G4VQZ7_SCHMA Loading...

Pre-rRNA-processing protein TSR1 homolog

Required during maturation of the 40S ribosomal subunit in the nucleolus.

AlphaFold DB , UniProt , Accession G4VQZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 918 aa.

						>G4VQZ7_SCHMA|G4VQZ7
MARAPHRSGPLKQQNKKHKGVKRSTDRNPNSHRVTKNKILNKDQRRLLSKQLRIQKRLEVKKLEASRGTKENPIACVLIPLSSSVPTHLAQLLFQTCEPNTEVIKKPKSCLQNVVTIHSRILNKYFDLICAYSDDLFGCLDLANFADWLILLVPSNPTEIPDSVHELLTAIYAQGFTNASYAVLSSSSNLKELKQILERRFPVPESTIHQLNSSTNALHLLRHIASTNPSSFHAKGKNAKVAGQSTVAHTGARYRTRLLVDSIDLISENNAHDAITESEVAVCLRGRLRGAPLFLFEELDQNGSVLVGPRVHLTGWGDFPLIEAKWIDSYHLQQKWQISDLNAVKNISTKCIPKSTSVKLTNENEDCEEDSLSDEMSVDDSHQSTNENHWDATEEISDHLESELSGNSDIEYTSIASHTAHTMAASATSTFSSAQLAKFRAARMEEMFPDEVETPPNTPASERFVKYCGLPRFQSSVWPAEKNWLPKHYQNIACFRNYHRNRRTMIRYIEQKLANFQSEYKPTGNIFKYIPPGVDVELLLRPVSRDLGESILSHHTFPQPNEARKPSDPRPHPLLVWSLLPHETQMSVCHFTMFRRASAIHAVSDLIVIANAANKITESRENGICALEFGEEASTQVEREDKSIHDALISHRNKIDGKHNGKALYDPKMPIPPEAEPIKSKDLMLIQAGIRRFVAAPIYSAPSNPREKAKFEPFFPASESSTVATVYAPVMYSPVNILQFRIRVTEDEDGELSSPYVGELVATGSLRSVDPSHLIIKRIFLSGHPYKINQRHVVVRYMFHNPADVIHFQSVQLQSKSGAVGHIKEPVGTHGHMKCVFDRPILANDVALMPLYKRVFPKYVYEPVVSKYLANNDRSNDHVVTDSGQFRYVSSDVLQLRKKSISNPAREKMDQDESALFA
					

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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	35.9	Very low	47.6	Very low	239 Å²	239	155.4 Å²	155.4	100%	1.177	85%	0.852	S	S	*	*				0	94.9	0	-70.6	-178.7	178.2	0	0	108.9	R3	M1-R3 PolarHBondContact O-N 3.06Å
2	A	39.5	Very low	48.2	Very low	105 Å²	105	155.8 Å²	155.8	87%	0.868	84%	0.839	S	S	*	*			trans	-66	115.2	174.4	0	0	0	0	0	108.1	A4	A2-A4 PolarHBondContact O-N 3Å; A2-A4 VanDerWaalsContact O-N 3.13Å
3	R	39.9	Very low	48.3	Very low	249 Å²	249	157.6 Å²	157.6	94%	0.94	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-59.1	116.4	178	-81.3	-180	167.2	178.4	-3.8	108.7	M1	M1-R3 PolarHBondContact O-N 3.06Å
4	A	42.3	Very low	48.7	Very low	85 Å²	85	159.6 Å²	159.6	70%	0.702	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-57	137.4	175.4	0	0	0	0	0	110.2	A2 H6	A2-A4 PolarHBondContact O-N 3Å; A2-A4 VanDerWaalsContact O-N 3.13Å; A4-H6 PolarHBondContact O-N 2.73Å
5	P	46.9	Very low	48.7	Very low	121 Å²	121	159.5 Å²	159.5	79%	0.786	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-65.1	127.4	-176	24.7	-32.2	0	0	0	110.8	R7	P5-R7 PolarHBondContact O-N 2.69Å
6	H	47.1	Very low	48.2	Very low	197 Å²	197	161.4 Å²	161.4	91%	0.912	84%	0.841	S	S	*	*			trans	-55.2	106.9	176.1	-89.6	-88.2	0	0	0	110.9	A4	A4-H6 PolarHBondContact O-N 2.73Å
7	R	48.1	Very low	48.1	Very low	245 Å²	245	164.5 Å²	164.5	93%	0.925	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-72.6	124.8	163.5	-87.3	-175	171	-132.2	0.3	108.9	P5	P5-R7 PolarHBondContact O-N 2.69Å
8	S	55.1	Low	47.6	Very low	104 Å²	104	164.9 Å²	164.9	73%	0.727	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-71.5	129.1	177.8	49.8	0	0	0	0	111.3
9	G	57	Low	47.3	Very low	50 Å²	50	167.3 Å²	167.3	52%	0.515	85%	0.847	S	S	.	*	P	Polyproline II helix	trans	-70.2	164.2	176.3	0	0	0	0	0	114.2	L11	G9-L11 VanDerWaalsContact C-N 3.25Å; G9-L11 PolarHBondContact O-N 2.85Å; G9-L11 VanDerWaalsContact O-N 3.1Å
10	P	60.8	Low	46.9	Very low	139 Å²	139	162.3 Å²	162.3	90%	0.903	84%	0.838	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-9.1	-165.3	25.3	-34.3	0	0	0	116
11	L	51.4	Low	46.4	Very low	175 Å²	175	161.1 Å²	161.1	92%	0.916	84%	0.839	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	11.5	-171.6	-77	156	0	0	0	115	G9	G9-L11 VanDerWaalsContact C-N 3.25Å; G9-L11 PolarHBondContact O-N 2.85Å; G9-L11 VanDerWaalsContact O-N 3.1Å
12	K	55	Low	46.5	Very low	160 Å²	160	159.5 Å²	159.5	70%	0.696	83%	0.825	S	S	*	*			trans	-99.5	125.8	-172	-152	179.2	-177.4	-175.5	0	113.6
13	Q	48.8	Very low	46.1	Very low	180 Å²	180	165.5 Å²	165.5	84%	0.841	83%	0.825	S	S	*	*			trans	-62.4	126.2	178.9	-69.7	175.7	-17.2	0	0	112.8	N15	Q13-N15 PolarHBondContact O-N 3.34Å; Q13-N15 VanDerWaalsContact O-N 3.1Å
14	Q	54.4	Low	46	Very low	186 Å²	186	159.5 Å²	159.5	87%	0.869	82%	0.821	S	S	*	*	S	Bend	trans	-64.2	-11.7	-174.6	-69.4	-178.5	-12.8	0	0	115.7	K16	Q14-K16 VanDerWaalsContact C-N 3.35Å; Q14-K16 PolarHBondContact O-N 2.86Å
15	N	47.8	Very low	45.8	Very low	158 Å²	158	161.4 Å²	161.4	85%	0.845	82%	0.824	S	S	*	*			trans	-87.3	22.3	-167.4	-72	-12.5	0	0	0	116.4	Q13	Q13-N15 PolarHBondContact O-N 3.34Å; Q13-N15 VanDerWaalsContact O-N 3.1Å
16	K	41.3	Very low	45.3	Very low	190 Å²	190	163.4 Å²	163.4	83%	0.826	83%	0.828	S	S	*	*			trans	-128.6	89.9	173.5	-76.9	-175	178.1	174.9	0	111.7	Q14	Q14-K16 VanDerWaalsContact C-N 3.35Å; Q14-K16 PolarHBondContact O-N 2.86Å
17	K	46.6	Very low	44.9	Very low	214 Å²	214	165.5 Å²	165.5	93%	0.93	83%	0.828	S	S	*	*			trans	-67	132.7	165	-75.3	-175.7	176.1	-179.3	0	109.9
18	H	39.6	Very low	44.2	Very low	171 Å²	171	161.4 Å²	161.4	79%	0.792	83%	0.825	S	S	*	*			trans	-63.9	137.9	-179.2	-78	-94.5	0	0	0	111.9	G20	H18-G20 PolarHBondContact O-N 2.86Å
19	K	40.5	Very low	43.7	Very low	211 Å²	211	161.6 Å²	161.6	92%	0.917	82%	0.823	S	S	*	*			trans	-67.4	97.5	164.3	-88.6	-179.2	172.4	-179.9	0	108.4	V21	K19-V21 PolarHBondContact O-N 3.22Å
20	G	40	Very low	42.5	Very low	66 Å²	66	167 Å²	167	68%	0.68	84%	0.841	S	S	*	*			trans	-60.6	130	164	0	0	0	0	0	109.8	H18 K22	H18-G20 PolarHBondContact O-N 2.86Å; G20-K22 PolarHBondContact O-N 3.14Å; G20-K22 VanDerWaalsContact O-N 3.17Å
21	V	36.9	Very low	41.3	Very low	139 Å²	139	165.6 Å²	165.6	84%	0.842	83%	0.834	S	S	*	*			trans	-59.5	112.2	179.3	175.1	0	0	0	0	109.1	K19 R23	K19-V21 PolarHBondContact O-N 3.22Å; V21-R23 PolarHBondContact O-N 3.45Å
22	K	36.7	Very low	40.6	Very low	204 Å²	204	165.4 Å²	165.4	89%	0.887	83%	0.828	S	S	*	*			trans	-73.2	111.6	172.9	-75.5	-171.2	174.9	-171.2	0	109	G20	G20-K22 PolarHBondContact O-N 3.14Å; G20-K22 VanDerWaalsContact O-N 3.17Å
23	R	32.7	Very low	39.6	Very low	232 Å²	232	169.5 Å²	169.5	88%	0.875	84%	0.839	S	S	*	*			trans	-64.3	131.7	162.7	-81.5	-179.8	170.1	169.7	-3.8	108.8	V21	V21-R23 PolarHBondContact O-N 3.45Å
24	S	36.5	Very low	39.3	Very low	123 Å²	123	166.7 Å²	166.7	86%	0.86	83%	0.834	S	S	*	*			trans	-77.9	113.1	175.4	176	0	0	0	0	108.8
25	T	38.5	Very low	39	Very low	124 Å²	124	163.2 Å²	163.2	76%	0.761	83%	0.826	S	S	*	*			trans	-112.8	146.9	164.7	47.7	0	0	0	0	109.8
26	D	37.3	Very low	38.9	Very low	163 Å²	163	165.1 Å²	165.1	87%	0.872	83%	0.827	S	S	*	*			trans	-49.2	141.7	-162.2	-73.7	-56.2	0	0	0	117
27	R	37	Very low	39.4	Very low	241 Å²	241	162.4 Å²	162.4	91%	0.909	82%	0.821	S	S	*	*			trans	-93.7	99.7	175.5	-69.9	-178.4	177	173.6	2.6	109.7
28	N	34.6	Very low	40.4	Very low	160 Å²	160	161.6 Å²	161.6	86%	0.856	82%	0.817	S	S	*	*			trans	-67.6	127.2	157.7	-93	-13.4	0	0	0	109.6
29	P	44.4	Very low	41.7	Very low	107 Å²	107	160.7 Å²	160.7	70%	0.695	82%	0.817	S	S	*	*			trans	-91.7	106.9	173.2	33	-23.8	0	0	0	108.1
30	N	32.3	Very low	43.5	Very low	165 Å²	165	154 Å²	154	88%	0.882	79%	0.79	S	S	*	*			trans	161.1	89.7	149.4	-80.6	-17.7	0	0	0	110.4
31	S	34.4	Very low	45.7	Very low	109 Å²	109	155.4 Å²	155.4	76%	0.762	78%	0.783	S	S	*	*	S	Bend	trans	-167.4	127.5	146.1	-171.3	0	0	0	0	110.6
32	H	37	Very low	48.2	Very low	171 Å²	171	156.9 Å²	156.9	79%	0.792	78%	0.778	S	S	*	*			trans	11.9	128	169.9	-59.1	-66.9	0	0	0	121.9	V34	H32-V34 VanDerWaalsContact C-N 3.31Å; H32-V34 PolarHBondContact O-N 3.14Å
33	R	35.1	Very low	50.8	Low	245 Å²	245	152.2 Å²	152.2	93%	0.925	76%	0.762	S	S	*	*			trans	-58.4	73.8	174.1	-167.7	-176.7	-166.4	174.9	3.5	112.8	T35	R33-T35 PolarHBondContact O-N 3.27Å
34	V	41.2	Very low	53.5	Low	121 Å²	121	146 Å²	146	73%	0.733	74%	0.744	S	S	*	*			trans	-66.8	118.8	152.4	-179.7	0	0	0	0	105.8	H32 K36	H32-V34 VanDerWaalsContact C-N 3.31Å; H32-V34 PolarHBondContact O-N 3.14Å; V34-K36 PolarHBondContact O-N 3.41Å
35	T	47.8	Very low	55.9	Low	114 Å²	114	146.5 Å²	146.5	70%	0.699	73%	0.726	S	S	*	*			trans	-50.7	106.2	173.5	35.4	0	0	0	0	108.1	R33 N37	R33-T35 PolarHBondContact O-N 3.27Å; T35-N37 PolarHBondContact O-N 3.09Å
36	K	46	Very low	58.5	Low	198 Å²	198	148.5 Å²	148.5	86%	0.861	72%	0.72	S	S	*	*			trans	-48	111.1	175.8	-70.2	177.1	178.1	174.4	0	107.3	V34 K38	V34-K36 PolarHBondContact O-N 3.41Å; K36-K38 PolarHBondContact O-N 3.32Å
37	N	53.2	Low	61.2	Low	132 Å²	132	145.5 Å²	145.5	71%	0.706	70%	0.703	S	S	*	*			trans	-44.8	109.8	170.3	-76.2	-10.5	0	0	0	106.7	T35 I39	T35-N37 PolarHBondContact O-N 3.09Å; N37-I39 PolarHBondContact O-N 3.22Å
38	K	66.1	Low	63.8	Low	197 Å²	197	137.4 Å²	137.4	86%	0.857	68%	0.678	S	S	*	*			trans	-58.4	106.1	179.9	-98.8	-178.6	175.9	176.3	0	105.9	K36 L40	K36-K38 PolarHBondContact O-N 3.32Å; K38-L40 VanDerWaalsContact C-N 3.3Å; K38-L40 PolarHBondContact O-N 3.13Å
39	I	68.1	Low	66.5	Low	153 Å²	153	133.5 Å²	133.5	79%	0.785	66%	0.663	S	S	*	*			trans	-64.5	99	173.4	-60.6	172.5	0	0	0	105.6	N37 N41	N37-I39 PolarHBondContact O-N 3.22Å; I39-N41 PolarHBondContact O-N 3.33Å
40	L	78.5	Confident	68.9	Low	69 Å²	69	133.9 Å²	133.9	36%	0.361	65%	0.654	S	S	.	*			trans	-57.6	138.4	-178.9	-71.1	158.5	0	0	0	109.9	K38 Q44 R45 L48	K38-L40 VanDerWaalsContact C-N 3.3Å; K38-L40 PolarHBondContact O-N 3.13Å; L40-Q44 HydrophobicContact CB-CB 4.33Å; L40-Q44 HydrophobicContact CD2-CB 4.04Å; L40-R45 HydrophobicContact CB-CG 3.67Å; L40-R45 HydrophobicContact CD1-CG 4.45Å; L40-R45 PolarHBondContact O-NE 2.99Å; L40-R45 PolarHBondContact O-NH2 2.81Å; L40-L48 HydrophobicContact CD1-CD1 3.52Å; L40-L48 HydrophobicContact CD2-CD1 3.99Å; L40-L48 HydrophobicContact CG-CD1 4.38Å
41	N	86	Confident	71.8	Confident	97 Å²	97	130.9 Å²	130.9	52%	0.519	63%	0.634	S	S	.	*			trans	-63.4	155.2	171.8	-169.3	6	0	0	0	110.2	I39 D43 Q44 R45	I39-N41 PolarHBondContact O-N 3.33Å; N41-D43 PolarHBondContact O-N 2.9Å; N41-Q44 HydrophobicContact CB-CG 4.25Å; N41-Q44 WeakPolarHBondContact O-CB 3.47Å; N41-Q44 PolarHBondContact O-N 3.17Å; N41-Q44 VanDerWaalsContact O-N 3.09Å; N41-R45 WeakPolarHBondContact O-CG 2.95Å; N41-R45 PolarHBondContact O-N 3.35Å
42	K	89.2	Confident	74.4	Confident	169 Å²	169	131 Å²	131	74%	0.735	63%	0.626	S	S	*	*	H	α-helix	trans	-52	-41.6	179.7	-173.7	-177.3	176.5	-171.5	0	112.2	R45 R46	K42-R45 PolarHBondContact O-N 2.84Å; K42-R46 PolarHBondContact O-N 3.35Å
43	D	90.3	Very high	76.9	Confident	106 Å²	106	130.6 Å²	130.6	57%	0.567	62%	0.618	S	S	*	*	H	α-helix	trans	-71.6	-38	179.4	-62.9	-34.7	0	0	0	112.7	N41 R46 L47	N41-D43 PolarHBondContact O-N 2.9Å; D43-R46 PolarHBondContact O-N 3.09Å; D43-L47 WeakPolarHBondContact O-CB 3.12Å; D43-L47 PolarHBondContact O-N 2.93Å
44	Q	89.7	Confident	79.6	Confident	103 Å²	103	123.7 Å²	123.7	48%	0.481	60%	0.598	S	S	.	*	H	α-helix	trans	-63.1	-42.6	173.7	-68.1	173.3	-26.5	0	0	111.1	L40 N41 R46 L47 L48	L40-Q44 HydrophobicContact CB-CB 4.33Å; L40-Q44 HydrophobicContact CD2-CB 4.04Å; N41-Q44 HydrophobicContact CB-CG 4.25Å; N41-Q44 WeakPolarHBondContact O-CB 3.47Å; N41-Q44 PolarHBondContact O-N 3.17Å; N41-Q44 VanDerWaalsContact O-N 3.09Å; Q44-R46 VanDerWaalsContact C-N 3.34Å; Q44-R46 PolarHBondContact O-N 3.18Å; Q44-L47 PolarHBondContact O-N 3.23Å; Q44-L48 WeakPolarHBondContact O-CB 3.32Å; Q44-L48 WeakPolarHBondContact O-CG 3.3Å; Q44-L48 PolarHBondContact O-N 2.82Å
45	R	88.1	Confident	81.8	Confident	132 Å²	132	124 Å²	124	50%	0.498	59%	0.591	S	S	.	*	H	α-helix	trans	-60.2	-44.3	173.4	-65.4	-178.9	-156.2	-171.9	1.6	111.3	L40 N41 K42 L47 L48 S49	L40-R45 HydrophobicContact CB-CG 3.67Å; L40-R45 HydrophobicContact CD1-CG 4.45Å; L40-R45 PolarHBondContact O-NE 2.99Å; L40-R45 PolarHBondContact O-NH2 2.81Å; N41-R45 WeakPolarHBondContact O-CG 2.95Å; N41-R45 PolarHBondContact O-N 3.35Å; K42-R45 PolarHBondContact O-N 2.84Å; R45-L47 PolarHBondContact O-N 3.3Å; R45-L48 PolarHBondContact O-N 3.32Å; R45-S49 PolarHBondContact O-N 3.13Å; R45-S49 PolarHBondContact O-OG 2.9Å
46	R	91.3	Very high	83.5	Confident	166 Å²	166	125.5 Å²	125.5	63%	0.626	59%	0.588	S	S	*	*	H	α-helix	trans	-62.9	-41.5	177.9	-169.9	-179.8	-175.5	-171	1	111.9	K42 D43 Q44 K50	K42-R46 PolarHBondContact O-N 3.35Å; D43-R46 PolarHBondContact O-N 3.09Å; Q44-R46 VanDerWaalsContact C-N 3.34Å; Q44-R46 PolarHBondContact O-N 3.18Å; R46-K50 WeakPolarHBondContact O-CG 3.34Å; R46-K50 PolarHBondContact O-N 3.42Å
47	L	94.1	Very high	85.2	Confident	100 Å²	100	123.5 Å²	123.5	52%	0.524	58%	0.575	S	S	.	*	H	α-helix	trans	-65.8	-45.5	177.6	-173.7	66.7	0	0	0	111.4	D43 Q44 R45 S49 K50 Q51	D43-L47 WeakPolarHBondContact O-CB 3.12Å; D43-L47 PolarHBondContact O-N 2.93Å; Q44-L47 PolarHBondContact O-N 3.23Å; R45-L47 PolarHBondContact O-N 3.3Å; L47-S49 PolarHBondContact O-N 2.89Å; L47-K50 WeakPolarHBondContact O-CB 3.47Å; L47-K50 PolarHBondContact O-N 2.76Å; L47-K50 VanDerWaalsContact O-N 3.17Å; L47-Q51 WeakPolarHBondContact O-CG 3.45Å; L47-Q51 PolarHBondContact O-N 2.92Å
48	L	92.7	Very high	86.8	Confident	71 Å²	71	122.6 Å²	122.6	37%	0.372	57%	0.57	S	S	.	*	H	α-helix	trans	-61	-44.6	175.7	-73.8	169	0	0	0	111.9	L40 Q44 R45 K50 Q51 L52	L40-L48 HydrophobicContact CD1-CD1 3.52Å; L40-L48 HydrophobicContact CD2-CD1 3.99Å; L40-L48 HydrophobicContact CG-CD1 4.38Å; Q44-L48 WeakPolarHBondContact O-CB 3.32Å; Q44-L48 WeakPolarHBondContact O-CG 3.3Å; Q44-L48 PolarHBondContact O-N 2.82Å; R45-L48 PolarHBondContact O-N 3.32Å; L48-K50 VanDerWaalsContact C-N 3.29Å; L48-K50 PolarHBondContact O-N 2.91Å; L48-Q51 PolarHBondContact O-N 3.2Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.5Å
49	S	90.7	Very high	87.3	Confident	78 Å²	78	119.4 Å²	119.4	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-62	-36	175	-58.2	0	0	0	0	112.7	R45 L47 R53	R45-S49 PolarHBondContact O-N 3.13Å; R45-S49 PolarHBondContact O-OG 2.9Å; L47-S49 PolarHBondContact O-N 2.89Å; S49-R53 WeakPolarHBondContact O-CB 3.39Å; S49-R53 PolarHBondContact O-N 2.83Å; S49-R53 VanDerWaalsContact O-N 3.09Å
50	K	95.1	Very high	87.6	Confident	116 Å²	116	115 Å²	115	50%	0.504	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-45.7	173.2	-77	179.6	177.2	-174.1	0	111.4	R46 L47 L48 R53 I54	R46-K50 WeakPolarHBondContact O-CG 3.34Å; R46-K50 PolarHBondContact O-N 3.42Å; L47-K50 WeakPolarHBondContact O-CB 3.47Å; L47-K50 PolarHBondContact O-N 2.76Å; L47-K50 VanDerWaalsContact O-N 3.17Å; L48-K50 VanDerWaalsContact C-N 3.29Å; L48-K50 PolarHBondContact O-N 2.91Å; K50-R53 PolarHBondContact O-N 3.5Å; K50-I54 WeakPolarHBondContact O-CG1 3.38Å; K50-I54 PolarHBondContact O-N 3.22Å
51	Q	93.4	Very high	87.6	Confident	101 Å²	101	118.6 Å²	118.6	47%	0.472	55%	0.551	S	S	.	*	H	α-helix	trans	-60.6	-48.2	178.1	-74	174.6	-16.7	0	0	111.5	L47 L48 R53 I54 Q55	L47-Q51 WeakPolarHBondContact O-CG 3.45Å; L47-Q51 PolarHBondContact O-N 2.92Å; L48-Q51 PolarHBondContact O-N 3.2Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 2.9Å; Q51-I54 PolarHBondContact O-N 3.37Å; Q51-I54 VanDerWaalsContact O-N 3.13Å; Q51-Q55 PolarHBondContact O-N 3.17Å
52	L	89	Confident	87.2	Confident	112 Å²	112	120.4 Å²	120.4	59%	0.586	55%	0.554	S	S	*	*	H	α-helix	trans	-58.5	-38.8	175.3	-72.3	172.2	0	0	0	112.3	L48 K56	L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.5Å; L52-K56 WeakPolarHBondContact O-CB 3.43Å; L52-K56 PolarHBondContact O-N 2.83Å
53	R	88.2	Confident	86.4	Confident	163 Å²	163	117 Å²	117	62%	0.615	54%	0.543	S	S	*	.	H	α-helix	trans	-67.1	-39.3	176.6	-170	178.5	-173.9	-177.2	2.7	112.4	S49 K50 Q51 R57	S49-R53 WeakPolarHBondContact O-CB 3.39Å; S49-R53 PolarHBondContact O-N 2.83Å; S49-R53 VanDerWaalsContact O-N 3.09Å; K50-R53 PolarHBondContact O-N 3.5Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 2.9Å; R53-R57 WeakPolarHBondContact O-CB 3.38Å; R53-R57 VanDerWaalsContact O-CG 3.31Å; R53-R57 WeakPolarHBondContact O-CG 3.47Å; R53-R57 PolarHBondContact O-N 2.85Å; R53-R57 VanDerWaalsContact O-N 3.09Å
54	I	92.6	Very high	85.7	Confident	99 Å²	99	115.6 Å²	115.6	51%	0.508	53%	0.533	S	S	.	.	H	α-helix	trans	-66.5	-47.2	176.5	-68.4	166	0	0	0	109.9	K50 Q51 K56 R57 L58	K50-I54 WeakPolarHBondContact O-CG1 3.38Å; K50-I54 PolarHBondContact O-N 3.22Å; Q51-I54 PolarHBondContact O-N 3.37Å; Q51-I54 VanDerWaalsContact O-N 3.13Å; I54-K56 PolarHBondContact O-N 3.09Å; I54-R57 WeakPolarHBondContact O-CB 3.45Å; I54-R57 PolarHBondContact O-N 3.02Å; I54-R57 VanDerWaalsContact O-N 3.15Å; I54-L58 HydrophobicContact CG2-CD1 4.13Å; I54-L58 HydrophobicContact CG2-CG 4.45Å; I54-L58 WeakPolarHBondContact O-CG 3.39Å; I54-L58 PolarHBondContact O-N 3.02Å
55	Q	87	Confident	85.1	Confident	128 Å²	128	113.6 Å²	113.6	60%	0.598	54%	0.535	S	S	*	.	H	α-helix	trans	-58.1	-48.8	177.7	-175.2	176.5	5	0	0	111.5	Q51 R57 L58 E59	Q51-Q55 PolarHBondContact O-N 3.17Å; Q55-R57 VanDerWaalsContact C-N 3.28Å; Q55-R57 PolarHBondContact O-N 2.93Å; Q55-L58 PolarHBondContact O-N 3.46Å; Q55-L58 VanDerWaalsContact O-N 3.14Å; Q55-E59 WeakPolarHBondContact O-CB 3.16Å; Q55-E59 PolarHBondContact O-N 2.86Å
56	K	83.3	Confident	84.6	Confident	145 Å²	145	109.8 Å²	109.8	63%	0.63	53%	0.528	S	S	*	.	H	α-helix	trans	-60.8	-35.7	177.1	-169.7	169.8	-175	171.8	0	112.7	L52 I54 V60	L52-K56 WeakPolarHBondContact O-CB 3.43Å; L52-K56 PolarHBondContact O-N 2.83Å; I54-K56 PolarHBondContact O-N 3.09Å; K56-V60 VanDerWaalsContact O-CG2 3.28Å; K56-V60 WeakPolarHBondContact O-CG2 3.32Å; K56-V60 PolarHBondContact O-N 3.49Å
57	R	82.8	Confident	84.2	Confident	156 Å²	156	103.1 Å²	103.1	59%	0.589	50%	0.503	S	S	*	.	H	α-helix	trans	-67.6	-42.4	174.1	-78.9	174.6	171.6	-176.4	-5.1	112.4	R53 I54 Q55 E59 V60 K61	R53-R57 WeakPolarHBondContact O-CB 3.38Å; R53-R57 VanDerWaalsContact O-CG 3.31Å; R53-R57 WeakPolarHBondContact O-CG 3.47Å; R53-R57 PolarHBondContact O-N 2.85Å; R53-R57 VanDerWaalsContact O-N 3.09Å; I54-R57 WeakPolarHBondContact O-CB 3.45Å; I54-R57 PolarHBondContact O-N 3.02Å; I54-R57 VanDerWaalsContact O-N 3.15Å; Q55-R57 VanDerWaalsContact C-N 3.28Å; Q55-R57 PolarHBondContact O-N 2.93Å; R57-E59 VanDerWaalsContact C-N 3.32Å; R57-V60 PolarHBondContact O-N 3.47Å; R57-K61 WeakPolarHBondContact O-CB 3.06Å; R57-K61 PolarHBondContact O-N 3.23Å
