-K1086 WeakPolarHBondContact O-CA 3.41Å; S1083-K1086 VanDerWaalsContact O-CB 3.27Å; S1083-K1086 WeakPolarHBondContact O-CB 3.26Å; S1083-K1086 PolarHBondContact O-N 3.33Å; S1083-D1087 VanDerWaalsContact C-OD2 3.29Å; S1083-D1087 PolarHBondContact O-N 3.29Å; S1083-D1087 PolarHBondContact OG-OD2 3.15Å
1084	Q	85.6	Confident	86.3	Confident	74 Å²	74	61.2 Å²	61.2	35%	0.346	29%	0.285	S	S	.	.	H	α-helix	trans	-60.3	-40.1	-176.2	-67.3	168.9	21	0	0	112.6	F648 E1080 V1081 D1087 I1088	F648-Q1084 PolarHBondContact O-NE2 3.06Å; E1080-Q1084 PolarHBondContact O-N 3.1Å; E1080-Q1084 VanDerWaalsContact O-N 3.14Å; V1081-Q1084 PolarHBondContact O-N 3.21Å; Q1084-D1087 PolarHBondContact O-N 3.16Å; Q1084-I1088 VanDerWaalsContact O-CG1 3.3Å; Q1084-I1088 WeakPolarHBondContact O-CG1 3.19Å; Q1084-I1088 PolarHBondContact O-N 3.09Å
1085	L	88.1	Confident	86.2	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-42.4	173.3	-69.9	177.2	0	0	0	112	F986 P987 L988 L996 L1009 V1012 V1081 S1083 D1087 I1088 M1089	F986-L1085 HydrophobicContact CD1-CD2 4.07Å; P987-L1085 HydrophobicContact CG-CD2 4.06Å; L988-L1085 HydrophobicContact CD1-CD1 4.11Å; L988-L1085 HydrophobicContact CD1-CD2 3.76Å; L988-L1085 HydrophobicContact CD2-CD1 4.44Å; L988-L1085 HydrophobicContact CD2-CD2 4.46Å; L988-L1085 HydrophobicContact CG-CD2 4.07Å; L996-L1085 HydrophobicContact CD1-CD2 4.37Å; L1009-L1085 HydrophobicContact CD1-CB 3.49Å; L1009-L1085 VanDerWaalsContact CD1-CB 3.49Å; L1009-L1085 HydrophobicContact CD1-CD1 4.22Å; V1012-L1085 HydrophobicContact CG1-CD1 3.85Å; V1081-L1085 HydrophobicContact CG1-CD1 3.75Å; V1081-L1085 HydrophobicContact CG1-CG 4.26Å; V1081-L1085 WeakPolarHBondContact O-CB 3.3Å; V1081-L1085 WeakPolarHBondContact O-CG 3.2Å; V1081-L1085 PolarHBondContact O-N 3.16Å; S1083-L1085 VanDerWaalsContact C-N 3.32Å; S1083-L1085 PolarHBondContact O-N 3.46Å; L1085-D1087 VanDerWaalsContact C-N 3.3Å; L1085-D1087 PolarHBondContact O-N 3.31Å; L1085-I1088 PolarHBondContact O-N 3.04Å; L1085-M1089 VanDerWaalsContact O-CG 3.28Å; L1085-M1089 WeakPolarHBondContact O-CG 3.5Å; L1085-M1089 PolarHBondContact O-N 2.9Å
1086	K	90	Very high	86.1	Confident	97 Å²	97	69.3 Å²	69.3	42%	0.422	33%	0.327	S	S	.	.	H	α-helix	trans	-58.5	-43.5	173.7	-168.6	-155.6	171.9	-159	0	111.4	L1009 R1082 S1083 I1088 M1089 V1090 L1096	L1009-K1086 HydrophobicContact CD2-CB 3.98Å; L1009-K1086 HydrophobicContact CD2-CG 4.26Å; R1082-K1086 VanDerWaalsContact O-CB 3.24Å; R1082-K1086 WeakPolarHBondContact O-CB 3.43Å; R1082-K1086 PolarHBondContact O-N 3.32Å; S1083-K1086 CarbonylContact O-C 3.16Å; S1083-K1086 WeakPolarHBondContact O-CA 3.41Å; S1083-K1086 VanDerWaalsContact O-CB 3.27Å; S1083-K1086 WeakPolarHBondContact O-CB 3.26Å; S1083-K1086 PolarHBondContact O-N 3.33Å; K1086-I1088 VanDerWaalsContact C-N 3.35Å; K1086-M1089 PolarHBondContact O-N 3.04Å; K1086-V1090 WeakPolarHBondContact O-CG2 3.36Å; K1086-V1090 PolarHBondContact O-N 3.26Å; K1086-L1096 HydrophobicContact CD-CD1 4.2Å; K1086-L1096 HydrophobicContact CG-CD1 3.51Å
1087	D	88.5	Confident	86	Confident	72 Å²	72	68.7 Å²	68.7	39%	0.385	33%	0.33	S	S	.	.	H	α-helix	trans	-67.5	-37.5	-176.7	-59.2	-35.4	0	0	0	110.5	S1083 Q1084 L1085 V1090 Q1091	S1083-D1087 VanDerWaalsContact C-OD2 3.29Å; S1083-D1087 PolarHBondContact O-N 3.29Å; S1083-D1087 PolarHBondContact OG-OD2 3.15Å; Q1084-D1087 PolarHBondContact O-N 3.16Å; L1085-D1087 VanDerWaalsContact C-N 3.3Å; L1085-D1087 PolarHBondContact O-N 3.31Å; D1087-V1090 PolarHBondContact O-N 3.33Å; D1087-Q1091 VanDerWaalsContact O-CG 3.27Å; D1087-Q1091 WeakPolarHBondContact O-CG 3.5Å; D1087-Q1091 PolarHBondContact O-N 2.93Å
1088	I	86.5	Confident	85.8	Confident	20 Å²	20	67.9 Å²	67.9	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-44.5	169.5	-63.9	164.2	0	0	0	111.3	F986 P987 Q1084 L1085 K1086 V1090 Q1091 Q1092	F986-I1088 HydrophobicContact CD1-CG2 3.95Å; F986-I1088 HydrophobicContact CE1-CB 4.1Å; F986-I1088 HydrophobicContact CE1-CG2 3.51Å; F986-I1088 HydrophobicContact CZ-CG2 3.99Å; P987-I1088 HydrophobicContact CG-CD1 4.31Å; Q1084-I1088 VanDerWaalsContact O-CG1 3.3Å; Q1084-I1088 WeakPolarHBondContact O-CG1 3.19Å; Q1084-I1088 PolarHBondContact O-N 3.09Å; L1085-I1088 PolarHBondContact O-N 3.04Å; K1086-I1088 VanDerWaalsContact C-N 3.35Å; I1088-V1090 VanDerWaalsContact C-N 3.28Å; I1088-V1090 PolarHBondContact O-N 3.42Å; I1088-Q1091 WeakPolarHBondContact O-CB 3.42Å; I1088-Q1091 PolarHBondContact O-N 3.31Å; I1088-Q1092 HydrophobicContact CG2-CG 4.37Å; I1088-Q1092 WeakPolarHBondContact O-CG 3.38Å; I1088-Q1092 PolarHBondContact O-N 2.7Å
1089	M	87.5	Confident	84.8	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.7	-38.7	176.9	-68.6	175.7	82.3	0	0	112	F986 L996 L1009 L1085 K1086 Q1092 K1093 M1094 L1096	F986-M1089 HydrophobicContact CE1-CG 3.92Å; F986-M1089 HydrophobicContact CZ-CG 4Å; L996-M1089 HydrophobicContact CD2-SD 4.26Å; L1009-M1089 HydrophobicContact CD1-SD 3.95Å; L1009-M1089 HydrophobicContact CD2-SD 4.08Å; L1009-M1089 HydrophobicContact CG-SD 4.4Å; L1085-M1089 VanDerWaalsContact O-CG 3.28Å; L1085-M1089 WeakPolarHBondContact O-CG 3.5Å; L1085-M1089 PolarHBondContact O-N 2.9Å; K1086-M1089 PolarHBondContact O-N 3.04Å; M1089-Q1092 CarbonylContact O-C 3.58Å; M1089-Q1092 PolarHBondContact O-N 2.68Å; M1089-K1093 PolarHBondContact O-N 3.21Å; M1089-M1094 HydrophobicContact CB-CE 4.14Å; M1089-M1094 HydrophobicContact CE-CE 3.91Å; M1089-M1094 HydrophobicContact CG-CE 3.7Å; M1089-M1094 PolarHBondContact O-N 3.35Å; M1089-L1096 HydrophobicContact CE-CD2 3.78Å; M1089-L1096 HydrophobicContact SD-CD2 3.94Å
1090	V	88.1	Confident	84	Confident	84 Å²	84	66.7 Å²	66.7	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-68.6	-40.9	175.2	171	0	0	0	0	111.6	K1086 D1087 I1088 Q1092 K1093 L1096	K1086-V1090 WeakPolarHBondContact O-CG2 3.36Å; K1086-V1090 PolarHBondContact O-N 3.26Å; D1087-V1090 PolarHBondContact O-N 3.33Å; I1088-V1090 VanDerWaalsContact C-N 3.28Å; I1088-V1090 PolarHBondContact O-N 3.42Å; V1090-Q1092 VanDerWaalsContact C-N 3.32Å; V1090-Q1092 PolarHBondContact O-N 2.92Å; V1090-K1093 PolarHBondContact O-N 3.35Å; V1090-L1096 HydrophobicContact CG2-CD1 4.1Å
1091	Q	86.9	Confident	83.2	Confident	127 Å²	127	67 Å²	67	59%	0.593	37%	0.368	S	S	*	.	H	α-helix	trans	-60	-41.7	173.5	-73.5	167.1	6.6	0	0	111.8	D1087 I1088 K1093	D1087-Q1091 VanDerWaalsContact O-CG 3.27Å; D1087-Q1091 WeakPolarHBondContact O-CG 3.5Å; D1087-Q1091 PolarHBondContact O-N 2.93Å; I1088-Q1091 WeakPolarHBondContact O-CB 3.42Å; I1088-Q1091 PolarHBondContact O-N 3.31Å; Q1091-K1093 PolarHBondContact O-N 3.06Å
1092	Q	83.6	Confident	82.9	Confident	64 Å²	64	70.9 Å²	70.9	30%	0.299	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	9.6	175.2	-59.3	-60.7	-17.7	0	0	113.7	I1088 M1089 V1090 M1094	I1088-Q1092 HydrophobicContact CG2-CG 4.37Å; I1088-Q1092 WeakPolarHBondContact O-CG 3.38Å; I1088-Q1092 PolarHBondContact O-N 2.7Å; M1089-Q1092 CarbonylContact O-C 3.58Å; M1089-Q1092 PolarHBondContact O-N 2.68Å; V1090-Q1092 VanDerWaalsContact C-N 3.32Å; V1090-Q1092 PolarHBondContact O-N 2.92Å; Q1092-M1094 HydrophobicContact CB-CG 4.33Å; Q1092-M1094 PolarHBondContact O-N 2.97Å
1093	K	85.2	Confident	82.6	Confident	188 Å²	188	73.6 Å²	73.6	82%	0.817	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	28.6	176.6	-54.7	179.2	-177.2	174.8	0	115	M1089 V1090 Q1091	M1089-K1093 PolarHBondContact O-N 3.21Å; V1090-K1093 PolarHBondContact O-N 3.35Å; Q1091-K1093 PolarHBondContact O-N 3.06Å
1094	M	82.2	Confident	82.5	Confident	28 Å²	28	73.3 Å²	73.3	14%	0.138	39%	0.393	C	S	.	.			trans	-84.9	131.8	178.6	-59	-160.5	-52.5	0	0	111.2	F986 M1089 Q1092	F986-M1094 HydrophobicContact CE2-CE 4.06Å; F986-M1094 HydrophobicContact CZ-CE 3.6Å; M1089-M1094 HydrophobicContact CB-CE 4.14Å; M1089-M1094 HydrophobicContact CE-CE 3.91Å; M1089-M1094 HydrophobicContact CG-CE 3.7Å; M1089-M1094 PolarHBondContact O-N 3.35Å; Q1092-M1094 HydrophobicContact CB-CG 4.33Å; Q1092-M1094 PolarHBondContact O-N 2.97Å
1095	N	81.2	Confident	82.6	Confident	121 Å²	121	71.1 Å²	71.1	65%	0.647	38%	0.383	S	S	*	.			trans	-72.7	132	-176.3	-72.8	-27.6	0	0	0	111.5	S1005	S1005-N1095 PolarHBondContact OG-O 3.28Å
1096	L	81.4	Confident	82.7	Confident	62 Å²	62	71.1 Å²	71.1	33%	0.325	38%	0.383	S	S	.	.			trans	-98.3	89.2	179.4	-69	170	0	0	0	110.8	S1005 L1009 K1086 M1089 V1090	S1005-L1096 WeakPolarHBondContact OG-CA 3.46Å; L1009-L1096 HydrophobicContact CD2-CD2 4.19Å; K1086-L1096 HydrophobicContact CD-CD1 4.2Å; K1086-L1096 HydrophobicContact CG-CD1 3.51Å; M1089-L1096 HydrophobicContact CE-CD2 3.78Å; M1089-L1096 HydrophobicContact SD-CD2 3.94Å; V1090-L1096 HydrophobicContact CG2-CD1 4.1Å
1097	M	83.8	Confident	82.6	Confident	103 Å²	103	67.2 Å²	67.2	51%	0.507	37%	0.366	S	S	.	.			trans	-107.5	155.9	173.6	-61.3	-169.6	-58	0	0	111.3	G1003 C1004 S1005 A1006	G1003-M1097 CarbonylContact O-C 3.5Å; G1003-M1097 WeakPolarHBondContact O-CB 3.48Å; G1003-M1097 VanDerWaalsContact O-O 3.12Å; C1004-M1097 CarbonylContact C-O 3.59Å; S1005-M1097 PolarHBondContact N-O 3.15Å; S1005-M1097 PolarHBondContact OG-N 3.21Å; S1005-M1097 PolarHBondContact OG-O 3Å; A1006-M1097 WeakPolarHBondContact CB-O 3.39Å; A1006-M1097 PolarHBondContact N-O 3.48Å
1098	S	77.4	Confident	82.7	Confident	75 Å²	75	64.9 Å²	64.9	52%	0.524	35%	0.352	S	S	.	.			trans	-126.3	135	-178.4	179	0	0	0	0	108.8	D1007	D1007-S1098 WeakPolarHBondContact OD2-CA 3.49Å; D1007-S1098 VanDerWaalsContact OD2-CB 3.27Å; D1007-S1098 WeakPolarHBondContact OD2-CB 3.21Å; D1007-S1098 PolarHBondContact OD2-OG 3.21Å
1099	C	67.6	Low	82.9	Confident	23 Å²	23	64 Å²	64	16%	0.155	35%	0.348	C	S	.	.			trans	-95.6	114.5	175.4	-67.8	0	0	0	0	108.4	C1004 I1105	C1004-C1099 HydrophobicContact CB-CB 4.17Å; C1099-I1105 HydrophobicContact CB-CB 4.39Å; C1099-I1105 HydrophobicContact CB-CD1 4.32Å
1100	G	71.4	Confident	83	Confident	74 Å²	74	64 Å²	64	76%	0.763	35%	0.348	S	S	*	.	S	Bend	trans	-64.7	-60.9	-161.3	0	0	0	0	0	115.6
1101	S	67.3	Low	83	Confident	82 Å²	82	60 Å²	60	57%	0.573	32%	0.323	S	S	*	.	S	Bend	trans	-109.5	-10.9	-177.8	43.5	0	0	0	0	113.8	W1103	S1101-W1103 VanDerWaalsContact C-N 3.33Å; S1101-W1103 VanDerWaalsContact O-CD1 3.24Å; S1101-W1103 PolarHBondContact O-N 3.16Å
1102	D	80.1	Confident	83	Confident	81 Å²	81	54.3 Å²	54.3	43%	0.433	30%	0.298	S	S	.	.			trans	-95.2	71.5	-156.2	-52.5	-21	0	0	0	109.4	D1104 I1105	D1102-D1104 PolarHBondContact O-N 3.32Å; D1102-I1105 HydrophobicContact CB-CD1 3.78Å; D1102-I1105 HydrophobicContact CB-CG1 3.9Å; D1102-I1105 WeakPolarHBondContact O-CB 3.5Å; D1102-I1105 PolarHBondContact O-N 3.44Å
1103	W	82.9	Confident	83.1	Confident	109 Å²	109	51.2 Å²	51.2	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-48.9	-32.4	178.7	-59.5	117.3	0	0	0	113.2	L1046 L1049 S1101 I1105 I1106 R1107	L1046-W1103 HydrophobicContact CB-CE3 4.49Å; L1046-W1103 HydrophobicContact CD1-CB 3.75Å; L1046-W1103 HydrophobicContact CD1-CD2 4.09Å; L1046-W1103 HydrophobicContact CD1-CE3 3.79Å; L1046-W1103 HydrophobicContact CD1-CG 4.11Å; L1046-W1103 HydrophobicContact CD2-CE3 3.61Å; L1046-W1103 HydrophobicContact CD2-CZ3 4.03Å; L1046-W1103 HydrophobicContact CG-CE3 4.16Å; L1049-W1103 HydrophobicContact CD2-CZ3 3.88Å; L1049-W1103 HydrophobicContact CG-CZ3 4.44Å; S1101-W1103 VanDerWaalsContact C-N 3.33Å; S1101-W1103 VanDerWaalsContact O-CD1 3.24Å; S1101-W1103 PolarHBondContact O-N 3.16Å; W1103-I1105 VanDerWaalsContact C-N 3.34Å; W1103-I1105 PolarHBondContact O-N 3.49Å; W1103-I1106 HydrophobicContact CE3-CD1 4.12Å; W1103-I1106 HydrophobicContact CZ3-CD1 4.39Å; W1103-I1106 WeakPolarHBondContact O-CB 3.39Å; W1103-I1106 PolarHBondContact O-N 3.43Å; W1103-R1107 WeakPolarHBondContact O-CG 3.33Å; W1103-R1107 PolarHBondContact O-N 2.97Å
1104	D	87.1	Confident	83.3	Confident	55 Å²	55	42.6 Å²	42.6	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-55.7	-41.9	172.9	-81.6	-32	0	0	0	113.4	R191 L192 D1102 I1106 R1107 K1108	R191-D1104 IonicContact CZ-OD1 2.79Å; R191-D1104 IonicContact NH1-OD1 3.81Å; R191-D1104 PolarHBondContact NH1-OD1 3.33Å; L192-D1104 HydrophobicContact CD1-CB 3.48Å; L192-D1104 VanDerWaalsContact CD1-CB 3.48Å; L192-D1104 VanDerWaalsContact CD1-O 3.31Å; L192-D1104 WeakPolarHBondContact CD1-O 3.42Å; D1102-D1104 PolarHBondContact O-N 3.32Å; D1104-I1106 VanDerWaalsContact C-N 3.31Å; D1104-I1106 PolarHBondContact O-N 2.99Å; D1104-R1107 PolarHBondContact O-N 3.27Å; D1104-R1107 IonicContact OD1-CZ 3.25Å; D1104-R1107 VanDerWaalsContact OD1-CZ 3.25Å; D1104-R1107 IonicContact OD1-NE 3.29Å; D1104-R1107 PolarHBondContact OD1-NE 3.16Å; D1104-R1107 IonicContact OD1-NH2 2.69Å; D1104-R1107 PolarHBondContact OD1-NH2 3.01Å; D1104-K1108 WeakPolarHBondContact O-CG 3.21Å; D1104-K1108 PolarHBondContact O-N 2.82Å
1105	I	88.3	Confident	83.4	Confident	27 Å²	27	42 Å²	42	14%	0.138	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-39.3	176.4	-53.8	-178.4	0	0	0	111	M1002 C1004 C1099 D1102 W1103 K1108 C1109	M1002-I1105 HydrophobicContact CB-CG2 4.37Å; M1002-I1105 WeakPolarHBondContact O-CG2 3.19Å; C1004-I1105 HydrophobicContact CB-CG2 4.02Å; C1099-I1105 HydrophobicContact CB-CB 4.39Å; C1099-I1105 HydrophobicContact CB-CD1 4.32Å; D1102-I1105 HydrophobicContact CB-CD1 3.78Å; D1102-I1105 HydrophobicContact CB-CG1 3.9Å; D1102-I1105 WeakPolarHBondContact O-CB 3.5Å; D1102-I1105 PolarHBondContact O-N 3.44Å; W1103-I1105 VanDerWaalsContact C-N 3.34Å; W1103-I1105 PolarHBondContact O-N 3.49Å; I1105-K1108 WeakPolarHBondContact O-CB 3.33Å; I1105-K1108 WeakPolarHBondContact O-CG 3.16Å; I1105-K1108 PolarHBondContact O-N 3.19Å; I1105-C1109 PolarHBondContact O-N 2.82Å