58	L	87.4	Confident	83.9	Confident	113 Å²	113	98.4 Å²	98.4	59%	0.592	48%	0.478	S	S	*	.	H	α-helix	trans	-64.2	-39.3	176.9	-70.9	173.9	0	0	0	111.4	I54 Q55 K61 K62	I54-L58 HydrophobicContact CG2-CD1 4.13Å; I54-L58 HydrophobicContact CG2-CG 4.45Å; I54-L58 WeakPolarHBondContact O-CG 3.39Å; I54-L58 PolarHBondContact O-N 3.02Å; Q55-L58 PolarHBondContact O-N 3.46Å; Q55-L58 VanDerWaalsContact O-N 3.14Å; L58-K61 PolarHBondContact O-N 3.31Å; L58-K62 WeakPolarHBondContact O-CB 3.23Å; L58-K62 PolarHBondContact O-N 3.1Å
59	E	76.2	Confident	83.7	Confident	131 Å²	131	97.4 Å²	97.4	61%	0.612	48%	0.475	S	S	*	.	H	α-helix	trans	-63.2	-47.1	175.5	-172.4	-178.1	-177.5	0	0	112.1	Q55 R57 K61 K62 L63	Q55-E59 WeakPolarHBondContact O-CB 3.16Å; Q55-E59 PolarHBondContact O-N 2.86Å; R57-E59 VanDerWaalsContact C-N 3.32Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 3.49Å; E59-K62 WeakPolarHBondContact O-CB 3.25Å; E59-K62 PolarHBondContact O-N 3.33Å; E59-L63 PolarHBondContact O-N 3.4Å
60	V	72.8	Confident	83.5	Confident	59 Å²	59	100.2 Å²	100.2	36%	0.358	48%	0.478	S	S	.	.	H	α-helix	trans	-60.3	-44.1	174.4	171.2	0	0	0	0	111	K56 R57 K62 L63 E64	K56-V60 VanDerWaalsContact O-CG2 3.28Å; K56-V60 WeakPolarHBondContact O-CG2 3.32Å; K56-V60 PolarHBondContact O-N 3.49Å; R57-V60 PolarHBondContact O-N 3.47Å; V60-K62 VanDerWaalsContact C-N 3.32Å; V60-K62 PolarHBondContact O-N 2.92Å; V60-L63 WeakPolarHBondContact O-CB 3.44Å; V60-L63 PolarHBondContact O-N 3.05Å; V60-L63 VanDerWaalsContact O-N 3.17Å; V60-E64 HydrophobicContact CG1-CG 4.4Å; V60-E64 WeakPolarHBondContact O-CG 3.49Å; V60-E64 PolarHBondContact O-N 3.23Å
61	K	80.1	Confident	83	Confident	145 Å²	145	100.3 Å²	100.3	63%	0.63	48%	0.48	S	S	*	.	H	α-helix	trans	-63	-37.8	177.2	-170.5	177.4	-178.6	-178.9	0	112.2	R57 L58 E59 A65	R57-K61 WeakPolarHBondContact O-CB 3.06Å; R57-K61 PolarHBondContact O-N 3.23Å; L58-K61 PolarHBondContact O-N 3.31Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 3.49Å; K61-A65 VanDerWaalsContact O-CB 3.31Å; K61-A65 WeakPolarHBondContact O-CB 3.47Å; K61-A65 PolarHBondContact O-N 3.1Å
62	K	77.3	Confident	82.7	Confident	136 Å²	136	97.9 Å²	97.9	59%	0.591	47%	0.47	S	S	*	.	H	α-helix	trans	-64.7	-41.9	174.4	-172.4	-177.6	178.5	-172.9	0	110.8	L58 E59 V60 A65 S66	L58-K62 WeakPolarHBondContact O-CB 3.23Å; L58-K62 PolarHBondContact O-N 3.1Å; E59-K62 WeakPolarHBondContact O-CB 3.25Å; E59-K62 PolarHBondContact O-N 3.33Å; V60-K62 VanDerWaalsContact C-N 3.32Å; V60-K62 PolarHBondContact O-N 2.92Å; K62-A65 PolarHBondContact O-N 3.27Å; K62-S66 WeakPolarHBondContact O-CB 3.49Å; K62-S66 PolarHBondContact O-N 2.78Å; K62-S66 PolarHBondContact O-OG 3Å
63	L	72.2	Confident	82.8	Confident	97 Å²	97	92.6 Å²	92.6	51%	0.508	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-48.3	176.2	-172.2	70.3	0	0	0	111.4	E59 V60 A65 S66 R67	E59-L63 PolarHBondContact O-N 3.4Å; V60-L63 WeakPolarHBondContact O-CB 3.44Å; V60-L63 PolarHBondContact O-N 3.05Å; V60-L63 VanDerWaalsContact O-N 3.17Å; L63-A65 VanDerWaalsContact C-N 3.3Å; L63-A65 PolarHBondContact O-N 3.3Å; L63-S66 WeakPolarHBondContact CA-OG 3.43Å; L63-S66 PolarHBondContact O-N 3.4Å; L63-S66 VanDerWaalsContact O-N 3.12Å; L63-S66 PolarHBondContact O-OG 3.35Å; L63-R67 WeakPolarHBondContact O-CG 3.4Å; L63-R67 PolarHBondContact O-N 2.94Å; L63-R67 VanDerWaalsContact O-N 3.15Å
64	E	74.8	Confident	83	Confident	76 Å²	76	85 Å²	85	36%	0.355	41%	0.414	S	S	.	.	H	α-helix	trans	-58.4	-39.7	174.7	-73.9	172.4	176.7	0	0	112.6	V60 R67 K124 N228	V60-E64 HydrophobicContact CG1-CG 4.4Å; V60-E64 WeakPolarHBondContact O-CG 3.49Å; V60-E64 PolarHBondContact O-N 3.23Å; E64-R67 PolarHBondContact O-N 2.87Å; E64-K124 PolarHBondContact O-NZ 3.4Å; E64-K124 VanDerWaalsContact O-NZ 3.08Å; E64-N228 WeakPolarHBondContact CG-OD1 3.44Å; E64-N228 PolarHBondContact OE1-ND2 2.98Å
65	A	78.6	Confident	82.9	Confident	62 Å²	62	80.3 Å²	80.3	51%	0.512	39%	0.39	S	S	.	.	H	α-helix	trans	-66.8	-37	175.6	0	0	0	0	0	112.2	K61 K62 L63 R67	K61-A65 VanDerWaalsContact O-CB 3.31Å; K61-A65 WeakPolarHBondContact O-CB 3.47Å; K61-A65 PolarHBondContact O-N 3.1Å; K62-A65 PolarHBondContact O-N 3.27Å; L63-A65 VanDerWaalsContact C-N 3.3Å; L63-A65 PolarHBondContact O-N 3.3Å; A65-R67 VanDerWaalsContact C-N 3.32Å; A65-R67 PolarHBondContact O-N 2.81Å
66	S	78	Confident	83.3	Confident	51 Å²	51	74.2 Å²	74.2	36%	0.357	36%	0.361	S	S	.	.	H	α-helix	trans	-74	-17.7	179.2	71.4	0	0	0	0	114.7	K62 L63	K62-S66 WeakPolarHBondContact O-CB 3.49Å; K62-S66 PolarHBondContact O-N 2.78Å; K62-S66 PolarHBondContact O-OG 3Å; L63-S66 WeakPolarHBondContact CA-OG 3.43Å; L63-S66 PolarHBondContact O-N 3.4Å; L63-S66 VanDerWaalsContact O-N 3.12Å; L63-S66 PolarHBondContact O-OG 3.35Å
67	R	82.6	Confident	83.7	Confident	27 Å²	27	67.3 Å²	67.3	10%	0.102	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	136.5	177.9	-72.4	174.7	69.1	-145.1	-3.3	111.1	L63 E64 A65 T69 K124 T227 N228	L63-R67 WeakPolarHBondContact O-CG 3.4Å; L63-R67 PolarHBondContact O-N 2.94Å; L63-R67 VanDerWaalsContact O-N 3.15Å; E64-R67 PolarHBondContact O-N 2.87Å; A65-R67 VanDerWaalsContact C-N 3.32Å; A65-R67 PolarHBondContact O-N 2.81Å; R67-T69 VanDerWaalsContact C-N 3.35Å; R67-K124 WeakPolarHBondContact O-CD 3.43Å; R67-K124 PolarHBondContact O-NZ 3.37Å; R67-T227 PolarHBondContact NH1-O 2.71Å; R67-T227 PolarHBondContact NH2-O 3.46Å; R67-N228 PolarHBondContact NH1-OD1 2.91Å
68	G	87.2	Confident	84.3	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.01	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	29.1	176.8	0	0	0	0	0	113.5	N72 K124 Y125	G68-N72 VanDerWaalsContact CA-O 3.28Å; G68-N72 WeakPolarHBondContact CA-O 3.49Å; G68-N72 PolarHBondContact N-O 3.37Å; G68-K124 CarbonylContact O-C 3.52Å; G68-K124 VanDerWaalsContact O-CA 3.31Å; G68-K124 WeakPolarHBondContact O-CA 3.46Å; G68-Y125 PolarHBondContact O-N 3.08Å
69	T	89.5	Confident	84.5	Confident	50 Å²	50	54.5 Å²	54.5	31%	0.307	28%	0.275	S	S	.	.			trans	-80.2	169	167.5	58.3	0	0	0	0	109.6	R67 E71 N72 P73	R67-T69 VanDerWaalsContact C-N 3.35Å; T69-E71 PolarHBondContact O-N 3.1Å; T69-N72 PolarHBondContact N-O 3.48Å; T69-N72 CarbonylContact O-C 3.6Å; T69-N72 PolarHBondContact O-N 3.41Å; T69-N72 PolarHBondContact OG1-N 3.48Å; T69-N72 VanDerWaalsContact OG1-N 3.1Å; T69-P73 WeakPolarHBondContact O-CA 3.31Å
70	K	86.2	Confident	85.3	Confident	137 Å²	137	48.5 Å²	48.5	60%	0.596	25%	0.248	S	C	*	.	S	Bend	trans	-58.7	-37.3	176.1	-174.2	178.4	177.3	-178.1	0	112.5	Y125	K70-Y125 HydrophobicContact CB-CD1 4.38Å; K70-Y125 HydrophobicContact CB-CD2 4.2Å; K70-Y125 HydrophobicContact CB-CE1 4.03Å; K70-Y125 HydrophobicContact CB-CE2 3.87Å; K70-Y125 HydrophobicContact CB-CG 4.46Å; K70-Y125 HydrophobicContact CG-CD1 4.42Å; K70-Y125 HydrophobicContact CG-CE1 3.92Å
71	E	84.2	Confident	86.1	Confident	117 Å²	117	45.7 Å²	45.7	55%	0.547	23%	0.231	S	C	.	.	S	Bend	trans	-75.6	-36.3	178.4	-63.8	174.5	177.3	0	0	111.6	T69 P73 G533	T69-E71 PolarHBondContact O-N 3.1Å; E71-P73 VanDerWaalsContact C-CD 3.47Å; E71-P73 WeakPolarHBondContact O-CD 3.44Å; E71-G533 WeakPolarHBondContact O-CA 3.5Å
72	N	86.9	Confident	86.4	Confident	51 Å²	51	39.2 Å²	39.2	27%	0.273	20%	0.204	S	C	.	.	S	Bend	trans	-126.5	71.4	-179	-168.6	37.5	0	0	0	111.7	G68 T69	G68-N72 VanDerWaalsContact CA-O 3.28Å; G68-N72 WeakPolarHBondContact CA-O 3.49Å; G68-N72 PolarHBondContact N-O 3.37Å; T69-N72 PolarHBondContact N-O 3.48Å; T69-N72 CarbonylContact O-C 3.6Å; T69-N72 PolarHBondContact O-N 3.41Å; T69-N72 PolarHBondContact OG1-N 3.48Å; T69-N72 VanDerWaalsContact OG1-N 3.1Å
73	P	91.5	Very high	86.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.			trans	-65.8	150.9	176.7	27.7	-35	0	0	0	111.1	T69 E71 A75 Y125 D127	T69-P73 WeakPolarHBondContact O-CA 3.31Å; E71-P73 VanDerWaalsContact C-CD 3.47Å; E71-P73 WeakPolarHBondContact O-CD 3.44Å; P73-A75 PolarHBondContact O-N 3.48Å; P73-Y125 WeakPolarHBondContact CA-O 3.5Å; P73-D127 HydrophobicContact CB-CB 4.45Å; P73-D127 WeakPolarHBondContact CB-OD1 3.46Å; P73-D127 HydrophobicContact CG-CB 4.39Å; P73-D127 WeakPolarHBondContact CG-OD1 3.26Å; P73-D127 WeakPolarHBondContact CG-OD2 3.43Å
74	I	91.5	Very high	87.2	Confident	4 Å²	4	36 Å²	36	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	122.6	177.4	-62	168.9	0	0	0	109	C76 Y125 F126 D127 D147 I224	I74-C76 PolarHBondContact O-N 3.13Å; I74-Y125 PolarHBondContact N-O 2.95Å; I74-F126 HydrophobicContact CB-CD1 3.8Å; I74-F126 HydrophobicContact CB-CE1 4.28Å; I74-F126 HydrophobicContact CD1-CD1 4.16Å; I74-F126 HydrophobicContact CD1-CE1 3.76Å; I74-F126 HydrophobicContact CD1-CZ 4.37Å; I74-F126 HydrophobicContact CG2-CD1 4.17Å; I74-F126 CarbonylContact O-C 3.58Å; I74-F126 WeakPolarHBondContact O-CA 3.42Å; I74-D127 PolarHBondContact O-N 3.14Å; I74-D147 HydrophobicContact CG2-CB 4.16Å; I74-I224 HydrophobicContact CG2-CG2 4.02Å
75	A	91.8	Very high	87.8	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	104.5	-178.6	0	0	0	0	0	111.7	P73 D147 W148	P73-A75 PolarHBondContact O-N 3.48Å; A75-D147 HydrophobicContact CB-CB 4.29Å; A75-D147 WeakPolarHBondContact CB-OD2 3.41Å; A75-D147 PolarHBondContact N-OD2 3.29Å; A75-D147 PolarHBondContact O-N 2.98Å; A75-W148 PolarHBondContact O-N 2.99Å
76	C	93.6	Very high	88.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.6	177.2	-65.2	0	0	0	0	110.3	I74 D127 L128 I129 W148 I150	I74-C76 PolarHBondContact O-N 3.13Å; C76-D127 PolarHBondContact N-O 3.48Å; C76-L128 HydrophobicContact CB-CD2 3.96Å; C76-L128 WeakPolarHBondContact O-CA 3.34Å; C76-I129 PolarHBondContact O-N 3.31Å; C76-W148 WeakPolarHBondContact CA-O 3.1Å; C76-I150 HydrophobicContact CB-CD1 4.22Å
77	V	93.4	Very high	88.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.9	175.8	177.8	0	0	0	0	109.5	I79 I129 A131 L142 A146 W148 L149 I150	V77-I79 HydrophobicContact CG1-CD1 4.41Å; V77-I79 HydrophobicContact CG1-CG1 3.86Å; V77-I129 CarbonylContact C-O 3.54Å; V77-I129 WeakPolarHBondContact CA-O 3.28Å; V77-I129 HydrophobicContact CG2-CB 4.24Å; V77-I129 HydrophobicContact CG2-CD1 4.45Å; V77-A131 HydrophobicContact CG1-CB 4.26Å; V77-L142 HydrophobicContact CG1-CB 3.81Å; V77-L142 HydrophobicContact CG1-CD1 4.34Å; V77-L142 HydrophobicContact CG2-CB 4.17Å; V77-A146 HydrophobicContact CB-CB 4.11Å; V77-A146 HydrophobicContact CG2-CB 3.6Å; V77-W148 PolarHBondContact N-O 2.87Å; V77-L149 HydrophobicContact CB-CD2 3.85Å; V77-L149 HydrophobicContact CG1-CD2 4.28Å; V77-I150 PolarHBondContact O-N 3.27Å
78	L	94.2	Very high	88.8	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.9	174.7	-53.2	179.6	0	0	0	108.6	A90 Q91 F94 I129 A131 I150 L152	L78-A90 HydrophobicContact CD1-CB 4.12Å; L78-Q91 HydrophobicContact CD1-CG 3.52Å; L78-F94 HydrophobicContact CD2-CE2 3.91Å; L78-I129 PolarHBondContact N-O 2.69Å; L78-A131 PolarHBondContact O-N 2.96Å; L78-I150 WeakPolarHBondContact CA-O 3.45Å; L78-I150 HydrophobicContact CD2-CB 3.68Å; L78-I150 HydrophobicContact CD2-CD1 3.7Å; L78-I150 HydrophobicContact CD2-CG1 4.17Å; L78-I150 HydrophobicContact CD2-CG2 3.95Å; L78-L152 HydrophobicContact CB-CD1 4.37Å
79	I	92.7	Very high	89	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.4	177.5	-56	-177.8	0	0	0	108.4	V77 A131 L149 I150 L151 L152 L167 I171	V77-I79 HydrophobicContact CG1-CD1 4.41Å; V77-I79 HydrophobicContact CG1-CG1 3.86Å; I79-A131 HydrophobicContact CB-CB 4.47Å; I79-A131 HydrophobicContact CG1-CB 3.94Å; I79-L149 HydrophobicContact CD1-CD1 4.45Å; I79-L149 HydrophobicContact CD1-CD2 3.82Å; I79-L149 HydrophobicContact CG1-CD2 4.46Å; I79-I150 PolarHBondContact N-O 3.23Å; I79-L151 HydrophobicContact CB-CD2 3.93Å; I79-L151 HydrophobicContact CD1-CD2 4.16Å; I79-L151 HydrophobicContact CG1-CD2 4.43Å; I79-L151 HydrophobicContact CG2-CD2 4.41Å; I79-L152 PolarHBondContact O-N 2.67Å; I79-L167 HydrophobicContact CG2-CD2 4.06Å; I79-I171 HydrophobicContact CD1-CD1 3.91Å
80	P	91.8	Very high	89.1	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.032	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.8	172.3	30.3	-31.4	0	0	0	110.1	S82 V85 T87	P80-S82 PolarHBondContact O-N 2.93Å; P80-V85 HydrophobicContact CB-CB 4.4Å; P80-T87 HydrophobicContact CB-CG2 3.72Å; P80-T87 HydrophobicContact CG-CG2 3.55Å
81	L	89.2	Confident	89.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-82.2	0.8	173.1	-58.2	-171.5	0	0	0	112.7	L151 L152 V153 V164 L168 Y181	L81-L151 HydrophobicContact CD2-CB 4.31Å; L81-L151 HydrophobicContact CD2-CD2 4.4Å; L81-L151 HydrophobicContact CG-CB 4.49Å; L81-L152 WeakPolarHBondContact CB-O 3.32Å; L81-L152 WeakPolarHBondContact CG-O 3.31Å; L81-L152 PolarHBondContact N-O 2.84Å; L81-V153 HydrophobicContact CD1-CB 4.45Å; L81-V153 HydrophobicContact CD1-CG2 3.87Å; L81-V164 HydrophobicContact CB-CG1 4.22Å; L81-V164 HydrophobicContact CB-CG2 4.33Å; L81-V164 HydrophobicContact CD1-CG1 4.49Å; L81-V164 HydrophobicContact CD2-CG1 3.97Å; L81-V164 HydrophobicContact CG-CG1 4.46Å; L81-V164 WeakPolarHBondContact O-CG2 3.47Å; L81-L168 HydrophobicContact CD2-CD1 4.5Å; L81-L168 HydrophobicContact CD2-CD2 4.1Å; L81-L168 HydrophobicContact CD2-CG 4.49Å; L81-Y181 HydrophobicContact CD1-CE1 4.45Å
82	S	86.6	Confident	89.6	Confident	10 Å²	10	29.2 Å²	29.2	7%	0.07	17%	0.168	C	C	.	.	S	Bend	trans	-159.9	147.8	174.7	178.8	0	0	0	0	108.3	P80 S84 V85 E159	P80-S82 PolarHBondContact O-N 2.93Å; S82-S84 PolarHBondContact O-N 3.01Å; S82-S84 PolarHBondContact OG-N 2.88Å; S82-V85 PolarHBondContact O-N 3.41Å; S82-E159 PolarHBondContact OG-O 3.44Å; S82-E159 VanDerWaalsContact OG-O 3.12Å
83	S	82.6	Confident	89.9	Confident	96 Å²	96	28 Å²	28	67%	0.671	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.5	173.5	56.6	0	0	0	0	112.5	V85	S83-V85 PolarHBondContact O-N 3.22Å
84	S	84.6	Confident	90	Very high	69 Å²	69	28 Å²	28	48%	0.483	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.3	171.8	-178.8	0	0	0	0	113.3	S82 P86 E159	S82-S84 PolarHBondContact O-N 3.01Å; S82-S84 PolarHBondContact OG-N 2.88Å; S84-P86 VanDerWaalsContact O-CD 3.24Å; S84-P86 WeakPolarHBondContact O-CD 3.39Å; S84-E159 WeakPolarHBondContact CB-OE2 3.5Å; S84-E159 PolarHBondContact OG-OE2 3.39Å
85	V	87.7	Confident	90	Very high	12 Å²	12	28.9 Å²	28.9	7%	0.073	17%	0.166	C	C	.	.	S	Bend	trans	-92.4	112.1	-171.6	-174.7	0	0	0	0	111.6	P80 S82 S83 T87 L152 P154 L184	P80-V85 HydrophobicContact CB-CB 4.4Å; S82-V85 PolarHBondContact O-N 3.41Å; S83-V85 PolarHBondContact O-N 3.22Å; V85-T87 PolarHBondContact O-N 2.69Å; V85-T87 VanDerWaalsContact O-N 3.1Å; V85-L152 HydrophobicContact CG1-CB 3.68Å; V85-L152 HydrophobicContact CG1-CD1 4.27Å; V85-P154 HydrophobicContact CG2-CB 3.76Å; V85-L184 HydrophobicContact CG1-CD1 3.73Å; V85-L184 HydrophobicContact CG1-CG 4.45Å
86	P	86.7	Confident	89.9	Confident	48 Å²	48	32.5 Å²	32.5	31%	0.312	19%	0.188	S	C	.	.			trans	-73.2	106.1	-179.1	27.6	-33.6	0	0	0	112	S84 H88 L89 L184	S84-P86 VanDerWaalsContact O-CD 3.24Å; S84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-H88 VanDerWaalsContact C-N 3.27Å; P86-H88 WeakPolarHBondContact CB-CE1 3.26Å; P86-H88 PolarHBondContact O-N 3.14Å; P86-L89 HydrophobicContact CB-CB 4.18Å; P86-L89 HydrophobicContact CG-CB 4.03Å; P86-L89 HydrophobicContact CG-CD1 4.45Å; P86-L89 PolarHBondContact O-N 3.31Å; P86-L184 HydrophobicContact CG-CD1 4.09Å
87	T	87.4	Confident	89.7	Confident	24 Å²	24	33 Å²	33	15%	0.147	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-32.2	175.8	57.7	0	0	0	0	113	P80 V85 L89 A90 Q91 L152	P80-T87 HydrophobicContact CB-CG2 3.72Å; P80-T87 HydrophobicContact CG-CG2 3.55Å; V85-T87 PolarHBondContact O-N 2.69Å; V85-T87 VanDerWaalsContact O-N 3.1Å; T87-L89 VanDerWaalsContact C-N 3.29Å; T87-L89 PolarHBondContact O-N 2.93Å; T87-A90 WeakPolarHBondContact O-CB 3.47Å; T87-A90 PolarHBondContact O-N 3.38Å; T87-Q91 PolarHBondContact O-N 2.89Å; T87-L152 HydrophobicContact CG2-CD1 4.13Å
88	H	86.4	Confident	89.5	Confident	112 Å²	112	33.6 Å²	33.6	52%	0.519	19%	0.194	S	C	.	.	H	α-helix	trans	-62.1	-36.2	177.9	73.2	-91.2	0	0	0	112.1	P86 Q91 L92	P86-H88 VanDerWaalsContact C-N 3.27Å; P86-H88 WeakPolarHBondContact CB-CE1 3.26Å; P86-H88 PolarHBondContact O-N 3.14Å; H88-Q91 WeakPolarHBondContact O-CB 3.27Å; H88-Q91 PolarHBondContact O-N 3.15Å; H88-L92 WeakPolarHBondContact O-CG 3.32Å; H88-L92 PolarHBondContact O-N 2.93Å
89	L	90.2	Very high	89	Confident	68 Å²	68	39.8 Å²	39.8	36%	0.356	24%	0.235	S	C	.	.	H	α-helix	trans	-67.5	-42.1	178.9	-171.3	152.6	0	0	0	110.4	P86 T87 Q91 L92 L93 L184	P86-L89 HydrophobicContact CB-CB 4.18Å; P86-L89 HydrophobicContact CG-CB 4.03Å; P86-L89 HydrophobicContact CG-CD1 4.45Å; P86-L89 PolarHBondContact O-N 3.31Å; T87-L89 VanDerWaalsContact C-N 3.29Å; T87-L89 PolarHBondContact O-N 2.93Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 3.09Å; L89-L92 PolarHBondContact O-N 2.93Å; L89-L93 HydrophobicContact CD2-CD1 3.59Å; L89-L93 HydrophobicContact CD2-CG 4.07Å; L89-L93 WeakPolarHBondContact O-CG 2.87Å; L89-L93 PolarHBondContact O-N 3.25Å; L89-L184 HydrophobicContact CD2-CD1 4.17Å; L89-L184 HydrophobicContact CD2-CD2 3.83Å; L89-L184 HydrophobicContact CD2-CG 4.41Å
90	A	91.2	Very high	88.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.6	-46.5	172.5	0	0	0	0	0	111.2	L78 T87 L92 L93 F94 L152 L184 L211	L78-A90 HydrophobicContact CD1-CB 4.12Å; T87-A90 WeakPolarHBondContact O-CB 3.47Å; T87-A90 PolarHBondContact O-N 3.38Å; A90-L92 VanDerWaalsContact C-N 3.34Å; A90-L92 PolarHBondContact O-N 2.96Å; A90-L93 PolarHBondContact O-N 3.46Å; A90-F94 WeakPolarHBondContact O-CD2 3.48Å; A90-F94 PolarHBondContact O-N 2.96Å; A90-F94 VanDerWaalsContact O-N 3.11Å; A90-L152 HydrophobicContact CB-CD1 3.82Å; A90-L152 HydrophobicContact CB-CD2 4.05Å; A90-L184 HydrophobicContact CB-CD2 4.01Å; A90-L211 HydrophobicContact CB-CD2 3.81Å