1106	I	89	Confident	83.5	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-68.9	-41.9	177.6	-58.1	178.5	0	0	0	110.2	C1004 D1007 I1008 I1011 L1046 L1049 W1103 D1104 K1108 C1109 I1110	C1004-I1106 HydrophobicContact CB-CG1 4.16Å; D1007-I1106 HydrophobicContact CB-CD1 3.96Å; I1008-I1106 HydrophobicContact CD1-CG2 3.73Å; I1008-I1106 HydrophobicContact CG1-CG2 4.42Å; I1011-I1106 HydrophobicContact CD1-CG2 3.56Å; L1046-I1106 HydrophobicContact CD2-CB 4.12Å; L1046-I1106 HydrophobicContact CD2-CD1 4.31Å; L1046-I1106 HydrophobicContact CD2-CG2 3.65Å; L1049-I1106 HydrophobicContact CD2-CD1 3.72Å; W1103-I1106 HydrophobicContact CE3-CD1 4.12Å; W1103-I1106 HydrophobicContact CZ3-CD1 4.39Å; W1103-I1106 WeakPolarHBondContact O-CB 3.39Å; W1103-I1106 PolarHBondContact O-N 3.43Å; D1104-I1106 VanDerWaalsContact C-N 3.31Å; D1104-I1106 PolarHBondContact O-N 2.99Å; I1106-K1108 PolarHBondContact O-N 3.29Å; I1106-C1109 PolarHBondContact O-N 3Å; I1106-I1110 HydrophobicContact CG2-CD1 4.25Å; I1106-I1110 WeakPolarHBondContact O-CG1 3.41Å; I1106-I1110 PolarHBondContact O-N 3.02Å; I1106-I1110 VanDerWaalsContact O-N 3.09Å
1107	R	89.8	Confident	83.8	Confident	14 Å²	14	35.8 Å²	35.8	5%	0.053	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-32.7	174.4	-68	-171.1	-75.9	-173.6	-12.6	111.9	R191 E1042 L1046 W1103 D1104 T1171	R191-R1107 VanDerWaalsContact CD-C 3.48Å; R191-R1107 VanDerWaalsContact CZ-CB 3.46Å; R191-R1107 VanDerWaalsContact NH2-CD 3.34Å; R191-R1107 VanDerWaalsContact NH2-NE 3.14Å; E1042-R1107 VanDerWaalsContact CD-CZ 3.45Å; E1042-R1107 VanDerWaalsContact CD-NH2 3.29Å; E1042-R1107 IonicContact OE1-CZ 2.72Å; E1042-R1107 IonicContact OE1-NH1 3.23Å; E1042-R1107 PolarHBondContact OE1-NH1 2.93Å; E1042-R1107 IonicContact OE1-NH2 3.02Å; E1042-R1107 PolarHBondContact OE1-NH2 3.29Å; E1042-R1107 IonicContact OE2-CZ 3.06Å; E1042-R1107 IonicContact OE2-NH1 2.97Å; E1042-R1107 PolarHBondContact OE2-NH1 3.39Å; E1042-R1107 IonicContact OE2-NH2 2.8Å; E1042-R1107 PolarHBondContact OE2-NH2 3.14Å; E1042-R1107 VanDerWaalsContact OE2-NH2 3.17Å; L1046-R1107 HydrophobicContact CD1-CG 4.33Å; W1103-R1107 WeakPolarHBondContact O-CG 3.33Å; W1103-R1107 PolarHBondContact O-N 2.97Å; D1104-R1107 PolarHBondContact O-N 3.27Å; D1104-R1107 IonicContact OD1-CZ 3.25Å; D1104-R1107 VanDerWaalsContact OD1-CZ 3.25Å; D1104-R1107 IonicContact OD1-NE 3.29Å; D1104-R1107 PolarHBondContact OD1-NE 3.16Å; D1104-R1107 IonicContact OD1-NH2 2.69Å; D1104-R1107 PolarHBondContact OD1-NH2 3.01Å; R1107-T1171 HydrophobicContact CB-CG2 4.45Å; R1107-T1171 HydrophobicContact CG-CG2 3.94Å
1108	K	89.3	Confident	84	Confident	24 Å²	24	30.9 Å²	30.9	10%	0.104	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-53.5	169.8	-24.8	-175.5	-170.3	-161.4	0	114.6	R191 L192 E193 M1002 D1104 I1105 I1106 I1110 C1111 A1112	R191-K1108 HydrophobicContact CB-CB 3.52Å; R191-K1108 HydrophobicContact CB-CG 3.82Å; R191-K1108 WeakPolarHBondContact O-CD 3.24Å; L192-K1108 HydrophobicContact CB-CD 3.63Å; L192-K1108 HydrophobicContact CB-CG 3.6Å; L192-K1108 HydrophobicContact CD1-CG 3.99Å; L192-K1108 HydrophobicContact CG-CG 4.49Å; L192-K1108 PolarHBondContact O-NZ 3.24Å; E193-K1108 WeakPolarHBondContact OE2-CE 3.21Å; E193-K1108 IonicContact OE2-NZ 3.58Å; E193-K1108 PolarHBondContact OE2-NZ 2.83Å; M1002-K1108 HydrophobicContact CE-CB 3.91Å; M1002-K1108 HydrophobicContact CE-CD 4.37Å; M1002-K1108 HydrophobicContact SD-CB 3.55Å; M1002-K1108 VanDerWaalsContact SD-CB 3.55Å; M1002-K1108 HydrophobicContact SD-CD 4.16Å; M1002-K1108 HydrophobicContact SD-CG 4.41Å; D1104-K1108 WeakPolarHBondContact O-CG 3.21Å; D1104-K1108 PolarHBondContact O-N 2.82Å; I1105-K1108 WeakPolarHBondContact O-CB 3.33Å; I1105-K1108 WeakPolarHBondContact O-CG 3.16Å; I1105-K1108 PolarHBondContact O-N 3.19Å; I1106-K1108 PolarHBondContact O-N 3.29Å; K1108-I1110 PolarHBondContact O-N 2.9Å; K1108-C1111 PolarHBondContact O-N 3.09Å; K1108-A1112 PolarHBondContact O-N 2.94Å
1109	C	90	Very high	84.6	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-33.5	-172.7	-178.4	0	0	0	0	110.7	M995 S999 M1002 C1004 I1008 I1105 I1106 C1111	M995-C1109 WeakPolarHBondContact CG-O 3.34Å; M995-C1109 PolarHBondContact O-SG 2.62Å; S999-C1109 WeakPolarHBondContact CA-SG 2.99Å; S999-C1109 WeakPolarHBondContact CB-SG 3.29Å; S999-C1109 PolarHBondContact N-SG 3.16Å; M1002-C1109 HydrophobicContact SD-CB 4.05Å; C1004-C1109 WeakPolarHBondContact SG-CB 3.4Å; I1008-C1109 HydrophobicContact CD1-CB 3.65Å; I1008-C1109 HydrophobicContact CG1-CB 3.78Å; I1105-C1109 PolarHBondContact O-N 2.82Å; I1106-C1109 PolarHBondContact O-N 3Å; C1109-C1111 PolarHBondContact O-N 2.92Å
1110	I	90.2	Very high	85.6	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-52.3	-38.4	173.1	-68.3	165.6	0	0	0	111.1	M995 I1008 I1011 H1045 I1106 K1108 Y1114 I1155	M995-I1110 VanDerWaalsContact SD-CA 3.58Å; M995-I1110 HydrophobicContact SD-CB 4.24Å; M995-I1110 HydrophobicContact SD-CG1 4.22Å; M995-I1110 HydrophobicContact SD-CG2 4.27Å; I1008-I1110 HydrophobicContact CD1-CG1 3.94Å; I1011-I1110 HydrophobicContact CD1-CD1 4.41Å; H1045-I1110 HydrophobicContact CB-CD1 3.56Å; I1106-I1110 HydrophobicContact CG2-CD1 4.25Å; I1106-I1110 WeakPolarHBondContact O-CG1 3.41Å; I1106-I1110 PolarHBondContact O-N 3.02Å; I1106-I1110 VanDerWaalsContact O-N 3.09Å; K1108-I1110 PolarHBondContact O-N 2.9Å; I1110-Y1114 HydrophobicContact CG2-CD2 4.31Å; I1110-Y1114 WeakPolarHBondContact O-CB 3.48Å; I1110-Y1114 VanDerWaalsContact O-CD2 3.26Å; I1110-Y1114 WeakPolarHBondContact O-CD2 3.34Å; I1110-Y1114 PolarHBondContact O-N 2.84Å; I1110-I1155 HydrophobicContact CB-CD1 4.38Å; I1110-I1155 HydrophobicContact CG2-CD1 3.61Å
1111	C	89.1	Confident	86.4	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-121.4	-7.3	-163.7	-136.4	0	0	0	0	117.6	S189 E190 K1108 C1109 A1113 Y1114 F1115 I1155	S189-C1111 WeakPolarHBondContact CA-SG 3.48Å; S189-C1111 WeakPolarHBondContact CB-SG 3.32Å; S189-C1111 PolarHBondContact N-SG 3.4Å; E190-C1111 PolarHBondContact N-SG 3.18Å; E190-C1111 CarbonylContact O-C 3.6Å; E190-C1111 WeakPolarHBondContact O-CA 3.14Å; E190-C1111 WeakPolarHBondContact O-CB 3.47Å; E190-C1111 WeakPolarHBondContact OE2-CB 3.02Å; K1108-C1111 PolarHBondContact O-N 3.09Å; C1109-C1111 PolarHBondContact O-N 2.92Å; C1111-A1113 PolarHBondContact O-N 3.24Å; C1111-A1113 VanDerWaalsContact O-N 3.15Å; C1111-Y1114 CarbonylContact O-C 3.6Å; C1111-Y1114 PolarHBondContact O-N 3.44Å; C1111-Y1114 PolarHBondContact SG-O 3.1Å; C1111-Y1114 VanDerWaalsContact SG-O 3.37Å; C1111-F1115 WeakPolarHBondContact O-CA 3.4Å; C1111-F1115 VanDerWaalsContact O-CB 3.28Å; C1111-F1115 WeakPolarHBondContact O-CB 3.09Å; C1111-F1115 PolarHBondContact O-N 3.5Å; C1111-I1155 HydrophobicContact CB-CD1 3.53Å; C1111-I1155 HydrophobicContact CB-CG1 4.31Å; C1111-I1155 WeakPolarHBondContact SG-CD1 3.33Å; C1111-I1155 WeakPolarHBondContact SG-CG2 3.49Å
1112	A	86.4	Confident	87.2	Confident	8 Å²	8	29.9 Å²	29.9	7%	0.066	14%	0.138	C	C	.	.	H	α-helix	trans	-48.5	-32.7	146.5	0	0	0	0	0	111.7	E190 K994 V998 M1002 K1108 L1181	E190-A1112 PolarHBondContact O-N 3.35Å; E190-A1112 VanDerWaalsContact O-N 3.09Å; K994-A1112 WeakPolarHBondContact CE-O 3.49Å; K994-A1112 PolarHBondContact NZ-O 3.28Å; V998-A1112 HydrophobicContact CB-CB 4.17Å; V998-A1112 HydrophobicContact CG1-CB 3.64Å; V998-A1112 HydrophobicContact CG2-CB 4.19Å; M1002-A1112 HydrophobicContact CE-CB 4.26Å; K1108-A1112 PolarHBondContact O-N 2.94Å; A1112-L1181 HydrophobicContact CB-CD1 3.54Å
1113	A	86.1	Confident	87.1	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-87.1	-57.5	175.7	0	0	0	0	0	113.2	L967 A991 K994 M995 C1111 F1115	L967-A1113 WeakPolarHBondContact CD2-O 3.3Å; A991-A1113 WeakPolarHBondContact O-CB 3.41Å; K994-A1113 HydrophobicContact CB-CB 4.2Å; K994-A1113 HydrophobicContact CG-CB 4.22Å; M995-A1113 HydrophobicContact CB-CB 3.56Å; M995-A1113 HydrophobicContact CG-CB 3.85Å; M995-A1113 HydrophobicContact SD-CB 4.5Å; C1111-A1113 PolarHBondContact O-N 3.24Å; C1111-A1113 VanDerWaalsContact O-N 3.15Å; A1113-F1115 PolarHBondContact O-N 3.09Å
1114	Y	88.3	Confident	86.8	Confident	7 Å²	7	30.8 Å²	30.8	3%	0.027	16%	0.157	C	C	.	.			trans	-77.6	25.7	179.7	-78	-72.8	0	0	0	114.5	R188 S189 A991 L992 M995 I1110 C1111 H1116 Q1117 H1157	R188-Y1114 CarbonylContact C-O 3.57Å; S189-Y1114 PolarHBondContact N-O 3.28Å; A991-Y1114 HydrophobicContact CB-CD1 4.25Å; A991-Y1114 HydrophobicContact CB-CE1 3.68Å; A991-Y1114 HydrophobicContact CB-CE2 4.45Å; L992-Y1114 HydrophobicContact CD2-CE2 4.16Å; L992-Y1114 VanDerWaalsContact CD2-OH 3.29Å; L992-Y1114 WeakPolarHBondContact CD2-OH 3.37Å; L992-Y1114 WeakPolarHBondContact CG-OH 3.48Å; M995-Y1114 HydrophobicContact CE-CE2 4.47Å; M995-Y1114 HydrophobicContact SD-CD2 3.89Å; M995-Y1114 HydrophobicContact SD-CE2 3.74Å; I1110-Y1114 HydrophobicContact CG2-CD2 4.31Å; I1110-Y1114 WeakPolarHBondContact O-CB 3.48Å; I1110-Y1114 VanDerWaalsContact O-CD2 3.26Å; I1110-Y1114 WeakPolarHBondContact O-CD2 3.34Å; I1110-Y1114 PolarHBondContact O-N 2.84Å; C1111-Y1114 CarbonylContact O-C 3.6Å; C1111-Y1114 PolarHBondContact O-N 3.44Å; C1111-Y1114 PolarHBondContact SG-O 3.1Å; C1111-Y1114 VanDerWaalsContact SG-O 3.37Å; Y1114-H1116 PolarHBondContact O-N 3.06Å; Y1114-Q1117 HydrophobicContact CD1-CB 4Å; Y1114-Q1117 HydrophobicContact CD1-CG 3.77Å; Y1114-Q1117 HydrophobicContact CE1-CG 4.43Å; Y1114-Q1117 PolarHBondContact O-N 3.38Å; Y1114-H1157 AromaticContact CE1-ND1 3.86Å; Y1114-H1157 AromaticContact CE2-ND1 3.96Å; Y1114-H1157 AromaticContact CZ-CE1 4Å; Y1114-H1157 AromaticContact CZ-ND1 3.33Å; Y1114-H1157 VanDerWaalsContact CZ-ND1 3.33Å; Y1114-H1157 PolarHBondContact OH-CE1 2.66Å; Y1114-H1157 PolarHBondContact OH-ND1 3.3Å
1115	F	85.5	Confident	86.1	Confident	14 Å²	14	29.9 Å²	29.9	6%	0.061	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-4.6	-175.4	86.2	-117.1	0	0	0	115.1	R188 S189 I966 C1111 A1113 F1185	R188-F1115 CarbonylContact C-O 3.59Å; R188-F1115 WeakPolarHBondContact CA-O 3.48Å; R188-F1115 PolarHBondContact N-O 2.88Å; R188-F1115 VanDerWaalsContact N-O 3.14Å; S189-F1115 PolarHBondContact N-O 3.22Å; S189-F1115 WeakPolarHBondContact O-CA 3.26Å; S189-F1115 VanDerWaalsContact O-CB 3.27Å; S189-F1115 WeakPolarHBondContact O-CB 3.45Å; I966-F1115 HydrophobicContact CB-CZ 4.47Å; I966-F1115 HydrophobicContact CG2-CD2 4.3Å; I966-F1115 HydrophobicContact CG2-CE1 4.33Å; I966-F1115 HydrophobicContact CG2-CE2 3.63Å; I966-F1115 HydrophobicContact CG2-CZ 3.66Å; I966-F1115 WeakPolarHBondContact O-CE1 3.48Å; I966-F1115 WeakPolarHBondContact O-CZ 3.46Å; C1111-F1115 WeakPolarHBondContact O-CA 3.4Å; C1111-F1115 VanDerWaalsContact O-CB 3.28Å; C1111-F1115 WeakPolarHBondContact O-CB 3.09Å; C1111-F1115 PolarHBondContact O-N 3.5Å; A1113-F1115 PolarHBondContact O-N 3.09Å; F1115-F1185 HydrophobicContact CD2-CD2 4.39Å; F1115-F1185 AromaticContact CE2-CD2 3.54Å; F1115-F1185 HydrophobicContact CE2-CD2 3.54Å; F1115-F1185 AromaticContact CE2-CE2 3.9Å; F1115-F1185 HydrophobicContact CE2-CE2 3.9Å; F1115-F1185 HydrophobicContact CE2-CG 4.41Å; F1115-F1185 HydrophobicContact CZ-CD2 4.38Å; F1115-F1185 HydrophobicContact CZ-CE2 4.5Å
1116	H	83.4	Confident	85.9	Confident	19 Å²	19	31.4 Å²	31.4	9%	0.088	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	21.8	-179.2	68.7	-78.7	0	0	0	115.1	S187 I966 Y1114	S187-H1116 CarbonylContact C-O 3.59Å; S187-H1116 WeakPolarHBondContact CB-O 3.25Å; S187-H1116 WeakPolarHBondContact O-CA 3.48Å; I966-H1116 HydrophobicContact CG2-CB 4.09Å; Y1114-H1116 PolarHBondContact O-N 3.06Å
1117	Q	87.1	Confident	85.9	Confident	34 Å²	34	31.3 Å²	31.3	16%	0.159	17%	0.166	C	C	.	.			trans	-126	52.9	178.1	-57.6	-147.2	28	0	0	119.8	S187 R188 Y1114 I1155 Y1156 H1157	S187-Q1117 VanDerWaalsContact CB-C 3.45Å; R188-Q1117 CarbonylContact O-C 3.51Å; R188-Q1117 WeakPolarHBondContact O-CA 3.42Å; R188-Q1117 PolarHBondContact O-N 3.33Å; Y1114-Q1117 HydrophobicContact CD1-CB 4Å; Y1114-Q1117 HydrophobicContact CD1-CG 3.77Å; Y1114-Q1117 HydrophobicContact CE1-CG 4.43Å; Y1114-Q1117 PolarHBondContact O-N 3.38Å; Q1117-I1155 CarbonylContact O-C 3.53Å; Q1117-Y1156 HydrophobicContact CB-CD2 3.86Å; Q1117-Y1156 HydrophobicContact CB-CE2 3.7Å; Q1117-Y1156 HydrophobicContact CB-CG 4.46Å; Q1117-Y1156 WeakPolarHBondContact CB-O 3.5Å; Q1117-Y1156 HydrophobicContact CG-CE2 4.15Å; Q1117-Y1156 VanDerWaalsContact O-CD1 3.27Å; Q1117-Y1156 WeakPolarHBondContact O-CD1 3.27Å; Q1117-Y1156 PolarHBondContact O-N 3.23Å; Q1117-H1157 PolarHBondContact OE1-O 3.1Å
1118	A	88.6	Confident	85.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-67.8	153.3	178.8	0	0	0	0	0	122.1	S187 R188 N1129 V1130 Y1156	S187-A1118 VanDerWaalsContact CA-CB 3.4Å; S187-A1118 WeakPolarHBondContact OG-CA 3.42Å; S187-A1118 WeakPolarHBondContact OG-CB 3.34Å; S187-A1118 PolarHBondContact OG-N 2.85Å; S187-A1118 PolarHBondContact OG-O 2.85Å; S187-A1118 VanDerWaalsContact OG-O 3.07Å; R188-A1118 VanDerWaalsContact CB-CA 3.45Å; R188-A1118 HydrophobicContact CB-CB 3.1Å; R188-A1118 HydrophobicContact CG-CB 3.32Å; R188-A1118 PolarHBondContact O-N 3.43Å; A1118-N1129 PolarHBondContact O-ND2 2.91Å; A1118-V1130 HydrophobicContact CB-CB 4.14Å; A1118-Y1156 WeakPolarHBondContact O-CE1 3.46Å
1119	A	89.4	Confident	85.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.			trans	-116.4	-153.9	139.4	0	0	0	0	0	111.5	R188 Y1127 V1128 V1130 I1154 M1167	R188-A1119 PolarHBondContact NE-O 3.21Å; R188-A1119 VanDerWaalsContact NE-O 3.14Å; R188-A1119 PolarHBondContact NH1-O 3.15Å; R188-A1119 PolarHBondContact NH2-O 3.44Å; A1119-Y1127 HydrophobicContact CB-CD1 3.78Å; A1119-Y1127 HydrophobicContact CB-CG 3.78Å; A1119-V1128 CarbonylContact C-O 3.53Å; A1119-V1130 WeakPolarHBondContact O-CG2 3.42Å; A1119-I1154 HydrophobicContact CB-CD1 3.5Å; A1119-I1154 VanDerWaalsContact CB-CD1 3.5Å; A1119-I1154 HydrophobicContact CB-CG1 3.38Å; A1119-I1154 PolarHBondContact N-O 3.09Å; A1119-M1167 HydrophobicContact CB-CE 3.82Å; A1119-M1167 HydrophobicContact CB-SD 3.35Å; A1119-M1167 WeakPolarHBondContact CB-SD 3.35Å
1120	K	88.8	Confident	85.4	Confident	60 Å²	60	32.4 Å²	32.4	26%	0.261	18%	0.176	S	C	.	.			trans	-167.8	133	153.1	175.6	174.1	174.5	176.2	0	107.8	K1122 Y1127 V1128 V1130	K1120-K1122 PolarHBondContact O-N 3.01Å; K1120-Y1127 CarbonylContact O-C 3.57Å; K1120-Y1127 WeakPolarHBondContact O-CA 3.34Å; K1120-Y1127 WeakPolarHBondContact O-CB 3.33Å; K1120-V1128 VanDerWaalsContact CB-O 3.27Å; K1120-V1128 WeakPolarHBondContact CB-O 3.27Å; K1120-V1128 PolarHBondContact N-O 3.42Å; K1120-V1128 PolarHBondContact O-N 2.99Å; K1120-V1130 HydrophobicContact CB-CG2 3.84Å
1121	L	88.3	Confident	84.8	Confident	33 Å²	33	34.8 Å²	34.8	17%	0.173	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	125.9	178.8	-166.3	66.6	0	0	0	110.3	G1123 Y1127 T1150 D1152	L1121-G1123 WeakPolarHBondContact CD1-O 3.24Å; L1121-Y1127 HydrophobicContact CB-CD1 4.15Å; L1121-Y1127 HydrophobicContact CB-CE1 4.02Å; L1121-Y1127 HydrophobicContact CD1-CD1 4.23Å; L1121-Y1127 HydrophobicContact CD1-CD2 4.46Å; L1121-Y1127 HydrophobicContact CD1-CE1 3.86Å; L1121-Y1127 HydrophobicContact CD1-CE2 4.11Å; L1121-T1150 WeakPolarHBondContact CD2-OG1 3.42Å; L1121-D1152 PolarHBondContact N-O 2.87Å
1122	K	84.6	Confident	84.3	Confident	140 Å²	140	37 Å²	37	61%	0.609	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	-31.6	177.9	176.3	-172.1	158.2	-145.6	0	111.3	K1120 E1126 V1128	K1120-K1122 PolarHBondContact O-N 3.01Å; K1122-E1126 PolarHBondContact N-O 2.87Å; K1122-E1126 VanDerWaalsContact N-O 3.16Å; K1122-E1126 IonicContact NZ-OE1 3.38Å; K1122-E1126 PolarHBondContact NZ-OE1 3.17Å; K1122-V1128 HydrophobicContact CB-CB 4.22Å; K1122-V1128 HydrophobicContact CB-CG2 4.38Å; K1122-V1128 HydrophobicContact CD-CB 3.86Å; K1122-V1128 HydrophobicContact CD-CG2 3.36Å; K1122-V1128 HydrophobicContact CG-CG2 4.5Å
1123	G	77.7	Confident	84	Confident	32 Å²	32	38.1 Å²	38.1	33%	0.33	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	175.8	171.5	0	0	0	0	0	110.8	L1121 G1125 E1126	L1121-G1123 WeakPolarHBondContact CD1-O 3.24Å; G1123-G1125 PolarHBondContact O-N 2.83Å; G1123-E1126 PolarHBondContact N-O 3.19Å; G1123-E1126 PolarHBondContact O-N 3.11Å
1124	I	76.6	Confident	83.8	Confident	178 Å²	178	39.1 Å²	39.1	91%	0.913	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	111.8	-178.1	-56.7	171.4	0	0	0	109.6	E1126	I1124-E1126 PolarHBondContact O-N 3.03Å
1125	G	71.4	Confident	83.7	Confident	36 Å²	36	41.4 Å²	41.4	37%	0.371	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	2.1	-178.2	0	0	0	0	0	116.1	G1123 H1137	G1123-G1125 PolarHBondContact O-N 2.83Å; G1125-H1137 PolarHBondContact O-ND1 3.06Å
1126	E	84.6	Confident	83.8	Confident	58 Å²	58	40.7 Å²	40.7	27%	0.271	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.5	171.1	-171.4	-168.1	135.4	0	0	109.7	K1122 G1123 I1124 P1135	K1122-E1126 PolarHBondContact N-O 2.87Å; K1122-E1126 VanDerWaalsContact N-O 3.16Å; K1122-E1126 IonicContact NZ-OE1 3.38Å; K1122-E1126 PolarHBondContact NZ-OE1 3.17Å; G1123-E1126 PolarHBondContact N-O 3.19Å; G1123-E1126 PolarHBondContact O-N 3.11Å; I1124-E1126 PolarHBondContact O-N 3.03Å; E1126-P1135 HydrophobicContact CG-CB 3.98Å
1127	Y	88.8	Confident	84.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.7	169.7	-65.9	-106.2	0	0	0	109.6	A1119 K1120 L1121 P1135 C1136 L1138 P1151 I1154 M1167	A1119-Y1127 HydrophobicContact CB-CD1 3.78Å; A1119-Y1127 HydrophobicContact CB-CG 3.78Å; K1120-Y1127 CarbonylContact O-C 3.57Å; K1120-Y1127 WeakPolarHBondContact O-CA 3.34Å; K1120-Y1127 WeakPolarHBondContact O-CB 3.33Å; L1121-Y1127 HydrophobicContact CB-CD1 4.15Å; L1121-Y1127 HydrophobicContact CB-CE1 4.02Å; L1121-Y1127 HydrophobicContact CD1-CD1 4.23Å; L1121-Y1127 HydrophobicContact CD1-CD2 4.46Å; L1121-Y1127 HydrophobicContact CD1-CE1 3.86Å; L1121-Y1127 HydrophobicContact CD1-CE2 4.11Å; Y1127-P1135 CarbonylContact O-C 3.56Å; Y1127-P1135 WeakPolarHBondContact O-CA 3.47Å; Y1127-C1136 PolarHBondContact N-O 3.22Å; Y1127-C1136 VanDerWaalsContact N-O 3.11Å; Y1127-C1136 PolarHBondContact O-N 3.16Å; Y1127-L1138 HydrophobicContact CD2-CG 4.22Å; Y1127-L1138 HydrophobicContact CE2-CD1 3.71Å; Y1127-L1138 HydrophobicContact CE2-CD2 4.27Å; Y1127-L1138 HydrophobicContact CE2-CG 3.69Å; Y1127-P1151 WeakPolarHBondContact CE1-O 3.45Å; Y1127-I1154 HydrophobicContact CD1-CD1 3.49Å; Y1127-I1154 VanDerWaalsContact CD1-CD1 3.49Å; Y1127-I1154 HydrophobicContact CD1-CG1 3.71Å; Y1127-I1154 HydrophobicContact CD2-CD1 4.09Å; Y1127-I1154 HydrophobicContact CE1-CB 4.48Å; Y1127-I1154 HydrophobicContact CE1-CD1 3.46Å; Y1127-I1154 VanDerWaalsContact CE1-CD1 3.46Å; Y1127-I1154 HydrophobicContact CE1-CG1 3.7Å; Y1127-I1154 HydrophobicContact CE1-CG2 3.99Å; Y1127-I1154 HydrophobicContact CE2-CD1 4.07Å; Y1127-I1154 HydrophobicContact CG-CD1 3.83Å; Y1127-I1154 HydrophobicContact CG-CG1 4.46Å; Y1127-M1167 HydrophobicContact CD2-CE 4.05Å; Y1127-M1167 HydrophobicContact CG-CE 4.16Å
1128	V	88.3	Confident	84.1	Confident	33 Å²	33	40.6 Å²	40.6	20%	0.2	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132	175	154.7	0	0	0	0	112.6	A1119 K1120 K1122 M1134 P1135	A1119-V1128 CarbonylContact C-O 3.53Å; K1120-V1128 VanDerWaalsContact CB-O 3.27Å; K1120-V1128 WeakPolarHBondContact CB-O 3.27Å; K1120-V1128 PolarHBondContact N-O 3.42Å; K1120-V1128 PolarHBondContact O-N 2.99Å; K1122-V1128 HydrophobicContact CB-CB 4.22Å; K1122-V1128 HydrophobicContact CB-CG2 4.38Å; K1122-V1128 HydrophobicContact CD-CB 3.86Å; K1122-V1128 HydrophobicContact CD-CG2 3.36Å; K1122-V1128 HydrophobicContact CG-CG2 4.5Å; V1128-M1134 CarbonylContact C-O 3.59Å; V1128-M1134 VanDerWaalsContact CA-O 3.23Å; V1128-M1134 WeakPolarHBondContact CA-O 3.4Å; V1128-P1135 HydrophobicContact CG2-CB 4.3Å
1129	N	87	Confident	83.9	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.016	24%	0.238	C	C	.	.			trans	-67.7	129	-172.9	-157.2	-63.5	0	0	0	113.2	S186 S187 A1118 T1132 G1133 M1134	S186-N1129 VanDerWaalsContact CA-OD1 3.31Å; S186-N1129 WeakPolarHBondContact CA-OD1 3.49Å; S187-N1129 VanDerWaalsContact CA-OD1 3.25Å; S187-N1129 WeakPolarHBondContact CA-OD1 3.38Å; S187-N1129 PolarHBondContact N-OD1 2.67Å; S187-N1129 PolarHBondContact OG-ND2 3.34Å; S187-N1129 PolarHBondContact OG-OD1 3.23Å; A1118-N1129 PolarHBondContact O-ND2 2.91Å; N1129-T1132 PolarHBondContact OD1-OG1 3.41Å; N1129-G1133 VanDerWaalsContact O-CA 3.29Å; N1129-G1133 WeakPolarHBondContact O-CA 3.34Å; N1129-G1133 PolarHBondContact O-N 2.98Å; N1129-M1134 HydrophobicContact CB-CB 4.21Å; N1129-M1134 PolarHBondContact N-O 3.45Å
1130	V	83.6	Confident	83.4	Confident	26 Å²	26	45.2 Å²	45.2	16%	0.158	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-40.8	-170.9	165.5	0	0	0	0	114.9	R188 V439 A1118 A1119 K1120 T1132 Y1186	R188-V1130 HydrophobicContact CG-CB 3.8Å; R188-V1130 HydrophobicContact CG-CG1 4.06Å; R188-V1130 HydrophobicContact CG-CG2 3.85Å; V439-V1130 HydrophobicContact CG1-CG1 4.45Å; V439-V1130 HydrophobicContact CG2-CG1 3.36Å; A1118-V1130 HydrophobicContact CB-CB 4.14Å; A1119-V1130 WeakPolarHBondContact O-CG2 3.42Å; K1120-V1130 HydrophobicContact CB-CG2 3.84Å; V1130-T1132 VanDerWaalsContact C-N 3.27Å; V1130-T1132 PolarHBondContact O-N 2.78Å; V1130-Y1186 HydrophobicContact CG1-CD1 4.32Å; V1130-Y1186 HydrophobicContact CG1-CE1 3.52Å
1131	R	78	Confident	82.8	Confident	49 Å²	49	44.5 Å²	44.5	19%	0.185	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.3	-176.5	-173.7	174.5	136.5	-152.3	-2.9	112.7	S186	S186-R1131 WeakPolarHBondContact O-CB 3.3Å; S186-R1131 WeakPolarHBondContact O-CD 3.1Å; S186-R1131 PolarHBondContact O-NE 3.01Å; S186-R1131 PolarHBondContact O-NH1 3.09Å
1132	T	77.5	Confident	82.4	Confident	46 Å²	46	43.2 Å²	43.2	28%	0.282	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-152.7	-17.1	-154.5	45.6	0	0	0	0	116.4	N184 S185 S186 N1129 V1130	N184-T1132 PolarHBondContact OD1-O 2.83Å; S185-T1132 VanDerWaalsContact C-CB 3.41Å; S185-T1132 WeakPolarHBondContact CA-OG1 3.41Å; S185-T1132 PolarHBondContact N-OG1 3Å; S185-T1132 WeakPolarHBondContact O-CB 3.25Å; S185-T1132 WeakPolarHBondContact O-CG2 3.43Å; S185-T1132 PolarHBondContact O-OG1 2.96Å; S186-T1132 WeakPolarHBondContact CA-OG1 3.5Å; S186-T1132 PolarHBondContact N-OG1 3.25Å; N1129-T1132 PolarHBondContact OD1-OG1 3.41Å; V1130-T1132 VanDerWaalsContact C-N 3.27Å; V1130-T1132 PolarHBondContact O-N 2.78Å
1133	G	80.3	Confident	81.9	Confident	32 Å²	32	37.1 Å²	37.1	33%	0.33	22%	0.224	S	C	.	.			trans	97	3.9	166.4	0	0	0	0	0	119.4	N184 N1129	N184-G1133 WeakPolarHBondContact OD1-CA 3.38Å; N184-G1133 PolarHBondContact OD1-O 2.95Å; N1129-G1133 VanDerWaalsContact O-CA 3.29Å; N1129-G1133 WeakPolarHBondContact O-CA 3.34Å; N1129-G1133 PolarHBondContact O-N 2.98Å
1134	M	82.2	Confident	81.7	Confident	22 Å²	22	35.9 Å²	35.9	11%	0.108	21%	0.21	C	C	.	.			trans	-68.4	138.3	-178.3	-92.3	-75.8	-153	0	0	113.2	N184 S185 I870 V1128 N1129 C1136 E1165	N184-M1134 HydrophobicContact CB-CE 3.9Å; N184-M1134 HydrophobicContact CB-CG 3.59Å; N184-M1134 HydrophobicContact CB-SD 3.8Å; N184-M1134 WeakPolarHBondContact ND2-CA 3.37Å; N184-M1134 WeakPolarHBondContact ND2-CG 3.4Å; N184-M1134 PolarHBondContact ND2-SD 2.77Å; N184-M1134 WeakPolarHBondContact O-CE 3.28Å; N184-M1134 WeakPolarHBondContact O-CG 3.31Å; N184-M1134 PolarHBondContact OD1-N 2.88Å; S185-M1134 WeakPolarHBondContact OG-CG 3.22Å; I870-M1134 HydrophobicContact CD1-CE 4.28Å; V1128-M1134 CarbonylContact C-O 3.59Å; V1128-M1134 VanDerWaalsContact CA-O 3.23Å; V1128-M1134 WeakPolarHBondContact CA-O 3.4Å; N1129-M1134 HydrophobicContact CB-CB 4.21Å; N1129-M1134 PolarHBondContact N-O 3.45Å; M1134-C1136 PolarHBondContact O-N 3.25Å; M1134-E1165 WeakPolarHBondContact CE-OE1 3.45Å; M1134-E1165 WeakPolarHBondContact CE-OE2 3.49Å; M1134-E1165 VanDerWaalsContact SD-OE1 3.37Å
1135	P	87.2	Confident	81.5	Confident	54 Å²	54	33.2 Å²	33.2	35%	0.351	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	107.7	158.5	31.3	-32	0	0	0	109.7	E1126 Y1127 V1128	E1126-P1135 HydrophobicContact CG-CB 3.98Å; Y1127-P1135 CarbonylContact O-C 3.56Å; Y1127-P1135 WeakPolarHBondContact O-CA 3.47Å; V1128-P1135 HydrophobicContact CG2-CB 4.3Å
1136	C	87.6	Confident	81.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.6	172.9	-55.2	0	0	0	0	109	Y1127 M1134 L1159 M1167	Y1127-C1136 PolarHBondContact N-O 3.22Å; Y1127-C1136 VanDerWaalsContact N-O 3.11Å; Y1127-C1136 PolarHBondContact O-N 3.16Å; M1134-C1136 PolarHBondContact O-N 3.25Å; C1136-L1159 HydrophobicContact CB-CD1 4.09Å; C1136-M1167 HydrophobicContact CB-CE 3.92Å; C1136-M1167 HydrophobicContact CB-CG 3.81Å; C1136-M1167 HydrophobicContact CB-SD 3.6Å; C1136-M1167 VanDerWaalsContact CB-SD 3.6Å
1137	H	87.8	Confident	80.1	Confident	42 Å²	42	35.6 Å²	35.6	19%	0.194	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	151.9	176.1	-65.2	-70.1	0	0	0	111.4	G1125 K1164 E1165 Y1166 M1167	G1125-H1137 PolarHBondContact O-ND1 3.06Å; H1137-K1164 PolarHBondContact NE2-NZ 3.1Å; H1137-E1165 PolarHBondContact N-O 3.21Å; H1137-Y1166 HydrophobicContact CB-CD1 3.86Å; H1137-Y1166 HydrophobicContact CB-CE1 3.91Å; H1137-Y1166 CarbonylContact O-C 3.41Å; H1137-Y1166 WeakPolarHBondContact O-CA 3.22Å; H1137-M1167 VanDerWaalsContact C-CE 3.4Å; H1137-M1167 WeakPolarHBondContact O-CE 3.45Å; H1137-M1167 PolarHBondContact O-N 2.99Å
1138	L	86.9	Confident	78.7	Confident	9 Å²	9	40.2 Å²	40.2	5%	0.047	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	134.4	166.2	-69.3	174.7	0	0	0	109.2	Y1127 L1144 F1145 I1154 Y1166 M1167 V1170	Y1127-L1138 HydrophobicContact CD2-CG 4.22Å; Y1127-L1138 HydrophobicContact CE2-CD1 3.71Å; Y1127-L1138 HydrophobicContact CE2-CD2 4.27Å; Y1127-L1138 HydrophobicContact CE2-CG 3.69Å; L1138-L1144 HydrophobicContact CD1-CB 4.05Å; L1138-F1145 HydrophobicContact CB-CD2 4.18Å; L1138-I1154 HydrophobicContact CD2-CD1 3.69Å; L1138-Y1166 WeakPolarHBondContact O-CD1 3.45Å; L1138-M1167 HydrophobicContact CD2-CE 4.15Å; L1138-M1167 HydrophobicContact CG-CE 4.44Å; L1138-V1170 HydrophobicContact CD2-CB 4.21Å; L1138-V1170 HydrophobicContact CD2-CG1 3.75Å; L1138-V1170 HydrophobicContact CD2-CG2 3.83Å