91	Q	90.4	Very high	88.2	Confident	26 Å²	26	46.1 Å²	46.1	12%	0.121	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-41.7	175.1	-72.8	-171.2	-38	0	0	112.5	L78 T87 H88 L89 F94 Q95 C130	L78-Q91 HydrophobicContact CD1-CG 3.52Å; T87-Q91 PolarHBondContact O-N 2.89Å; H88-Q91 WeakPolarHBondContact O-CB 3.27Å; H88-Q91 PolarHBondContact O-N 3.15Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 3.09Å; Q91-F94 PolarHBondContact O-N 3.46Å; Q91-Q95 WeakPolarHBondContact O-CB 3.44Å; Q91-Q95 VanDerWaalsContact O-CG 3.24Å; Q91-Q95 WeakPolarHBondContact O-CG 3.35Å; Q91-Q95 PolarHBondContact O-N 2.99Å; Q91-Q95 PolarHBondContact O-NE2 3.28Å; Q91-C130 WeakPolarHBondContact CG-SG 3.41Å; Q91-C130 PolarHBondContact NE2-SG 3.12Å
92	L	90.7	Very high	88.1	Confident	88 Å²	88	50.4 Å²	50.4	46%	0.461	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-42.4	177.9	-73.1	172.6	0	0	0	111.6	H88 L89 A90 F94 Q95 T96	H88-L92 WeakPolarHBondContact O-CG 3.32Å; H88-L92 PolarHBondContact O-N 2.93Å; L89-L92 PolarHBondContact O-N 2.93Å; A90-L92 VanDerWaalsContact C-N 3.34Å; A90-L92 PolarHBondContact O-N 2.96Å; L92-F94 VanDerWaalsContact C-N 3.33Å; L92-F94 PolarHBondContact O-N 3.09Å; L92-Q95 WeakPolarHBondContact O-CB 3.49Å; L92-Q95 PolarHBondContact O-N 3.03Å; L92-Q95 VanDerWaalsContact O-N 3.14Å; L92-T96 WeakPolarHBondContact O-CG2 3.43Å; L92-T96 PolarHBondContact O-N 2.75Å; L92-T96 PolarHBondContact O-OG1 3.09Å
93	L	93.1	Very high	88.1	Confident	25 Å²	25	52.5 Å²	52.5	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-37.4	176.9	-73.1	174.3	0	0	0	112.8	L89 A90 C97 L184 L211 A217	L89-L93 HydrophobicContact CD2-CD1 3.59Å; L89-L93 HydrophobicContact CD2-CG 4.07Å; L89-L93 WeakPolarHBondContact O-CG 2.87Å; L89-L93 PolarHBondContact O-N 3.25Å; A90-L93 PolarHBondContact O-N 3.46Å; L93-C97 PolarHBondContact O-N 3.21Å; L93-C97 VanDerWaalsContact O-N 3.16Å; L93-L184 HydrophobicContact CD1-CD2 4.2Å; L93-L211 HydrophobicContact CB-CD1 4.45Å; L93-L211 HydrophobicContact CD1-CD1 4.47Å; L93-L211 HydrophobicContact CD1-CG 3.98Å; L93-L211 WeakPolarHBondContact CD1-O 3.46Å; L93-A217 HydrophobicContact CB-CB 4.33Å; L93-A217 WeakPolarHBondContact O-CB 3.38Å
94	F	93.5	Very high	88.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-71.1	-33.9	173	-71.5	-60.1	0	0	0	112.5	L78 A90 Q91 L92 C97 I117 L128 I150 L211 A217 L220 L221	L78-F94 HydrophobicContact CD2-CE2 3.91Å; A90-F94 WeakPolarHBondContact O-CD2 3.48Å; A90-F94 PolarHBondContact O-N 2.96Å; A90-F94 VanDerWaalsContact O-N 3.11Å; Q91-F94 PolarHBondContact O-N 3.46Å; L92-F94 VanDerWaalsContact C-N 3.33Å; L92-F94 PolarHBondContact O-N 3.09Å; F94-C97 PolarHBondContact O-SG 3.05Å; F94-I117 HydrophobicContact CB-CD1 4.09Å; F94-L128 HydrophobicContact CB-CD1 3.58Å; F94-L128 HydrophobicContact CD2-CD1 4.24Å; F94-L128 HydrophobicContact CD2-CD2 4.33Å; F94-L128 HydrophobicContact CG-CD1 4.23Å; F94-I150 HydrophobicContact CE2-CD1 4.06Å; F94-I150 HydrophobicContact CZ-CD1 3.8Å; F94-L211 HydrophobicContact CE1-CD1 3.98Å; F94-L211 HydrophobicContact CE2-CD1 4.25Å; F94-L211 HydrophobicContact CE2-CD2 3.73Å; F94-L211 HydrophobicContact CZ-CD1 3.79Å; F94-L211 HydrophobicContact CZ-CD2 3.87Å; F94-A217 HydrophobicContact CD1-CB 3.79Å; F94-A217 HydrophobicContact CE1-CB 4.03Å; F94-L220 HydrophobicContact CE1-CB 4.48Å; F94-L220 HydrophobicContact CE1-CD2 4.27Å; F94-L220 HydrophobicContact CE1-CG 4.5Å; F94-L220 HydrophobicContact CZ-CD2 3.82Å; F94-L220 HydrophobicContact CZ-CG 4.45Å; F94-L221 HydrophobicContact CD1-CD1 3.98Å; F94-L221 HydrophobicContact CD1-CD2 3.84Å; F94-L221 HydrophobicContact CD1-CG 3.75Å; F94-L221 HydrophobicContact CE1-CD2 3.94Å; F94-L221 HydrophobicContact CE1-CG 3.93Å
95	Q	91.4	Very high	88.1	Confident	23 Å²	23	54.9 Å²	54.9	11%	0.107	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-35.1	174.2	-74.5	167.6	55.2	0	0	112.2	Q91 L92 T101 V103 V115 I117	Q91-Q95 WeakPolarHBondContact O-CB 3.44Å; Q91-Q95 VanDerWaalsContact O-CG 3.24Å; Q91-Q95 WeakPolarHBondContact O-CG 3.35Å; Q91-Q95 PolarHBondContact O-N 2.99Å; Q91-Q95 PolarHBondContact O-NE2 3.28Å; L92-Q95 WeakPolarHBondContact O-CB 3.49Å; L92-Q95 PolarHBondContact O-N 3.03Å; L92-Q95 VanDerWaalsContact O-N 3.14Å; Q95-T101 WeakPolarHBondContact O-CB 3.35Å; Q95-T101 WeakPolarHBondContact O-CG2 3.4Å; Q95-V103 HydrophobicContact CB-CG2 3.91Å; Q95-V103 HydrophobicContact CG-CG1 3.92Å; Q95-V103 HydrophobicContact CG-CG2 3.87Å; Q95-V115 HydrophobicContact CG-CG1 4.1Å; Q95-I117 HydrophobicContact CG-CG2 4.05Å
96	T	91.2	Very high	87.7	Confident	77 Å²	77	56.8 Å²	56.8	47%	0.472	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	16.7	-179	63.1	0	0	0	0	113.4	L92 E98 S214	L92-T96 WeakPolarHBondContact O-CG2 3.43Å; L92-T96 PolarHBondContact O-N 2.75Å; L92-T96 PolarHBondContact O-OG1 3.09Å; T96-E98 PolarHBondContact O-N 2.89Å; T96-S214 WeakPolarHBondContact O-CB 3.47Å; T96-S214 PolarHBondContact O-OG 3.39Å; T96-S214 PolarHBondContact OG1-OG 2.94Å
97	C	89.9	Confident	87.1	Confident	9 Å²	9	58.7 Å²	58.7	6%	0.061	31%	0.313	C	S	.	.	S	Bend	trans	-62.3	-29.3	-176.1	64.9	0	0	0	0	113.7	L93 F94 T101 A217 L218	L93-C97 PolarHBondContact O-N 3.21Å; L93-C97 VanDerWaalsContact O-N 3.16Å; F94-C97 PolarHBondContact O-SG 3.05Å; C97-T101 PolarHBondContact SG-OG1 3.09Å; C97-A217 HydrophobicContact CB-CB 4.18Å; C97-L218 HydrophobicContact CB-CB 4.28Å
98	E	88.7	Confident	86.2	Confident	14 Å²	14	67.4 Å²	67.4	7%	0.065	35%	0.349	C	S	.	.	S	Bend	trans	-136.6	151.5	177.7	-56.3	171.2	-166.3	0	0	109.4	T96 N100 T101 S119 R120 I121 L218	T96-E98 PolarHBondContact O-N 2.89Å; E98-N100 PolarHBondContact O-N 3.19Å; E98-T101 WeakPolarHBondContact CB-OG1 2.96Å; E98-T101 PolarHBondContact N-OG1 2.83Å; E98-T101 PolarHBondContact O-N 3.12Å; E98-T101 PolarHBondContact O-OG1 2.94Å; E98-S119 PolarHBondContact OE1-OG 3.44Å; E98-R120 PolarHBondContact OE2-N 2.96Å; E98-R120 VanDerWaalsContact OE2-N 3.13Å; E98-I121 VanDerWaalsContact CD-CD1 3.48Å; E98-I121 HydrophobicContact CG-CD1 3.75Å; E98-I121 HydrophobicContact CG-CG1 4.33Å; E98-I121 WeakPolarHBondContact OE1-CB 3.3Å; E98-I121 WeakPolarHBondContact OE2-CG1 3.42Å; E98-I121 PolarHBondContact OE2-N 3.1Å; E98-L218 HydrophobicContact CG-CD1 4.13Å; E98-L218 HydrophobicContact CG-CD2 4.17Å; E98-L218 WeakPolarHBondContact OE1-CD1 3.11Å
99	P	83.1	Confident	85.3	Confident	130 Å²	130	66.7 Å²	66.7	84%	0.844	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.5	-179.4	25.5	-35.1	0	0	0	113.6
100	N	82.3	Confident	84.5	Confident	116 Å²	116	63.7 Å²	63.7	62%	0.62	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	23.5	-177	-63.5	-29.3	0	0	0	112.6	E98 E102	E98-N100 PolarHBondContact O-N 3.19Å; N100-E102 PolarHBondContact O-N 2.83Å
101	T	85.9	Confident	84	Confident	21 Å²	21	64.6 Å²	64.6	13%	0.129	35%	0.346	C	S	.	.			trans	-64.9	118.6	175.1	-60.9	0	0	0	0	109.7	Q95 C97 E98 V103 I117	Q95-T101 WeakPolarHBondContact O-CB 3.35Å; Q95-T101 WeakPolarHBondContact O-CG2 3.4Å; C97-T101 PolarHBondContact SG-OG1 3.09Å; E98-T101 WeakPolarHBondContact CB-OG1 2.96Å; E98-T101 PolarHBondContact N-OG1 2.83Å; E98-T101 PolarHBondContact O-N 3.12Å; E98-T101 PolarHBondContact O-OG1 2.94Å; T101-V103 HydrophobicContact CG2-CG2 4.27Å; T101-I117 HydrophobicContact CG2-CB 4.14Å
102	E	85.9	Confident	83.3	Confident	91 Å²	91	64.2 Å²	64.2	43%	0.425	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123	172.1	-64	167	174	0	0	108.6	N100 H118	N100-E102 PolarHBondContact O-N 2.83Å; E102-H118 HydrophobicContact CB-CB 4.19Å; E102-H118 PolarHBondContact N-O 2.84Å; E102-H118 PolarHBondContact O-N 3.49Å; E102-H118 IonicContact OE2-CE1 3.97Å; E102-H118 IonicContact OE2-CG 2.65Å; E102-H118 IonicContact OE2-ND1 3.9Å; E102-H118 PolarHBondContact OE2-ND1 3.06Å
103	V	87.9	Confident	82.7	Confident	54 Å²	54	64.8 Å²	64.8	33%	0.327	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110.6	178.4	-175.6	0	0	0	0	108.6	Q95 T101 K105 V115 I117	Q95-V103 HydrophobicContact CB-CG2 3.91Å; Q95-V103 HydrophobicContact CG-CG1 3.92Å; Q95-V103 HydrophobicContact CG-CG2 3.87Å; T101-V103 HydrophobicContact CG2-CG2 4.27Å; V103-K105 HydrophobicContact CG1-CG 4.01Å; V103-V115 HydrophobicContact CG1-CG1 3.59Å; V103-I117 HydrophobicContact CG2-CG2 4.44Å
104	I	85.6	Confident	82.4	Confident	78 Å²	78	63.9 Å²	63.9	40%	0.4	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	105.5	176.4	-56.2	167.1	0	0	0	106.8	T116	I104-T116 PolarHBondContact N-O 3.33Å; I104-T116 PolarHBondContact O-N 3.04Å
105	K	81.6	Confident	82.2	Confident	137 Å²	137	64.4 Å²	64.4	60%	0.596	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.4	174.1	-62.1	-174.8	-179.9	-180	0	109	V103 V115	V103-K105 HydrophobicContact CG1-CG 4.01Å; K105-V115 HydrophobicContact CG-CG1 4.49Å
106	K	79.2	Confident	82.2	Confident	51 Å²	51	63.8 Å²	63.8	22%	0.222	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-63.1	157	167.7	-73.3	-163.4	-176.3	-175.9	0	110.5	C110 V114 D261	K106-C110 HydrophobicContact CB-CB 4.11Å; K106-V114 HydrophobicContact CD-CB 4.2Å; K106-D261 IonicContact NZ-OD1 3.56Å; K106-D261 PolarHBondContact NZ-OD1 3.42Å; K106-D261 IonicContact NZ-OD2 2.82Å; K106-D261 PolarHBondContact NZ-OD2 3.28Å
107	P	74.3	Confident	82.3	Confident	89 Å²	89	60.1 Å²	60.1	58%	0.578	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-55.6	149	176.8	23.2	-34.5	0	0	0	111.4	S109 C110	P107-S109 PolarHBondContact O-N 2.77Å; P107-C110 WeakPolarHBondContact O-CB 3.32Å; P107-C110 PolarHBondContact O-N 3.37Å
108	K	67	Low	82.5	Confident	207 Å²	207	60.4 Å²	60.4	90%	0.9	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.2	179.4	-67.7	-174.3	179.3	-178.8	0	113.9	C110	K108-C110 PolarHBondContact O-N 3.07Å
109	S	67.5	Low	82.7	Confident	96 Å²	96	59.7 Å²	59.7	67%	0.671	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.4	174.2	59.1	0	0	0	0	113.5	P107	P107-S109 PolarHBondContact O-N 2.77Å
110	C	75.3	Confident	83	Confident	6 Å²	6	61.2 Å²	61.2	4%	0.041	31%	0.308	C	S	.	.			trans	-70.5	129.2	177.9	-170.2	0	0	0	0	109.8	K106 P107 K108 Q112 D261	K106-C110 HydrophobicContact CB-CB 4.11Å; P107-C110 WeakPolarHBondContact O-CB 3.32Å; P107-C110 PolarHBondContact O-N 3.37Å; K108-C110 PolarHBondContact O-N 3.07Å; C110-Q112 PolarHBondContact O-N 3.47Å; C110-Q112 PolarHBondContact SG-O 2.85Å; C110-D261 CarbonylContact C-O 3.54Å; C110-D261 WeakPolarHBondContact CA-O 3.35Å; C110-D261 VanDerWaalsContact SG-CB 3.52Å; C110-D261 PolarHBondContact SG-OD1 2.84Å; C110-D261 VanDerWaalsContact SG-OD1 3.35Å
111	L	79	Confident	83.3	Confident	18 Å²	18	60.8 Å²	60.8	9%	0.094	30%	0.304	C	S	.	.	S	Bend	trans	-60.4	-35.3	-179.3	-60	171.1	0	0	0	111.6	V260 D261 I263 T556 P571	L111-V260 HydrophobicContact CD1-CG1 4.4Å; L111-D261 WeakPolarHBondContact CG-O 3.32Å; L111-D261 PolarHBondContact N-O 2.84Å; L111-I263 HydrophobicContact CD1-CG2 3.78Å; L111-T556 HydrophobicContact CD2-CG2 3.97Å; L111-P571 HydrophobicContact CB-CG 4.36Å; L111-P571 WeakPolarHBondContact O-CG 3.24Å
112	Q	77.1	Confident	83.5	Confident	19 Å²	19	61.3 Å²	61.3	9%	0.089	31%	0.306	C	S	.	.	S	Bend	trans	-107.8	122.6	-179.9	-59.4	-59.2	-39.2	0	0	109.4	C110 V114 L259 P571	C110-Q112 PolarHBondContact O-N 3.47Å; C110-Q112 PolarHBondContact SG-O 2.85Å; Q112-V114 HydrophobicContact CB-CG2 3.98Å; Q112-V114 PolarHBondContact O-N 3.34Å; Q112-L259 HydrophobicContact CB-CD2 4.19Å; Q112-L259 HydrophobicContact CG-CD1 4.11Å; Q112-L259 HydrophobicContact CG-CD2 4.17Å; Q112-L259 HydrophobicContact CG-CG 4.11Å; Q112-P571 PolarHBondContact NE2-O 2.91Å
113	N	76.5	Confident	83.7	Confident	100 Å²	100	62.6 Å²	62.6	54%	0.535	32%	0.316	S	S	.	.			trans	-73.6	58.7	177.2	-77.7	-27.5	0	0	0	111.7	V115	N113-V115 PolarHBondContact O-N 2.93Å
114	V	87.1	Confident	84	Confident	5 Å²	5	62 Å²	62	3%	0.03	31%	0.309	C	S	.	.			trans	-69.6	120.2	176.8	-171.5	0	0	0	0	108.9	K106 Q112 D127 I129 L259	K106-V114 HydrophobicContact CD-CB 4.2Å; Q112-V114 HydrophobicContact CB-CG2 3.98Å; Q112-V114 PolarHBondContact O-N 3.34Å; V114-D127 HydrophobicContact CG1-CB 3.89Å; V114-I129 HydrophobicContact CG1-CG1 4.22Å; V114-I129 HydrophobicContact CG2-CG1 4.17Å; V114-L259 HydrophobicContact CG2-CD2 4.15Å
115	V	89.9	Confident	84.3	Confident	11 Å²	11	60 Å²	60	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.6	175.1	-178.9	0	0	0	0	108.7	Q95 V103 K105 N113 I117 L128	Q95-V115 HydrophobicContact CG-CG1 4.1Å; V103-V115 HydrophobicContact CG1-CG1 3.59Å; K105-V115 HydrophobicContact CG-CG1 4.49Å; N113-V115 PolarHBondContact O-N 2.93Å; V115-I117 HydrophobicContact CG1-CG2 4.23Å; V115-L128 HydrophobicContact CB-CB 4.47Å; V115-L128 PolarHBondContact N-O 2.92Å; V115-L128 VanDerWaalsContact N-O 3.1Å; V115-L128 PolarHBondContact O-N 3.32Å
116	T	92	Very high	85	Confident	11 Å²	11	53.4 Å²	53.4	7%	0.067	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.4	174.4	-58.6	0	0	0	0	109.2	I104 Y125 F126 D127	I104-T116 PolarHBondContact N-O 3.33Å; I104-T116 PolarHBondContact O-N 3.04Å; T116-Y125 HydrophobicContact CG2-CD1 4.11Å; T116-F126 CarbonylContact C-O 3.54Å; T116-F126 WeakPolarHBondContact CA-O 3.26Å; T116-D127 VanDerWaalsContact CB-OD1 3.23Å; T116-D127 WeakPolarHBondContact CB-OD1 3.35Å; T116-D127 VanDerWaalsContact CG2-OD1 3.22Å; T116-D127 WeakPolarHBondContact CG2-OD1 3.45Å; T116-D127 PolarHBondContact OG1-OD1 3.3Å
117	I	93.5	Very high	85.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	140	173.7	61.6	168.6	0	0	0	109.9	F94 Q95 T101 V103 V115 Y125 F126 L128 L221	F94-I117 HydrophobicContact CB-CD1 4.09Å; Q95-I117 HydrophobicContact CG-CG2 4.05Å; T101-I117 HydrophobicContact CG2-CB 4.14Å; V103-I117 HydrophobicContact CG2-CG2 4.44Å; V115-I117 HydrophobicContact CG1-CG2 4.23Å; I117-Y125 CarbonylContact O-C 3.59Å; I117-Y125 VanDerWaalsContact O-CA 3.3Å; I117-Y125 WeakPolarHBondContact O-CA 3.37Å; I117-F126 HydrophobicContact CD1-CB 4.11Å; I117-F126 HydrophobicContact CD1-CD2 4.3Å; I117-F126 HydrophobicContact CD1-CG 4.49Å; I117-F126 HydrophobicContact CG1-CB 3.7Å; I117-F126 HydrophobicContact CG1-CD2 4.19Å; I117-F126 HydrophobicContact CG1-CG 4.38Å; I117-F126 PolarHBondContact N-O 2.98Å; I117-F126 PolarHBondContact O-N 3.45Å; I117-L128 HydrophobicContact CD1-CD1 4.18Å; I117-L128 HydrophobicContact CD1-CG 4.44Å; I117-L128 HydrophobicContact CG2-CD1 4.15Å; I117-L221 HydrophobicContact CD1-CD1 3.72Å; I117-L221 HydrophobicContact CD1-CD2 4.3Å
118	H	94.2	Very high	86.5	Confident	14 Å²	14	46.9 Å²	46.9	7%	0.065	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	108.7	171.7	176.6	-145.5	0	0	0	109.1	E102 Y125	E102-H118 HydrophobicContact CB-CB 4.19Å; E102-H118 PolarHBondContact N-O 2.84Å; E102-H118 PolarHBondContact O-N 3.49Å; E102-H118 IonicContact OE2-CE1 3.97Å; E102-H118 IonicContact OE2-CG 2.65Å; E102-H118 IonicContact OE2-ND1 3.9Å; E102-H118 PolarHBondContact OE2-ND1 3.06Å; H118-Y125 HydrophobicContact CB-CD1 3.81Å; H118-Y125 HydrophobicContact CB-CE1 3.63Å; H118-Y125 HydrophobicContact CB-CG 4.37Å; H118-Y125 AromaticContact CD2-CD2 3.72Å; H118-Y125 AromaticContact CD2-CE2 3.37Å; H118-Y125 WeakPolarHBondContact CD2-CE2 3.47Å; H118-Y125 AromaticContact CD2-CZ 3.54Å; H118-Y125 AromaticContact CE1-CZ 3.95Å; H118-Y125 AromaticContact CG-CE1 3.69Å; H118-Y125 AromaticContact CG-CE2 3.87Å; H118-Y125 AromaticContact CG-CZ 3.51Å; H118-Y125 AromaticContact ND1-CZ 3.77Å; H118-Y125 AromaticContact NE2-CE2 3.59Å; H118-Y125 AromaticContact NE2-CZ 3.83Å
119	S	91.9	Very high	87.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.9	171.8	161.8	0	0	0	0	108.5	E98 L122 N123 K124	E98-S119 PolarHBondContact OE1-OG 3.44Å; S119-L122 WeakPolarHBondContact OG-CB 3.44Å; S119-L122 WeakPolarHBondContact OG-CG 3.37Å; S119-L122 PolarHBondContact OG-N 3.05Å; S119-L122 VanDerWaalsContact OG-N 3.14Å; S119-N123 VanDerWaalsContact O-CA 3.26Å; S119-N123 WeakPolarHBondContact O-CA 3.34Å; S119-N123 PolarHBondContact O-N 3.21Å; S119-K124 PolarHBondContact N-O 3.35Å; S119-K124 PolarHBondContact O-N 3.27Å; S119-K124 VanDerWaalsContact O-N 3.15Å
120	R	89.3	Confident	88.8	Confident	162 Å²	162	33.3 Å²	33.3	61%	0.611	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-28.3	-177.4	-163.2	157.7	-172.1	165.2	0.4	111.7	E98 N123	E98-R120 PolarHBondContact OE2-N 2.96Å; E98-R120 VanDerWaalsContact OE2-N 3.13Å; R120-N123 PolarHBondContact O-N 3.39Å
121	I	88.9	Confident	89.5	Confident	106 Å²	106	33.1 Å²	33.1	54%	0.544	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-42.9	172.9	-63.1	172.3	0	0	0	110.7	E98 L218	E98-I121 VanDerWaalsContact CD-CD1 3.48Å; E98-I121 HydrophobicContact CG-CD1 3.75Å; E98-I121 HydrophobicContact CG-CG1 4.33Å; E98-I121 WeakPolarHBondContact OE1-CB 3.3Å; E98-I121 WeakPolarHBondContact OE2-CG1 3.42Å; E98-I121 PolarHBondContact OE2-N 3.1Å; I121-L218 HydrophobicContact CD1-CD2 3.82Å
122	L	89.7	Confident	89.7	Confident	33 Å²	33	34.8 Å²	34.8	17%	0.173	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-19.1	177.8	-58.4	176.6	0	0	0	112.2	S119 K124 F126 L218 L221 R222 A225	S119-L122 WeakPolarHBondContact OG-CB 3.44Å; S119-L122 WeakPolarHBondContact OG-CG 3.37Å; S119-L122 PolarHBondContact OG-N 3.05Å; S119-L122 VanDerWaalsContact OG-N 3.14Å; L122-K124 VanDerWaalsContact C-N 3.26Å; L122-K124 HydrophobicContact CB-CB 4.22Å; L122-K124 HydrophobicContact CB-CG 4.23Å; L122-K124 WeakPolarHBondContact O-CG 3.5Å; L122-K124 PolarHBondContact O-N 2.95Å; L122-F126 HydrophobicContact CD1-CE2 4.2Å; L122-F126 HydrophobicContact CD1-CZ 4.03Å; L122-L218 HydrophobicContact CD1-CD1 4.24Å; L122-L218 HydrophobicContact CG-CD1 4.34Å; L122-L221 HydrophobicContact CD1-CB 3.8Å; L122-R222 HydrophobicContact CD1-CB 4.37Å; L122-R222 HydrophobicContact CD2-CB 3.89Å; L122-R222 HydrophobicContact CD2-CG 3.86Å; L122-A225 HydrophobicContact CD1-CB 4.48Å
123	N	91.2	Very high	89.9	Confident	118 Å²	118	34.8 Å²	34.8	63%	0.631	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	47.3	-169.2	-171	37.4	0	0	0	111	S119 R120	S119-N123 VanDerWaalsContact O-CA 3.26Å; S119-N123 WeakPolarHBondContact O-CA 3.34Å; S119-N123 PolarHBondContact O-N 3.21Å; R120-N123 PolarHBondContact O-N 3.39Å