1139	H	84.5	Confident	77.9	Confident	43 Å²	43	47 Å²	47	20%	0.199	29%	0.286	C	S	.	.			trans	-67	141.3	171.8	-167.6	-118.3	0	0	0	110.3	T1141 S1142 Y1166 M1167 Q1168	H1139-T1141 WeakPolarHBondContact ND1-CG2 3.27Å; H1139-T1141 PolarHBondContact ND1-OG1 3.31Å; H1139-T1141 PolarHBondContact O-N 3.03Å; H1139-S1142 WeakPolarHBondContact O-CB 3.23Å; H1139-S1142 PolarHBondContact O-N 2.96Å; H1139-Y1166 AromaticContact CD2-CG 3.79Å; H1139-M1167 WeakPolarHBondContact CB-O 3.36Å; H1139-M1167 PolarHBondContact N-O 2.85Å; H1139-Q1168 HydrophobicContact CB-CG 3.96Å
1140	P	78.9	Confident	77.2	Confident	54 Å²	54	49.3 Å²	49.3	35%	0.351	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	15.6	176.6	-22.4	34.9	0	0	0	116.1	R1023 F1145	R1023-P1140 PolarHBondContact NH1-O 3.43Å; P1140-F1145 HydrophobicContact CB-CD1 4.32Å; P1140-F1145 HydrophobicContact CB-CE1 4.17Å; P1140-F1145 HydrophobicContact CB-CZ 4.42Å; P1140-F1145 HydrophobicContact CG-CZ 4.38Å
1141	T	77.4	Confident	77.1	Confident	44 Å²	44	48.3 Å²	48.3	27%	0.27	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-6.7	164.5	63.5	0	0	0	0	112.3	R1035 H1139	R1035-T1141 PolarHBondContact NH1-O 2.78Å; R1035-T1141 PolarHBondContact NH2-O 3.34Å; H1139-T1141 WeakPolarHBondContact ND1-CG2 3.27Å; H1139-T1141 PolarHBondContact ND1-OG1 3.31Å; H1139-T1141 PolarHBondContact O-N 3.03Å
1142	S	79.1	Confident	77.4	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.042	30%	0.297	C	S	.	.	S	Bend	trans	-72.9	140.5	178.3	-171.4	0	0	0	0	110.6	D1044 H1139 L1144 F1145	D1044-S1142 WeakPolarHBondContact OD1-CA 3.42Å; D1044-S1142 WeakPolarHBondContact OD2-CA 3.44Å; D1044-S1142 VanDerWaalsContact OD2-CB 3.3Å; D1044-S1142 WeakPolarHBondContact OD2-CB 3.4Å; D1044-S1142 PolarHBondContact OD2-OG 3.44Å; H1139-S1142 WeakPolarHBondContact O-CB 3.23Å; H1139-S1142 PolarHBondContact O-N 2.96Å; S1142-L1144 PolarHBondContact O-N 3.36Å; S1142-L1144 PolarHBondContact OG-N 2.77Å; S1142-F1145 VanDerWaalsContact O-CB 3.26Å; S1142-F1145 WeakPolarHBondContact O-CB 3.2Å; S1142-F1145 PolarHBondContact O-N 3.44Å
1143	S	73.8	Confident	78	Confident	12 Å²	12	46.4 Å²	46.4	8%	0.084	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.9	176.4	-48.8	0	0	0	0	111.9	D1044 T1047 F1145	D1044-S1143 WeakPolarHBondContact OD1-CB 3.4Å; D1044-S1143 PolarHBondContact OD1-N 2.9Å; D1044-S1143 PolarHBondContact OD1-OG 2.85Å; T1047-S1143 PolarHBondContact OG1-OG 3.27Å; S1143-F1145 VanDerWaalsContact C-N 3.27Å; S1143-F1145 PolarHBondContact O-N 3.4Å
1144	L	75.2	Confident	78.4	Confident	7 Å²	7	44.9 Å²	44.9	4%	0.037	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.2	172.5	-70.4	159	0	0	0	113.2	P1041 L1138 S1142 G1146 P1151 I1154 V1170 A1172	P1041-L1144 WeakPolarHBondContact O-CD2 3.34Å; L1138-L1144 HydrophobicContact CD1-CB 4.05Å; S1142-L1144 PolarHBondContact O-N 3.36Å; S1142-L1144 PolarHBondContact OG-N 2.77Å; L1144-G1146 PolarHBondContact O-N 2.78Å; L1144-P1151 HydrophobicContact CD2-CG 4.15Å; L1144-I1154 HydrophobicContact CD1-CG2 4.4Å; L1144-V1170 HydrophobicContact CD1-CB 4.01Å; L1144-V1170 HydrophobicContact CD1-CG1 3.48Å; L1144-V1170 VanDerWaalsContact CD1-CG1 3.48Å; L1144-A1172 HydrophobicContact CD2-CB 4.41Å
1145	F	70.7	Confident	78.9	Confident	121 Å²	121	43.8 Å²	43.8	53%	0.531	26%	0.264	S	S	.	.	S	Bend	trans	-87.7	105.6	178.2	-175	-89.9	0	0	0	110.4	L1138 P1140 S1142 S1143	L1138-F1145 HydrophobicContact CB-CD2 4.18Å; P1140-F1145 HydrophobicContact CB-CD1 4.32Å; P1140-F1145 HydrophobicContact CB-CE1 4.17Å; P1140-F1145 HydrophobicContact CB-CZ 4.42Å; P1140-F1145 HydrophobicContact CG-CZ 4.38Å; S1142-F1145 VanDerWaalsContact O-CB 3.26Å; S1142-F1145 WeakPolarHBondContact O-CB 3.2Å; S1142-F1145 PolarHBondContact O-N 3.44Å; S1143-F1145 VanDerWaalsContact C-N 3.27Å; S1143-F1145 PolarHBondContact O-N 3.4Å
1146	G	63.7	Low	79	Confident	78 Å²	78	41.4 Å²	41.4	80%	0.804	25%	0.248	S	C	*	.	S	Bend	trans	110.9	-5.7	178.5	0	0	0	0	0	114.8	L1144	L1144-G1146 PolarHBondContact O-N 2.78Å
1147	M	63.2	Low	79	Confident	67 Å²	67	42.7 Å²	42.7	33%	0.33	25%	0.254	S	S	.	.			trans	-77.5	141.1	172.7	-66.5	-165.9	164.7	0	0	111.7	P1041 Y1149	P1041-M1147 HydrophobicContact CB-CE 3.87Å; P1041-M1147 HydrophobicContact CB-SD 3.62Å; P1041-M1147 HydrophobicContact CG-CE 3.97Å; P1041-M1147 HydrophobicContact CG-SD 4.34Å; M1147-Y1149 PolarHBondContact O-N 3Å
1148	G	59.8	Low	78.8	Confident	96 Å²	96	45.4 Å²	45.4	99%	0.99	27%	0.267	S	S	*	.	S	Bend	trans	-69.3	-9.6	179.9	0	0	0	0	0	114.9
1149	Y	70.8	Confident	78.7	Confident	176 Å²	176	45.7 Å²	45.7	69%	0.69	27%	0.268	S	S	*	.			trans	-111.2	118.8	172.5	177.2	-98	0	0	0	109.7	M1147 P1151	M1147-Y1149 PolarHBondContact O-N 3Å; Y1149-P1151 HydrophobicContact CE1-CB 4.08Å
1150	T	72.8	Confident	78.5	Confident	51 Å²	51	45.6 Å²	45.6	31%	0.313	27%	0.271	S	S	.	.			trans	-109.9	115.2	174	52.6	0	0	0	0	110	L1121	L1121-T1150 WeakPolarHBondContact CD2-OG1 3.42Å
1151	P	82	Confident	78.4	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.032	27%	0.268	C	S	.	.			trans	-70.5	139.3	-178.6	28.6	-35.8	0	0	0	112.3	Y1127 L1144 Y1149 Y1153 I1154 A1172	Y1127-P1151 WeakPolarHBondContact CE1-O 3.45Å; L1144-P1151 HydrophobicContact CD2-CG 4.15Å; Y1149-P1151 HydrophobicContact CE1-CB 4.08Å; P1151-Y1153 PolarHBondContact O-N 3.24Å; P1151-I1154 HydrophobicContact CG-CG2 3.63Å; P1151-A1172 HydrophobicContact CB-CB 4.06Å; P1151-A1172 HydrophobicContact CG-CB 3.68Å
1152	D	84.6	Confident	78.5	Confident	47 Å²	47	47.5 Å²	47.5	25%	0.251	28%	0.278	S	S	.	.	S	Bend	trans	-57.1	-35.5	178.7	-91.3	-0.9	0	0	0	112.8	R188 L1121	R188-D1152 PolarHBondContact NH2-O 3.22Å; L1121-D1152 PolarHBondContact N-O 2.87Å
1153	Y	88.7	Confident	78.3	Confident	8 Å²	8	52.8 Å²	52.8	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.1	179.1	-55	-112.2	0	0	0	110.9	R188 V435 L437 P1151 V1173 L1178	R188-Y1153 VanDerWaalsContact NH1-CA 3.33Å; R188-Y1153 VanDerWaalsContact NH2-CE1 3.31Å; V435-Y1153 WeakPolarHBondContact O-CE2 2.99Å; V435-Y1153 VanDerWaalsContact O-CZ 3.27Å; V435-Y1153 PolarHBondContact O-OH 3.01Å; L437-Y1153 HydrophobicContact CD1-CD1 4.36Å; L437-Y1153 HydrophobicContact CD1-CE1 3.83Å; L437-Y1153 HydrophobicContact CG-CE1 4.13Å; P1151-Y1153 PolarHBondContact O-N 3.24Å; Y1153-V1173 CarbonylContact C-O 3.5Å; Y1153-V1173 VanDerWaalsContact CB-O 3.27Å; Y1153-V1173 WeakPolarHBondContact CB-O 3.26Å; Y1153-V1173 VanDerWaalsContact O-CG2 3.29Å; Y1153-V1173 WeakPolarHBondContact O-CG2 3.39Å; Y1153-V1173 PolarHBondContact O-N 2.71Å; Y1153-V1173 VanDerWaalsContact O-O 3.06Å; Y1153-L1178 HydrophobicContact CD1-CD1 3.15Å; Y1153-L1178 HydrophobicContact CE1-CD1 3.82Å; Y1153-L1178 HydrophobicContact CG-CD1 3.96Å
1154	I	90.6	Very high	78.7	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.4	177.2	61.4	168.9	0	0	0	111.1	R188 S189 A1119 Y1127 L1138 L1144 P1151 M1167 V1170 T1171 V1173	R188-I1154 PolarHBondContact NH1-O 3.06Å; S189-I1154 PolarHBondContact OG-O 3.07Å; A1119-I1154 HydrophobicContact CB-CD1 3.5Å; A1119-I1154 VanDerWaalsContact CB-CD1 3.5Å; A1119-I1154 HydrophobicContact CB-CG1 3.38Å; A1119-I1154 PolarHBondContact N-O 3.09Å; Y1127-I1154 HydrophobicContact CD1-CD1 3.49Å; Y1127-I1154 VanDerWaalsContact CD1-CD1 3.49Å; Y1127-I1154 HydrophobicContact CD1-CG1 3.71Å; Y1127-I1154 HydrophobicContact CD2-CD1 4.09Å; Y1127-I1154 HydrophobicContact CE1-CB 4.48Å; Y1127-I1154 HydrophobicContact CE1-CD1 3.46Å; Y1127-I1154 VanDerWaalsContact CE1-CD1 3.46Å; Y1127-I1154 HydrophobicContact CE1-CG1 3.7Å; Y1127-I1154 HydrophobicContact CE1-CG2 3.99Å; Y1127-I1154 HydrophobicContact CE2-CD1 4.07Å; Y1127-I1154 HydrophobicContact CG-CD1 3.83Å; Y1127-I1154 HydrophobicContact CG-CG1 4.46Å; L1138-I1154 HydrophobicContact CD2-CD1 3.69Å; L1144-I1154 HydrophobicContact CD1-CG2 4.4Å; P1151-I1154 HydrophobicContact CG-CG2 3.63Å; I1154-M1167 HydrophobicContact CD1-CE 3.83Å; I1154-M1167 HydrophobicContact CD1-SD 4.21Å; I1154-V1170 HydrophobicContact CB-CG1 3.76Å; I1154-V1170 HydrophobicContact CD1-CG1 3.78Å; I1154-V1170 HydrophobicContact CG1-CG1 4.3Å; I1154-V1170 HydrophobicContact CG2-CG1 4.07Å; I1154-T1171 CarbonylContact C-O 3.57Å; I1154-T1171 WeakPolarHBondContact CA-O 3.37Å; I1154-V1173 VanDerWaalsContact CA-CG2 3.47Å
1155	I	91.6	Very high	79.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	156.8	163.2	-22.3	170.6	0	0	0	109.8	I1110 C1111 Q1117 V1170 T1171 V1173	I1110-I1155 HydrophobicContact CB-CD1 4.38Å; I1110-I1155 HydrophobicContact CG2-CD1 3.61Å; C1111-I1155 HydrophobicContact CB-CD1 3.53Å; C1111-I1155 HydrophobicContact CB-CG1 4.31Å; C1111-I1155 WeakPolarHBondContact SG-CD1 3.33Å; C1111-I1155 WeakPolarHBondContact SG-CG2 3.49Å; Q1117-I1155 CarbonylContact O-C 3.53Å; I1155-V1170 WeakPolarHBondContact O-CA 3.29Å; I1155-V1170 WeakPolarHBondContact O-CG1 2.89Å; I1155-T1171 HydrophobicContact CD1-CG2 3.78Å; I1155-T1171 HydrophobicContact CG1-CG2 4.3Å; I1155-T1171 PolarHBondContact N-O 3.28Å; I1155-T1171 PolarHBondContact O-N 3.43Å; I1155-V1173 HydrophobicContact CD1-CG1 3.76Å; I1155-V1173 HydrophobicContact CG1-CG1 3.41Å; I1155-V1173 VanDerWaalsContact CG1-CG1 3.41Å; I1155-V1173 HydrophobicContact CG1-CG2 4.29Å
1156	Y	90.6	Very high	79.9	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.016	31%	0.314	C	S	.	.			trans	-127.9	164.4	155.4	63.1	-109.9	0	0	0	112.4	S186 S187 Q1117 A1118 E1158 L1159 M1167 C1169	S186-Y1156 WeakPolarHBondContact CB-OH 3.44Å; S187-Y1156 PolarHBondContact OG-OH 2.95Å; Q1117-Y1156 HydrophobicContact CB-CD2 3.86Å; Q1117-Y1156 HydrophobicContact CB-CE2 3.7Å; Q1117-Y1156 HydrophobicContact CB-CG 4.46Å; Q1117-Y1156 WeakPolarHBondContact CB-O 3.5Å; Q1117-Y1156 HydrophobicContact CG-CE2 4.15Å; Q1117-Y1156 VanDerWaalsContact O-CD1 3.27Å; Q1117-Y1156 WeakPolarHBondContact O-CD1 3.27Å; Q1117-Y1156 PolarHBondContact O-N 3.23Å; A1118-Y1156 WeakPolarHBondContact O-CE1 3.46Å; Y1156-E1158 VanDerWaalsContact CD2-C 3.46Å; Y1156-E1158 WeakPolarHBondContact CD2-O 3.45Å; Y1156-L1159 HydrophobicContact CD2-CB 4.44Å; Y1156-L1159 HydrophobicContact CE1-CB 4.49Å; Y1156-L1159 HydrophobicContact CE1-CD1 4.36Å; Y1156-L1159 HydrophobicContact CE2-CB 3.75Å; Y1156-M1167 HydrophobicContact CD1-CB 3.92Å; Y1156-M1167 HydrophobicContact CD1-CG 3.46Å; Y1156-M1167 VanDerWaalsContact CD1-CG 3.46Å; Y1156-M1167 HydrophobicContact CD1-SD 3.58Å; Y1156-M1167 VanDerWaalsContact CD1-SD 3.58Å; Y1156-M1167 HydrophobicContact CE1-CG 3.95Å; Y1156-M1167 HydrophobicContact CE1-SD 4.06Å; Y1156-M1167 HydrophobicContact CG-CB 4.09Å; Y1156-M1167 HydrophobicContact CG-CG 4.09Å; Y1156-C1169 WeakPolarHBondContact CA-O 3.32Å
1157	H	86.6	Confident	81	Confident	26 Å²	26	50.6 Å²	50.6	12%	0.12	28%	0.276	C	S	.	.	S	Bend	trans	-92.6	-37.7	173.9	176	50.3	0	0	0	113.1	Y1114 Q1117 Q1168 C1169	Y1114-H1157 AromaticContact CE1-ND1 3.86Å; Y1114-H1157 AromaticContact CE2-ND1 3.96Å; Y1114-H1157 AromaticContact CZ-CE1 4Å; Y1114-H1157 AromaticContact CZ-ND1 3.33Å; Y1114-H1157 VanDerWaalsContact CZ-ND1 3.33Å; Y1114-H1157 PolarHBondContact OH-CE1 2.66Å; Y1114-H1157 PolarHBondContact OH-ND1 3.3Å; Q1117-H1157 PolarHBondContact OE1-O 3.1Å; H1157-Q1168 PolarHBondContact N-O 3.17Å; H1157-C1169 HydrophobicContact CB-CB 3.78Å; H1157-C1169 PolarHBondContact N-O 3.49Å
1158	E	83.8	Confident	82.1	Confident	99 Å²	99	49.8 Å²	49.8	46%	0.463	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.8	175.9	-68	-167.8	144.8	0	0	111	Y1156 V1160 Q1168	Y1156-E1158 VanDerWaalsContact CD2-C 3.46Å; Y1156-E1158 WeakPolarHBondContact CD2-O 3.45Å; E1158-V1160 HydrophobicContact CB-CG2 4.4Å; E1158-Q1168 PolarHBondContact N-O 3.28Å; E1158-Q1168 PolarHBondContact O-N 3.08Å
1159	L	84.2	Confident	83.4	Confident	16 Å²	16	45.9 Å²	45.9	8%	0.084	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.6	167.7	-173.3	69.9	0	0	0	108.8	M872 C1136 Y1156 E1165 M1167	M872-L1159 HydrophobicContact CB-CD2 4.4Å; M872-L1159 HydrophobicContact CE-CD2 4.46Å; M872-L1159 HydrophobicContact CG-CD2 4.34Å; M872-L1159 HydrophobicContact CG-CG 4.46Å; M872-L1159 HydrophobicContact SD-CB 4.49Å; M872-L1159 HydrophobicContact SD-CD2 3.65Å; M872-L1159 HydrophobicContact SD-CG 3.74Å; C1136-L1159 HydrophobicContact CB-CD1 4.09Å; Y1156-L1159 HydrophobicContact CD2-CB 4.44Å; Y1156-L1159 HydrophobicContact CE1-CB 4.49Å; Y1156-L1159 HydrophobicContact CE1-CD1 4.36Å; Y1156-L1159 HydrophobicContact CE2-CB 3.75Å; L1159-E1165 HydrophobicContact CD1-CB 4.32Å; L1159-M1167 HydrophobicContact CD1-CG 3.63Å
1160	V	81.1	Confident	84.3	Confident	41 Å²	41	37.5 Å²	37.5	25%	0.248	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.2	-173.9	-176.8	0	0	0	0	110.2	E1158 T1162 Y1166 Q1168	E1158-V1160 HydrophobicContact CB-CG2 4.4Å; V1160-T1162 HydrophobicContact CG1-CG2 4.09Å; V1160-Y1166 PolarHBondContact N-O 3.2Å; V1160-Y1166 PolarHBondContact O-N 2.78Å; V1160-Q1168 HydrophobicContact CG2-CG 4.07Å
1161	M	77.4	Confident	85.2	Confident	58 Å²	58	35 Å²	35	29%	0.286	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.9	173.3	-160.3	176.5	-136.4	0	0	111.2	M872 A874 E1165	M872-M1161 HydrophobicContact CE-CB 4.35Å; M872-M1161 HydrophobicContact CE-CE 4.02Å; M872-M1161 HydrophobicContact CE-CG 4.42Å; M872-M1161 HydrophobicContact CE-SD 4.2Å; M872-M1161 HydrophobicContact SD-CB 3.81Å; M872-M1161 HydrophobicContact SD-CG 4.45Å; A874-M1161 HydrophobicContact CB-CB 3.87Å; A874-M1161 HydrophobicContact CB-CG 4.4Å; A874-M1161 HydrophobicContact CB-SD 3.8Å; M1161-E1165 HydrophobicContact CE-CG 4.35Å; M1161-E1165 HydrophobicContact CG-CG 4.37Å
1162	T	78.2	Confident	85.5	Confident	80 Å²	80	35.3 Å²	35.3	49%	0.491	18%	0.183	S	C	.	.	S	Bend	trans	-128	-124	173.4	64.3	0	0	0	0	109.7	V1160 K1164 Y1166	V1160-T1162 HydrophobicContact CG1-CG2 4.09Å; T1162-K1164 PolarHBondContact N-O 3.11Å; T1162-K1164 PolarHBondContact OG1-N 3.19Å; T1162-K1164 PolarHBondContact OG1-O 3.42Å; T1162-Y1166 VanDerWaalsContact OG1-CD2 3.3Å; T1162-Y1166 WeakPolarHBondContact OG1-CD2 3.27Å; T1162-Y1166 WeakPolarHBondContact OG1-CE2 3.35Å
1163	T	75.6	Confident	85.7	Confident	117 Å²	117	33.3 Å²	33.3	72%	0.718	17%	0.173	S	C	*	.	S	Bend	trans	-74	-20.9	160.5	55.5	0	0	0	0	112.2
1164	K	80.7	Confident	85.7	Confident	101 Å²	101	36.6 Å²	36.6	44%	0.439	19%	0.191	S	C	.	.	S	Bend	trans	-137.5	163	172.6	-72.3	-178.1	161.1	-150.7	0	109.4	H1137 T1162 Y1166	H1137-K1164 PolarHBondContact NE2-NZ 3.1Å; T1162-K1164 PolarHBondContact N-O 3.11Å; T1162-K1164 PolarHBondContact OG1-N 3.19Å; T1162-K1164 PolarHBondContact OG1-O 3.42Å; K1164-Y1166 HydrophobicContact CB-CD2 4.39Å; K1164-Y1166 HydrophobicContact CB-CE2 3.89Å
1165	E	84.8	Confident	85.4	Confident	22 Å²	22	36.8 Å²	36.8	10%	0.103	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.6	171.1	-74.1	169.7	-131.6	0	0	109.8	S185 M872 M1134 H1137 L1159 M1161	S185-E1165 PolarHBondContact OG-OE2 3.24Å; M872-E1165 VanDerWaalsContact CE-CD 3.47Å; M872-E1165 HydrophobicContact CE-CG 3.78Å; M872-E1165 HydrophobicContact SD-CG 3.89Å; M1134-E1165 WeakPolarHBondContact CE-OE1 3.45Å; M1134-E1165 WeakPolarHBondContact CE-OE2 3.49Å; M1134-E1165 VanDerWaalsContact SD-OE1 3.37Å; H1137-E1165 PolarHBondContact N-O 3.21Å; L1159-E1165 HydrophobicContact CD1-CB 4.32Å; M1161-E1165 HydrophobicContact CE-CG 4.35Å; M1161-E1165 HydrophobicContact CG-CG 4.37Å
1166	Y	86.9	Confident	85.1	Confident	48 Å²	48	42 Å²	42	19%	0.188	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.6	-177.9	-72.3	-65.7	0	0	0	112	H1137 L1138 H1139 V1160 T1162 K1164	H1137-Y1166 HydrophobicContact CB-CD1 3.86Å; H1137-Y1166 HydrophobicContact CB-CE1 3.91Å; H1137-Y1166 CarbonylContact O-C 3.41Å; H1137-Y1166 WeakPolarHBondContact O-CA 3.22Å; L1138-Y1166 WeakPolarHBondContact O-CD1 3.45Å; H1139-Y1166 AromaticContact CD2-CG 3.79Å; V1160-Y1166 PolarHBondContact N-O 3.2Å; V1160-Y1166 PolarHBondContact O-N 2.78Å; T1162-Y1166 VanDerWaalsContact OG1-CD2 3.3Å; T1162-Y1166 WeakPolarHBondContact OG1-CD2 3.27Å; T1162-Y1166 WeakPolarHBondContact OG1-CE2 3.35Å; K1164-Y1166 HydrophobicContact CB-CD2 4.39Å; K1164-Y1166 HydrophobicContact CB-CE2 3.89Å
1167	M	87.7	Confident	85	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.9	176.1	-62.5	176	-68.2	0	0	109.8	A1119 Y1127 C1136 H1137 L1138 H1139 I1154 Y1156 L1159 V1170	A1119-M1167 HydrophobicContact CB-CE 3.82Å; A1119-M1167 HydrophobicContact CB-SD 3.35Å; A1119-M1167 WeakPolarHBondContact CB-SD 3.35Å; Y1127-M1167 HydrophobicContact CD2-CE 4.05Å; Y1127-M1167 HydrophobicContact CG-CE 4.16Å; C1136-M1167 HydrophobicContact CB-CE 3.92Å; C1136-M1167 HydrophobicContact CB-CG 3.81Å; C1136-M1167 HydrophobicContact CB-SD 3.6Å; C1136-M1167 VanDerWaalsContact CB-SD 3.6Å; H1137-M1167 VanDerWaalsContact C-CE 3.4Å; H1137-M1167 WeakPolarHBondContact O-CE 3.45Å; H1137-M1167 PolarHBondContact O-N 2.99Å; L1138-M1167 HydrophobicContact CD2-CE 4.15Å; L1138-M1167 HydrophobicContact CG-CE 4.44Å; H1139-M1167 WeakPolarHBondContact CB-O 3.36Å; H1139-M1167 PolarHBondContact N-O 2.85Å; I1154-M1167 HydrophobicContact CD1-CE 3.83Å; I1154-M1167 HydrophobicContact CD1-SD 4.21Å; Y1156-M1167 HydrophobicContact CD1-CB 3.92Å; Y1156-M1167 HydrophobicContact CD1-CG 3.46Å; Y1156-M1167 VanDerWaalsContact CD1-CG 3.46Å; Y1156-M1167 HydrophobicContact CD1-SD 3.58Å; Y1156-M1167 VanDerWaalsContact CD1-SD 3.58Å; Y1156-M1167 HydrophobicContact CE1-CG 3.95Å; Y1156-M1167 HydrophobicContact CE1-SD 4.06Å; Y1156-M1167 HydrophobicContact CG-CB 4.09Å; Y1156-M1167 HydrophobicContact CG-CG 4.09Å; L1159-M1167 HydrophobicContact CD1-CG 3.63Å; M1167-V1170 HydrophobicContact CB-CG2 4.17Å
1168	Q	86.3	Confident	84.9	Confident	50 Å²	50	42.3 Å²	42.3	23%	0.234	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.3	179.5	-62.7	-163	6.5	0	0	112	H1139 H1157 E1158 V1160	H1139-Q1168 HydrophobicContact CB-CG 3.96Å; H1157-Q1168 PolarHBondContact N-O 3.17Å; E1158-Q1168 PolarHBondContact N-O 3.28Å; E1158-Q1168 PolarHBondContact O-N 3.08Å; V1160-Q1168 HydrophobicContact CG2-CG 4.07Å
1169	C	86.4	Confident	84.8	Confident	14 Å²	14	38.4 Å²	38.4	10%	0.095	20%	0.202	C	C	.	.	S	Bend	trans	49.9	83.8	-175	-48.2	0	0	0	0	112.1	L1015 D1044 H1045 Y1048 Y1156 H1157	L1015-C1169 HydrophobicContact CD2-CB 4.23Å; D1044-C1169 HydrophobicContact CB-CB 4.41Å; H1045-C1169 PolarHBondContact CE1-O 3.11Å; Y1048-C1169 HydrophobicContact CE2-CB 4.35Å; Y1156-C1169 WeakPolarHBondContact CA-O 3.32Å; H1157-C1169 HydrophobicContact CB-CB 3.78Å; H1157-C1169 PolarHBondContact N-O 3.49Å
1170	V	89.9	Confident	84.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.			trans	-105	147.8	-168.5	-177.1	0	0	0	0	111	S1043 D1044 L1138 L1144 I1154 I1155 M1167	S1043-V1170 CarbonylContact C-O 3.56Å; S1043-V1170 WeakPolarHBondContact CA-O 3.27Å; D1044-V1170 PolarHBondContact N-O 2.88Å; D1044-V1170 PolarHBondContact OD2-N 2.9Å; L1138-V1170 HydrophobicContact CD2-CB 4.21Å; L1138-V1170 HydrophobicContact CD2-CG1 3.75Å; L1138-V1170 HydrophobicContact CD2-CG2 3.83Å; L1144-V1170 HydrophobicContact CD1-CB 4.01Å; L1144-V1170 HydrophobicContact CD1-CG1 3.48Å; L1144-V1170 VanDerWaalsContact CD1-CG1 3.48Å; I1154-V1170 HydrophobicContact CB-CG1 3.76Å; I1154-V1170 HydrophobicContact CD1-CG1 3.78Å; I1154-V1170 HydrophobicContact CG1-CG1 4.3Å; I1154-V1170 HydrophobicContact CG2-CG1 4.07Å; I1155-V1170 WeakPolarHBondContact O-CA 3.29Å; I1155-V1170 WeakPolarHBondContact O-CG1 2.89Å; M1167-V1170 HydrophobicContact CB-CG2 4.17Å
1171	T	90.6	Very high	84.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.1	174.8	-68.3	0	0	0	0	110.1	S1043 H1045 R1107 I1154 I1155 V1173	S1043-T1171 VanDerWaalsContact CB-OG1 3.27Å; S1043-T1171 WeakPolarHBondContact CB-OG1 2.91Å; H1045-T1171 PolarHBondContact ND1-OG1 2.89Å; R1107-T1171 HydrophobicContact CB-CG2 4.45Å; R1107-T1171 HydrophobicContact CG-CG2 3.94Å; I1154-T1171 CarbonylContact C-O 3.57Å; I1154-T1171 WeakPolarHBondContact CA-O 3.37Å; I1155-T1171 HydrophobicContact CD1-CG2 3.78Å; I1155-T1171 HydrophobicContact CG1-CG2 4.3Å; I1155-T1171 PolarHBondContact N-O 3.28Å; I1155-T1171 PolarHBondContact O-N 3.43Å; T1171-V1173 HydrophobicContact CG2-CG1 3.9Å
1172	A	90	Very high	84.6	Confident	10 Å²	10	39.9 Å²	39.9	8%	0.083	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.6	173.8	0	0	0	0	0	111.8	R191 E1042 L1144 P1151	R191-A1172 PolarHBondContact NH2-O 3.23Å; R191-A1172 VanDerWaalsContact NH2-O 3.09Å; E1042-A1172 HydrophobicContact CB-CB 4.45Å; E1042-A1172 WeakPolarHBondContact O-CB 3.33Å; E1042-A1172 PolarHBondContact O-N 3.07Å; L1144-A1172 HydrophobicContact CD2-CB 4.41Å; P1151-A1172 HydrophobicContact CB-CB 4.06Å; P1151-A1172 HydrophobicContact CG-CB 3.68Å
1173	V	88.6	Confident	84.3	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	164.3	-164.4	-63	0	0	0	0	112.3	E190 Y1153 I1154 I1155 T1171	E190-V1173 HydrophobicContact CG-CB 3.6Å; E190-V1173 HydrophobicContact CG-CG1 4.02Å; E190-V1173 HydrophobicContact CG-CG2 4.07Å; E190-V1173 WeakPolarHBondContact OE1-CB 3.32Å; E190-V1173 WeakPolarHBondContact OE1-CG1 3.24Å; E190-V1173 VanDerWaalsContact OE2-CG1 3.27Å; E190-V1173 WeakPolarHBondContact OE2-CG1 3.45Å; Y1153-V1173 CarbonylContact C-O 3.5Å; Y1153-V1173 VanDerWaalsContact CB-O 3.27Å; Y1153-V1173 WeakPolarHBondContact CB-O 3.26Å; Y1153-V1173 VanDerWaalsContact O-CG2 3.29Å; Y1153-V1173 WeakPolarHBondContact O-CG2 3.39Å; Y1153-V1173 PolarHBondContact O-N 2.71Å; Y1153-V1173 VanDerWaalsContact O-O 3.06Å; I1154-V1173 VanDerWaalsContact CA-CG2 3.47Å; I1155-V1173 HydrophobicContact CD1-CG1 3.76Å; I1155-V1173 HydrophobicContact CG1-CG1 3.41Å; I1155-V1173 VanDerWaalsContact CG1-CG1 3.41Å; I1155-V1173 HydrophobicContact CG1-CG2 4.29Å; T1171-V1173 HydrophobicContact CG2-CG1 3.9Å
1174	D	87.9	Confident	83.9	Confident	77 Å²	77	37.6 Å²	37.6	41%	0.412	19%	0.19	S	C	.	.			trans	-118.1	163.5	-173.8	-55.9	18.8	0	0	0	112.5	W1177 L1178	D1174-W1177 HydrophobicContact CB-CD2 3.8Å; D1174-W1177 HydrophobicContact CB-CE3 3.35Å; D1174-W1177 HydrophobicContact CB-CH2 3.92Å; D1174-W1177 HydrophobicContact CB-CZ2 4.28Å; D1174-W1177 HydrophobicContact CB-CZ3 3.39Å; D1174-W1177 WeakPolarHBondContact OD1-CZ3 3.27Å; D1174-W1177 WeakPolarHBondContact OD2-CH2 3.18Å; D1174-W1177 WeakPolarHBondContact OD2-CZ3 3.37Å; D1174-L1178 WeakPolarHBondContact O-CD1 3.31Å
1175	G	83.8	Confident	83.2	Confident	4 Å²	4	33 Å²	33	4%	0.041	17%	0.17	C	C	.	.	S	Bend	trans	-69.7	-36	-172.8	0	0	0	0	0	115.7	L437 L1178	L437-G1175 WeakPolarHBondContact CD2-O 3.49Å; G1175-L1178 WeakPolarHBondContact O-CB 3.17Å
1176	E	85.9	Confident	83	Confident	110 Å²	110	32 Å²	32	51%	0.514	17%	0.166	S	C	.	.	H	α-helix	trans	-72.4	-45.7	-170.7	-52.9	-165.7	130.6	0	0	111.7	V435 L1178 A1179 E1180 I1188	V435-E1176 HydrophobicContact CG1-CG 4.42Å; V435-E1176 HydrophobicContact CG2-CG 3.88Å; E1176-L1178 PolarHBondContact O-N 2.98Å; E1176-A1179 PolarHBondContact O-N 3.04Å; E1176-E1180 PolarHBondContact O-N 3.37Å; E1176-I1188 HydrophobicContact CB-CD1 4.12Å; E1176-I1188 HydrophobicContact CG-CD1 4.37Å
1177	W	87.8	Confident	82.4	Confident	36 Å²	36	31.3 Å²	31.3	14%	0.136	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-19.4	-177	-52.8	-21.4	0	0	0	112.5	E190 R191 L192 D1174 L1181	E190-W1177 CarbonylContact C-O 3.49Å; E190-W1177 WeakPolarHBondContact CA-O 3.36Å; E190-W1177 HydrophobicContact CB-CB 3.66Å; E190-W1177 VanDerWaalsContact CB-O 3.23Å; E190-W1177 WeakPolarHBondContact CB-O 3.27Å; E190-W1177 HydrophobicContact CG-CB 4.23Å; R191-W1177 HydrophobicContact CB-CB 4.06Å; R191-W1177 HydrophobicContact CG-CB 3.51Å; R191-W1177 HydrophobicContact CG-CD2 3.51Å; R191-W1177 HydrophobicContact CG-CE3 3.18Å; R191-W1177 HydrophobicContact CG-CG 3.69Å; R191-W1177 HydrophobicContact CG-CZ3 4.06Å; R191-W1177 PolarHBondContact N-O 3.45Å; R191-W1177 VanDerWaalsContact NE-CZ3 3.26Å; R191-W1177 VanDerWaalsContact NH2-CZ3 3.28Å; L192-W1177 VanDerWaalsContact CA-CD1 3.45Å; L192-W1177 HydrophobicContact CB-CD2 4.2Å; L192-W1177 HydrophobicContact CB-CG 4.17Å; L192-W1177 HydrophobicContact CD1-CH2 4.39Å; L192-W1177 HydrophobicContact CD1-CZ2 4.39Å; L192-W1177 HydrophobicContact CD2-CD2 4.15Å; L192-W1177 HydrophobicContact CD2-CH2 4.09Å; L192-W1177 HydrophobicContact CD2-CZ2 3.34Å; L192-W1177 HydrophobicContact CG-CD2 3.6Å; L192-W1177 HydrophobicContact CG-CE3 4.03Å; L192-W1177 HydrophobicContact CG-CG 4.09Å; L192-W1177 HydrophobicContact CG-CH2 4.02Å; L192-W1177 HydrophobicContact CG-CZ2 3.61Å; L192-W1177 HydrophobicContact CG-CZ3 4.24Å; L192-W1177 VanDerWaalsContact N-CB 3.33Å; D1174-W1177 HydrophobicContact CB-CD2 3.8Å; D1174-W1177 HydrophobicContact CB-CE3 3.35Å; D1174-W1177 HydrophobicContact CB-CH2 3.92Å; D1174-W1177 HydrophobicContact CB-CZ2 4.28Å; D1174-W1177 HydrophobicContact CB-CZ3 3.39Å; D1174-W1177 WeakPolarHBondContact OD1-CZ3 3.27Å; D1174-W1177 WeakPolarHBondContact OD2-CH2 3.18Å; D1174-W1177 WeakPolarHBondContact OD2-CZ3 3.37Å; W1177-L1181 PolarHBondContact O-N 3.27Å
1178	L	84.4	Confident	81.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.4	-46.8	174.4	-74.2	165.6	0	0	0	112.3	R188 S189 E190 L437 Y1153 D1174 G1175 E1176 E1180 G1182 Y1186	R188-L1178 HydrophobicContact CB-CD2 4.2Å; R188-L1178 HydrophobicContact CG-CD2 4.1Å; S189-L1178 VanDerWaalsContact O-CD2 3.3Å; S189-L1178 WeakPolarHBondContact O-CD2 3.25Å; E190-L1178 HydrophobicContact CB-CB 4.22Å; E190-L1178 HydrophobicContact CB-CD2 3.6Å; E190-L1178 HydrophobicContact CB-CG 3.62Å; E190-L1178 VanDerWaalsContact CB-N 3.28Å; E190-L1178 HydrophobicContact CG-CD2 3.81Å; E190-L1178 HydrophobicContact CG-CG 3.81Å; L437-L1178 HydrophobicContact CD1-CB 3.38Å; L437-L1178 HydrophobicContact CD1-CD1 3.3Å; L437-L1178 HydrophobicContact CD1-CD2 4.49Å; L437-L1178 HydrophobicContact CD1-CG 3.78Å; L437-L1178 HydrophobicContact CD2-CB 4.36Å; L437-L1178 HydrophobicContact CG-CB 4.47Å; Y1153-L1178 HydrophobicContact CD1-CD1 3.15Å; Y1153-L1178 HydrophobicContact CE1-CD1 3.82Å; Y1153-L1178 HydrophobicContact CG-CD1 3.96Å; D1174-L1178 WeakPolarHBondContact O-CD1 3.31Å; G1175-L1178 WeakPolarHBondContact O-CB 3.17Å; E1176-L1178 PolarHBondContact O-N 2.98Å; L1178-E1180 VanDerWaalsContact C-N 3.26Å; L1178-G1182 WeakPolarHBondContact O-CA 3.37Å; L1178-G1182 PolarHBondContact O-N 2.97Å; L1178-Y1186 HydrophobicContact CB-CD2 4.01Å; L1178-Y1186 HydrophobicContact CB-CG 4.22Å; L1178-Y1186 HydrophobicContact CD2-CD2 4.09Å; L1178-Y1186 HydrophobicContact CD2-CE2 4.22Å; L1178-Y1186 WeakPolarHBondContact O-CD2 3.4Å