124	K	92.3	Very high	90	Very high	40 Å²	40	34.9 Å²	34.9	17%	0.174	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.5	-176.6	-65.4	-63.1	180	179.4	0	111.3	E64 R67 G68 S119 L122 F126 A225	E64-K124 PolarHBondContact O-NZ 3.4Å; E64-K124 VanDerWaalsContact O-NZ 3.08Å; R67-K124 WeakPolarHBondContact O-CD 3.43Å; R67-K124 PolarHBondContact O-NZ 3.37Å; G68-K124 CarbonylContact O-C 3.52Å; G68-K124 VanDerWaalsContact O-CA 3.31Å; G68-K124 WeakPolarHBondContact O-CA 3.46Å; S119-K124 PolarHBondContact N-O 3.35Å; S119-K124 PolarHBondContact O-N 3.27Å; S119-K124 VanDerWaalsContact O-N 3.15Å; L122-K124 VanDerWaalsContact C-N 3.26Å; L122-K124 HydrophobicContact CB-CB 4.22Å; L122-K124 HydrophobicContact CB-CG 4.23Å; L122-K124 WeakPolarHBondContact O-CG 3.5Å; L122-K124 PolarHBondContact O-N 2.95Å; K124-F126 HydrophobicContact CB-CE2 3.77Å; K124-F126 HydrophobicContact CB-CZ 4.05Å; K124-A225 HydrophobicContact CG-CB 4.43Å
125	Y	93.8	Very high	90	Very high	36 Å²	36	35.6 Å²	35.6	14%	0.141	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.1	172.8	-66.9	-106.8	0	0	0	110.2	G68 K70 P73 I74 T116 I117 H118	G68-Y125 PolarHBondContact O-N 3.08Å; K70-Y125 HydrophobicContact CB-CD1 4.38Å; K70-Y125 HydrophobicContact CB-CD2 4.2Å; K70-Y125 HydrophobicContact CB-CE1 4.03Å; K70-Y125 HydrophobicContact CB-CE2 3.87Å; K70-Y125 HydrophobicContact CB-CG 4.46Å; K70-Y125 HydrophobicContact CG-CD1 4.42Å; K70-Y125 HydrophobicContact CG-CE1 3.92Å; P73-Y125 WeakPolarHBondContact CA-O 3.5Å; I74-Y125 PolarHBondContact N-O 2.95Å; T116-Y125 HydrophobicContact CG2-CD1 4.11Å; I117-Y125 CarbonylContact O-C 3.59Å; I117-Y125 VanDerWaalsContact O-CA 3.3Å; I117-Y125 WeakPolarHBondContact O-CA 3.37Å; H118-Y125 HydrophobicContact CB-CD1 3.81Å; H118-Y125 HydrophobicContact CB-CE1 3.63Å; H118-Y125 HydrophobicContact CB-CG 4.37Å; H118-Y125 AromaticContact CD2-CD2 3.72Å; H118-Y125 AromaticContact CD2-CE2 3.37Å; H118-Y125 WeakPolarHBondContact CD2-CE2 3.47Å; H118-Y125 AromaticContact CD2-CZ 3.54Å; H118-Y125 AromaticContact CE1-CZ 3.95Å; H118-Y125 AromaticContact CG-CE1 3.69Å; H118-Y125 AromaticContact CG-CE2 3.87Å; H118-Y125 AromaticContact CG-CZ 3.51Å; H118-Y125 AromaticContact ND1-CZ 3.77Å; H118-Y125 AromaticContact NE2-CE2 3.59Å; H118-Y125 AromaticContact NE2-CZ 3.83Å
126	F	94.5	Very high	89.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.8	176.3	-54.4	-101.5	0	0	0	109.7	I74 T116 I117 L122 K124 L221 I224 A225	I74-F126 HydrophobicContact CB-CD1 3.8Å; I74-F126 HydrophobicContact CB-CE1 4.28Å; I74-F126 HydrophobicContact CD1-CD1 4.16Å; I74-F126 HydrophobicContact CD1-CE1 3.76Å; I74-F126 HydrophobicContact CD1-CZ 4.37Å; I74-F126 HydrophobicContact CG2-CD1 4.17Å; I74-F126 CarbonylContact O-C 3.58Å; I74-F126 WeakPolarHBondContact O-CA 3.42Å; T116-F126 CarbonylContact C-O 3.54Å; T116-F126 WeakPolarHBondContact CA-O 3.26Å; I117-F126 HydrophobicContact CD1-CB 4.11Å; I117-F126 HydrophobicContact CD1-CD2 4.3Å; I117-F126 HydrophobicContact CD1-CG 4.49Å; I117-F126 HydrophobicContact CG1-CB 3.7Å; I117-F126 HydrophobicContact CG1-CD2 4.19Å; I117-F126 HydrophobicContact CG1-CG 4.38Å; I117-F126 PolarHBondContact N-O 2.98Å; I117-F126 PolarHBondContact O-N 3.45Å; L122-F126 HydrophobicContact CD1-CE2 4.2Å; L122-F126 HydrophobicContact CD1-CZ 4.03Å; K124-F126 HydrophobicContact CB-CE2 3.77Å; K124-F126 HydrophobicContact CB-CZ 4.05Å; F126-L221 HydrophobicContact CD1-CD2 3.91Å; F126-L221 HydrophobicContact CD2-CD2 4.27Å; F126-L221 HydrophobicContact CE1-CB 4.47Å; F126-L221 HydrophobicContact CE1-CD2 3.96Å; F126-L221 HydrophobicContact CE2-CB 4.37Å; F126-L221 HydrophobicContact CE2-CD1 4.46Å; F126-L221 HydrophobicContact CE2-CD2 4.32Å; F126-L221 HydrophobicContact CG-CD2 4.06Å; F126-L221 HydrophobicContact CZ-CB 4.03Å; F126-L221 HydrophobicContact CZ-CD2 4.16Å; F126-I224 HydrophobicContact CE1-CG2 4.21Å; F126-A225 HydrophobicContact CE1-CB 4.46Å; F126-A225 HydrophobicContact CZ-CB 4.06Å
127	D	93.2	Very high	89.9	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.011	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118.4	172.7	-78.7	6.7	0	0	0	108.6	P73 I74 C76 V114 T116 R289	P73-D127 HydrophobicContact CB-CB 4.45Å; P73-D127 WeakPolarHBondContact CB-OD1 3.46Å; P73-D127 HydrophobicContact CG-CB 4.39Å; P73-D127 WeakPolarHBondContact CG-OD1 3.26Å; P73-D127 WeakPolarHBondContact CG-OD2 3.43Å; I74-D127 PolarHBondContact O-N 3.14Å; C76-D127 PolarHBondContact N-O 3.48Å; V114-D127 HydrophobicContact CG1-CB 3.89Å; T116-D127 VanDerWaalsContact CB-OD1 3.23Å; T116-D127 WeakPolarHBondContact CB-OD1 3.35Å; T116-D127 VanDerWaalsContact CG2-OD1 3.22Å; T116-D127 WeakPolarHBondContact CG2-OD1 3.45Å; T116-D127 PolarHBondContact OG1-OD1 3.3Å; D127-R289 VanDerWaalsContact CB-NH2 3.27Å; D127-R289 IonicContact OD2-CZ 2.74Å; D127-R289 IonicContact OD2-NH2 3.68Å; D127-R289 PolarHBondContact OD2-NH2 3.44Å
128	L	93.7	Very high	89.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.4	179.7	-55.2	177.6	0	0	0	109.8	C76 F94 V115 I117	C76-L128 HydrophobicContact CB-CD2 3.96Å; C76-L128 WeakPolarHBondContact O-CA 3.34Å; F94-L128 HydrophobicContact CB-CD1 3.58Å; F94-L128 HydrophobicContact CD2-CD1 4.24Å; F94-L128 HydrophobicContact CD2-CD2 4.33Å; F94-L128 HydrophobicContact CG-CD1 4.23Å; V115-L128 HydrophobicContact CB-CB 4.47Å; V115-L128 PolarHBondContact N-O 2.92Å; V115-L128 VanDerWaalsContact N-O 3.1Å; V115-L128 PolarHBondContact O-N 3.32Å; I117-L128 HydrophobicContact CD1-CD1 4.18Å; I117-L128 HydrophobicContact CD1-CG 4.44Å; I117-L128 HydrophobicContact CG2-CD1 4.15Å
129	I	91.7	Very high	89.6	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.6	179.9	-56	165.2	0	0	0	108.3	C76 V77 L78 V114 L142 F145 L259	C76-I129 PolarHBondContact O-N 3.31Å; V77-I129 CarbonylContact C-O 3.54Å; V77-I129 WeakPolarHBondContact CA-O 3.28Å; V77-I129 HydrophobicContact CG2-CB 4.24Å; V77-I129 HydrophobicContact CG2-CD1 4.45Å; L78-I129 PolarHBondContact N-O 2.69Å; V114-I129 HydrophobicContact CG1-CG1 4.22Å; V114-I129 HydrophobicContact CG2-CG1 4.17Å; I129-L142 HydrophobicContact CG2-CD1 4.16Å; I129-L142 HydrophobicContact CG2-CD2 3.84Å; I129-F145 HydrophobicContact CD1-CD1 3.92Å; I129-F145 HydrophobicContact CD1-CE1 3.51Å; I129-L259 HydrophobicContact CD1-CD2 3.8Å
130	C	89.5	Confident	89.6	Confident	14 Å²	14	36.6 Å²	36.6	10%	0.095	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.3	179.1	-70.6	0	0	0	0	111.1	Q91 R570	Q91-C130 WeakPolarHBondContact CG-SG 3.41Å; Q91-C130 PolarHBondContact NE2-SG 3.12Å; C130-R570 PolarHBondContact O-NH1 3.46Å
131	A	89.6	Confident	89.7	Confident	3 Å²	3	29.2 Å²	29.2	3%	0.025	15%	0.149	C	C	.	.			trans	-77.7	175.4	166.5	0	0	0	0	0	111.3	V77 L78 I79 L142 R570	V77-A131 HydrophobicContact CG1-CB 4.26Å; L78-A131 PolarHBondContact O-N 2.96Å; I79-A131 HydrophobicContact CB-CB 4.47Å; I79-A131 HydrophobicContact CG1-CB 3.94Å; A131-L142 HydrophobicContact CB-CD1 3.81Å; A131-R570 PolarHBondContact O-NH2 3.47Å
132	Y	83.3	Confident	89.9	Confident	52 Å²	52	24.3 Å²	24.3	20%	0.204	12%	0.124	C	C	.	.			trans	-121	139.1	173.8	-164.3	-120.9	0	0	0	109.4	D134 D135 C139 S567 D568	Y132-D134 HydrophobicContact CD1-CB 3.75Å; Y132-D134 HydrophobicContact CE1-CB 3.51Å; Y132-D134 VanDerWaalsContact CE1-CG 3.47Å; Y132-D134 VanDerWaalsContact CE1-OD2 3.28Å; Y132-D134 WeakPolarHBondContact CE1-OD2 3.39Å; Y132-D134 PolarHBondContact O-N 3.15Å; Y132-D134 PolarHBondContact OH-OD2 3.48Å; Y132-D135 PolarHBondContact O-N 3.44Å; Y132-C139 PolarHBondContact O-SG 3.06Å; Y132-S567 PolarHBondContact OH-O 3.16Å; Y132-D568 HydrophobicContact CE1-CB 4.38Å
133	S	81.1	Confident	89.9	Confident	19 Å²	19	22.8 Å²	22.8	13%	0.133	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30	-175.3	48.5	0	0	0	0	113.3
134	D	80.1	Confident	89.7	Confident	102 Å²	102	17.4 Å²	17.4	55%	0.545	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-13.7	-170.3	-49.7	-8.3	0	0	0	111.8	Y132 L136	Y132-D134 HydrophobicContact CD1-CB 3.75Å; Y132-D134 HydrophobicContact CE1-CB 3.51Å; Y132-D134 VanDerWaalsContact CE1-CG 3.47Å; Y132-D134 VanDerWaalsContact CE1-OD2 3.28Å; Y132-D134 WeakPolarHBondContact CE1-OD2 3.39Å; Y132-D134 PolarHBondContact O-N 3.15Å; Y132-D134 PolarHBondContact OH-OD2 3.48Å; D134-L136 PolarHBondContact O-N 2.93Å
135	D	86	Confident	89.6	Confident	21 Å²	21	15.7 Å²	15.7	11%	0.112	8%	0.08	C	C	.	.			trans	-96.1	88.2	174.4	-180	12.7	0	0	0	110.7	Y132 F137 G138 C139 H572	Y132-D135 PolarHBondContact O-N 3.44Å; D135-F137 PolarHBondContact O-N 2.87Å; D135-F137 PolarHBondContact OD1-N 3.38Å; D135-G138 VanDerWaalsContact CG-N 3.3Å; D135-G138 PolarHBondContact OD1-N 2.95Å; D135-G138 WeakPolarHBondContact OD2-CA 3.33Å; D135-G138 PolarHBondContact OD2-N 3.08Å; D135-C139 WeakPolarHBondContact O-CB 2.75Å; D135-C139 PolarHBondContact O-N 2.86Å; D135-C139 PolarHBondContact O-SG 3.45Å; D135-H572 IonicContact OD1-CE1 3.56Å; D135-H572 IonicContact OD1-ND1 3.91Å; D135-H572 PolarHBondContact OD1-ND1 3.21Å; D135-H572 IonicContact OD2-CE1 2.84Å; D135-H572 PolarHBondContact OD2-CE1 2.91Å; D135-H572 IonicContact OD2-CG 2.94Å; D135-H572 IonicContact OD2-ND1 3.22Å; D135-H572 PolarHBondContact OD2-ND1 3.41Å
136	L	88.8	Confident	89.4	Confident	34 Å²	34	14.5 Å²	14.5	18%	0.178	8%	0.077	C	C	.	.	H	α-helix	trans	-57.6	-47.8	177.2	175	59.8	0	0	0	111.7	D134 C139 L140 L167 F740	D134-L136 PolarHBondContact O-N 2.93Å; L136-C139 WeakPolarHBondContact O-CB 3.4Å; L136-C139 PolarHBondContact O-N 3.17Å; L136-L140 HydrophobicContact CD1-CD1 4.25Å; L136-L140 HydrophobicContact CD1-CG 4.38Å; L136-L140 HydrophobicContact CG-CD1 4.26Å; L136-L140 WeakPolarHBondContact O-CG 3.28Å; L136-L140 PolarHBondContact O-N 3.46Å; L136-L167 HydrophobicContact CD1-CB 4.06Å; L136-L167 HydrophobicContact CD1-CD1 3.55Å; L136-L167 HydrophobicContact CD1-CG 4.43Å; L136-F740 HydrophobicContact CD2-CE1 3.7Å; L136-F740 HydrophobicContact CD2-CZ 4.16Å
137	F	91.9	Very high	89	Confident	19 Å²	19	16.5 Å²	16.5	8%	0.083	9%	0.088	C	C	.	.	H	α-helix	trans	-73.7	-36.4	-173.6	-70.8	-68	0	0	0	112.7	D135 L140 D141 L685 R692 F740 V757 L869	D135-F137 PolarHBondContact O-N 2.87Å; D135-F137 PolarHBondContact OD1-N 3.38Å; F137-L140 HydrophobicContact CD1-CD1 4.26Å; F137-L140 PolarHBondContact O-N 3.17Å; F137-D141 WeakPolarHBondContact O-CB 3.46Å; F137-D141 VanDerWaalsContact O-CG 3.22Å; F137-D141 PolarHBondContact O-N 3.38Å; F137-L685 HydrophobicContact CE1-CD2 3.54Å; F137-L685 HydrophobicContact CE2-CD2 4.22Å; F137-L685 HydrophobicContact CZ-CD2 3.32Å; F137-R692 PolarHBondContact O-NH2 2.83Å; F137-F740 HydrophobicContact CE1-CD2 4.16Å; F137-F740 AromaticContact CE1-CE2 3.85Å; F137-F740 HydrophobicContact CE1-CE2 3.85Å; F137-F740 HydrophobicContact CE1-CZ 4.11Å; F137-F740 HydrophobicContact CZ-CD1 4.37Å; F137-F740 HydrophobicContact CZ-CD2 4.25Å; F137-F740 HydrophobicContact CZ-CE1 4.39Å; F137-F740 HydrophobicContact CZ-CE2 4.25Å; F137-F740 HydrophobicContact CZ-CG 4.31Å; F137-F740 HydrophobicContact CZ-CZ 4.32Å; F137-V757 HydrophobicContact CE2-CB 4.36Å; F137-V757 HydrophobicContact CE2-CG1 3.97Å; F137-V757 HydrophobicContact CZ-CG1 3.81Å; F137-L869 HydrophobicContact CD2-CD1 4.28Å; F137-L869 HydrophobicContact CD2-CD2 3.31Å; F137-L869 HydrophobicContact CD2-CG 4.43Å; F137-L869 HydrophobicContact CE2-CD2 3.29Å; F137-L869 HydrophobicContact CG-CD2 4.22Å; F137-L869 HydrophobicContact CZ-CD2 4.21Å
138	G	90.8	Very high	88.9	Confident	2 Å²	2	16.5 Å²	16.5	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-67.4	-35.4	171.1	0	0	0	0	0	112.5	D135 D141 L142 P573	D135-G138 VanDerWaalsContact CG-N 3.3Å; D135-G138 PolarHBondContact OD1-N 2.95Å; D135-G138 WeakPolarHBondContact OD2-CA 3.33Å; D135-G138 PolarHBondContact OD2-N 3.08Å; G138-D141 PolarHBondContact O-N 3.07Å; G138-L142 WeakPolarHBondContact O-CB 3.45Å; G138-L142 VanDerWaalsContact O-CG 3.28Å; G138-L142 WeakPolarHBondContact O-CG 3.27Å; G138-L142 PolarHBondContact O-N 3.48Å; G138-P573 VanDerWaalsContact CA-CG 3.48Å
139	C	91	Very high	88.8	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-61.7	-43.9	170.1	-76.1	0	0	0	0	112.1	Y132 D135 L136 A143 L167	Y132-C139 PolarHBondContact O-SG 3.06Å; D135-C139 WeakPolarHBondContact O-CB 2.75Å; D135-C139 PolarHBondContact O-N 2.86Å; D135-C139 PolarHBondContact O-SG 3.45Å; L136-C139 WeakPolarHBondContact O-CB 3.4Å; L136-C139 PolarHBondContact O-N 3.17Å; C139-A143 VanDerWaalsContact O-CB 3.25Å; C139-A143 WeakPolarHBondContact O-CB 3.38Å; C139-A143 PolarHBondContact O-N 3.48Å; C139-L167 HydrophobicContact CB-CD1 3.53Å
140	L	91.7	Very high	88.9	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.6	-41.8	176.8	-68.3	172.6	0	0	0	111.6	L136 F137 A143 N144 A170 I171 L738 F740	L136-L140 HydrophobicContact CD1-CD1 4.25Å; L136-L140 HydrophobicContact CD1-CG 4.38Å; L136-L140 HydrophobicContact CG-CD1 4.26Å; L136-L140 WeakPolarHBondContact O-CG 3.28Å; L136-L140 PolarHBondContact O-N 3.46Å; F137-L140 HydrophobicContact CD1-CD1 4.26Å; F137-L140 PolarHBondContact O-N 3.17Å; L140-A143 PolarHBondContact O-N 2.82Å; L140-N144 PolarHBondContact O-N 2.82Å; L140-N144 PolarHBondContact O-ND2 3.27Å; L140-A170 HydrophobicContact CD1-CB 4.23Å; L140-A170 HydrophobicContact CD2-CB 3.74Å; L140-I171 HydrophobicContact CD2-CG1 3.85Å; L140-L738 HydrophobicContact CD1-CD1 3.95Å; L140-L738 HydrophobicContact CD2-CD1 4.37Å; L140-F740 HydrophobicContact CD1-CZ 4.27Å
141	D	91.8	Very high	89	Confident	7 Å²	7	15.8 Å²	15.8	4%	0.037	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-51.4	176.9	-72	-21.8	0	0	0	110.6	F137 G138 A143 N144 F145 T314 P573 L575 R692	F137-D141 WeakPolarHBondContact O-CB 3.46Å; F137-D141 VanDerWaalsContact O-CG 3.22Å; F137-D141 PolarHBondContact O-N 3.38Å; G138-D141 PolarHBondContact O-N 3.07Å; D141-A143 VanDerWaalsContact C-N 3.26Å; D141-A143 PolarHBondContact O-N 2.94Å; D141-N144 CarbonylContact O-C 3.57Å; D141-N144 WeakPolarHBondContact O-CA 3.17Å; D141-N144 WeakPolarHBondContact O-CB 3.47Å; D141-N144 PolarHBondContact O-N 2.94Å; D141-F145 PolarHBondContact O-N 2.82Å; D141-T314 VanDerWaalsContact OD1-CG2 3.29Å; D141-T314 WeakPolarHBondContact OD1-CG2 3.36Å; D141-P573 HydrophobicContact CB-CG 4.42Å; D141-L575 HydrophobicContact CB-CD1 3.73Å; D141-L575 HydrophobicContact CB-CG 4.31Å; D141-L575 WeakPolarHBondContact O-CD1 2.98Å; D141-R692 IonicContact OD1-CZ 3.27Å; D141-R692 IonicContact OD1-NH1 3.4Å; D141-R692 IonicContact OD1-NH2 3.18Å; D141-R692 PolarHBondContact OD1-NH2 2.85Å; D141-R692 IonicContact OD2-CZ 2.99Å; D141-R692 IonicContact OD2-NH1 3.8Å; D141-R692 PolarHBondContact OD2-NH1 3.05Å; D141-R692 IonicContact OD2-NH2 3.85Å; D141-R692 PolarHBondContact OD2-NH2 2.94Å
142	L	91.8	Very high	89.2	Confident	4 Å²	4	15.7 Å²	15.7	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-60.5	-35.7	176.3	-69.6	175	0	0	0	112.4	V77 I129 A131 G138 F145 A146 L259 P573	V77-L142 HydrophobicContact CG1-CB 3.81Å; V77-L142 HydrophobicContact CG1-CD1 4.34Å; V77-L142 HydrophobicContact CG2-CB 4.17Å; I129-L142 HydrophobicContact CG2-CD1 4.16Å; I129-L142 HydrophobicContact CG2-CD2 3.84Å; A131-L142 HydrophobicContact CB-CD1 3.81Å; G138-L142 WeakPolarHBondContact O-CB 3.45Å; G138-L142 VanDerWaalsContact O-CG 3.28Å; G138-L142 WeakPolarHBondContact O-CG 3.27Å; G138-L142 PolarHBondContact O-N 3.48Å; L142-F145 CarbonylContact O-C 3.52Å; L142-F145 PolarHBondContact O-N 3.07Å; L142-A146 WeakPolarHBondContact O-CB 3.31Å; L142-A146 PolarHBondContact O-N 2.63Å; L142-L259 HydrophobicContact CD2-CD1 4.2Å; L142-P573 HydrophobicContact CD1-CG 4.29Å; L142-P573 HydrophobicContact CD2-CB 3.9Å; L142-P573 HydrophobicContact CD2-CG 4.34Å; L142-P573 HydrophobicContact CG-CB 4.05Å; L142-P573 HydrophobicContact CG-CG 3.91Å
143	A	90.2	Very high	89.5	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.9	-44.6	172.7	0	0	0	0	0	112	C139 L140 D141 F145 A146 L149 I171 F176	C139-A143 VanDerWaalsContact O-CB 3.25Å; C139-A143 WeakPolarHBondContact O-CB 3.38Å; C139-A143 PolarHBondContact O-N 3.48Å; L140-A143 PolarHBondContact O-N 2.82Å; D141-A143 VanDerWaalsContact C-N 3.26Å; D141-A143 PolarHBondContact O-N 2.94Å; A143-F145 PolarHBondContact O-N 3.49Å; A143-A146 PolarHBondContact O-N 2.85Å; A143-L149 HydrophobicContact CB-CD1 4Å; A143-L149 HydrophobicContact CB-CD2 4.12Å; A143-I171 HydrophobicContact CB-CG1 4.42Å; A143-F176 HydrophobicContact CB-CD2 4.2Å; A143-F176 HydrophobicContact CB-CE2 4.18Å; A143-F176 WeakPolarHBondContact O-CE1 3.05Å; A143-F176 WeakPolarHBondContact O-CZ 3.33Å
144	N	87.8	Confident	89.9	Confident	5 Å²	5	12.4 Å²	12.4	3%	0.027	7%	0.067	C	C	.	.	H	α-helix	trans	-61.6	-31.2	172.8	-70.7	-67.3	0	0	0	113.3	L140 D141 Q174 F176 H249 R257 W577	L140-N144 PolarHBondContact O-N 2.82Å; L140-N144 PolarHBondContact O-ND2 3.27Å; D141-N144 CarbonylContact O-C 3.57Å; D141-N144 WeakPolarHBondContact O-CA 3.17Å; D141-N144 WeakPolarHBondContact O-CB 3.47Å; D141-N144 PolarHBondContact O-N 2.94Å; N144-Q174 PolarHBondContact ND2-OE1 3.01Å; N144-F176 HydrophobicContact CB-CZ 4.07Å; N144-F176 WeakPolarHBondContact OD1-CE2 3.28Å; N144-F176 WeakPolarHBondContact OD1-CZ 3.13Å; N144-H249 PolarHBondContact OD1-CE1 2.86Å; N144-R257 PolarHBondContact O-NH1 2.88Å; N144-W577 HydrophobicContact CB-CH2 4.42Å; N144-W577 HydrophobicContact CB-CZ2 4.04Å