1179	A	82.9	Confident	81	Confident	17 Å²	17	34.6 Å²	34.6	14%	0.14	18%	0.183	C	C	.	.	H	α-helix	trans	-72.8	-25.8	177.3	0	0	0	0	0	111.9	L437 E1176 P1183 Y1186 I1188	L437-A1179 HydrophobicContact CD2-CB 4.35Å; E1176-A1179 PolarHBondContact O-N 3.04Å; A1179-P1183 WeakPolarHBondContact O-CA 3.12Å; A1179-P1183 WeakPolarHBondContact O-CB 3.18Å; A1179-Y1186 VanDerWaalsContact CA-O 3.27Å; A1179-Y1186 WeakPolarHBondContact CA-O 3.26Å; A1179-Y1186 WeakPolarHBondContact CB-O 3.46Å; A1179-I1188 HydrophobicContact CB-CD1 4.22Å; A1179-I1188 HydrophobicContact CB-CG1 3.54Å
1180	E	82.7	Confident	79.8	Confident	95 Å²	95	38.4 Å²	38.4	44%	0.444	20%	0.199	S	C	.	.	H	α-helix	trans	-69	-52.8	177.3	-172.9	176.2	-149.7	0	0	112.8	L192 E1176 L1178	L192-E1180 WeakPolarHBondContact CA-OE2 3.44Å; L192-E1180 PolarHBondContact N-OE2 3.01Å; E1176-E1180 PolarHBondContact O-N 3.37Å; L1178-E1180 VanDerWaalsContact C-N 3.26Å
1181	L	80.1	Confident	78.1	Confident	50 Å²	50	40.8 Å²	40.8	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-94.1	-15.6	-177.6	-60	-159.2	0	0	0	114.7	R191 M1002 A1112 W1177	R191-L1181 WeakPolarHBondContact O-CD1 3.44Å; M1002-L1181 HydrophobicContact CE-CD1 3.73Å; A1112-L1181 HydrophobicContact CB-CD1 3.54Å; W1177-L1181 PolarHBondContact O-N 3.27Å
1182	G	75.8	Confident	76.3	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.01	23%	0.233	C	C	.	.			trans	-121.7	45.7	175.8	0	0	0	0	0	114.4	L1178 M1184 F1185 Y1186	L1178-G1182 WeakPolarHBondContact O-CA 3.37Å; L1178-G1182 PolarHBondContact O-N 2.97Å; G1182-M1184 PolarHBondContact O-N 3.4Å; G1182-M1184 VanDerWaalsContact O-N 3.11Å; G1182-F1185 PolarHBondContact O-N 3.38Å; G1182-Y1186 PolarHBondContact O-N 3.21Å
1183	P	71.1	Confident	74.7	Confident	81 Å²	81	45.6 Å²	45.6	53%	0.526	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.6	-172.3	24.7	-34.9	0	0	0	113.4	A1179 F1185	A1179-P1183 WeakPolarHBondContact O-CA 3.12Å; A1179-P1183 WeakPolarHBondContact O-CB 3.18Å; P1183-F1185 PolarHBondContact O-N 2.9Å
1184	M	67.6	Low	72.9	Confident	69 Å²	69	46.1 Å²	46.1	34%	0.34	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.3	173.8	-61.7	-67.3	-74.6	0	0	113.6	L442 W965 G1182 M1209	L442-M1184 HydrophobicContact CD1-CE 4.16Å; L442-M1184 WeakPolarHBondContact CD1-O 3.34Å; W965-M1184 HydrophobicContact CH2-CE 3.54Å; W965-M1184 HydrophobicContact CZ2-CE 3.59Å; G1182-M1184 PolarHBondContact O-N 3.4Å; G1182-M1184 VanDerWaalsContact O-N 3.11Å; M1184-M1209 HydrophobicContact CE-CE 3.72Å
1185	F	66.1	Low	71.3	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.018	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-31.3	-176.2	-74.3	-90.2	0	0	0	113.2	V439 H440 Y962 W965 I966 F1115 G1182 P1183	V439-F1185 CarbonylContact C-O 3.56Å; V439-F1185 VanDerWaalsContact CA-O 3.31Å; V439-F1185 WeakPolarHBondContact CA-O 3.37Å; H440-F1185 PolarHBondContact N-O 3.09Å; H440-F1185 VanDerWaalsContact O-CD1 3.3Å; H440-F1185 WeakPolarHBondContact O-CD1 3.32Å; Y962-F1185 AromaticContact CZ-CZ 3.99Å; Y962-F1185 VanDerWaalsContact OH-CE1 3.31Å; Y962-F1185 WeakPolarHBondContact OH-CE1 3.31Å; Y962-F1185 WeakPolarHBondContact OH-CZ 3.49Å; W965-F1185 HydrophobicContact CZ3-CZ 4.5Å; I966-F1185 HydrophobicContact CD1-CE1 4.4Å; I966-F1185 HydrophobicContact CD1-CE2 4.32Å; I966-F1185 HydrophobicContact CD1-CZ 3.74Å; I966-F1185 HydrophobicContact CG1-CE2 3.76Å; I966-F1185 HydrophobicContact CG1-CZ 3.59Å; F1115-F1185 HydrophobicContact CD2-CD2 4.39Å; F1115-F1185 AromaticContact CE2-CD2 3.54Å; F1115-F1185 HydrophobicContact CE2-CD2 3.54Å; F1115-F1185 AromaticContact CE2-CE2 3.9Å; F1115-F1185 HydrophobicContact CE2-CE2 3.9Å; F1115-F1185 HydrophobicContact CE2-CG 4.41Å; F1115-F1185 HydrophobicContact CZ-CD2 4.38Å; F1115-F1185 HydrophobicContact CZ-CE2 4.5Å; G1182-F1185 PolarHBondContact O-N 3.38Å; P1183-F1185 PolarHBondContact O-N 2.9Å
1186	Y	79.4	Confident	69.9	Low	2 Å²	2	52.7 Å²	52.7	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.9	-172.7	-57.9	-47.1	0	0	0	111.3	S187 R188 L437 L438 V439 V1130 L1178 A1179 G1182	S187-Y1186 VanDerWaalsContact C-OH 3.32Å; S187-Y1186 PolarHBondContact O-OH 3.29Å; S187-Y1186 VanDerWaalsContact O-OH 3.07Å; R188-Y1186 WeakPolarHBondContact CA-OH 3.4Å; R188-Y1186 HydrophobicContact CB-CE2 4.42Å; R188-Y1186 HydrophobicContact CG-CE2 4.4Å; R188-Y1186 PolarHBondContact N-OH 3.23Å; L437-Y1186 HydrophobicContact CD1-CD1 4.05Å; L437-Y1186 HydrophobicContact CD1-CG 4.02Å; L438-Y1186 WeakPolarHBondContact O-CA 3.4Å; V439-Y1186 HydrophobicContact CG1-CE1 4.29Å; V439-Y1186 HydrophobicContact CG2-CE1 4.35Å; V1130-Y1186 HydrophobicContact CG1-CD1 4.32Å; V1130-Y1186 HydrophobicContact CG1-CE1 3.52Å; L1178-Y1186 HydrophobicContact CB-CD2 4.01Å; L1178-Y1186 HydrophobicContact CB-CG 4.22Å; L1178-Y1186 HydrophobicContact CD2-CD2 4.09Å; L1178-Y1186 HydrophobicContact CD2-CE2 4.22Å; L1178-Y1186 WeakPolarHBondContact O-CD2 3.4Å; A1179-Y1186 VanDerWaalsContact CA-O 3.27Å; A1179-Y1186 WeakPolarHBondContact CA-O 3.26Å; A1179-Y1186 WeakPolarHBondContact CB-O 3.46Å; G1182-Y1186 PolarHBondContact O-N 3.21Å
1187	S	75.6	Confident	68.8	Low	33 Å²	33	51 Å²	51	23%	0.231	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138	164.3	58.5	0	0	0	0	110.1	L438 H440 K1189	L438-S1187 PolarHBondContact N-O 3.47Å; L438-S1187 PolarHBondContact O-N 2.9Å; H440-S1187 PolarHBondContact NE2-OG 3.05Å; S1187-K1189 PolarHBondContact O-N 3.28Å
1188	I	76.6	Confident	67.6	Low	41 Å²	41	51.5 Å²	51.5	21%	0.21	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	123.7	176.8	-56.8	179.8	0	0	0	108.2	V435 L437 E1176 A1179 H1190	V435-I1188 HydrophobicContact CG1-CG2 4.09Å; L437-I1188 HydrophobicContact CD2-CG1 4.32Å; E1176-I1188 HydrophobicContact CB-CD1 4.12Å; E1176-I1188 HydrophobicContact CG-CD1 4.37Å; A1179-I1188 HydrophobicContact CB-CD1 4.22Å; A1179-I1188 HydrophobicContact CB-CG1 3.54Å; I1188-H1190 PolarHBondContact O-N 3.46Å
1189	K	68.1	Low	66.5	Low	77 Å²	77	56.6 Å²	56.6	34%	0.335	29%	0.29	S	S	.	.			trans	-72.8	72.2	166.9	-166.4	-157.2	170.8	-157.6	0	109	H436 L438 S1187 A1191	H436-K1189 HydrophobicContact CB-CB 4.13Å; H436-K1189 HydrophobicContact CB-CD 4.39Å; H436-K1189 WeakPolarHBondContact O-CB 3.45Å; H436-K1189 PolarHBondContact O-N 3.18Å; L438-K1189 HydrophobicContact CD1-CB 4.43Å; L438-K1189 HydrophobicContact CD1-CG 4.5Å; L438-K1189 HydrophobicContact CD2-CB 4.25Å; L438-K1189 HydrophobicContact CD2-CG 4.22Å; L438-K1189 HydrophobicContact CG-CB 3.99Å; L438-K1189 HydrophobicContact CG-CG 4.34Å; S1187-K1189 PolarHBondContact O-N 3.28Å; K1189-A1191 PolarHBondContact O-N 2.91Å
1190	H	60.9	Low	65.8	Low	94 Å²	94	61.8 Å²	61.8	44%	0.435	31%	0.306	S	S	.	.			trans	-53.1	115.5	167.8	-64.7	-74.4	0	0	0	107.9	I1188 G1192 K1193	I1188-H1190 PolarHBondContact O-N 3.46Å; H1190-G1192 PolarHBondContact O-N 3.44Å; H1190-K1193 HydrophobicContact CB-CB 4.3Å; H1190-K1193 HydrophobicContact CB-CD 3.91Å; H1190-K1193 HydrophobicContact CB-CG 3.89Å; H1190-K1193 PolarHBondContact CD2-NZ 3.19Å; H1190-K1193 PolarHBondContact NE2-NZ 3.05Å; H1190-K1193 VanDerWaalsContact NE2-NZ 3.12Å; H1190-K1193 PolarHBondContact O-N 3.18Å
1191	A	54.5	Low	65.1	Low	51 Å²	51	63.5 Å²	63.5	42%	0.421	31%	0.308	S	S	.	.	S	Bend	trans	-70.6	-23.7	-162.4	0	0	0	0	0	112.5	E253 S254 K1189	E253-A1191 CarbonylContact C-O 3.54Å; E253-A1191 WeakPolarHBondContact CA-O 3.28Å; S254-A1191 VanDerWaalsContact CB-CB 3.44Å; S254-A1191 WeakPolarHBondContact OG-CB 3.14Å; K1189-A1191 PolarHBondContact O-N 2.91Å
1192	G	52.7	Low	64.4	Low	28 Å²	28	62.6 Å²	62.6	29%	0.289	31%	0.308	S	S	.	.	S	Bend	trans	-109.5	84.9	157.4	0	0	0	0	0	113.1	W252 S254 H1190	W252-G1192 VanDerWaalsContact CE3-CA 3.48Å; W252-G1192 VanDerWaalsContact CZ3-O 3.25Å; W252-G1192 WeakPolarHBondContact CZ3-O 3.2Å; S254-G1192 PolarHBondContact OG-N 2.99Å; H1190-G1192 PolarHBondContact O-N 3.44Å
1193	K	55.3	Low	64.2	Low	82 Å²	82	69.2 Å²	69.2	36%	0.357	34%	0.337	S	S	.	.	S	Bend	trans	-144	142.8	153.9	-77.5	-173.3	-175.5	158.2	0	109.6	W252 H1190 R1195	W252-K1193 VanDerWaalsContact CE3-N 3.32Å; W252-K1193 VanDerWaalsContact CZ3-CA 3.45Å; H1190-K1193 HydrophobicContact CB-CB 4.3Å; H1190-K1193 HydrophobicContact CB-CD 3.91Å; H1190-K1193 HydrophobicContact CB-CG 3.89Å; H1190-K1193 PolarHBondContact CD2-NZ 3.19Å; H1190-K1193 PolarHBondContact NE2-NZ 3.05Å; H1190-K1193 VanDerWaalsContact NE2-NZ 3.12Å; H1190-K1193 PolarHBondContact O-N 3.18Å; K1193-R1195 PolarHBondContact O-N 3.46Å; K1193-R1195 VanDerWaalsContact O-N 3.13Å
1194	S	51.5	Low	64.3	Low	17 Å²	17	69.2 Å²	69.2	12%	0.119	33%	0.33	C	S	.	.			trans	-60.7	121.3	178.2	-170	0	0	0	0	109.7	W252 Q1196 E1197 N1198	W252-S1194 VanDerWaalsContact CE2-CB 3.48Å; W252-S1194 VanDerWaalsContact NE1-CA 3.3Å; S1194-Q1196 PolarHBondContact O-N 3.12Å; S1194-Q1196 VanDerWaalsContact O-N 3.12Å; S1194-Q1196 VanDerWaalsContact OG-CB 3.26Å; S1194-Q1196 WeakPolarHBondContact OG-CB 3.36Å; S1194-Q1196 PolarHBondContact OG-N 3.18Å; S1194-Q1196 VanDerWaalsContact OG-N 3.17Å; S1194-E1197 WeakPolarHBondContact O-CA 3.33Å; S1194-E1197 WeakPolarHBondContact O-CB 3.23Å; S1194-E1197 PolarHBondContact O-N 3.08Å; S1194-N1198 PolarHBondContact O-N 3.2Å; S1194-N1198 VanDerWaalsContact O-N 3.15Å
1195	R	53.8	Low	64.2	Low	85 Å²	85	71.2 Å²	71.2	32%	0.321	34%	0.338	S	S	.	.	H	α-helix	trans	-56.2	-29.5	168.2	178.1	166.3	148.7	-125.8	7.2	109.3	H249 Q251 K1193 E1197 N1198 R1199	H249-R1195 HydrophobicContact CB-CG 4.06Å; H249-R1195 PolarHBondContact CD2-O 3.16Å; H249-R1195 PolarHBondContact ND1-NE 3.45Å; H249-R1195 PolarHBondContact NE2-O 2.99Å; Q251-R1195 HydrophobicContact CB-CB 4.16Å; Q251-R1195 PolarHBondContact O-N 3.16Å; K1193-R1195 PolarHBondContact O-N 3.46Å; K1193-R1195 VanDerWaalsContact O-N 3.13Å; R1195-E1197 VanDerWaalsContact C-N 3.32Å; R1195-E1197 PolarHBondContact O-N 3.03Å; R1195-N1198 CarbonylContact O-C 3.38Å; R1195-N1198 WeakPolarHBondContact O-CA 3.46Å; R1195-N1198 WeakPolarHBondContact O-CB 3.45Å; R1195-N1198 PolarHBondContact O-N 2.92Å; R1195-R1199 PolarHBondContact O-N 2.6Å
1196	Q	55.9	Low	64.4	Low	133 Å²	133	74.7 Å²	74.7	62%	0.621	36%	0.357	S	S	*	.	H	α-helix	trans	-58.6	-38.7	171.3	-163.4	170.5	-5.7	0	0	113	S1194 R1199 R1200	S1194-Q1196 PolarHBondContact O-N 3.12Å; S1194-Q1196 VanDerWaalsContact O-N 3.12Å; S1194-Q1196 VanDerWaalsContact OG-CB 3.26Å; S1194-Q1196 WeakPolarHBondContact OG-CB 3.36Å; S1194-Q1196 PolarHBondContact OG-N 3.18Å; S1194-Q1196 VanDerWaalsContact OG-N 3.17Å; Q1196-R1199 PolarHBondContact O-N 3.24Å; Q1196-R1200 PolarHBondContact O-N 2.99Å
1197	E	62.5	Low	64	Low	74 Å²	74	76.6 Å²	76.6	35%	0.346	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-44.7	169.9	-157.3	67.6	-124.8	0	0	110.6	S1194 R1195 R1199 R1200 R1201	S1194-E1197 WeakPolarHBondContact O-CA 3.33Å; S1194-E1197 WeakPolarHBondContact O-CB 3.23Å; S1194-E1197 PolarHBondContact O-N 3.08Å; R1195-E1197 VanDerWaalsContact C-N 3.32Å; R1195-E1197 PolarHBondContact O-N 3.03Å; E1197-R1199 VanDerWaalsContact C-N 3.31Å; E1197-R1199 PolarHBondContact O-N 2.79Å; E1197-R1200 WeakPolarHBondContact O-CA 3.48Å; E1197-R1200 VanDerWaalsContact O-CB 3.31Å; E1197-R1200 WeakPolarHBondContact O-CB 3.26Å; E1197-R1200 PolarHBondContact O-N 3.2Å; E1197-R1200 IonicContact OE1-CZ 2.75Å; E1197-R1200 IonicContact OE1-NE 2.69Å; E1197-R1200 PolarHBondContact OE1-NE 3.29Å; E1197-R1200 IonicContact OE1-NH2 3.75Å; E1197-R1200 PolarHBondContact OE1-NH2 2.95Å; E1197-R1201 PolarHBondContact O-N 3.41Å
1198	N	61.4	Low	64	Low	48 Å²	48	79.5 Å²	79.5	26%	0.257	38%	0.383	S	S	.	.	H	α-helix	trans	-66.5	-28.8	178.4	-58.4	-3.9	0	0	0	112.4	S1194 R1195 R1200 A1202	S1194-N1198 PolarHBondContact O-N 3.2Å; S1194-N1198 VanDerWaalsContact O-N 3.15Å; R1195-N1198 CarbonylContact O-C 3.38Å; R1195-N1198 WeakPolarHBondContact O-CA 3.46Å; R1195-N1198 WeakPolarHBondContact O-CB 3.45Å; R1195-N1198 PolarHBondContact O-N 2.92Å; N1198-R1200 VanDerWaalsContact C-N 3.34Å; N1198-A1202 WeakPolarHBondContact O-CB 3.48Å; N1198-A1202 PolarHBondContact O-N 3.45Å
1199	R	62.2	Low	63.3	Low	106 Å²	106	78.8 Å²	78.8	40%	0.4	38%	0.379	S	S	.	.	H	α-helix	trans	-68.8	-32.3	169.1	157.6	179.8	-152	162.8	8.7	112.4	R248 H249 R1195 Q1196 E1197 K1203	R248-R1199 VanDerWaalsContact CB-CZ 3.41Å; R248-R1199 VanDerWaalsContact CB-NH1 3.28Å; R248-R1199 HydrophobicContact CG-CG 4.44Å; R248-R1199 PolarHBondContact O-NH1 3.24Å; H249-R1199 WeakPolarHBondContact CD2-CB 3.37Å; H249-R1199 WeakPolarHBondContact NE2-CA 3.28Å; H249-R1199 WeakPolarHBondContact NE2-CB 3.27Å; H249-R1199 PolarHBondContact NE2-N 2.94Å; R1195-R1199 PolarHBondContact O-N 2.6Å; Q1196-R1199 PolarHBondContact O-N 3.24Å; E1197-R1199 VanDerWaalsContact C-N 3.31Å; E1197-R1199 PolarHBondContact O-N 2.79Å; R1199-K1203 WeakPolarHBondContact O-CB 3.24Å; R1199-K1203 PolarHBondContact O-N 3.19Å
1200	R	69.1	Low	63.3	Low	126 Å²	126	79.9 Å²	79.9	48%	0.475	39%	0.386	S	S	.	.	H	α-helix	trans	-70.1	-54.4	177.5	-172	176	72.3	90.3	-10.9	109.6	Q1196 E1197 N1198 A1202 K1203 E1204	Q1196-R1200 PolarHBondContact O-N 2.99Å; E1197-R1200 WeakPolarHBondContact O-CA 3.48Å; E1197-R1200 VanDerWaalsContact O-CB 3.31Å; E1197-R1200 WeakPolarHBondContact O-CB 3.26Å; E1197-R1200 PolarHBondContact O-N 3.2Å; E1197-R1200 IonicContact OE1-CZ 2.75Å; E1197-R1200 IonicContact OE1-NE 2.69Å; E1197-R1200 PolarHBondContact OE1-NE 3.29Å; E1197-R1200 IonicContact OE1-NH2 3.75Å; E1197-R1200 PolarHBondContact OE1-NH2 2.95Å; N1198-R1200 VanDerWaalsContact C-N 3.34Å; R1200-A1202 PolarHBondContact O-N 3.29Å; R1200-K1203 WeakPolarHBondContact O-CA 3.21Å; R1200-K1203 WeakPolarHBondContact O-CB 3.25Å; R1200-K1203 PolarHBondContact O-N 3.24Å; R1200-E1204 WeakPolarHBondContact CG-OE1 3.5Å; R1200-E1204 IonicContact CZ-OE1 2.71Å; R1200-E1204 IonicContact CZ-OE2 2.8Å; R1200-E1204 IonicContact NE-OE1 3.14Å; R1200-E1204 IonicContact NH1-OE1 2.69Å; R1200-E1204 PolarHBondContact NH1-OE1 2.92Å; R1200-E1204 IonicContact NH1-OE2 3.44Å; R1200-E1204 PolarHBondContact NH1-OE2 3.01Å; R1200-E1204 WeakPolarHBondContact O-CG 3.22Å; R1200-E1204 PolarHBondContact O-N 3.06Å
1201	R	67.4	Low	63.9	Low	132 Å²	132	81.1 Å²	81.1	50%	0.498	39%	0.392	S	S	.	.	H	α-helix	trans	-54	-53.8	174.2	-69.1	-176.2	175.4	-138.9	-4.9	112.7	E1197 K1203 E1204 E1205	E1197-R1201 PolarHBondContact O-N 3.41Å; R1201-K1203 PolarHBondContact O-N 3.14Å; R1201-E1204 PolarHBondContact O-N 3.17Å; R1201-E1205 WeakPolarHBondContact O-CB 3.43Å; R1201-E1205 WeakPolarHBondContact O-CG 3.39Å; R1201-E1205 PolarHBondContact O-N 2.69Å
1202	A	65.5	Low	64.6	Low	31 Å²	31	84.4 Å²	84.4	26%	0.256	40%	0.398	S	S	.	.	H	α-helix	trans	-70.9	7.1	176.7	0	0	0	0	0	114.9	N1198 R1200 E1205	N1198-A1202 WeakPolarHBondContact O-CB 3.48Å; N1198-A1202 PolarHBondContact O-N 3.45Å; R1200-A1202 PolarHBondContact O-N 3.29Å; A1202-E1205 WeakPolarHBondContact CA-OE2 3.38Å
1203	K	71.6	Confident	65.1	Low	140 Å²	140	85.6 Å²	85.6	61%	0.609	40%	0.397	S	S	*	.	H	α-helix	trans	-107.3	-35.7	163.7	-166.3	-167.2	174.9	-163.8	0	110.9	R1199 R1200 R1201 L1206 S1207	R1199-K1203 WeakPolarHBondContact O-CB 3.24Å; R1199-K1203 PolarHBondContact O-N 3.19Å; R1200-K1203 WeakPolarHBondContact O-CA 3.21Å; R1200-K1203 WeakPolarHBondContact O-CB 3.25Å; R1200-K1203 PolarHBondContact O-N 3.24Å; R1201-K1203 PolarHBondContact O-N 3.14Å; K1203-L1206 PolarHBondContact O-N 3.25Å; K1203-S1207 WeakPolarHBondContact O-CB 3.18Å; K1203-S1207 PolarHBondContact O-N 3.46Å
1204	E	71.6	Confident	65.9	Low	81 Å²	81	85.3 Å²	85.3	38%	0.379	40%	0.402	S	S	.	.	H	α-helix	trans	-63.8	-46.1	172.8	-69.8	161.3	172	0	0	110.6	R1200 R1201 L1206 S1207 N1208	R1200-E1204 WeakPolarHBondContact CG-OE1 3.5Å; R1200-E1204 IonicContact CZ-OE1 2.71Å; R1200-E1204 IonicContact CZ-OE2 2.8Å; R1200-E1204 IonicContact NE-OE1 3.14Å; R1200-E1204 IonicContact NH1-OE1 2.69Å; R1200-E1204 PolarHBondContact NH1-OE1 2.92Å; R1200-E1204 IonicContact NH1-OE2 3.44Å; R1200-E1204 PolarHBondContact NH1-OE2 3.01Å; R1200-E1204 WeakPolarHBondContact O-CG 3.22Å; R1200-E1204 PolarHBondContact O-N 3.06Å; R1201-E1204 PolarHBondContact O-N 3.17Å; E1204-L1206 PolarHBondContact O-N 2.92Å; E1204-S1207 PolarHBondContact O-N 3.37Å; E1204-N1208 VanDerWaalsContact O-CG 3.23Å; E1204-N1208 PolarHBondContact O-N 3.27Å; E1204-N1208 PolarHBondContact O-OD1 3.17Å
1205	E	67.4	Low	66.9	Low	110 Å²	110	89.2 Å²	89.2	51%	0.514	42%	0.421	S	S	.	.	H	α-helix	trans	-58.2	-44.5	172.9	-70.2	153.3	-166.9	0	0	112.1	R1201 A1202 N1208 M1209	R1201-E1205 WeakPolarHBondContact O-CB 3.43Å; R1201-E1205 WeakPolarHBondContact O-CG 3.39Å; R1201-E1205 PolarHBondContact O-N 2.69Å; A1202-E1205 WeakPolarHBondContact CA-OE2 3.38Å; E1205-N1208 PolarHBondContact O-N 3.45Å; E1205-M1209 PolarHBondContact O-N 2.8Å; E1205-M1209 VanDerWaalsContact O-N 3.08Å
1206	L	69.2	Low	67.4	Low	78 Å²	78	86.1 Å²	86.1	41%	0.408	41%	0.413	S	S	.	.	H	α-helix	trans	-64.3	-43.3	176.6	-138.4	95.2	0	0	0	111.3	L442 K1203 E1204 N1208 M1209 E1210	L442-L1206 HydrophobicContact CD2-CD1 4.45Å; K1203-L1206 PolarHBondContact O-N 3.25Å; E1204-L1206 PolarHBondContact O-N 2.92Å; L1206-N1208 VanDerWaalsContact C-N 3.33Å; L1206-N1208 PolarHBondContact O-N 3.42Å; L1206-M1209 PolarHBondContact O-N 3.18Å; L1206-E1210 WeakPolarHBondContact O-CG 3.4Å; L1206-E1210 PolarHBondContact O-N 2.71Å
1207	S	72	Confident	67.9	Low	42 Å²	42	86 Å²	86	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-68	-31.8	179.5	-170.9	0	0	0	0	112.7	K1203 E1204 Q1211	K1203-S1207 WeakPolarHBondContact O-CB 3.18Å; K1203-S1207 PolarHBondContact O-N 3.46Å; E1204-S1207 PolarHBondContact O-N 3.37Å; S1207-Q1211 VanDerWaalsContact O-CG 3.25Å; S1207-Q1211 WeakPolarHBondContact O-CG 3.41Å; S1207-Q1211 PolarHBondContact O-N 3.19Å; S1207-Q1211 PolarHBondContact OG-NE2 3Å
1208	N	74.6	Confident	68.3	Low	93 Å²	93	88.6 Å²	88.6	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-68	-43.9	172.7	-69.2	-3.4	0	0	0	110.4	E1204 E1205 L1206 E1210 Q1211 E1212	E1204-N1208 VanDerWaalsContact O-CG 3.23Å; E1204-N1208 PolarHBondContact O-N 3.27Å; E1204-N1208 PolarHBondContact O-OD1 3.17Å; E1205-N1208 PolarHBondContact O-N 3.45Å; L1206-N1208 VanDerWaalsContact C-N 3.33Å; L1206-N1208 PolarHBondContact O-N 3.42Å; N1208-E1210 VanDerWaalsContact C-N 3.34Å; N1208-E1210 PolarHBondContact O-N 2.84Å; N1208-Q1211 PolarHBondContact O-N 3.15Å; N1208-Q1211 VanDerWaalsContact O-N 3.15Å; N1208-E1212 PolarHBondContact O-N 3.31Å
1209	M	61.3	Low	68.8	Low	27 Å²	27	92.3 Å²	92.3	13%	0.133	44%	0.441	C	S	.	.	H	α-helix	trans	-62.5	-38.4	175.3	-170.8	-176.2	-59.3	0	0	112.4	L442 M1184 E1205 L1206 M1213	L442-M1209 HydrophobicContact CD1-CE 4.31Å; M1184-M1209 HydrophobicContact CE-CE 3.72Å; E1205-M1209 PolarHBondContact O-N 2.8Å; E1205-M1209 VanDerWaalsContact O-N 3.08Å; L1206-M1209 PolarHBondContact O-N 3.18Å; M1209-M1213 WeakPolarHBondContact O-CB 3.46Å; M1209-M1213 PolarHBondContact O-N 3.44Å
1210	E	68.3	Low	69	Low	100 Å²	100	90.9 Å²	90.9	47%	0.467	44%	0.441	S	S	.	.	H	α-helix	trans	-62	-42.7	171.6	-74.1	169.5	178.9	0	0	111.9	L1206 N1208 M1213 V1214	L1206-E1210 WeakPolarHBondContact O-CG 3.4Å; L1206-E1210 PolarHBondContact O-N 2.71Å; N1208-E1210 VanDerWaalsContact C-N 3.34Å; N1208-E1210 PolarHBondContact O-N 2.84Å; E1210-M1213 PolarHBondContact O-N 3.47Å; E1210-V1214 WeakPolarHBondContact O-CG2 3.14Å; E1210-V1214 PolarHBondContact O-N 3.47Å
1211	Q	73.8	Confident	69.1	Low	120 Å²	120	93.5 Å²	93.5	56%	0.561	45%	0.45	S	S	*	.	H	α-helix	trans	-67.3	-43.2	177.7	-73.2	169.4	36.7	0	0	112.4	S1207 N1208 M1213 V1214 L1215	S1207-Q1211 VanDerWaalsContact O-CG 3.25Å; S1207-Q1211 WeakPolarHBondContact O-CG 3.41Å; S1207-Q1211 PolarHBondContact O-N 3.19Å; S1207-Q1211 PolarHBondContact OG-NE2 3Å; N1208-Q1211 PolarHBondContact O-N 3.15Å; N1208-Q1211 VanDerWaalsContact O-N 3.15Å; Q1211-M1213 VanDerWaalsContact C-N 3.32Å; Q1211-M1213 PolarHBondContact O-N 2.97Å; Q1211-V1214 PolarHBondContact O-N 3.15Å; Q1211-L1215 WeakPolarHBondContact O-CB 3.06Å; Q1211-L1215 PolarHBondContact O-N 3.33Å
1212	E	70.8	Confident	69.3	Low	119 Å²	119	89.8 Å²	89.8	56%	0.556	45%	0.448	S	S	*	.	H	α-helix	trans	-59.9	-42.4	172.8	-74	-177	164.5	0	0	111.6	N972 N1208 L1215 A1216	N972-E1212 PolarHBondContact ND2-OE2 2.86Å; N1208-E1212 PolarHBondContact O-N 3.31Å; E1212-L1215 PolarHBondContact O-N 3.03Å; E1212-A1216 VanDerWaalsContact O-CB 3.27Å; E1212-A1216 WeakPolarHBondContact O-CB 3.14Å; E1212-A1216 PolarHBondContact O-N 3.36Å
1213	M	62.5	Low	69.5	Low	53 Å²	53	96.2 Å²	96.2	26%	0.261	47%	0.466	S	S	.	.	H	α-helix	trans	-61.4	-46.8	177.4	-170.3	-162	-9.5	0	0	111.8	P445 M1209 E1210 Q1211 A1216 Q1217	P445-M1213 HydrophobicContact CB-CE 3.62Å; P445-M1213 HydrophobicContact CB-SD 3.66Å; P445-M1213 HydrophobicContact CG-CE 3.62Å; P445-M1213 HydrophobicContact CG-SD 4.23Å; M1209-M1213 WeakPolarHBondContact O-CB 3.46Å; M1209-M1213 PolarHBondContact O-N 3.44Å; E1210-M1213 PolarHBondContact O-N 3.47Å; Q1211-M1213 VanDerWaalsContact C-N 3.32Å; Q1211-M1213 PolarHBondContact O-N 2.97Å; M1213-A1216 PolarHBondContact O-N 3.42Å; M1213-Q1217 WeakPolarHBondContact O-CB 3.31Å; M1213-Q1217 PolarHBondContact O-N 3.29Å
1214	V	72.1	Confident	69.4	Low	77 Å²	77	96.1 Å²	96.1	47%	0.467	46%	0.462	S	S	.	.	H	α-helix	trans	-60.1	-47.9	177.9	170.4	0	0	0	0	110.5	E1210 Q1211 A1216 Q1217 E1218	E1210-V1214 WeakPolarHBondContact O-CG2 3.14Å; E1210-V1214 PolarHBondContact O-N 3.47Å; Q1211-V1214 PolarHBondContact O-N 3.15Å; V1214-A1216 PolarHBondContact O-N 3.37Å; V1214-Q1217 PolarHBondContact O-N 3.4Å; V1214-E1218 WeakPolarHBondContact O-CG 3.49Å; V1214-E1218 PolarHBondContact O-N 2.9Å
1215	L	73.1	Confident	69.6	Low	99 Å²	99	95.9 Å²	95.9	52%	0.518	46%	0.461	S	S	.	.	H	α-helix	trans	-62.5	-43.5	-179.7	-156.1	169.3	0	0	0	111.4	Q1211 E1212 E1218 Q1219	Q1211-L1215 WeakPolarHBondContact O-CB 3.06Å; Q1211-L1215 PolarHBondContact O-N 3.33Å; E1212-L1215 PolarHBondContact O-N 3.03Å; L1215-E1218 PolarHBondContact O-N 3.25Å; L1215-Q1219 HydrophobicContact CD2-CG 4.26Å; L1215-Q1219 WeakPolarHBondContact O-CG 3.42Å; L1215-Q1219 PolarHBondContact O-N 2.91Å
1216	A	62.7	Low	69.8	Low	20 Å²	20	95.5 Å²	95.5	17%	0.165	46%	0.459	C	S	.	.	H	α-helix	trans	-70.6	-32.5	177.1	0	0	0	0	0	112.9	T973 E1212 M1213 V1214 Q1219 L1220	T973-A1216 HydrophobicContact CG2-CB 3.43Å; T973-A1216 VanDerWaalsContact CG2-CB 3.43Å; E1212-A1216 VanDerWaalsContact O-CB 3.27Å; E1212-A1216 WeakPolarHBondContact O-CB 3.14Å; E1212-A1216 PolarHBondContact O-N 3.36Å; M1213-A1216 PolarHBondContact O-N 3.42Å; V1214-A1216 PolarHBondContact O-N 3.37Å; A1216-Q1219 PolarHBondContact O-N 3.01Å; A1216-L1220 WeakPolarHBondContact O-CB 3.49Å; A1216-L1220 PolarHBondContact O-N 3.16Å
1217	Q	66.9	Low	69.5	Low	129 Å²	129	96.5 Å²	96.5	60%	0.603	46%	0.461	S	S	*	.	H	α-helix	trans	-69.7	-37.7	173.9	-169.3	176.5	32.9	0	0	111.7	M1213 V1214 L1220 R1221	M1213-Q1217 WeakPolarHBondContact O-CB 3.31Å; M1213-Q1217 PolarHBondContact O-N 3.29Å; V1214-Q1217 PolarHBondContact O-N 3.4Å; Q1217-L1220 PolarHBondContact O-N 3.25Å; Q1217-R1221 WeakPolarHBondContact O-CB 3.47Å; Q1217-R1221 PolarHBondContact O-N 3.43Å
1218	E	71.5	Confident	69.3	Low	129 Å²	129	99 Å²	99	60%	0.603	47%	0.469	S	S	*	.	H	α-helix	trans	-63.4	-43.7	170.4	-74.3	-177.1	168.9	0	0	111.7	V1214 L1215 L1220 R1221 A1222	V1214-E1218 WeakPolarHBondContact O-CG 3.49Å; V1214-E1218 PolarHBondContact O-N 2.9Å; L1215-E1218 PolarHBondContact O-N 3.25Å; E1218-L1220 PolarHBondContact O-N 2.98Å; E1218-R1221 PolarHBondContact O-N 2.88Å; E1218-A1222 WeakPolarHBondContact O-CB 3.13Å; E1218-A1222 PolarHBondContact O-N 3.2Å
1219	Q	71.9	Confident	69	Low	127 Å²	127	100.6 Å²	100.6	59%	0.593	47%	0.471	S	S	*	.	H	α-helix	trans	-60.3	-43.2	173.3	-72.4	-177.4	28.8	0	0	112.3	L1215 A1216 A1222 R1223	L1215-Q1219 HydrophobicContact CD2-CG 4.26Å; L1215-Q1219 WeakPolarHBondContact O-CG 3.42Å; L1215-Q1219 PolarHBondContact O-N 2.91Å; A1216-Q1219 PolarHBondContact O-N 3.01Å; Q1219-A1222 PolarHBondContact O-N 3.39Å; Q1219-R1223 VanDerWaalsContact O-CB 3.24Å; Q1219-R1223 WeakPolarHBondContact O-CB 3.34Å; Q1219-R1223 PolarHBondContact O-N 3.2Å
1220	L	65.3	Low	69.1	Low	75 Å²	75	105.4 Å²	105.4	39%	0.393	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-39.9	175.7	-87.2	168.8	0	0	0	112.3	T973 A1216 Q1217 E1218 R1223 R1224	T973-L1220 HydrophobicContact CG2-CD1 3.76Å; A1216-L1220 WeakPolarHBondContact O-CB 3.49Å; A1216-L1220 PolarHBondContact O-N 3.16Å; Q1217-L1220 PolarHBondContact O-N 3.25Å; E1218-L1220 PolarHBondContact O-N 2.98Å; L1220-R1223 PolarHBondContact O-N 2.75Å; L1220-R1224 WeakPolarHBondContact O-CB 3.37Å; L1220-R1224 PolarHBondContact O-N 2.73Å
1221	R	71.7	Confident	68.3	Low	181 Å²	181	103.9 Å²	103.9	68%	0.683	49%	0.491	S	S	*	.	H	α-helix	trans	-63.1	-49.6	175.6	-172	177.1	-172.7	151.5	5.8	111.3	Q1217 E1218 R1223 R1224 E1225	Q1217-R1221 WeakPolarHBondContact O-CB 3.47Å; Q1217-R1221 PolarHBondContact O-N 3.43Å; E1218-R1221 PolarHBondContact O-N 2.88Å; R1221-R1223 VanDerWaalsContact C-N 3.28Å; R1221-R1223 PolarHBondContact O-N 3.05Å; R1221-R1224 PolarHBondContact O-N 3.03Å; R1221-E1225 WeakPolarHBondContact O-CG 3.4Å; R1221-E1225 PolarHBondContact O-N 2.99Å
1222	A	72.3	Confident	67.1	Low	55 Å²	55	103 Å²	103	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-58.7	-39.8	175.4	0	0	0	0	0	112	E1218 Q1219 E1225 E1226	E1218-A1222 WeakPolarHBondContact O-CB 3.13Å; E1218-A1222 PolarHBondContact O-N 3.2Å; Q1219-A1222 PolarHBondContact O-N 3.39Å; A1222-E1225 PolarHBondContact O-N 3.22Å; A1222-E1226 PolarHBondContact O-N 2.81Å
1223	R	69.4	Low	66.1	Low	166 Å²	166	100.6 Å²	100.6	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-71.9	-36.4	178.2	-168.8	173.9	-177.2	178.7	-0.6	113.3	Q1219 L1220 R1221 E1226 Q1227	Q1219-R1223 VanDerWaalsContact O-CB 3.24Å; Q1219-R1223 WeakPolarHBondContact O-CB 3.34Å; Q1219-R1223 PolarHBondContact O-N 3.2Å; L1220-R1223 PolarHBondContact O-N 2.75Å; R1221-R1223 VanDerWaalsContact C-N 3.28Å; R1221-R1223 PolarHBondContact O-N 3.05Å; R1223-E1226 WeakPolarHBondContact O-CB 3.23Å; R1223-E1226 PolarHBondContact O-N 3.34Å; R1223-Q1227 WeakPolarHBondContact O-CG 3.38Å; R1223-Q1227 PolarHBondContact O-N 2.88Å
1224	R	69.9	Low	65.2	Low	138 Å²	138	102.4 Å²	102.4	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-47.1	170.7	175.6	174.4	-75.7	-172	-3.7	110.2	L1220 R1221 E1226 Q1227 E1228	L1220-R1224 WeakPolarHBondContact O-CB 3.37Å; L1220-R1224 PolarHBondContact O-N 2.73Å; R1221-R1224 PolarHBondContact O-N 3.03Å; R1224-E1226 VanDerWaalsContact C-N 3.27Å; R1224-E1226 PolarHBondContact O-N 3.46Å; R1224-Q1227 CarbonylContact O-C 3.58Å; R1224-Q1227 WeakPolarHBondContact O-CA 3.42Å; R1224-Q1227 PolarHBondContact O-N 2.95Å; R1224-E1228 WeakPolarHBondContact CD-OE1 3.33Å; R1224-E1228 HydrophobicContact CG-CG 4.42Å; R1224-E1228 VanDerWaalsContact CG-OE1 3.27Å; R1224-E1228 WeakPolarHBondContact CG-OE1 3.11Å; R1224-E1228 WeakPolarHBondContact O-CG 3.31Å; R1224-E1228 PolarHBondContact O-N 3.12Å