145	F	89	Confident	90.2	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.018	6%	0.055	C	C	.	.	H	α-helix	trans	-80.7	-25.6	175.6	179.8	-103.5	0	0	0	114.4	I129 D141 L142 A143 R257 L259 L575	I129-F145 HydrophobicContact CD1-CD1 3.92Å; I129-F145 HydrophobicContact CD1-CE1 3.51Å; D141-F145 PolarHBondContact O-N 2.82Å; L142-F145 CarbonylContact O-C 3.52Å; L142-F145 PolarHBondContact O-N 3.07Å; A143-F145 PolarHBondContact O-N 3.49Å; F145-R257 VanDerWaalsContact C-NH1 3.34Å; F145-R257 HydrophobicContact CD2-CG 4.16Å; F145-R257 HydrophobicContact CE2-CG 4.3Å; F145-R257 PolarHBondContact O-NH1 2.99Å; F145-R257 PolarHBondContact O-NH2 2.97Å; F145-L259 HydrophobicContact CD1-CB 4.41Å; F145-L259 HydrophobicContact CD1-CD2 4.38Å; F145-L259 HydrophobicContact CD2-CB 4.2Å; F145-L259 HydrophobicContact CE1-CB 3.9Å; F145-L259 HydrophobicContact CE1-CD2 3.91Å; F145-L259 HydrophobicContact CE2-CB 3.68Å; F145-L259 HydrophobicContact CZ-CB 3.48Å; F145-L259 VanDerWaalsContact CZ-CB 3.48Å; F145-L259 HydrophobicContact CZ-CD2 4.29Å; F145-L575 HydrophobicContact CB-CD1 3.97Å; F145-L575 HydrophobicContact CB-CD2 3.84Å; F145-L575 HydrophobicContact CD2-CD2 3.83Å; F145-L575 HydrophobicContact CG-CD2 3.94Å
146	A	89.8	Confident	90.2	Very high	11 Å²	11	12.6 Å²	12.6	9%	0.091	7%	0.071	C	C	.	.			trans	-68.1	156.1	-173.6	0	0	0	0	0	113.1	V77 L142 A143 L149 R257	V77-A146 HydrophobicContact CB-CB 4.11Å; V77-A146 HydrophobicContact CG2-CB 3.6Å; L142-A146 WeakPolarHBondContact O-CB 3.31Å; L142-A146 PolarHBondContact O-N 2.63Å; A143-A146 PolarHBondContact O-N 2.85Å; A146-L149 HydrophobicContact CB-CD2 3.8Å; A146-L149 HydrophobicContact CB-CG 4.44Å; A146-R257 PolarHBondContact O-NH1 2.95Å; A146-R257 VanDerWaalsContact O-NH1 3.16Å
147	D	87.2	Confident	89.6	Confident	42 Å²	42	12.4 Å²	12.4	23%	0.225	7%	0.072	C	C	.	.	S	Bend	trans	-94.1	-32.5	158.9	-65.7	-43.5	0	0	0	110.6	I74 A75 R257	I74-D147 HydrophobicContact CG2-CB 4.16Å; A75-D147 HydrophobicContact CB-CB 4.29Å; A75-D147 WeakPolarHBondContact CB-OD2 3.41Å; A75-D147 PolarHBondContact N-OD2 3.29Å; A75-D147 PolarHBondContact O-N 2.98Å; D147-R257 IonicContact OD1-CZ 2.82Å; D147-R257 IonicContact OD1-NH2 3.29Å; D147-R257 PolarHBondContact OD1-NH2 2.85Å; D147-R257 IonicContact OD2-NH2 3.66Å
148	W	90	Very high	88.9	Confident	3 Å²	3	17.7 Å²	17.7	1%	0.011	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.5	179.6	-153	-85.2	0	0	0	111.4	A75 C76 V77 N178 S180 E205 H223 I224 T227	A75-W148 PolarHBondContact O-N 2.99Å; C76-W148 WeakPolarHBondContact CA-O 3.1Å; V77-W148 PolarHBondContact N-O 2.87Å; W148-N178 HydrophobicContact CD2-CB 4.19Å; W148-N178 HydrophobicContact CE3-CB 3.76Å; W148-N178 HydrophobicContact CH2-CB 4.46Å; W148-N178 HydrophobicContact CZ3-CB 3.9Å; W148-S180 WeakPolarHBondContact CZ2-OG 3.36Å; W148-S180 PolarHBondContact NE1-OG 3.37Å; W148-E205 WeakPolarHBondContact CZ2-OE1 3.24Å; W148-H223 AromaticContact CZ2-NE2 3.96Å; W148-I224 HydrophobicContact CB-CG2 3.99Å; W148-I224 HydrophobicContact CD2-CB 4.4Å; W148-I224 HydrophobicContact CD2-CG1 3.97Å; W148-I224 HydrophobicContact CD2-CG2 4Å; W148-I224 HydrophobicContact CE3-CG2 4.26Å; W148-I224 HydrophobicContact CG-CB 4.47Å; W148-I224 HydrophobicContact CG-CD1 4.18Å; W148-I224 HydrophobicContact CG-CG1 3.9Å; W148-I224 HydrophobicContact CG-CG2 3.87Å; W148-T227 HydrophobicContact CH2-CG2 3.9Å; W148-T227 WeakPolarHBondContact CH2-OG1 2.93Å; W148-T227 WeakPolarHBondContact CZ3-OG1 3.34Å
149	L	91.6	Very high	88.4	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.3	171.9	-66.2	-179.5	0	0	0	110.2	V77 I79 A143 A146 I171 F176 N178 A179 S180	V77-L149 HydrophobicContact CB-CD2 3.85Å; V77-L149 HydrophobicContact CG1-CD2 4.28Å; I79-L149 HydrophobicContact CD1-CD1 4.45Å; I79-L149 HydrophobicContact CD1-CD2 3.82Å; I79-L149 HydrophobicContact CG1-CD2 4.46Å; A143-L149 HydrophobicContact CB-CD1 4Å; A143-L149 HydrophobicContact CB-CD2 4.12Å; A146-L149 HydrophobicContact CB-CD2 3.8Å; A146-L149 HydrophobicContact CB-CG 4.44Å; L149-I171 HydrophobicContact CD1-CG2 3.73Å; L149-F176 HydrophobicContact CD1-CB 4.42Å; L149-N178 PolarHBondContact N-O 2.84Å; L149-A179 HydrophobicContact CB-CB 3.92Å; L149-A179 CarbonylContact O-C 3.59Å; L149-A179 VanDerWaalsContact O-CA 3.31Å; L149-A179 WeakPolarHBondContact O-CA 3.32Å; L149-S180 PolarHBondContact O-N 2.81Å
150	I	93.2	Very high	87.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	102.5	171.4	-56.3	176.5	0	0	0	106.7	C76 V77 L78 I79 F94 L152 S180 A182 L220 I224	C76-I150 HydrophobicContact CB-CD1 4.22Å; V77-I150 PolarHBondContact O-N 3.27Å; L78-I150 WeakPolarHBondContact CA-O 3.45Å; L78-I150 HydrophobicContact CD2-CB 3.68Å; L78-I150 HydrophobicContact CD2-CD1 3.7Å; L78-I150 HydrophobicContact CD2-CG1 4.17Å; L78-I150 HydrophobicContact CD2-CG2 3.95Å; I79-I150 PolarHBondContact N-O 3.23Å; F94-I150 HydrophobicContact CE2-CD1 4.06Å; F94-I150 HydrophobicContact CZ-CD1 3.8Å; I150-L152 HydrophobicContact CG2-CD2 3.95Å; I150-L152 PolarHBondContact O-N 3.16Å; I150-S180 CarbonylContact C-O 3.37Å; I150-S180 WeakPolarHBondContact CA-O 3.47Å; I150-A182 HydrophobicContact CG2-CB 3.94Å; I150-L220 HydrophobicContact CG2-CD2 4.31Å; I150-I224 HydrophobicContact CD1-CD1 3.77Å; I150-I224 HydrophobicContact CG1-CD1 4.17Å
151	L	92.5	Very high	87.4	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	108.5	-178.5	-57.7	177.1	0	0	0	108.5	I79 L81 V153 L168 A179 S180 Y181 A182	I79-L151 HydrophobicContact CB-CD2 3.93Å; I79-L151 HydrophobicContact CD1-CD2 4.16Å; I79-L151 HydrophobicContact CG1-CD2 4.43Å; I79-L151 HydrophobicContact CG2-CD2 4.41Å; L81-L151 HydrophobicContact CD2-CB 4.31Å; L81-L151 HydrophobicContact CD2-CD2 4.4Å; L81-L151 HydrophobicContact CG-CB 4.49Å; L151-V153 PolarHBondContact O-N 2.82Å; L151-L168 HydrophobicContact CD1-CD2 3.79Å; L151-L168 HydrophobicContact CD2-CD2 4.23Å; L151-A179 HydrophobicContact CD1-CB 4.12Å; L151-A179 HydrophobicContact CG-CB 4.45Å; L151-S180 PolarHBondContact N-O 3.17Å; L151-Y181 HydrophobicContact CB-CD1 4Å; L151-Y181 HydrophobicContact CB-CE1 4.2Å; L151-Y181 HydrophobicContact CB-CG 4.48Å; L151-Y181 HydrophobicContact CD1-CD1 4.14Å; L151-Y181 HydrophobicContact CD1-CD2 4.5Å; L151-Y181 HydrophobicContact CD1-CE1 3.6Å; L151-Y181 HydrophobicContact CD1-CE2 3.94Å; L151-Y181 VanDerWaalsContact CD1-CZ 3.5Å; L151-Y181 WeakPolarHBondContact O-CA 3.24Å; L151-A182 PolarHBondContact O-N 2.95Å
152	L	92.9	Very high	86.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	110.6	-177.5	-54	174.7	0	0	0	109.9	L78 I79 L81 V85 T87 A90 I150 A182 L211	L78-L152 HydrophobicContact CB-CD1 4.37Å; I79-L152 PolarHBondContact O-N 2.67Å; L81-L152 WeakPolarHBondContact CB-O 3.32Å; L81-L152 WeakPolarHBondContact CG-O 3.31Å; L81-L152 PolarHBondContact N-O 2.84Å; V85-L152 HydrophobicContact CG1-CB 3.68Å; V85-L152 HydrophobicContact CG1-CD1 4.27Å; T87-L152 HydrophobicContact CG2-CD1 4.13Å; A90-L152 HydrophobicContact CB-CD1 3.82Å; A90-L152 HydrophobicContact CB-CD2 4.05Å; I150-L152 HydrophobicContact CG2-CD2 3.95Å; I150-L152 PolarHBondContact O-N 3.16Å; L152-A182 CarbonylContact C-O 3.55Å; L152-A182 WeakPolarHBondContact CA-O 3.43Å; L152-A182 HydrophobicContact CD2-CB 4.16Å; L152-L211 HydrophobicContact CD2-CD2 4.14Å
153	V	90.5	Very high	85.9	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.4	-176.7	-172.7	0	0	0	0	109.5	L81 L151 Y181 A182 V183 L197	L81-V153 HydrophobicContact CD1-CB 4.45Å; L81-V153 HydrophobicContact CD1-CG2 3.87Å; L151-V153 PolarHBondContact O-N 2.82Å; V153-Y181 HydrophobicContact CG2-CD1 3.72Å; V153-Y181 HydrophobicContact CG2-CG 4.43Å; V153-A182 PolarHBondContact N-O 2.65Å; V153-V183 HydrophobicContact CB-CG2 3.86Å; V153-V183 HydrophobicContact CG1-CG2 4.36Å; V153-L197 HydrophobicContact CG1-CD1 4.24Å; V153-L197 HydrophobicContact CG2-CD1 4.07Å
154	P	90	Very high	85.5	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.013	19%	0.192	C	C	.	.			trans	-64.7	155.7	172.8	27.8	-34.8	0	0	0	111.7	V85 E159 I160	V85-P154 HydrophobicContact CG2-CB 3.76Å; P154-E159 HydrophobicContact CB-CB 4.12Å; P154-E159 HydrophobicContact CG-CB 4.34Å; P154-I160 HydrophobicContact CG-CD1 4.39Å; P154-I160 HydrophobicContact CG-CG1 3.52Å
155	S	86.7	Confident	85.2	Confident	42 Å²	42	35.9 Å²	35.9	29%	0.294	21%	0.207	S	C	.	.	S	Bend	trans	-67.8	-37.7	-177.6	-50.3	0	0	0	0	112.3	S185	S155-S185 WeakPolarHBondContact OG-CB 3.39Å
156	N	84.9	Confident	84.8	Confident	84 Å²	84	37.5 Å²	37.5	45%	0.449	22%	0.215	S	C	.	.	S	Bend	trans	-98	128.2	177.3	-65.5	-38.5	0	0	0	109.8	T158 E159	N156-T158 PolarHBondContact O-N 2.81Å; N156-E159 HydrophobicContact CB-CG 4.07Å; N156-E159 WeakPolarHBondContact CB-OE1 3.39Å; N156-E159 PolarHBondContact ND2-OE1 3.24Å; N156-E159 PolarHBondContact O-N 2.96Å
157	P	76.1	Confident	84.7	Confident	31 Å²	31	37.2 Å²	37.2	20%	0.201	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-66.5	-21.9	178.8	25.3	-32.8	0	0	0	113.5	E159 I160 L193 I196	P157-E159 PolarHBondContact O-N 3.2Å; P157-I160 PolarHBondContact O-N 2.75Å; P157-L193 HydrophobicContact CB-CD2 3.96Å; P157-L193 HydrophobicContact CG-CD2 4.35Å; P157-I196 HydrophobicContact CB-CD1 3.42Å; P157-I196 VanDerWaalsContact CB-CD1 3.42Å; P157-I196 HydrophobicContact CB-CG2 4.38Å; P157-I196 HydrophobicContact CG-CD1 3.67Å
158	T	78.4	Confident	84.7	Confident	129 Å²	129	35.2 Å²	35.2	79%	0.791	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-69.9	-17.1	177.7	52.5	0	0	0	0	113.2	N156 I160	N156-T158 PolarHBondContact O-N 2.81Å; T158-I160 VanDerWaalsContact C-N 3.34Å
159	E	79.4	Confident	84.3	Confident	66 Å²	66	36.2 Å²	36.2	31%	0.308	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-88.1	1.1	179.9	-67.7	173.8	-149.3	0	0	113.3	S82 S84 P154 N156 P157 P161	S82-E159 PolarHBondContact OG-O 3.44Å; S82-E159 VanDerWaalsContact OG-O 3.12Å; S84-E159 WeakPolarHBondContact CB-OE2 3.5Å; S84-E159 PolarHBondContact OG-OE2 3.39Å; P154-E159 HydrophobicContact CB-CB 4.12Å; P154-E159 HydrophobicContact CG-CB 4.34Å; N156-E159 HydrophobicContact CB-CG 4.07Å; N156-E159 WeakPolarHBondContact CB-OE1 3.39Å; N156-E159 PolarHBondContact ND2-OE1 3.24Å; N156-E159 PolarHBondContact O-N 2.96Å; P157-E159 PolarHBondContact O-N 3.2Å; E159-P161 WeakPolarHBondContact O-CD 3.42Å
160	I	81.1	Confident	84.2	Confident	10 Å²	10	36.1 Å²	36.1	5%	0.051	21%	0.207	C	C	.	.			trans	-82.5	108	177.6	-58.5	172.7	0	0	0	108.1	P154 P157 T158 V164 L197	P154-I160 HydrophobicContact CG-CD1 4.39Å; P154-I160 HydrophobicContact CG-CG1 3.52Å; P157-I160 PolarHBondContact O-N 2.75Å; T158-I160 VanDerWaalsContact C-N 3.34Å; I160-V164 HydrophobicContact CG2-CB 4.19Å; I160-V164 HydrophobicContact CG2-CG1 4.21Å; I160-V164 HydrophobicContact CG2-CG2 4.42Å; I160-L197 HydrophobicContact CD1-CD2 4.4Å
161	P	80.2	Confident	83.9	Confident	52 Å²	52	36.2 Å²	36.2	34%	0.338	21%	0.207	S	C	.	.			trans	-71.1	159.8	177.8	31.4	-36.6	0	0	0	111.5	E159 S163 V164	E159-P161 WeakPolarHBondContact O-CD 3.42Å; P161-S163 VanDerWaalsContact C-N 3.27Å; P161-S163 PolarHBondContact O-N 3.23Å; P161-V164 HydrophobicContact CG-CG2 3.68Å; P161-V164 WeakPolarHBondContact O-CB 3.22Å; P161-V164 PolarHBondContact O-N 2.9Å
162	D	74.8	Confident	83.5	Confident	117 Å²	117	37.2 Å²	37.2	63%	0.626	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.2	179.3	-64.4	-34.8	0	0	0	112.9	V164 H165	D162-V164 PolarHBondContact O-N 3.03Å; D162-H165 WeakPolarHBondContact O-CA 3.16Å; D162-H165 VanDerWaalsContact O-CB 3.26Å; D162-H165 WeakPolarHBondContact O-CB 3.41Å; D162-H165 PolarHBondContact O-N 3.23Å
163	S	77.6	Confident	83.1	Confident	76 Å²	76	37.3 Å²	37.3	53%	0.531	21%	0.212	S	C	.	.	H	α-helix	trans	-60.1	-29.4	172.8	59.4	0	0	0	0	113.1	P161 H165 E166 L167	P161-S163 VanDerWaalsContact C-N 3.27Å; P161-S163 PolarHBondContact O-N 3.23Å; S163-H165 PolarHBondContact O-N 2.92Å; S163-E166 WeakPolarHBondContact O-CB 3.39Å; S163-E166 PolarHBondContact O-N 2.87Å; S163-L167 PolarHBondContact O-N 3.18Å
164	V	82.6	Confident	82.8	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.03	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-31.3	173.7	171.9	0	0	0	0	110.8	L81 I160 P161 D162 E166 L167 L168 F201	L81-V164 HydrophobicContact CB-CG1 4.22Å; L81-V164 HydrophobicContact CB-CG2 4.33Å; L81-V164 HydrophobicContact CD1-CG1 4.49Å; L81-V164 HydrophobicContact CD2-CG1 3.97Å; L81-V164 HydrophobicContact CG-CG1 4.46Å; L81-V164 WeakPolarHBondContact O-CG2 3.47Å; I160-V164 HydrophobicContact CG2-CB 4.19Å; I160-V164 HydrophobicContact CG2-CG1 4.21Å; I160-V164 HydrophobicContact CG2-CG2 4.42Å; P161-V164 HydrophobicContact CG-CG2 3.68Å; P161-V164 WeakPolarHBondContact O-CB 3.22Å; P161-V164 PolarHBondContact O-N 2.9Å; D162-V164 PolarHBondContact O-N 3.03Å; V164-E166 VanDerWaalsContact C-N 3.3Å; V164-E166 PolarHBondContact O-N 2.91Å; V164-L167 PolarHBondContact O-N 2.81Å; V164-L168 HydrophobicContact CG1-CD1 3.79Å; V164-L168 HydrophobicContact CG1-CG 3.97Å; V164-L168 WeakPolarHBondContact O-CB 3.33Å; V164-L168 WeakPolarHBondContact O-CG 3.22Å; V164-L168 PolarHBondContact O-N 3.37Å; V164-F201 HydrophobicContact CG1-CZ 4.47Å
165	H	79.7	Confident	82.1	Confident	76 Å²	76	37.5 Å²	37.5	35%	0.352	21%	0.214	S	C	.	.	H	α-helix	trans	-65.4	-40.3	179.6	177	71.1	0	0	0	111.5	D162 S163 T169 F201 R596	D162-H165 WeakPolarHBondContact O-CA 3.16Å; D162-H165 VanDerWaalsContact O-CB 3.26Å; D162-H165 WeakPolarHBondContact O-CB 3.41Å; D162-H165 PolarHBondContact O-N 3.23Å; S163-H165 PolarHBondContact O-N 2.92Å; H165-T169 VanDerWaalsContact O-CB 3.24Å; H165-T169 WeakPolarHBondContact O-CB 3.46Å; H165-T169 PolarHBondContact O-N 3.35Å; H165-T169 PolarHBondContact O-OG1 3.35Å; H165-F201 VanDerWaalsContact CA-CE1 3.48Å; H165-F201 HydrophobicContact CB-CE1 3.8Å; H165-F201 HydrophobicContact CB-CZ 3.78Å; H165-F201 AromaticContact CG-CE1 3.77Å; H165-F201 AromaticContact ND1-CD1 3.83Å; H165-F201 AromaticContact ND1-CE1 3.07Å; H165-F201 WeakPolarHBondContact ND1-CE1 3.21Å; H165-F201 AromaticContact ND1-CZ 3.73Å; H165-R596 PolarHBondContact CD2-NH2 3.25Å
166	E	81	Confident	81.6	Confident	37 Å²	37	37.2 Å²	37.2	17%	0.173	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-47.5	172	-177.7	168	-171.4	0	0	112.4	S163 V164 L168 T169 A170 E759 L760	S163-E166 WeakPolarHBondContact O-CB 3.39Å; S163-E166 PolarHBondContact O-N 2.87Å; V164-E166 VanDerWaalsContact C-N 3.3Å; V164-E166 PolarHBondContact O-N 2.91Å; E166-L168 PolarHBondContact O-N 3.49Å; E166-T169 PolarHBondContact O-N 3.24Å; E166-A170 WeakPolarHBondContact O-CB 3.35Å; E166-A170 PolarHBondContact O-N 3.15Å; E166-E759 WeakPolarHBondContact OE1-CA 3.28Å; E166-L760 HydrophobicContact CG-CB 4.03Å; E166-L760 WeakPolarHBondContact OE1-CB 3.3Å; E166-L760 PolarHBondContact OE1-N 3.34Å
167	L	87.6	Confident	80.8	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-56.1	-51.4	177.5	173.3	62.3	0	0	0	112.4	I79 L136 C139 S163 V164 A170 I171	I79-L167 HydrophobicContact CG2-CD2 4.06Å; L136-L167 HydrophobicContact CD1-CB 4.06Å; L136-L167 HydrophobicContact CD1-CD1 3.55Å; L136-L167 HydrophobicContact CD1-CG 4.43Å; C139-L167 HydrophobicContact CB-CD1 3.53Å; S163-L167 PolarHBondContact O-N 3.18Å; V164-L167 PolarHBondContact O-N 2.81Å; L167-A170 PolarHBondContact O-N 2.98Å; L167-I171 HydrophobicContact CD1-CD1 3.8Å; L167-I171 HydrophobicContact CD1-CG1 4.25Å; L167-I171 HydrophobicContact CG-CD1 4.01Å; L167-I171 WeakPolarHBondContact O-CG1 3.36Å; L167-I171 PolarHBondContact O-N 3.47Å
168	L	86.9	Confident	81.1	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-39.6	-179.5	-69.1	-178.8	0	0	0	111.5	L81 L151 V164 E166 A170 I171 Y172 F201	L81-L168 HydrophobicContact CD2-CD1 4.5Å; L81-L168 HydrophobicContact CD2-CD2 4.1Å; L81-L168 HydrophobicContact CD2-CG 4.49Å; L151-L168 HydrophobicContact CD1-CD2 3.79Å; L151-L168 HydrophobicContact CD2-CD2 4.23Å; V164-L168 HydrophobicContact CG1-CD1 3.79Å; V164-L168 HydrophobicContact CG1-CG 3.97Å; V164-L168 WeakPolarHBondContact O-CB 3.33Å; V164-L168 WeakPolarHBondContact O-CG 3.22Å; V164-L168 PolarHBondContact O-N 3.37Å; E166-L168 PolarHBondContact O-N 3.49Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-A170 PolarHBondContact O-N 2.73Å; L168-I171 PolarHBondContact O-N 3.15Å; L168-Y172 HydrophobicContact CB-CD2 4.33Å; L168-Y172 HydrophobicContact CB-CE2 4.28Å; L168-Y172 HydrophobicContact CD2-CE2 4.44Å; L168-Y172 WeakPolarHBondContact O-CB 3.48Å; L168-Y172 WeakPolarHBondContact O-CD2 3.4Å; L168-Y172 PolarHBondContact O-N 3.13Å; L168-F201 HydrophobicContact CB-CD1 3.97Å; L168-F201 HydrophobicContact CB-CE1 3.94Å; L168-F201 HydrophobicContact CD1-CD1 3.81Å; L168-F201 HydrophobicContact CD1-CD2 3.91Å; L168-F201 HydrophobicContact CD1-CE1 3.78Å; L168-F201 HydrophobicContact CD1-CE2 3.88Å; L168-F201 HydrophobicContact CD1-CG 3.87Å; L168-F201 HydrophobicContact CD1-CZ 3.83Å; L168-F201 HydrophobicContact CG-CE1 4.41Å
169	T	83.6	Confident	81.4	Confident	24 Å²	24	28.9 Å²	28.9	15%	0.147	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-44.2	175	-60.1	0	0	0	0	110.8	H165 E166 A173 R596 L760	H165-T169 VanDerWaalsContact O-CB 3.24Å; H165-T169 WeakPolarHBondContact O-CB 3.46Å; H165-T169 PolarHBondContact O-N 3.35Å; H165-T169 PolarHBondContact O-OG1 3.35Å; E166-T169 PolarHBondContact O-N 3.24Å; T169-A173 WeakPolarHBondContact O-CB 3.45Å; T169-A173 PolarHBondContact O-N 2.59Å; T169-R596 HydrophobicContact CG2-CG 4.29Å; T169-L760 HydrophobicContact CG2-CD2 4.02Å
170	A	88.2	Confident	81.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-46.7	177.3	0	0	0	0	0	112.1	L140 E166 L167 L168 A173 Q174 L738 L760	L140-A170 HydrophobicContact CD1-CB 4.23Å; L140-A170 HydrophobicContact CD2-CB 3.74Å; E166-A170 WeakPolarHBondContact O-CB 3.35Å; E166-A170 PolarHBondContact O-N 3.15Å; L167-A170 PolarHBondContact O-N 2.98Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-A170 PolarHBondContact O-N 2.73Å; A170-A173 PolarHBondContact O-N 2.86Å; A170-Q174 WeakPolarHBondContact O-CG 3.31Å; A170-Q174 PolarHBondContact O-N 2.96Å; A170-Q174 VanDerWaalsContact O-N 3.16Å; A170-L738 HydrophobicContact CB-CD1 3.84Å; A170-L760 HydrophobicContact CB-CD2 4.16Å