1225	E	74.3	Confident	63.9	Low	76 Å²	76	102.7 Å²	102.7	36%	0.355	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-37	174.5	-76.4	-173.8	-146.7	0	0	112.5	R1221 A1222 K1229	R1221-E1225 WeakPolarHBondContact O-CG 3.4Å; R1221-E1225 PolarHBondContact O-N 2.99Å; A1222-E1225 PolarHBondContact O-N 3.22Å; E1225-K1229 VanDerWaalsContact O-CB 3.3Å; E1225-K1229 WeakPolarHBondContact O-CB 3.36Å; E1225-K1229 WeakPolarHBondContact O-CD 3.45Å; E1225-K1229 WeakPolarHBondContact O-CG 3.41Å; E1225-K1229 PolarHBondContact O-N 3.36Å; E1225-K1229 IonicContact OE2-NZ 2.75Å; E1225-K1229 PolarHBondContact OE2-NZ 2.8Å
1226	E	71.5	Confident	62.6	Low	102 Å²	102	104 Å²	104	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-42.2	170.4	-92.3	-161	-152.4	0	0	112.8	A1222 R1223 R1224 E1228 K1229 K1230	A1222-E1226 PolarHBondContact O-N 2.81Å; R1223-E1226 WeakPolarHBondContact O-CB 3.23Å; R1223-E1226 PolarHBondContact O-N 3.34Å; R1224-E1226 VanDerWaalsContact C-N 3.27Å; R1224-E1226 PolarHBondContact O-N 3.46Å; E1226-E1228 VanDerWaalsContact C-N 3.35Å; E1226-K1229 PolarHBondContact O-N 3.31Å; E1226-K1230 VanDerWaalsContact O-CB 3.3Å; E1226-K1230 WeakPolarHBondContact O-CB 3.21Å; E1226-K1230 WeakPolarHBondContact O-CD 3.46Å; E1226-K1230 WeakPolarHBondContact O-CG 3.41Å; E1226-K1230 PolarHBondContact O-N 3.5Å; E1226-K1230 IonicContact OE2-NZ 3.54Å; E1226-K1230 PolarHBondContact OE2-NZ 3.17Å
1227	Q	64.1	Low	61.6	Low	98 Å²	98	113.8 Å²	113.8	46%	0.458	56%	0.558	S	S	.	*	H	α-helix	trans	-65.4	-38.2	176.2	-75.4	-172.7	-68.4	0	0	111.6	R1223 R1224 K1230 S1231	R1223-Q1227 WeakPolarHBondContact O-CG 3.38Å; R1223-Q1227 PolarHBondContact O-N 2.88Å; R1224-Q1227 CarbonylContact O-C 3.58Å; R1224-Q1227 WeakPolarHBondContact O-CA 3.42Å; R1224-Q1227 PolarHBondContact O-N 2.95Å; Q1227-K1230 PolarHBondContact O-N 3.16Å; Q1227-S1231 WeakPolarHBondContact O-CB 3.32Å; Q1227-S1231 PolarHBondContact O-N 2.88Å; Q1227-S1231 PolarHBondContact O-OG 2.82Å
1228	E	67.5	Low	60.2	Low	96 Å²	96	111.4 Å²	111.4	45%	0.449	56%	0.56	S	S	.	*	H	α-helix	trans	-67.3	-41.3	173.1	-71.8	171.1	-166	0	0	111.7	R1224 E1226 K1230 S1231 N1232	R1224-E1228 WeakPolarHBondContact CD-OE1 3.33Å; R1224-E1228 HydrophobicContact CG-CG 4.42Å; R1224-E1228 VanDerWaalsContact CG-OE1 3.27Å; R1224-E1228 WeakPolarHBondContact CG-OE1 3.11Å; R1224-E1228 WeakPolarHBondContact O-CG 3.31Å; R1224-E1228 PolarHBondContact O-N 3.12Å; E1226-E1228 VanDerWaalsContact C-N 3.35Å; E1228-K1230 VanDerWaalsContact C-N 3.31Å; E1228-K1230 PolarHBondContact O-N 3.16Å; E1228-S1231 WeakPolarHBondContact CA-OG 3.42Å; E1228-S1231 PolarHBondContact O-N 2.96Å; E1228-S1231 PolarHBondContact O-OG 2.91Å; E1228-N1232 WeakPolarHBondContact O-CB 3.07Å; E1228-N1232 VanDerWaalsContact O-CG 3.24Å; E1228-N1232 PolarHBondContact O-N 2.69Å; E1228-N1232 PolarHBondContact O-ND2 2.69Å
1229	K	68.3	Low	58.8	Low	126 Å²	126	111.4 Å²	111.4	55%	0.548	57%	0.569	S	S	.	*	H	α-helix	trans	-63.2	-37.7	173	-71	157.1	-161.8	165	0	110.9	E1225 E1226 A1233	E1225-K1229 VanDerWaalsContact O-CB 3.3Å; E1225-K1229 WeakPolarHBondContact O-CB 3.36Å; E1225-K1229 WeakPolarHBondContact O-CD 3.45Å; E1225-K1229 WeakPolarHBondContact O-CG 3.41Å; E1225-K1229 PolarHBondContact O-N 3.36Å; E1225-K1229 IonicContact OE2-NZ 2.75Å; E1225-K1229 PolarHBondContact OE2-NZ 2.8Å; E1226-K1229 PolarHBondContact O-N 3.31Å; K1229-A1233 VanDerWaalsContact O-CB 3.24Å; K1229-A1233 WeakPolarHBondContact O-CB 3.43Å; K1229-A1233 PolarHBondContact O-N 3.29Å
1230	K	63.2	Low	57.1	Low	128 Å²	128	114.5 Å²	114.5	56%	0.557	58%	0.58	S	S	*	*	H	α-helix	trans	-73.6	-40.1	176.7	-74.5	161.8	179.6	164	0	113.2	E1226 Q1227 E1228 A1233 C1234	E1226-K1230 VanDerWaalsContact O-CB 3.3Å; E1226-K1230 WeakPolarHBondContact O-CB 3.21Å; E1226-K1230 WeakPolarHBondContact O-CD 3.46Å; E1226-K1230 WeakPolarHBondContact O-CG 3.41Å; E1226-K1230 PolarHBondContact O-N 3.5Å; E1226-K1230 IonicContact OE2-NZ 3.54Å; E1226-K1230 PolarHBondContact OE2-NZ 3.17Å; Q1227-K1230 PolarHBondContact O-N 3.16Å; E1228-K1230 VanDerWaalsContact C-N 3.31Å; E1228-K1230 PolarHBondContact O-N 3.16Å; K1230-A1233 PolarHBondContact O-N 2.87Å; K1230-C1234 PolarHBondContact O-N 3.06Å
1231	S	51.5	Low	56.1	Low	67 Å²	67	117.9 Å²	117.9	47%	0.469	60%	0.597	S	S	.	*	H	α-helix	trans	-71.3	-39.7	177.4	65.8	0	0	0	0	111.5	Q1227 E1228 C1234 S1235	Q1227-S1231 WeakPolarHBondContact O-CB 3.32Å; Q1227-S1231 PolarHBondContact O-N 2.88Å; Q1227-S1231 PolarHBondContact O-OG 2.82Å; E1228-S1231 WeakPolarHBondContact CA-OG 3.42Å; E1228-S1231 PolarHBondContact O-N 2.96Å; E1228-S1231 PolarHBondContact O-OG 2.91Å; S1231-C1234 WeakPolarHBondContact O-CB 3.33Å; S1231-C1234 PolarHBondContact O-N 3.19Å; S1231-S1235 WeakPolarHBondContact O-CB 3.27Å; S1231-S1235 PolarHBondContact O-N 2.99Å
1232	N	49.7	Very low	54.5	Low	102 Å²	102	115 Å²	115	55%	0.545	60%	0.603	S	S	.	*	H	α-helix	trans	-62.8	-43.3	170.8	-74.1	-43.8	0	0	0	111.6	E1228 C1234 S1235 V1236	E1228-N1232 WeakPolarHBondContact O-CB 3.07Å; E1228-N1232 VanDerWaalsContact O-CG 3.24Å; E1228-N1232 PolarHBondContact O-N 2.69Å; E1228-N1232 PolarHBondContact O-ND2 2.69Å; N1232-C1234 PolarHBondContact O-N 2.84Å; N1232-S1235 PolarHBondContact O-N 2.58Å; N1232-V1236 WeakPolarHBondContact O-CG2 3.25Å; N1232-V1236 PolarHBondContact O-N 3.34Å
1233	A	48	Very low	53.2	Low	68 Å²	68	117.2 Å²	117.2	56%	0.562	61%	0.611	S	S	*	*	H	α-helix	trans	-61.9	-29.8	174.1	0	0	0	0	0	113.3	K1229 K1230	K1229-A1233 VanDerWaalsContact O-CB 3.24Å; K1229-A1233 WeakPolarHBondContact O-CB 3.43Å; K1229-A1233 PolarHBondContact O-N 3.29Å; K1230-A1233 PolarHBondContact O-N 2.87Å
1234	C	44.4	Very low	51.5	Low	91 Å²	91	115.8 Å²	115.8	62%	0.615	62%	0.623	S	S	*	*	H	α-helix	trans	-76.6	-42.8	172.8	-158.8	0	0	0	0	111.9	K1230 S1231 N1232 V1236 R1237	K1230-C1234 PolarHBondContact O-N 3.06Å; S1231-C1234 WeakPolarHBondContact O-CB 3.33Å; S1231-C1234 PolarHBondContact O-N 3.19Å; N1232-C1234 PolarHBondContact O-N 2.84Å; C1234-V1236 VanDerWaalsContact C-N 3.26Å; C1234-V1236 PolarHBondContact O-N 3.47Å; C1234-R1237 WeakPolarHBondContact O-CB 3.48Å; C1234-R1237 PolarHBondContact O-N 3.34Å
1235	S	44.2	Very low	50.3	Low	83 Å²	83	113.1 Å²	113.1	58%	0.58	64%	0.639	S	S	*	*	H	α-helix	trans	-58.4	-34.8	177.3	-173.9	0	0	0	0	112.8	S1231 N1232 R1237 A1238	S1231-S1235 WeakPolarHBondContact O-CB 3.27Å; S1231-S1235 PolarHBondContact O-N 2.99Å; N1232-S1235 PolarHBondContact O-N 2.58Å; S1235-R1237 PolarHBondContact O-N 2.93Å; S1235-R1237 VanDerWaalsContact O-N 3.09Å; S1235-A1238 WeakPolarHBondContact O-CB 3.43Å; S1235-A1238 PolarHBondContact O-N 2.93Å
1236	V	46.1	Very low	48.6	Very low	127 Å²	127	118.8 Å²	118.8	77%	0.77	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-5.4	175.7	173.4	0	0	0	0	113.4	N1232 C1234 A1238	N1232-V1236 WeakPolarHBondContact O-CG2 3.25Å; N1232-V1236 PolarHBondContact O-N 3.34Å; C1234-V1236 VanDerWaalsContact C-N 3.26Å; C1234-V1236 PolarHBondContact O-N 3.47Å; V1236-A1238 PolarHBondContact O-N 3.24Å
1237	R	42.8	Very low	47.3	Very low	226 Å²	226	123.8 Å²	123.8	85%	0.853	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	18.3	162.5	-72.6	-173.5	168.6	178	-1.8	114.1	C1234 S1235	C1234-R1237 WeakPolarHBondContact O-CB 3.48Å; C1234-R1237 PolarHBondContact O-N 3.34Å; S1235-R1237 PolarHBondContact O-N 2.93Å; S1235-R1237 VanDerWaalsContact O-N 3.09Å
1238	A	36.8	Very low	45.9	Very low	78 Å²	78	125.7 Å²	125.7	65%	0.645	69%	0.686	S	S	*	*			trans	-48.9	139	167	0	0	0	0	0	112	S1235 V1236 K1240	S1235-A1238 WeakPolarHBondContact O-CB 3.43Å; S1235-A1238 PolarHBondContact O-N 2.93Å; V1236-A1238 PolarHBondContact O-N 3.24Å; A1238-K1240 PolarHBondContact O-N 3.49Å; A1238-K1240 VanDerWaalsContact O-N 3.16Å
1239	V	42.2	Very low	44.6	Very low	130 Å²	130	130.7 Å²	130.7	79%	0.788	71%	0.71	S	S	*	*			trans	-54.3	114.8	-169.4	179.2	0	0	0	0	112.2	I1241	V1239-I1241 PolarHBondContact O-N 3.3Å; V1239-I1241 VanDerWaalsContact O-N 3.1Å
1240	K	35.7	Very low	43	Very low	191 Å²	191	128.9 Å²	128.9	83%	0.83	72%	0.718	S	S	*	*			trans	-63.8	110.4	161.2	-99	-170.3	174	-175.5	0	108.5	A1238 C1242	A1238-K1240 PolarHBondContact O-N 3.49Å; A1238-K1240 VanDerWaalsContact O-N 3.16Å; K1240-C1242 PolarHBondContact O-N 3.06Å
1241	I	44	Very low	41.8	Very low	147 Å²	147	128.9 Å²	128.9	75%	0.754	73%	0.731	S	S	*	*			trans	-66.7	105	172.3	-60	174.7	0	0	0	108.1	V1239 T1243	V1239-I1241 PolarHBondContact O-N 3.3Å; V1239-I1241 VanDerWaalsContact O-N 3.1Å; I1241-T1243 PolarHBondContact O-N 3.28Å
1242	C	39.4	Very low	41	Very low	119 Å²	119	134.5 Å²	134.5	80%	0.804	75%	0.752	S	S	*	*			trans	-74.5	86	175.5	-73.9	0	0	0	0	110.8	K1240 P1244	K1240-C1242 PolarHBondContact O-N 3.06Å; C1242-P1244 WeakPolarHBondContact O-CD 3.36Å
1243	T	44.2	Very low	40.1	Very low	102 Å²	102	135.8 Å²	135.8	63%	0.626	76%	0.764	S	S	*	*			trans	-62.7	125.1	166.4	48.4	0	0	0	0	110.3	I1241 G1245	I1241-T1243 PolarHBondContact O-N 3.28Å; T1243-G1245 PolarHBondContact O-N 3.03Å
1244	P	34.4	Very low	39.6	Very low	136 Å²	136	138.6 Å²	138.6	88%	0.883	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	131.6	176.7	-22.3	33.6	0	0	0	111.6	C1242	C1242-P1244 WeakPolarHBondContact O-CD 3.36Å
1245	G	44.6	Very low	39.1	Very low	83 Å²	83	143.6 Å²	143.6	86%	0.856	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	124.3	-16.9	166.6	0	0	0	0	0	117.2	T1243	T1243-G1245 PolarHBondContact O-N 3.03Å
1246	R	37	Very low	38.7	Very low	195 Å²	195	151.5 Å²	151.5	74%	0.736	81%	0.805	S	S	*	*			trans	-97.8	108.8	-179.1	-165.4	167.3	178.7	158.2	-2.4	112.1	E1248	R1246-E1248 IonicContact CZ-OE1 2.64Å; R1246-E1248 IonicContact NE-OE1 2.78Å; R1246-E1248 PolarHBondContact NE-OE1 3.37Å; R1246-E1248 IonicContact NH2-OE1 3.65Å; R1246-E1248 PolarHBondContact NH2-OE1 2.84Å
1247	K	45.9	Very low	38.2	Very low	206 Å²	206	150.8 Å²	150.8	90%	0.896	80%	0.801	S	S	*	*			trans	-85.8	114.6	168.5	-74.7	-176.2	176.7	-178.4	0	109.9
1248	E	33.4	Very low	38.1	Very low	139 Å²	139	146 Å²	146	65%	0.65	80%	0.799	S	S	*	*			trans	-132.6	143.4	159.9	-75	173.5	-164.2	0	0	107.8	R1246	R1246-E1248 IonicContact CZ-OE1 2.64Å; R1246-E1248 IonicContact NE-OE1 2.78Å; R1246-E1248 PolarHBondContact NE-OE1 3.37Å; R1246-E1248 IonicContact NH2-OE1 3.65Å; R1246-E1248 PolarHBondContact NH2-OE1 2.84Å
1249	E	41	Very low	38	Very low	201 Å²	201	147 Å²	147	94%	0.939	81%	0.807	S	S	*	*			trans	-85.5	132.9	-160.4	-59.9	-177.4	142	0	0	112.3
1250	A	34.4	Very low	37.8	Very low	88 Å²	88	152.3 Å²	152.3	73%	0.727	81%	0.813	S	S	*	*			trans	-113.3	125.3	177.3	0	0	0	0	0	110.3	M1252	A1250-M1252 PolarHBondContact O-N 3.02Å
1251	P	37.2	Very low	38	Very low	128 Å²	128	152.7 Å²	152.7	83%	0.831	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-66.4	134.1	173.9	27.6	-33.2	0	0	0	110.4
1252	M	34.6	Very low	38.2	Very low	184 Å²	184	149 Å²	149	91%	0.906	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-69.5	131.9	-176.3	-74.2	-175	161.9	0	0	112.7	A1250	A1250-M1252 PolarHBondContact O-N 3.02Å
1253	T	32.3	Very low	38.1	Very low	130 Å²	130	154.3 Å²	154.3	80%	0.798	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-91.1	140.6	145.9	49.2	0	0	0	0	109.2	K1255	T1253-K1255 PolarHBondContact O-N 3.01Å
1254	P	36.6	Very low	37.8	Very low	126 Å²	126	156.9 Å²	156.9	82%	0.818	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-77.3	119.6	-161.4	28	-35.1	0	0	0	113.5	R1256	P1254-R1256 PolarHBondContact O-N 3.43Å
1255	K	33.8	Very low	38	Very low	196 Å²	196	158 Å²	158	85%	0.852	84%	0.841	S	S	*	*			trans	-72.5	106.2	164.6	-74.1	-173.5	177.3	-177.9	0	110	T1253 T1257	T1253-K1255 PolarHBondContact O-N 3.01Å; K1255-T1257 PolarHBondContact O-N 3.08Å
1256	R	35.8	Very low	37.6	Very low	250 Å²	250	162.2 Å²	162.2	94%	0.943	84%	0.84	S	S	*	*			trans	-79.1	94.1	164.7	-164.3	177.5	-170	-173.5	2.7	108.8	P1254	P1254-R1256 PolarHBondContact O-N 3.43Å
1257	T	35.9	Very low	37.6	Very low	112 Å²	112	160.2 Å²	160.2	69%	0.687	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-65	142.8	176.3	45.8	0	0	0	0	111.3	K1255	K1255-T1257 PolarHBondContact O-N 3.08Å
1258	P	40.7	Very low	37.1	Very low	124 Å²	124	157.4 Å²	157.4	81%	0.805	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-65.5	140.8	171.8	29.3	-34.3	0	0	0	110.1
1259	A	35.8	Very low	37.4	Very low	100 Å²	100	158.6 Å²	158.6	83%	0.826	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-70.3	137.3	172.8	0	0	0	0	0	110.1
1260	R	37.5	Very low	37.1	Very low	242 Å²	242	155.6 Å²	155.6	91%	0.913	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-66.4	135.3	165.3	-107.4	-177.2	173.6	-176.3	-3.4	109
1261	F	40	Very low	37.3	Very low	199 Å²	199	160.8 Å²	160.8	87%	0.873	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-62.7	142.8	148.4	-106.4	-91.3	0	0	0	108.6
1262	G	47.8	Very low	37.3	Very low	69 Å²	69	163.5 Å²	163.5	71%	0.711	86%	0.862	S	S	*	*			trans	-161.8	14.7	-165.6	0	0	0	0	0	116
1263	L	36.9	Very low	37.6	Very low	230 Å²	230	161.6 Å²	161.6	100%	1.204	86%	0.857	S	S	*	*			trans	-168	0	159.2	-103.2	159.9	0	0	0	107.8

Retrieved 1,263 of 1,263 residues in 493 ms (Link to these results)

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