171	I	87.2	Confident	82.4	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-59.8	-50.9	176.7	-69.8	169.8	0	0	0	110.5	I79 L140 A143 L149 L167 L168 A173 Q174 F176	I79-I171 HydrophobicContact CD1-CD1 3.91Å; L140-I171 HydrophobicContact CD2-CG1 3.85Å; A143-I171 HydrophobicContact CB-CG1 4.42Å; L149-I171 HydrophobicContact CD1-CG2 3.73Å; L167-I171 HydrophobicContact CD1-CD1 3.8Å; L167-I171 HydrophobicContact CD1-CG1 4.25Å; L167-I171 HydrophobicContact CG-CD1 4.01Å; L167-I171 WeakPolarHBondContact O-CG1 3.36Å; L167-I171 PolarHBondContact O-N 3.47Å; L168-I171 PolarHBondContact O-N 3.15Å; I171-A173 PolarHBondContact O-N 3.19Å; I171-Q174 PolarHBondContact O-N 2.8Å; I171-F176 HydrophobicContact CG2-CB 3.79Å; I171-F176 HydrophobicContact CG2-CD2 4.06Å; I171-F176 HydrophobicContact CG2-CG 4.2Å; I171-F176 VanDerWaalsContact O-CD2 3.31Å; I171-F176 WeakPolarHBondContact O-CD2 3.42Å
172	Y	84.2	Confident	82.9	Confident	22 Å²	22	22.8 Å²	22.8	9%	0.086	13%	0.125	C	C	.	.	H	α-helix	trans	-68.3	-35.8	-177.9	-71.8	-55.3	0	0	0	112.7	L168 Q174 G175 F176 Y181 P204	L168-Y172 HydrophobicContact CB-CD2 4.33Å; L168-Y172 HydrophobicContact CB-CE2 4.28Å; L168-Y172 HydrophobicContact CD2-CE2 4.44Å; L168-Y172 WeakPolarHBondContact O-CB 3.48Å; L168-Y172 WeakPolarHBondContact O-CD2 3.4Å; L168-Y172 PolarHBondContact O-N 3.13Å; Y172-Q174 PolarHBondContact O-N 2.96Å; Y172-G175 WeakPolarHBondContact O-CA 3.33Å; Y172-G175 PolarHBondContact O-N 3.42Å; Y172-F176 VanDerWaalsContact CD1-O 3.29Å; Y172-F176 WeakPolarHBondContact CD1-O 3.34Å; Y172-Y181 PolarHBondContact OH-OH 3.14Å; Y172-P204 HydrophobicContact CE1-CG 4.01Å; Y172-P204 WeakPolarHBondContact OH-CD 3.36Å
173	A	84.6	Confident	83.8	Confident	3 Å²	3	17.2 Å²	17.2	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-64.3	-26.8	175.2	0	0	0	0	0	113	T169 A170 I171 G175 N736 L738 T763	T169-A173 WeakPolarHBondContact O-CB 3.45Å; T169-A173 PolarHBondContact O-N 2.59Å; A170-A173 PolarHBondContact O-N 2.86Å; I171-A173 PolarHBondContact O-N 3.19Å; A173-G175 PolarHBondContact O-N 2.91Å; A173-N736 WeakPolarHBondContact O-CB 3.47Å; A173-L738 HydrophobicContact CB-CD2 3.57Å; A173-T763 HydrophobicContact CB-CG2 3.53Å
174	Q	84	Confident	84.4	Confident	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.3	170.6	-70.8	-175.1	-7.1	0	0	113.9	N144 A170 I171 Y172 F176 H249 N736 L738	N144-Q174 PolarHBondContact ND2-OE1 3.01Å; A170-Q174 WeakPolarHBondContact O-CG 3.31Å; A170-Q174 PolarHBondContact O-N 2.96Å; A170-Q174 VanDerWaalsContact O-N 3.16Å; I171-Q174 PolarHBondContact O-N 2.8Å; Y172-Q174 PolarHBondContact O-N 2.96Å; Q174-F176 HydrophobicContact CB-CD2 3.82Å; Q174-F176 HydrophobicContact CB-CE2 3.62Å; Q174-H249 PolarHBondContact O-ND1 3.1Å; Q174-N736 PolarHBondContact O-ND2 2.67Å; Q174-L738 HydrophobicContact CG-CD1 3.87Å; Q174-L738 HydrophobicContact CG-CD2 4.27Å; Q174-L738 HydrophobicContact CG-CG 4.01Å
175	G	75.4	Confident	84.7	Confident	5 Å²	5	16 Å²	16	5%	0.052	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	21.7	175.4	0	0	0	0	0	114.1	Y172 A173 T177 A248	Y172-G175 WeakPolarHBondContact O-CA 3.33Å; Y172-G175 PolarHBondContact O-N 3.42Å; A173-G175 PolarHBondContact O-N 2.91Å; G175-T177 PolarHBondContact O-N 2.71Å; G175-A248 WeakPolarHBondContact O-CB 3.42Å
176	F	75.6	Confident	84.9	Confident	37 Å²	37	16.3 Å²	16.3	16%	0.162	10%	0.095	C	C	.	.			trans	-73.4	122.3	174	-72.7	-71.5	0	0	0	111.3	A143 N144 L149 I171 Y172 Q174	A143-F176 HydrophobicContact CB-CD2 4.2Å; A143-F176 HydrophobicContact CB-CE2 4.18Å; A143-F176 WeakPolarHBondContact O-CE1 3.05Å; A143-F176 WeakPolarHBondContact O-CZ 3.33Å; N144-F176 HydrophobicContact CB-CZ 4.07Å; N144-F176 WeakPolarHBondContact OD1-CE2 3.28Å; N144-F176 WeakPolarHBondContact OD1-CZ 3.13Å; L149-F176 HydrophobicContact CD1-CB 4.42Å; I171-F176 HydrophobicContact CG2-CB 3.79Å; I171-F176 HydrophobicContact CG2-CD2 4.06Å; I171-F176 HydrophobicContact CG2-CG 4.2Å; I171-F176 VanDerWaalsContact O-CD2 3.31Å; I171-F176 WeakPolarHBondContact O-CD2 3.42Å; Y172-F176 VanDerWaalsContact CD1-O 3.29Å; Y172-F176 WeakPolarHBondContact CD1-O 3.34Å; Q174-F176 HydrophobicContact CB-CD2 3.82Å; Q174-F176 HydrophobicContact CB-CE2 3.62Å
177	T	69.3	Low	85	Confident	42 Å²	42	19.8 Å²	19.8	26%	0.258	12%	0.124	S	C	.	.			trans	-114.1	-20.6	179.3	57.7	0	0	0	0	113.8	G175 A179 F232	G175-T177 PolarHBondContact O-N 2.71Å; T177-A179 PolarHBondContact O-N 3.18Å; T177-A179 VanDerWaalsContact O-N 3.12Å; T177-F232 HydrophobicContact CG2-CB 4.21Å
178	N	80.8	Confident	84.6	Confident	26 Å²	26	20.2 Å²	20.2	14%	0.139	13%	0.127	C	C	.	.			trans	-90.9	74.8	-172.9	-57.3	-24	0	0	0	109.7	W148 L149 P229	W148-N178 HydrophobicContact CD2-CB 4.19Å; W148-N178 HydrophobicContact CE3-CB 3.76Å; W148-N178 HydrophobicContact CH2-CB 4.46Å; W148-N178 HydrophobicContact CZ3-CB 3.9Å; L149-N178 PolarHBondContact N-O 2.84Å; N178-P229 WeakPolarHBondContact ND2-CA 3.33Å; N178-P229 WeakPolarHBondContact ND2-CB 3.06Å
179	A	86.2	Confident	84.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.1	-179.6	0	0	0	0	0	110.6	L149 L151 T177 P204	L149-A179 HydrophobicContact CB-CB 3.92Å; L149-A179 CarbonylContact O-C 3.59Å; L149-A179 VanDerWaalsContact O-CA 3.31Å; L149-A179 WeakPolarHBondContact O-CA 3.32Å; L151-A179 HydrophobicContact CD1-CB 4.12Å; L151-A179 HydrophobicContact CG-CB 4.45Å; T177-A179 PolarHBondContact O-N 3.18Å; T177-A179 VanDerWaalsContact O-N 3.12Å; A179-P204 HydrophobicContact CB-CG 4.48Å
180	S	89.7	Confident	84.6	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.7	172.2	-63.8	0	0	0	0	110.5	W148 L149 I150 L151 E205	W148-S180 WeakPolarHBondContact CZ2-OG 3.36Å; W148-S180 PolarHBondContact NE1-OG 3.37Å; L149-S180 PolarHBondContact O-N 2.81Å; I150-S180 CarbonylContact C-O 3.37Å; I150-S180 WeakPolarHBondContact CA-O 3.47Å; L151-S180 PolarHBondContact N-O 3.17Å; S180-E205 VanDerWaalsContact CA-OE2 3.28Å; S180-E205 WeakPolarHBondContact CA-OE2 3.33Å; S180-E205 VanDerWaalsContact CB-OE2 3.29Å; S180-E205 WeakPolarHBondContact CB-OE2 3.31Å; S180-E205 PolarHBondContact OG-OE1 3.3Å; S180-E205 PolarHBondContact OG-OE2 3.07Å
181	Y	90.7	Very high	84.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.3	175.4	-69.1	-97.1	0	0	0	109.4	L81 L151 V153 Y172 L197 V203 H209	L81-Y181 HydrophobicContact CD1-CE1 4.45Å; L151-Y181 HydrophobicContact CB-CD1 4Å; L151-Y181 HydrophobicContact CB-CE1 4.2Å; L151-Y181 HydrophobicContact CB-CG 4.48Å; L151-Y181 HydrophobicContact CD1-CD1 4.14Å; L151-Y181 HydrophobicContact CD1-CD2 4.5Å; L151-Y181 HydrophobicContact CD1-CE1 3.6Å; L151-Y181 HydrophobicContact CD1-CE2 3.94Å; L151-Y181 VanDerWaalsContact CD1-CZ 3.5Å; L151-Y181 WeakPolarHBondContact O-CA 3.24Å; V153-Y181 HydrophobicContact CG2-CD1 3.72Å; V153-Y181 HydrophobicContact CG2-CG 4.43Å; Y172-Y181 PolarHBondContact OH-OH 3.14Å; Y181-L197 HydrophobicContact CD1-CD1 3.84Å; Y181-L197 HydrophobicContact CE1-CD1 4.16Å; Y181-V203 HydrophobicContact CD2-CG1 3.76Å; Y181-V203 HydrophobicContact CE2-CB 4.45Å; Y181-V203 HydrophobicContact CE2-CG1 3.5Å; Y181-H209 PolarHBondContact O-N 2.92Å
182	A	92.1	Very high	84.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.8	-179.5	0	0	0	0	0	111.8	I150 L151 L152 V153 H209 L211 L220	I150-A182 HydrophobicContact CG2-CB 3.94Å; L151-A182 PolarHBondContact O-N 2.95Å; L152-A182 CarbonylContact C-O 3.55Å; L152-A182 WeakPolarHBondContact CA-O 3.43Å; L152-A182 HydrophobicContact CD2-CB 4.16Å; V153-A182 PolarHBondContact N-O 2.65Å; A182-H209 CarbonylContact C-O 3.54Å; A182-H209 VanDerWaalsContact CA-O 3.23Å; A182-H209 WeakPolarHBondContact CA-O 3.47Å; A182-L211 HydrophobicContact CB-CB 4.2Å; A182-L211 HydrophobicContact CB-CD2 4.45Å; A182-L220 HydrophobicContact CB-CD2 4.2Å
183	V	93	Very high	84.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.7	177.2	178.3	0	0	0	0	109.7	V153 S188 L190 L193 I208 H209 L211	V153-V183 HydrophobicContact CB-CG2 3.86Å; V153-V183 HydrophobicContact CG1-CG2 4.36Å; V183-S188 WeakPolarHBondContact CG1-OG 3.24Å; V183-L190 HydrophobicContact CB-CD2 4.46Å; V183-L190 HydrophobicContact CG2-CD2 4.28Å; V183-L193 HydrophobicContact CG2-CD1 3.8Å; V183-I208 HydrophobicContact CG2-CG2 3.65Å; V183-H209 PolarHBondContact N-O 2.97Å; V183-L211 PolarHBondContact O-N 2.87Å
184	L	91.2	Very high	84.3	Confident	26 Å²	26	39.5 Å²	39.5	14%	0.136	22%	0.217	C	C	.	.			trans	-77	-26.6	-177.9	-67.5	176.5	0	0	0	114.1	V85 P86 L89 A90 L93 L211 N212	V85-L184 HydrophobicContact CG1-CD1 3.73Å; V85-L184 HydrophobicContact CG1-CG 4.45Å; P86-L184 HydrophobicContact CG-CD1 4.09Å; L89-L184 HydrophobicContact CD2-CD1 4.17Å; L89-L184 HydrophobicContact CD2-CD2 3.83Å; L89-L184 HydrophobicContact CD2-CG 4.41Å; A90-L184 HydrophobicContact CB-CD2 4.01Å; L93-L184 HydrophobicContact CD1-CD2 4.2Å; L184-L211 WeakPolarHBondContact CA-O 3.45Å; L184-L211 HydrophobicContact CD2-CB 4.09Å; L184-L211 HydrophobicContact CD2-CD2 3.8Å; L184-L211 HydrophobicContact CD2-CG 3.92Å; L184-L211 VanDerWaalsContact CD2-O 3.25Å; L184-L211 WeakPolarHBondContact CD2-O 3.12Å; L184-N212 WeakPolarHBondContact O-CA 3.15Å; L184-N212 VanDerWaalsContact O-CB 3.25Å; L184-N212 WeakPolarHBondContact O-CB 3.49Å
185	S	87.7	Confident	84.2	Confident	29 Å²	29	44.6 Å²	44.6	20%	0.203	24%	0.241	C	C	.	.			trans	-85.1	145.9	-175.9	-179.2	0	0	0	0	113.5	S155 S187 S188	S155-S185 WeakPolarHBondContact OG-CB 3.39Å; S185-S187 PolarHBondContact OG-N 2.86Å; S185-S187 PolarHBondContact OG-OG 2.83Å; S185-S188 PolarHBondContact O-OG 3.29Å
186	S	84.9	Confident	84.4	Confident	83 Å²	83	46.1 Å²	46.1	58%	0.58	25%	0.247	S	C	*	.	S	Bend	trans	-76.9	-26.8	172.6	-56.1	0	0	0	0	113.5	N212	S186-N212 WeakPolarHBondContact CB-ND2 3.36Å; S186-N212 WeakPolarHBondContact OG-CB 3.35Å; S186-N212 PolarHBondContact OG-ND2 3.16Å
187	S	81.5	Confident	84.5	Confident	111 Å²	111	44.5 Å²	44.5	78%	0.776	24%	0.24	S	C	*	.	S	Bend	trans	-90.5	-0.8	-170.9	56.8	0	0	0	0	114.4	S185	S185-S187 PolarHBondContact OG-N 2.86Å; S185-S187 PolarHBondContact OG-OG 2.83Å
188	S	80.9	Confident	85	Confident	14 Å²	14	47.1 Å²	47.1	10%	0.098	25%	0.249	C	C	.	.			trans	-75	135.8	-175.2	62	0	0	0	0	112.9	V183 S185 L190	V183-S188 WeakPolarHBondContact CG1-OG 3.24Å; S185-S188 PolarHBondContact O-OG 3.29Å; S188-L190 PolarHBondContact O-N 3.28Å
189	N	84.8	Confident	84.5	Confident	84 Å²	84	55.9 Å²	55.9	45%	0.449	28%	0.28	S	S	.	.			trans	-76	92.5	171.6	-174.5	-3.5	0	0	0	111	K191 E192 L193	N189-K191 PolarHBondContact O-N 2.9Å; N189-K191 PolarHBondContact OD1-N 2.89Å; N189-E192 HydrophobicContact CB-CB 3.99Å; N189-E192 WeakPolarHBondContact ND2-CB 3.47Å; N189-E192 PolarHBondContact ND2-OE2 2.79Å; N189-E192 PolarHBondContact O-N 2.79Å; N189-E192 PolarHBondContact OD1-N 3.47Å; N189-L193 PolarHBondContact O-N 2.95Å
190	L	84.7	Confident	83.7	Confident	50 Å²	50	61.4 Å²	61.4	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-31.9	-177.7	-58.9	178	0	0	0	113.5	V183 S188 K194 I208 Q210	V183-L190 HydrophobicContact CB-CD2 4.46Å; V183-L190 HydrophobicContact CG2-CD2 4.28Å; S188-L190 PolarHBondContact O-N 3.28Å; L190-K194 WeakPolarHBondContact O-CB 3.35Å; L190-K194 PolarHBondContact O-N 2.72Å; L190-I208 HydrophobicContact CD2-CG2 4.14Å; L190-Q210 HydrophobicContact CD1-CG 3.75Å; L190-Q210 HydrophobicContact CD2-CG 3.91Å; L190-Q210 HydrophobicContact CG-CG 4.29Å
191	K	85.1	Confident	82.6	Confident	164 Å²	164	61.8 Å²	61.8	71%	0.713	30%	0.303	S	S	*	.	H	α-helix	trans	-69.8	-42.3	-179.7	-69.7	-178.4	-180	176.5	0	111.2	N189 K194 Q195	N189-K191 PolarHBondContact O-N 2.9Å; N189-K191 PolarHBondContact OD1-N 2.89Å; K191-K194 PolarHBondContact O-N 3.35Å; K191-Q195 VanDerWaalsContact O-CG 3.3Å; K191-Q195 WeakPolarHBondContact O-CG 3.42Å; K191-Q195 PolarHBondContact O-N 3.07Å
192	E	84.3	Confident	81.1	Confident	91 Å²	91	64.9 Å²	64.9	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-68.8	-46.9	177.2	179.1	177	-174.3	0	0	111.3	N189 K194 Q195 I196	N189-E192 HydrophobicContact CB-CB 3.99Å; N189-E192 WeakPolarHBondContact ND2-CB 3.47Å; N189-E192 PolarHBondContact ND2-OE2 2.79Å; N189-E192 PolarHBondContact O-N 2.79Å; N189-E192 PolarHBondContact OD1-N 3.47Å; E192-K194 VanDerWaalsContact C-N 3.26Å; E192-K194 PolarHBondContact O-N 2.97Å; E192-Q195 PolarHBondContact O-N 3.01Å; E192-Q195 VanDerWaalsContact O-N 3.12Å; E192-I196 HydrophobicContact CG-CD1 3.95Å; E192-I196 WeakPolarHBondContact O-CG1 3.48Å; E192-I196 PolarHBondContact O-N 2.85Å
193	L	84	Confident	79.4	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-43.3	173.9	-72.7	178.7	0	0	0	111.5	P157 V183 N189 I196 L197 I208	P157-L193 HydrophobicContact CB-CD2 3.96Å; P157-L193 HydrophobicContact CG-CD2 4.35Å; V183-L193 HydrophobicContact CG2-CD1 3.8Å; N189-L193 PolarHBondContact O-N 2.95Å; L193-I196 PolarHBondContact O-N 2.63Å; L193-L197 WeakPolarHBondContact O-CB 3.23Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 2.96Å; L193-I208 HydrophobicContact CB-CD1 3.99Å
194	K	84.1	Confident	77.8	Confident	64 Å²	64	68.7 Å²	68.7	28%	0.278	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-48	174.9	-179.5	-179.6	168.9	-177.8	0	111.8	L190 K191 E192 I196 L197 E198 S206 I208	L190-K194 WeakPolarHBondContact O-CB 3.35Å; L190-K194 PolarHBondContact O-N 2.72Å; K191-K194 PolarHBondContact O-N 3.35Å; E192-K194 VanDerWaalsContact C-N 3.26Å; E192-K194 PolarHBondContact O-N 2.97Å; K194-I196 VanDerWaalsContact C-N 3.3Å; K194-I196 PolarHBondContact O-N 3.39Å; K194-L197 PolarHBondContact O-N 2.9Å; K194-E198 WeakPolarHBondContact CE-OE1 3.38Å; K194-E198 HydrophobicContact CG-CG 4.19Å; K194-E198 IonicContact NZ-OE1 2.65Å; K194-E198 WeakPolarHBondContact O-CB 3.35Å; K194-E198 WeakPolarHBondContact O-CG 3.42Å; K194-E198 PolarHBondContact O-N 3Å; K194-S206 WeakPolarHBondContact CE-O 3.4Å; K194-S206 PolarHBondContact NZ-O 3.05Å; K194-I208 HydrophobicContact CB-CD1 3.77Å; K194-I208 HydrophobicContact CB-CG1 4.37Å
195	Q	82.6	Confident	76.6	Confident	108 Å²	108	68.2 Å²	68.2	51%	0.505	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-39.1	177.7	-75.6	175.6	5.6	0	0	112.3	K191 E192 R199	K191-Q195 VanDerWaalsContact O-CG 3.3Å; K191-Q195 WeakPolarHBondContact O-CG 3.42Å; K191-Q195 PolarHBondContact O-N 3.07Å; E192-Q195 PolarHBondContact O-N 3.01Å; E192-Q195 VanDerWaalsContact O-N 3.12Å; Q195-R199 WeakPolarHBondContact O-CB 3.48Å; Q195-R199 WeakPolarHBondContact O-CG 3.3Å; Q195-R199 PolarHBondContact O-N 2.86Å
196	I	79	Confident	75.5	Confident	37 Å²	37	70.9 Å²	70.9	19%	0.19	36%	0.363	C	S	.	.	H	α-helix	trans	-69.2	-44.2	178.2	-67	169	0	0	0	110.7	P157 E192 L193 K194 R199 R200	P157-I196 HydrophobicContact CB-CD1 3.42Å; P157-I196 VanDerWaalsContact CB-CD1 3.42Å; P157-I196 HydrophobicContact CB-CG2 4.38Å; P157-I196 HydrophobicContact CG-CD1 3.67Å; E192-I196 HydrophobicContact CG-CD1 3.95Å; E192-I196 WeakPolarHBondContact O-CG1 3.48Å; E192-I196 PolarHBondContact O-N 2.85Å; L193-I196 PolarHBondContact O-N 2.63Å; K194-I196 VanDerWaalsContact C-N 3.3Å; K194-I196 PolarHBondContact O-N 3.39Å; I196-R199 PolarHBondContact O-N 2.83Å; I196-R200 WeakPolarHBondContact O-CG 3.42Å; I196-R200 PolarHBondContact O-N 2.83Å
197	L	78.9	Confident	75.3	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-44.3	176.6	-73	174.9	0	0	0	111.7	V153 I160 Y181 L193 K194 R199 R200 F201 V203 I208	V153-L197 HydrophobicContact CG1-CD1 4.24Å; V153-L197 HydrophobicContact CG2-CD1 4.07Å; I160-L197 HydrophobicContact CD1-CD2 4.4Å; Y181-L197 HydrophobicContact CD1-CD1 3.84Å; Y181-L197 HydrophobicContact CE1-CD1 4.16Å; L193-L197 WeakPolarHBondContact O-CB 3.23Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 2.96Å; K194-L197 PolarHBondContact O-N 2.9Å; L197-R199 VanDerWaalsContact C-N 3.27Å; L197-R199 PolarHBondContact O-N 2.55Å; L197-R200 PolarHBondContact O-N 2.6Å; L197-R200 VanDerWaalsContact O-N 3.16Å; L197-F201 HydrophobicContact CD2-CD2 3.86Å; L197-F201 HydrophobicContact CD2-CE2 4.2Å; L197-F201 CarbonylContact O-C 3.54Å; L197-F201 WeakPolarHBondContact O-CA 3.3Å; L197-F201 WeakPolarHBondContact O-CB 3.42Å; L197-F201 PolarHBondContact O-N 3.47Å; L197-V203 HydrophobicContact CB-CG2 4.14Å; L197-I208 HydrophobicContact CD1-CD1 3.85Å
198	E	79.2	Confident	75.6	Confident	98 Å²	98	66 Å²	66	46%	0.458	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-30.9	176.3	-74.6	178.3	155.4	0	0	112.7	K194 F201 V203	K194-E198 WeakPolarHBondContact CE-OE1 3.38Å; K194-E198 HydrophobicContact CG-CG 4.19Å; K194-E198 IonicContact NZ-OE1 2.65Å; K194-E198 WeakPolarHBondContact O-CB 3.35Å; K194-E198 WeakPolarHBondContact O-CG 3.42Å; K194-E198 PolarHBondContact O-N 3Å; E198-F201 WeakPolarHBondContact CA-O 3.32Å; E198-V203 HydrophobicContact CG-CB 4.48Å; E198-V203 HydrophobicContact CG-CG2 3.98Å
199	R	70.5	Confident	76	Confident	209 Å²	209	67 Å²	67	79%	0.789	33%	0.327	S	S	*	.	H	α-helix	trans	-70.6	-37.7	172.7	-78.5	174.7	-175.3	-173.4	3.9	112.4	Q195 I196 L197	Q195-R199 WeakPolarHBondContact O-CB 3.48Å; Q195-R199 WeakPolarHBondContact O-CG 3.3Å; Q195-R199 PolarHBondContact O-N 2.86Å; I196-R199 PolarHBondContact O-N 2.83Å; L197-R199 VanDerWaalsContact C-N 3.27Å; L197-R199 PolarHBondContact O-N 2.55Å
200	R	68.1	Low	76.3	Confident	117 Å²	117	66 Å²	66	44%	0.442	32%	0.319	S	S	.	.	H	α-helix	trans	-91.3	-25.2	-175.7	-70.4	-173.7	174.3	-152.1	-1.7	113.6	I196 L197	I196-R200 WeakPolarHBondContact O-CG 3.42Å; I196-R200 PolarHBondContact O-N 2.83Å; L197-R200 PolarHBondContact O-N 2.6Å; L197-R200 VanDerWaalsContact O-N 3.16Å
201	F	68.4	Low	76.6	Confident	8 Å²	8	63.6 Å²	63.6	4%	0.035	31%	0.307	C	S	.	.	S	Bend	trans	-146.5	140.9	-167.9	-56.3	-68.2	0	0	0	112.3	V164 H165 L168 L197 E198 V203	V164-F201 HydrophobicContact CG1-CZ 4.47Å; H165-F201 VanDerWaalsContact CA-CE1 3.48Å; H165-F201 HydrophobicContact CB-CE1 3.8Å; H165-F201 HydrophobicContact CB-CZ 3.78Å; H165-F201 AromaticContact CG-CE1 3.77Å; H165-F201 AromaticContact ND1-CD1 3.83Å; H165-F201 AromaticContact ND1-CE1 3.07Å; H165-F201 WeakPolarHBondContact ND1-CE1 3.21Å; H165-F201 AromaticContact ND1-CZ 3.73Å; L168-F201 HydrophobicContact CB-CD1 3.97Å; L168-F201 HydrophobicContact CB-CE1 3.94Å; L168-F201 HydrophobicContact CD1-CD1 3.81Å; L168-F201 HydrophobicContact CD1-CD2 3.91Å; L168-F201 HydrophobicContact CD1-CE1 3.78Å; L168-F201 HydrophobicContact CD1-CE2 3.88Å; L168-F201 HydrophobicContact CD1-CG 3.87Å; L168-F201 HydrophobicContact CD1-CZ 3.83Å; L168-F201 HydrophobicContact CG-CE1 4.41Å; L197-F201 HydrophobicContact CD2-CD2 3.86Å; L197-F201 HydrophobicContact CD2-CE2 4.2Å; L197-F201 CarbonylContact O-C 3.54Å; L197-F201 WeakPolarHBondContact O-CA 3.3Å; L197-F201 WeakPolarHBondContact O-CB 3.42Å; L197-F201 PolarHBondContact O-N 3.47Å; E198-F201 WeakPolarHBondContact CA-O 3.32Å; F201-V203 PolarHBondContact O-N 3.32Å
202	P	58.2	Low	76.9	Confident	64 Å²	64	58 Å²	58	42%	0.416	29%	0.285	S	S	.	.			trans	-70.3	105.5	164.6	22.7	-21	0	0	0	109.3	P204	P202-P204 WeakPolarHBondContact O-CD 3.36Å
203	V	57	Low	77.3	Confident	35 Å²	35	55.7 Å²	55.7	21%	0.212	28%	0.279	C	S	.	.			trans	-82.7	120.8	177.7	-170.2	0	0	0	0	108.8	Y181 L197 E198 F201 E205	Y181-V203 HydrophobicContact CD2-CG1 3.76Å; Y181-V203 HydrophobicContact CE2-CB 4.45Å; Y181-V203 HydrophobicContact CE2-CG1 3.5Å; L197-V203 HydrophobicContact CB-CG2 4.14Å; E198-V203 HydrophobicContact CG-CB 4.48Å; E198-V203 HydrophobicContact CG-CG2 3.98Å; F201-V203 PolarHBondContact O-N 3.32Å; V203-E205 WeakPolarHBondContact CG1-O 3.23Å
204	P	59.9	Low	77.6	Confident	45 Å²	45	57.4 Å²	57.4	29%	0.292	29%	0.291	S	S	.	.	S	Bend	trans	-67.9	-34.4	178.7	25.1	-34.3	0	0	0	112.9	Y172 A179 P202	Y172-P204 HydrophobicContact CE1-CG 4.01Å; Y172-P204 WeakPolarHBondContact OH-CD 3.36Å; A179-P204 HydrophobicContact CB-CG 4.48Å; P202-P204 WeakPolarHBondContact O-CD 3.36Å
205	E	64.9	Low	78	Confident	17 Å²	17	58.4 Å²	58.4	8%	0.079	30%	0.302	C	S	.	.	S	Bend	trans	-100.4	144	179.3	-64.4	-167.5	145.5	0	0	111.7	W148 S180 V203 T207 H209 H223	W148-E205 WeakPolarHBondContact CZ2-OE1 3.24Å; S180-E205 VanDerWaalsContact CA-OE2 3.28Å; S180-E205 WeakPolarHBondContact CA-OE2 3.33Å; S180-E205 VanDerWaalsContact CB-OE2 3.29Å; S180-E205 WeakPolarHBondContact CB-OE2 3.31Å; S180-E205 PolarHBondContact OG-OE1 3.3Å; S180-E205 PolarHBondContact OG-OE2 3.07Å; V203-E205 WeakPolarHBondContact CG1-O 3.23Å; E205-T207 PolarHBondContact O-N 3.04Å; E205-H209 IonicContact OE2-NE2 2.64Å; E205-H223 IonicContact OE1-CD2 3.21Å; E205-H223 IonicContact OE1-CE1 2.76Å; E205-H223 IonicContact OE1-NE2 2.71Å; E205-H223 PolarHBondContact OE1-NE2 3.5Å; E205-H223 IonicContact OE2-NE2 2.82Å
206	S	64.8	Low	78.5	Confident	84 Å²	84	55.5 Å²	55.5	59%	0.587	29%	0.29	S	S	*	.	S	Bend	trans	-78.8	-4.4	179.8	61.3	0	0	0	0	113.7	K194	K194-S206 WeakPolarHBondContact CE-O 3.4Å; K194-S206 PolarHBondContact NZ-O 3.05Å
207	T	81.4	Confident	79.3	Confident	72 Å²	72	53.7 Å²	53.7	44%	0.442	28%	0.281	S	S	.	.			trans	-134.8	135.5	-169.9	53.4	0	0	0	0	112.5	E205	E205-T207 PolarHBondContact O-N 3.04Å
208	I	87	Confident	79.9	Confident	19 Å²	19	54.5 Å²	54.5	10%	0.097	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.1	167.3	-58.5	175.7	0	0	0	107.9	V183 L190 L193 K194 L197	V183-I208 HydrophobicContact CG2-CG2 3.65Å; L190-I208 HydrophobicContact CD2-CG2 4.14Å; L193-I208 HydrophobicContact CB-CD1 3.99Å; K194-I208 HydrophobicContact CB-CD1 3.77Å; K194-I208 HydrophobicContact CB-CG1 4.37Å; L197-I208 HydrophobicContact CD1-CD1 3.85Å
209	H	89.5	Confident	80.6	Confident	37 Å²	37	54.7 Å²	54.7	17%	0.171	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	140.3	178.6	-62	-90.9	0	0	0	110.7	Y181 A182 V183 E205 L220	Y181-H209 PolarHBondContact O-N 2.92Å; A182-H209 CarbonylContact C-O 3.54Å; A182-H209 VanDerWaalsContact CA-O 3.23Å; A182-H209 WeakPolarHBondContact CA-O 3.47Å; V183-H209 PolarHBondContact N-O 2.97Å; E205-H209 IonicContact OE2-NE2 2.64Å; H209-L220 HydrophobicContact CB-CD1 4.31Å; H209-L220 HydrophobicContact CB-CD2 4.45Å
210	Q	91.1	Very high	81.7	Confident	62 Å²	62	44.8 Å²	44.8	29%	0.29	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	137.6	164.8	-75.3	177.8	-35.4	0	0	108.9	L190 N216	L190-Q210 HydrophobicContact CD1-CG 3.75Å; L190-Q210 HydrophobicContact CD2-CG 3.91Å; L190-Q210 HydrophobicContact CG-CG 4.29Å; Q210-N216 VanDerWaalsContact O-CB 3.31Å; Q210-N216 WeakPolarHBondContact O-CB 3.33Å
211	L	91.5	Very high	82.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.228	C	C	.	.			trans	-129.1	58.8	176.4	-173.5	66	0	0	0	108.4	A90 L93 F94 L152 A182 V183 L184 A217	A90-L211 HydrophobicContact CB-CD2 3.81Å; L93-L211 HydrophobicContact CB-CD1 4.45Å; L93-L211 HydrophobicContact CD1-CD1 4.47Å; L93-L211 HydrophobicContact CD1-CG 3.98Å; L93-L211 WeakPolarHBondContact CD1-O 3.46Å; F94-L211 HydrophobicContact CE1-CD1 3.98Å; F94-L211 HydrophobicContact CE2-CD1 4.25Å; F94-L211 HydrophobicContact CE2-CD2 3.73Å; F94-L211 HydrophobicContact CZ-CD1 3.79Å; F94-L211 HydrophobicContact CZ-CD2 3.87Å; L152-L211 HydrophobicContact CD2-CD2 4.14Å; A182-L211 HydrophobicContact CB-CB 4.2Å; A182-L211 HydrophobicContact CB-CD2 4.45Å; V183-L211 PolarHBondContact O-N 2.87Å; L184-L211 WeakPolarHBondContact CA-O 3.45Å; L184-L211 HydrophobicContact CD2-CB 4.09Å; L184-L211 HydrophobicContact CD2-CD2 3.8Å; L184-L211 HydrophobicContact CD2-CG 3.92Å; L184-L211 VanDerWaalsContact CD2-O 3.25Å; L184-L211 WeakPolarHBondContact CD2-O 3.12Å; L211-A217 HydrophobicContact CD1-CB 3.56Å
212	N	91	Very high	84.1	Confident	46 Å²	46	43 Å²	43	25%	0.246	24%	0.242	C	C	.	.	S	Bend	trans	-111.6	-9.3	-178.4	61.5	-15.7	0	0	0	113.1	L184 S186 N216	L184-N212 WeakPolarHBondContact O-CA 3.15Å; L184-N212 VanDerWaalsContact O-CB 3.25Å; L184-N212 WeakPolarHBondContact O-CB 3.49Å; S186-N212 WeakPolarHBondContact CB-ND2 3.36Å; S186-N212 WeakPolarHBondContact OG-CB 3.35Å; S186-N212 PolarHBondContact OG-ND2 3.16Å; N212-N216 PolarHBondContact OD1-ND2 3.23Å
213	S	92.5	Very high	85.6	Confident	42 Å²	42	42.5 Å²	42.5	29%	0.294	23%	0.234	S	C	.	.	S	Bend	trans	-141.4	155.3	179.6	90.9	0	0	0	0	111.1	T215 N216 A217	S213-T215 PolarHBondContact O-N 2.69Å; S213-T215 PolarHBondContact OG-N 3.39Å; S213-N216 PolarHBondContact O-N 3.33Å; S213-N216 VanDerWaalsContact O-N 3.14Å; S213-N216 PolarHBondContact OG-N 2.84Å; S213-A217 PolarHBondContact O-N 3.31Å
214	S	90.8	Very high	87.2	Confident	40 Å²	40	40.8 Å²	40.8	28%	0.28	22%	0.223	S	C	.	.	H	α-helix	trans	-54.6	-39.5	173.7	-62.8	0	0	0	0	112.9	T96 N216 A217 L218	T96-S214 WeakPolarHBondContact O-CB 3.47Å; T96-S214 PolarHBondContact O-OG 3.39Å; T96-S214 PolarHBondContact OG1-OG 2.94Å; S214-N216 PolarHBondContact O-N 2.81Å; S214-A217 WeakPolarHBondContact O-CB 3.42Å; S214-A217 PolarHBondContact O-N 3.43Å; S214-L218 PolarHBondContact O-N 3.23Å
215	T	92	Very high	88.5	Confident	84 Å²	84	40 Å²	40	52%	0.515	22%	0.22	S	C	.	.	H	α-helix	trans	-63.7	-43.4	177.7	-49.5	0	0	0	0	111.2	S213 L218 H219	S213-T215 PolarHBondContact O-N 2.69Å; S213-T215 PolarHBondContact OG-N 3.39Å; T215-L218 WeakPolarHBondContact O-CB 3.49Å; T215-L218 PolarHBondContact O-N 2.96Å; T215-H219 PolarHBondContact O-CD2 2.96Å; T215-H219 PolarHBondContact O-N 3.32Å
216	N	93.7	Very high	89.4	Confident	47 Å²	47	43 Å²	43	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-67.6	-38	178.1	-79.2	-10.8	0	0	0	112.1	Q210 N212 S213 S214 L218 H219 L220	Q210-N216 VanDerWaalsContact O-CB 3.31Å; Q210-N216 WeakPolarHBondContact O-CB 3.33Å; N212-N216 PolarHBondContact OD1-ND2 3.23Å; S213-N216 PolarHBondContact O-N 3.33Å; S213-N216 VanDerWaalsContact O-N 3.14Å; S213-N216 PolarHBondContact OG-N 2.84Å; S214-N216 PolarHBondContact O-N 2.81Å; N216-L218 VanDerWaalsContact C-N 3.31Å; N216-L218 PolarHBondContact O-N 3.09Å; N216-H219 PolarHBondContact O-N 3.39Å; N216-L220 PolarHBondContact O-N 3.44Å
217	A	94.1	Very high	90.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-45	170.5	0	0	0	0	0	111.4	L93 F94 C97 L211 S213 S214 H219 L220 L221	L93-A217 HydrophobicContact CB-CB 4.33Å; L93-A217 WeakPolarHBondContact O-CB 3.38Å; F94-A217 HydrophobicContact CD1-CB 3.79Å; F94-A217 HydrophobicContact CE1-CB 4.03Å; C97-A217 HydrophobicContact CB-CB 4.18Å; L211-A217 HydrophobicContact CD1-CB 3.56Å; S213-A217 PolarHBondContact O-N 3.31Å; S214-A217 WeakPolarHBondContact O-CB 3.42Å; S214-A217 PolarHBondContact O-N 3.43Å; A217-H219 PolarHBondContact O-N 2.81Å; A217-L220 PolarHBondContact O-N 3.18Å; A217-L221 WeakPolarHBondContact O-CG 3.35Å; A217-L221 PolarHBondContact O-N 3.42Å
218	L	93.3	Very high	89.5	Confident	18 Å²	18	38.6 Å²	38.6	9%	0.094	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-38.6	175.4	-179	61.1	0	0	0	112.9	C97 E98 I121 L122 S214 T215 N216 L220 L221 R222	C97-L218 HydrophobicContact CB-CB 4.28Å; E98-L218 HydrophobicContact CG-CD1 4.13Å; E98-L218 HydrophobicContact CG-CD2 4.17Å; E98-L218 WeakPolarHBondContact OE1-CD1 3.11Å; I121-L218 HydrophobicContact CD1-CD2 3.82Å; L122-L218 HydrophobicContact CD1-CD1 4.24Å; L122-L218 HydrophobicContact CG-CD1 4.34Å; S214-L218 PolarHBondContact O-N 3.23Å; T215-L218 WeakPolarHBondContact O-CB 3.49Å; T215-L218 PolarHBondContact O-N 2.96Å; N216-L218 VanDerWaalsContact C-N 3.31Å; N216-L218 PolarHBondContact O-N 3.09Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L221 PolarHBondContact O-N 3.28Å; L218-R222 WeakPolarHBondContact O-CB 3.48Å; L218-R222 PolarHBondContact O-N 3.01Å
219	H	93.1	Very high	88.3	Confident	103 Å²	103	40 Å²	40	48%	0.477	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-41.8	174.6	-77.2	-71.1	0	0	0	112.2	T215 N216 A217 R222 H223	T215-H219 PolarHBondContact O-CD2 2.96Å; T215-H219 PolarHBondContact O-N 3.32Å; N216-H219 PolarHBondContact O-N 3.39Å; A217-H219 PolarHBondContact O-N 2.81Å; H219-R222 PolarHBondContact ND1-NH1 3.28Å; H219-R222 PolarHBondContact O-N 3.18Å; H219-H223 PolarHBondContact O-N 3.05Å
220	L	93.3	Very high	86.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-42.9	176	-178	54.7	0	0	0	111.7	F94 I150 A182 H209 N216 A217 L218 R222 H223 I224	F94-L220 HydrophobicContact CE1-CB 4.48Å; F94-L220 HydrophobicContact CE1-CD2 4.27Å; F94-L220 HydrophobicContact CE1-CG 4.5Å; F94-L220 HydrophobicContact CZ-CD2 3.82Å; F94-L220 HydrophobicContact CZ-CG 4.45Å; I150-L220 HydrophobicContact CG2-CD2 4.31Å; A182-L220 HydrophobicContact CB-CD2 4.2Å; H209-L220 HydrophobicContact CB-CD1 4.31Å; H209-L220 HydrophobicContact CB-CD2 4.45Å; N216-L220 PolarHBondContact O-N 3.44Å; A217-L220 PolarHBondContact O-N 3.18Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.4Å; L220-H223 WeakPolarHBondContact O-CB 3.27Å; L220-H223 PolarHBondContact O-N 3.41Å; L220-I224 HydrophobicContact CD1-CD1 4.28Å; L220-I224 HydrophobicContact CD1-CG1 4.43Å; L220-I224 HydrophobicContact CG-CD1 4.14Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.23Å; L220-I224 PolarHBondContact O-N 3.28Å
221	L	93.6	Very high	83.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-38.4	173.6	-69.2	179.6	0	0	0	112.5	F94 I117 L122 F126 A217 L218 I224 A225	F94-L221 HydrophobicContact CD1-CD1 3.98Å; F94-L221 HydrophobicContact CD1-CD2 3.84Å; F94-L221 HydrophobicContact CD1-CG 3.75Å; F94-L221 HydrophobicContact CE1-CD2 3.94Å; F94-L221 HydrophobicContact CE1-CG 3.93Å; I117-L221 HydrophobicContact CD1-CD1 3.72Å; I117-L221 HydrophobicContact CD1-CD2 4.3Å; L122-L221 HydrophobicContact CD1-CB 3.8Å; F126-L221 HydrophobicContact CD1-CD2 3.91Å; F126-L221 HydrophobicContact CD2-CD2 4.27Å; F126-L221 HydrophobicContact CE1-CB 4.47Å; F126-L221 HydrophobicContact CE1-CD2 3.96Å; F126-L221 HydrophobicContact CE2-CB 4.37Å; F126-L221 HydrophobicContact CE2-CD1 4.46Å; F126-L221 HydrophobicContact CE2-CD2 4.32Å; F126-L221 HydrophobicContact CG-CD2 4.06Å; F126-L221 HydrophobicContact CZ-CB 4.03Å; F126-L221 HydrophobicContact CZ-CD2 4.16Å; A217-L221 WeakPolarHBondContact O-CG 3.35Å; A217-L221 PolarHBondContact O-N 3.42Å; L218-L221 PolarHBondContact O-N 3.28Å; L221-I224 PolarHBondContact O-N 3.16Å; L221-A225 WeakPolarHBondContact O-CB 3.44Å; L221-A225 PolarHBondContact O-N 3.12Å
222	R	92.6	Very high	81.1	Confident	89 Å²	89	47 Å²	47	34%	0.336	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-41.6	175.3	-173.3	179	-66.1	101.6	-1.4	111.4	L122 L218 H219 L220 A225 S226	L122-R222 HydrophobicContact CD1-CB 4.37Å; L122-R222 HydrophobicContact CD2-CB 3.89Å; L122-R222 HydrophobicContact CD2-CG 3.86Å; L218-R222 WeakPolarHBondContact O-CB 3.48Å; L218-R222 PolarHBondContact O-N 3.01Å; H219-R222 PolarHBondContact ND1-NH1 3.28Å; H219-R222 PolarHBondContact O-N 3.18Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.4Å; R222-A225 PolarHBondContact O-N 3.29Å; R222-S226 VanDerWaalsContact O-CB 3.31Å; R222-S226 WeakPolarHBondContact O-CB 3.37Å; R222-S226 PolarHBondContact O-N 2.87Å; R222-S226 PolarHBondContact O-OG 3.14Å; R222-S226 VanDerWaalsContact O-OG 3.07Å
223	H	90.6	Very high	78.4	Confident	52 Å²	52	51 Å²	51	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-56.7	-56.2	173.7	179	65.8	0	0	0	109.8	W148 E205 H219 L220 A225 S226 T227	W148-H223 AromaticContact CZ2-NE2 3.96Å; E205-H223 IonicContact OE1-CD2 3.21Å; E205-H223 IonicContact OE1-CE1 2.76Å; E205-H223 IonicContact OE1-NE2 2.71Å; E205-H223 PolarHBondContact OE1-NE2 3.5Å; E205-H223 IonicContact OE2-NE2 2.82Å; H219-H223 PolarHBondContact O-N 3.05Å; L220-H223 WeakPolarHBondContact O-CB 3.27Å; L220-H223 PolarHBondContact O-N 3.41Å; H223-A225 VanDerWaalsContact C-N 3.32Å; H223-A225 PolarHBondContact O-N 3.09Å; H223-S226 PolarHBondContact O-N 3.49Å; H223-S226 PolarHBondContact O-OG 2.89Å; H223-T227 VanDerWaalsContact O-CG2 3.32Å; H223-T227 WeakPolarHBondContact O-CG2 3.18Å; H223-T227 PolarHBondContact O-N 3.28Å; H223-T227 PolarHBondContact O-OG1 3.41Å; H223-T227 VanDerWaalsContact O-OG1 3.08Å
224	I	89.9	Confident	75.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.3	-40.6	-180	-63.7	169.1	0	0	0	112.7	I74 F126 W148 I150 L220 L221 T227	I74-I224 HydrophobicContact CG2-CG2 4.02Å; F126-I224 HydrophobicContact CE1-CG2 4.21Å; W148-I224 HydrophobicContact CB-CG2 3.99Å; W148-I224 HydrophobicContact CD2-CB 4.4Å; W148-I224 HydrophobicContact CD2-CG1 3.97Å; W148-I224 HydrophobicContact CD2-CG2 4Å; W148-I224 HydrophobicContact CE3-CG2 4.26Å; W148-I224 HydrophobicContact CG-CB 4.47Å; W148-I224 HydrophobicContact CG-CD1 4.18Å; W148-I224 HydrophobicContact CG-CG1 3.9Å; W148-I224 HydrophobicContact CG-CG2 3.87Å; I150-I224 HydrophobicContact CD1-CD1 3.77Å; I150-I224 HydrophobicContact CG1-CD1 4.17Å; L220-I224 HydrophobicContact CD1-CD1 4.28Å; L220-I224 HydrophobicContact CD1-CG1 4.43Å; L220-I224 HydrophobicContact CG-CD1 4.14Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.23Å; L220-I224 PolarHBondContact O-N 3.28Å; L221-I224 PolarHBondContact O-N 3.16Å; I224-T227 PolarHBondContact O-OG1 2.9Å; I224-T227 VanDerWaalsContact O-OG1 3.14Å
225	A	88.3	Confident	72.4	Confident	27 Å²	27	60 Å²	60	22%	0.223	33%	0.33	C	S	.	.	H	α-helix	trans	-70.9	-32.3	179.2	0	0	0	0	0	113	L122 K124 F126 L221 R222 H223	L122-A225 HydrophobicContact CD1-CB 4.48Å; K124-A225 HydrophobicContact CG-CB 4.43Å; F126-A225 HydrophobicContact CE1-CB 4.46Å; F126-A225 HydrophobicContact CZ-CB 4.06Å; L221-A225 WeakPolarHBondContact O-CB 3.44Å; L221-A225 PolarHBondContact O-N 3.12Å; R222-A225 PolarHBondContact O-N 3.29Å; H223-A225 VanDerWaalsContact C-N 3.32Å; H223-A225 PolarHBondContact O-N 3.09Å
226	S	83.9	Confident	69.4	Low	82 Å²	82	57.9 Å²	57.9	57%	0.573	32%	0.324	S	S	*	.	H	α-helix	trans	-86.7	-24.7	-177.7	71.1	0	0	0	0	113.6	R222 H223	R222-S226 VanDerWaalsContact O-CB 3.31Å; R222-S226 WeakPolarHBondContact O-CB 3.37Å; R222-S226 PolarHBondContact O-N 2.87Å; R222-S226 PolarHBondContact O-OG 3.14Å; R222-S226 VanDerWaalsContact O-OG 3.07Å; H223-S226 PolarHBondContact O-N 3.49Å; H223-S226 PolarHBondContact O-OG 2.89Å
227	T	80.1	Confident	66.4	Low	24 Å²	24	65.3 Å²	65.3	15%	0.147	35%	0.354	C	S	.	.	S	Bend	trans	-75.7	130.2	178.1	50.6	0	0	0	0	110.7	R67 W148 H223 I224	R67-T227 PolarHBondContact NH1-O 2.71Å; R67-T227 PolarHBondContact NH2-O 3.46Å; W148-T227 HydrophobicContact CH2-CG2 3.9Å; W148-T227 WeakPolarHBondContact CH2-OG1 2.93Å; W148-T227 WeakPolarHBondContact CZ3-OG1 3.34Å; H223-T227 VanDerWaalsContact O-CG2 3.32Å; H223-T227 WeakPolarHBondContact O-CG2 3.18Å; H223-T227 PolarHBondContact O-N 3.28Å; H223-T227 PolarHBondContact O-OG1 3.41Å; H223-T227 VanDerWaalsContact O-OG1 3.08Å; I224-T227 PolarHBondContact O-OG1 2.9Å; I224-T227 VanDerWaalsContact O-OG1 3.14Å
228	N	67.4	Low	63.5	Low	39 Å²	39	72 Å²	72	21%	0.209	39%	0.39	C	S	.	.			trans	-89.1	123.1	172.5	-82.5	-36.2	0	0	0	110	E64 R67 S230 S231	E64-N228 WeakPolarHBondContact CG-OD1 3.44Å; E64-N228 PolarHBondContact OE1-ND2 2.98Å; R67-N228 PolarHBondContact NH1-OD1 2.91Å; N228-S230 PolarHBondContact O-N 2.92Å; N228-S231 PolarHBondContact O-N 3.35Å; N228-S231 PolarHBondContact O-OG 3.38Å
229	P	62.5	Low	60.7	Low	49 Å²	49	73 Å²	73	32%	0.318	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-7.6	-177	24.6	-33.9	0	0	0	113.4	N178	N178-P229 WeakPolarHBondContact ND2-CA 3.33Å; N178-P229 WeakPolarHBondContact ND2-CB 3.06Å
230	S	50.3	Low	57.7	Low	92 Å²	92	77.7 Å²	77.7	64%	0.643	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	1.2	-178.6	71.5	0	0	0	0	115.2	N228	N228-S230 PolarHBondContact O-N 2.92Å
231	S	35.9	Very low	54.9	Low	81 Å²	81	82.2 Å²	82.2	57%	0.566	45%	0.447	S	S	*	.			trans	-87.6	-11.5	-176.8	59	0	0	0	0	115.1	N228 H233	N228-S231 PolarHBondContact O-N 3.35Å; N228-S231 PolarHBondContact O-OG 3.38Å; S231-H233 VanDerWaalsContact C-N 3.31Å; S231-H233 PolarHBondContact O-N 3.28Å
232	F	34.4	Very low	52.1	Low	73 Å²	73	85.4 Å²	85.4	32%	0.32	47%	0.474	S	S	.	.			trans	-93.6	42.5	179.5	-70.3	-80.1	0	0	0	113.5	T177 A234	T177-F232 HydrophobicContact CG2-CB 4.21Å; F232-A234 PolarHBondContact O-N 3.42Å
233	H	34.7	Very low	49.6	Very low	129 Å²	129	81.8 Å²	81.8	60%	0.597	46%	0.464	S	S	*	.			trans	-77.7	62.4	145.2	-78.2	-58.9	0	0	0	107.9	S231 K235	S231-H233 VanDerWaalsContact C-N 3.31Å; S231-H233 PolarHBondContact O-N 3.28Å; H233-K235 PolarHBondContact O-N 3.19Å
234	A	30.3	Very low	47.2	Very low	60 Å²	60	82.3 Å²	82.3	50%	0.496	47%	0.467	S	S	.	.			trans	-67.6	109.5	175.3	0	0	0	0	0	107.6	F232 G236	F232-A234 PolarHBondContact O-N 3.42Å; A234-G236 PolarHBondContact O-N 2.95Å
235	K	26.8	Very low	44.8	Very low	212 Å²	212	83.8 Å²	83.8	92%	0.922	48%	0.477	S	S	*	.			trans	-62.5	64.1	150.5	-69.7	-176.8	174.4	-173.1	0	108.2	H233 K237	H233-K235 PolarHBondContact O-N 3.19Å; K235-K237 PolarHBondContact O-N 3.08Å
236	G	28.6	Very low	42.5	Very low	38 Å²	38	86.1 Å²	86.1	39%	0.392	49%	0.489	S	S	.	.			trans	-77.4	119.6	176.8	0	0	0	0	0	108.6	A234 N238 A239	A234-G236 PolarHBondContact O-N 2.95Å; G236-N238 PolarHBondContact O-N 2.94Å; G236-A239 WeakPolarHBondContact O-CB 3.4Å; G236-A239 PolarHBondContact O-N 3.07Å
237	K	30.8	Very low	40.8	Very low	204 Å²	204	84.5 Å²	84.5	89%	0.887	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.1	172.4	-71.1	-179.6	175.1	-178.1	0	113.1	K235	K235-K237 PolarHBondContact O-N 3.08Å
238	N	32.1	Very low	39.5	Very low	141 Å²	141	85.5 Å²	85.5	75%	0.754	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	2.3	178.4	-65.6	0.9	0	0	0	113.9	G236 K240 V241	G236-N238 PolarHBondContact O-N 2.94Å; N238-K240 PolarHBondContact O-N 3.07Å; N238-K240 VanDerWaalsContact O-N 3.13Å; N238-V241 WeakPolarHBondContact O-CG2 3.44Å; N238-V241 PolarHBondContact O-N 2.93Å
239	A	35.7	Very low	38.9	Very low	39 Å²	39	84.2 Å²	84.2	32%	0.322	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	3.2	177.1	0	0	0	0	0	114.2	G236 V241 T246	G236-A239 WeakPolarHBondContact O-CB 3.4Å; G236-A239 PolarHBondContact O-N 3.07Å; A239-V241 VanDerWaalsContact C-N 3.29Å; A239-T246 HydrophobicContact CB-CG2 3.4Å; A239-T246 VanDerWaalsContact CB-CG2 3.4Å
240	K	29.9	Very low	38.3	Very low	200 Å²	200	83.3 Å²	83.3	87%	0.87	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	3.1	172.2	-72.8	-168.5	174.1	-168.3	0	113.3	N238 A242	N238-K240 PolarHBondContact O-N 3.07Å; N238-K240 VanDerWaalsContact O-N 3.13Å; K240-A242 PolarHBondContact O-N 3.03Å; K240-A242 VanDerWaalsContact O-N 3.15Å
241	V	34.5	Very low	38.7	Very low	95 Å²	95	79.1 Å²	79.1	58%	0.576	44%	0.443	S	S	*	.	S	Bend	trans	-63.1	118.5	166.4	-179.3	0	0	0	0	106.8	N238 A239 G243	N238-V241 WeakPolarHBondContact O-CG2 3.44Å; N238-V241 PolarHBondContact O-N 2.93Å; A239-V241 VanDerWaalsContact C-N 3.29Å; V241-G243 PolarHBondContact O-N 2.98Å
242	A	33.9	Very low	40.2	Very low	67 Å²	67	76.4 Å²	76.4	55%	0.554	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.6	129.6	-165.6	0	0	0	0	0	113.4	K240	K240-A242 PolarHBondContact O-N 3.03Å; K240-A242 VanDerWaalsContact O-N 3.15Å
243	G	40.1	Very low	42	Very low	14 Å²	14	80.2 Å²	80.2	14%	0.144	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	1	165.4	0	0	0	0	0	118.8	V241 T763	V241-G243 PolarHBondContact O-N 2.98Å; G243-T763 PolarHBondContact O-OG1 3.43Å
244	Q	40.5	Very low	44.4	Very low	63 Å²	63	74.6 Å²	74.6	29%	0.294	41%	0.412	S	S	.	.			trans	-94.7	112	178.3	-65.4	-172.3	-9.6	0	0	113	T246	Q244-T246 PolarHBondContact O-N 3.42Å
245	S	40.1	Very low	47.1	Very low	30 Å²	30	72.2 Å²	72.2	21%	0.21	39%	0.39	C	S	.	.			trans	-69.7	119.9	171.8	179.1	0	0	0	0	110.5	V247 N736	S245-V247 PolarHBondContact O-N 3.08Å; S245-N736 VanDerWaalsContact CB-OD1 3.27Å; S245-N736 WeakPolarHBondContact CB-OD1 3.22Å; S245-N736 PolarHBondContact OG-OD1 3.49Å
246	T	41.1	Very low	50.2	Low	76 Å²	76	62.3 Å²	62.3	47%	0.466	35%	0.347	S	S	.	.			trans	-75.4	-5.2	179.1	54.6	0	0	0	0	114.4	A239 Q244	A239-T246 HydrophobicContact CB-CG2 3.4Å; A239-T246 VanDerWaalsContact CB-CG2 3.4Å; Q244-T246 PolarHBondContact O-N 3.42Å
247	V	47.2	Very low	53.2	Low	48 Å²	48	62 Å²	62	29%	0.291	34%	0.335	S	S	.	.	S	Bend	trans	-112.5	106.6	-170.8	-167.2	0	0	0	0	108.5	S245 T250 P734 N736	S245-V247 PolarHBondContact O-N 3.08Å; V247-T250 HydrophobicContact CG1-CG2 4.37Å; V247-P734 HydrophobicContact CB-CB 4.23Å; V247-P734 HydrophobicContact CG1-CB 3.78Å; V247-P734 HydrophobicContact CG1-CG 3.58Å; V247-N736 PolarHBondContact O-ND2 2.9Å; V247-N736 PolarHBondContact O-OD1 2.85Å
248	A	52.9	Low	56.2	Low	45 Å²	45	52.4 Å²	52.4	37%	0.372	29%	0.293	S	S	.	.			trans	-48.7	143.1	165	0	0	0	0	0	109.5	G175 T250	G175-A248 WeakPolarHBondContact O-CB 3.42Å; A248-T250 VanDerWaalsContact C-N 3.29Å; A248-T250 PolarHBondContact O-N 3.35Å
249	H	54.5	Low	59.2	Low	13 Å²	13	46 Å²	46	6%	0.06	26%	0.258	C	S	.	.			trans	-66.9	90.1	-180	56.2	-84	0	0	0	109.9	N144 Q174 G251 A252 P734	N144-H249 PolarHBondContact OD1-CE1 2.86Å; Q174-H249 PolarHBondContact O-ND1 3.1Å; H249-G251 PolarHBondContact O-N 3.18Å; H249-A252 PolarHBondContact O-N 2.76Å; H249-P734 WeakPolarHBondContact CA-O 3.34Å; H249-P734 WeakPolarHBondContact CB-O 3.49Å
250	T	49.9	Very low	62	Low	29 Å²	29	44.2 Å²	44.2	18%	0.178	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-55.6	-17.7	-171.6	61.5	0	0	0	0	114	V247 A248 A252 R253 P734	V247-T250 HydrophobicContact CG1-CG2 4.37Å; A248-T250 VanDerWaalsContact C-N 3.29Å; A248-T250 PolarHBondContact O-N 3.35Å; T250-A252 PolarHBondContact O-N 3.03Å; T250-R253 VanDerWaalsContact O-CG 3.23Å; T250-R253 WeakPolarHBondContact O-CG 3.39Å; T250-R253 PolarHBondContact O-N 3.47Å; T250-P734 HydrophobicContact CG2-CG 3.67Å; T250-P734 WeakPolarHBondContact OG1-CD 3.3Å; T250-P734 WeakPolarHBondContact OG1-CG 3.32Å
251	G	58.7	Low	64.9	Low	4 Å²	4	35.7 Å²	35.7	4%	0.041	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-56.8	-31.7	173.9	0	0	0	0	0	113.5	H249 R253 Y254 R255	H249-G251 PolarHBondContact O-N 3.18Å; G251-R253 PolarHBondContact O-N 3.36Å; G251-Y254 WeakPolarHBondContact O-CB 3.38Å; G251-Y254 PolarHBondContact O-N 3.1Å; G251-R255 PolarHBondContact O-NH1 2.81Å
252	A	67.4	Low	67.6	Low	24 Å²	24	32.5 Å²	32.5	20%	0.198	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-58.4	-33.7	-177.1	0	0	0	0	0	113	H249 T250 Y254 R255 W577	H249-A252 PolarHBondContact O-N 2.76Å; T250-A252 PolarHBondContact O-N 3.03Å; A252-Y254 PolarHBondContact O-N 3.08Å; A252-R255 PolarHBondContact O-N 3.36Å; A252-R255 VanDerWaalsContact O-N 3.16Å; A252-W577 HydrophobicContact CB-CZ3 4.49Å
253	R	73.4	Confident	70.4	Confident	153 Å²	153	29.8 Å²	29.8	58%	0.577	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-67	-20.5	179	83.9	-164	176.2	171.6	-3.7	114	T250 G251	T250-R253 VanDerWaalsContact O-CG 3.23Å; T250-R253 WeakPolarHBondContact O-CG 3.39Å; T250-R253 PolarHBondContact O-N 3.47Å; G251-R253 PolarHBondContact O-N 3.36Å
254	Y	83.7	Confident	72.9	Confident	12 Å²	12	32.3 Å²	32.3	5%	0.047	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-96.3	-2.2	-179.2	-62.8	-60.7	0	0	0	112.3	G251 A252 I506 I509 E510 L513	G251-Y254 WeakPolarHBondContact O-CB 3.38Å; G251-Y254 PolarHBondContact O-N 3.1Å; A252-Y254 PolarHBondContact O-N 3.08Å; Y254-I506 HydrophobicContact CE2-CG1 4.49Å; Y254-I506 HydrophobicContact CE2-CG2 4.31Å; Y254-I506 WeakPolarHBondContact OH-CG2 3.38Å; Y254-I509 HydrophobicContact CD1-CB 4.47Å; Y254-I509 HydrophobicContact CD1-CG2 3.72Å; Y254-I509 HydrophobicContact CG-CG2 4.17Å; Y254-E510 HydrophobicContact CE1-CG 3.76Å; Y254-E510 PolarHBondContact OH-OE1 2.79Å; Y254-L513 HydrophobicContact CD1-CD1 3.91Å; Y254-L513 HydrophobicContact CE1-CD1 4.38Å
255	R	88.1	Confident	75.3	Confident	10 Å²	10	31.8 Å²	31.8	4%	0.038	17%	0.174	C	C	.	.	S	Bend	trans	-106.7	148.4	-178.3	-64.5	-175.8	-173.5	97.7	2.8	110.7	G251 A252 A291 W577 S578 L580 E583	G251-R255 PolarHBondContact O-NH1 2.81Å; A252-R255 PolarHBondContact O-N 3.36Å; A252-R255 VanDerWaalsContact O-N 3.16Å; R255-A291 PolarHBondContact O-N 3.33Å; R255-W577 HydrophobicContact CB-CE3 4.24Å; R255-S578 VanDerWaalsContact CA-OG 3.3Å; R255-S578 WeakPolarHBondContact CA-OG 3.47Å; R255-S578 VanDerWaalsContact CD-O 3.3Å; R255-S578 WeakPolarHBondContact CD-O 3.29Å; R255-S578 WeakPolarHBondContact CG-O 3.22Å; R255-L580 HydrophobicContact CG-CD2 3.8Å; R255-L580 HydrophobicContact CG-CG 4.18Å; R255-E583 IonicContact CZ-OE1 2.96Å; R255-E583 IonicContact CZ-OE2 3.56Å; R255-E583 IonicContact NE-OE1 3.01Å; R255-E583 IonicContact NE-OE2 3.16Å; R255-E583 PolarHBondContact NE-OE2 3.47Å; R255-E583 IonicContact NH2-OE1 3.9Å; R255-E583 PolarHBondContact NH2-OE1 2.79Å; R255-E583 IonicContact NH2-OE2 3.34Å; R255-E583 PolarHBondContact NH2-OE2 3.44Å
256	T	91.8	Very high	77.6	Confident	4 Å²	4	33.9 Å²	33.9	3%	0.025	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	140.6	158.4	-45.8	0	0	0	0	108.6	L288 R289 A291 P292 L293 W577 S578	T256-L288 HydrophobicContact CG2-CB 4.04Å; T256-L288 HydrophobicContact CG2-CD1 4.38Å; T256-L288 HydrophobicContact CG2-CD2 3.45Å; T256-L288 VanDerWaalsContact CG2-CD2 3.45Å; T256-L288 HydrophobicContact CG2-CG 4.14Å; T256-R289 CarbonylContact C-O 3.54Å; T256-R289 WeakPolarHBondContact CA-O 3.44Å; T256-A291 WeakPolarHBondContact CA-O 3.24Å; T256-A291 WeakPolarHBondContact CB-O 3.5Å; T256-A291 WeakPolarHBondContact CG2-O 3.36Å; T256-A291 PolarHBondContact OG1-O 3.27Å; T256-P292 PolarHBondContact OG1-O 3.16Å; T256-L293 HydrophobicContact CG2-CB 4.24Å; T256-L293 VanDerWaalsContact OG1-CA 3.24Å; T256-L293 WeakPolarHBondContact OG1-CA 3.45Å; T256-L293 PolarHBondContact OG1-N 2.9Å; T256-L293 VanDerWaalsContact OG1-N 3.16Å; T256-W577 WeakPolarHBondContact O-CA 3.35Å; T256-S578 PolarHBondContact N-OG 2.77Å; T256-S578 PolarHBondContact O-N 3.06Å
257	R	91.7	Very high	79.5	Confident	32 Å²	32	32.8 Å²	32.8	12%	0.121	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.5	172.6	64.6	-175	178.3	179.6	1.2	110	N144 F145 A146 D147 R289 V576 W577	N144-R257 PolarHBondContact O-NH1 2.88Å; F145-R257 VanDerWaalsContact C-NH1 3.34Å; F145-R257 HydrophobicContact CD2-CG 4.16Å; F145-R257 HydrophobicContact CE2-CG 4.3Å; F145-R257 PolarHBondContact O-NH1 2.99Å; F145-R257 PolarHBondContact O-NH2 2.97Å; A146-R257 PolarHBondContact O-NH1 2.95Å; A146-R257 VanDerWaalsContact O-NH1 3.16Å; D147-R257 IonicContact OD1-CZ 2.82Å; D147-R257 IonicContact OD1-NH2 3.29Å; D147-R257 PolarHBondContact OD1-NH2 2.85Å; D147-R257 IonicContact OD2-NH2 3.66Å; R257-R289 HydrophobicContact CG-CB 3.94Å; R257-R289 PolarHBondContact N-O 3.5Å; R257-R289 PolarHBondContact O-N 2.65Å; R257-V576 CarbonylContact C-O 3.44Å; R257-V576 WeakPolarHBondContact CA-O 3.31Å; R257-W577 HydrophobicContact CB-CD2 4.24Å; R257-W577 HydrophobicContact CB-CE3 3.68Å; R257-W577 HydrophobicContact CB-CH2 4.01Å; R257-W577 HydrophobicContact CB-CZ3 3.57Å; R257-W577 HydrophobicContact CG-CZ3 4.36Å
258	L	93.8	Very high	80.4	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131	177.4	174.3	152.2	0	0	0	109	V260 L288 V536 L538 L575 V576	L258-V260 HydrophobicContact CD2-CB 4.35Å; L258-V260 HydrophobicContact CD2-CG2 3.64Å; L258-L288 HydrophobicContact CB-CD2 4.07Å; L258-L288 HydrophobicContact CD1-CD2 3.75Å; L258-L288 HydrophobicContact CD1-CG 4.35Å; L258-V536 HydrophobicContact CD1-CG2 3.41Å; L258-V536 VanDerWaalsContact CD1-CG2 3.41Å; L258-L538 HydrophobicContact CD1-CD1 4.38Å; L258-L575 WeakPolarHBondContact O-CA 3.34Å; L258-V576 HydrophobicContact CB-CB 4.2Å; L258-V576 HydrophobicContact CD2-CB 4.22Å; L258-V576 HydrophobicContact CD2-CG2 3.71Å; L258-V576 PolarHBondContact N-O 3.05Å; L258-V576 PolarHBondContact O-N 2.84Å
259	L	94.3	Very high	80.5	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.5	166.4	178.5	67.4	0	0	0	107.2	Q112 V114 I129 L142 F145 D261 P573 L575	Q112-L259 HydrophobicContact CB-CD2 4.19Å; Q112-L259 HydrophobicContact CG-CD1 4.11Å; Q112-L259 HydrophobicContact CG-CD2 4.17Å; Q112-L259 HydrophobicContact CG-CG 4.11Å; V114-L259 HydrophobicContact CG2-CD2 4.15Å; I129-L259 HydrophobicContact CD1-CD2 3.8Å; L142-L259 HydrophobicContact CD2-CD1 4.2Å; F145-L259 HydrophobicContact CD1-CB 4.41Å; F145-L259 HydrophobicContact CD1-CD2 4.38Å; F145-L259 HydrophobicContact CD2-CB 4.2Å; F145-L259 HydrophobicContact CE1-CB 3.9Å; F145-L259 HydrophobicContact CE1-CD2 3.91Å; F145-L259 HydrophobicContact CE2-CB 3.68Å; F145-L259 HydrophobicContact CZ-CB 3.48Å; F145-L259 VanDerWaalsContact CZ-CB 3.48Å; F145-L259 HydrophobicContact CZ-CD2 4.29Å; L259-D261 PolarHBondContact O-N 2.78Å; L259-P573 HydrophobicContact CD1-CB 4.14Å; L259-L575 HydrophobicContact CB-CD2 4.09Å; L259-L575 HydrophobicContact CD1-CD2 3.62Å; L259-L575 HydrophobicContact CG-CD2 4.49Å
260	V	94.1	Very high	80.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.5	-174.8	179.7	0	0	0	0	109.9	L111 L258 S262 I263 L284 L574 V576	L111-V260 HydrophobicContact CD1-CG1 4.4Å; L258-V260 HydrophobicContact CD2-CB 4.35Å; L258-V260 HydrophobicContact CD2-CG2 3.64Å; V260-S262 VanDerWaalsContact CG1-O 3.31Å; V260-S262 WeakPolarHBondContact CG1-O 3.14Å; V260-I263 HydrophobicContact CG1-CB 4.48Å; V260-L284 HydrophobicContact CG1-CD2 4.14Å; V260-L284 HydrophobicContact CG2-CB 4.42Å; V260-L284 HydrophobicContact CG2-CD1 4.43Å; V260-L284 HydrophobicContact CG2-CD2 4.32Å; V260-L574 HydrophobicContact CB-CB 4.07Å; V260-L574 HydrophobicContact CB-CD2 4.24Å; V260-L574 HydrophobicContact CB-CG 4.25Å; V260-L574 HydrophobicContact CG1-CD2 4.39Å; V260-L574 HydrophobicContact CG2-CB 4.07Å; V260-L574 HydrophobicContact CG2-CD2 3.85Å; V260-L574 HydrophobicContact CG2-CG 3.74Å; V260-L574 PolarHBondContact N-O 3.21Å; V260-V576 HydrophobicContact CG2-CG2 3.63Å
261	D	91.1	Very high	80.4	Confident	22 Å²	22	48.9 Å²	48.9	12%	0.118	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-34.9	177	-69.6	-34.4	0	0	0	111.8	K106 C110 L111 L259 R285 G286	K106-D261 IonicContact NZ-OD1 3.56Å; K106-D261 PolarHBondContact NZ-OD1 3.42Å; K106-D261 IonicContact NZ-OD2 2.82Å; K106-D261 PolarHBondContact NZ-OD2 3.28Å; C110-D261 CarbonylContact C-O 3.54Å; C110-D261 WeakPolarHBondContact CA-O 3.35Å; C110-D261 VanDerWaalsContact SG-CB 3.52Å; C110-D261 PolarHBondContact SG-OD1 2.84Å; C110-D261 VanDerWaalsContact SG-OD1 3.35Å; L111-D261 WeakPolarHBondContact CG-O 3.32Å; L111-D261 PolarHBondContact N-O 2.84Å; L259-D261 PolarHBondContact O-N 2.78Å; D261-R285 PolarHBondContact N-O 3.34Å; D261-G286 WeakPolarHBondContact OD2-CA 3.44Å
262	S	90.5	Very high	79.9	Confident	28 Å²	28	56.9 Å²	56.9	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	145.1	176.2	70.9	0	0	0	0	110.5	V260 R285	V260-S262 VanDerWaalsContact CG1-O 3.31Å; V260-S262 WeakPolarHBondContact CG1-O 3.14Å; S262-R285 PolarHBondContact N-O 3.25Å; S262-R285 PolarHBondContact O-N 3.1Å; S262-R285 WeakPolarHBondContact OG-CB 2.89Å; S262-R285 WeakPolarHBondContact OG-CG 3.44Å; S262-R285 PolarHBondContact OG-NH1 3.34Å
263	I	93	Very high	78.9	Confident	9 Å²	9	61 Å²	61	5%	0.046	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.7	173.2	178.6	166	0	0	0	109.3	L111 V260 V282 C283 L284 I551 L552 T556 L574	L111-I263 HydrophobicContact CD1-CG2 3.78Å; V260-I263 HydrophobicContact CG1-CB 4.48Å; I263-V282 HydrophobicContact CD1-CG1 3.77Å; I263-V282 HydrophobicContact CG1-CG1 4.02Å; I263-C283 WeakPolarHBondContact CA-O 3.33Å; I263-L284 HydrophobicContact CB-CD2 4.05Å; I263-L284 HydrophobicContact CD1-CD2 3.73Å; I263-L284 HydrophobicContact CG1-CD2 3.78Å; I263-I551 HydrophobicContact CD1-CB 4.35Å; I263-I551 HydrophobicContact CD1-CG2 3.48Å; I263-I551 VanDerWaalsContact CD1-CG2 3.48Å; I263-L552 HydrophobicContact CB-CD1 4.3Å; I263-L552 HydrophobicContact CG1-CD1 4.09Å; I263-L552 HydrophobicContact CG2-CD1 3.54Å; I263-T556 HydrophobicContact CG2-CG2 3.74Å; I263-L574 HydrophobicContact CD1-CD2 4.36Å
264	D	92.4	Very high	78	Confident	68 Å²	68	57.8 Å²	57.8	36%	0.364	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.1	171.4	-59.2	-41.8	0	0	0	110.1	C283 R285	D264-C283 HydrophobicContact CB-CB 4.26Å; D264-C283 PolarHBondContact N-O 3.17Å; D264-C283 PolarHBondContact O-N 2.75Å; D264-R285 IonicContact OD2-CZ 3.83Å; D264-R285 VanDerWaalsContact OD2-CZ 3.22Å; D264-R285 IonicContact OD2-NH1 2.93Å; D264-R285 PolarHBondContact OD2-NH1 3.48Å; D264-R285 IonicContact OD2-NH2 3.34Å; D264-R285 PolarHBondContact OD2-NH2 2.93Å
265	L	92.2	Very high	76.5	Confident	51 Å²	51	64.3 Å²	64.3	27%	0.267	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.7	169.1	-61.7	178	0	0	0	109.6	V280 V282 E549 L552	L265-V280 HydrophobicContact CD2-CG2 4.39Å; L265-V282 HydrophobicContact CD2-CB 4.45Å; L265-V282 HydrophobicContact CD2-CG2 3.73Å; L265-E549 HydrophobicContact CD1-CB 4.44Å; L265-E549 HydrophobicContact CD1-CG 3.77Å; L265-L552 HydrophobicContact CD1-CB 4.07Å; L265-L552 HydrophobicContact CD1-CD2 3.71Å; L265-L552 HydrophobicContact CD1-CG 4.48Å; L265-L552 HydrophobicContact CG-CB 4.34Å; L265-L552 HydrophobicContact CG-CD2 3.99Å
266	I	88.6	Confident	75	Confident	74 Å²	74	67 Å²	67	38%	0.379	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.4	178.1	-55.6	174.7	0	0	0	107.7	A281 C283 L539	I266-A281 HydrophobicContact CB-CB 4.35Å; I266-A281 PolarHBondContact N-O 3.04Å; I266-A281 PolarHBondContact O-N 2.9Å; I266-C283 HydrophobicContact CD1-CB 4.03Å; I266-C283 HydrophobicContact CG1-CB 4.5Å; I266-L539 HydrophobicContact CD1-CD1 3.95Å
267	S	80.2	Confident	73.6	Confident	54 Å²	54	73.5 Å²	73.5	38%	0.378	41%	0.409	S	S	.	.			trans	-98.7	116.4	171	-166.4	0	0	0	0	108	R545	S267-R545 PolarHBondContact OG-NH2 2.84Å; S267-R545 VanDerWaalsContact OG-NH2 3.1Å
268	E	65.6	Low	72.9	Confident	118 Å²	118	75.9 Å²	75.9	55%	0.551	43%	0.43	S	S	*	.			trans	-83.2	113.3	170.2	-72.6	-172.2	176.8	0	0	108.7	N270 R541	E268-N270 PolarHBondContact O-N 3.2Å; E268-N270 PolarHBondContact OE2-ND2 2.66Å; E268-R541 IonicContact OE2-NH1 3.71Å
269	N	54.7	Low	72.5	Confident	149 Å²	149	79.4 Å²	79.4	80%	0.797	45%	0.447	S	S	*	.			trans	-76.6	68.9	169.5	-69.5	-3.5	0	0	0	109.4	A271	N269-A271 PolarHBondContact O-N 2.75Å
270	N	53.4	Low	72.2	Confident	105 Å²	105	79.4 Å²	79.4	56%	0.561	45%	0.447	S	S	*	.			trans	-80.2	105.9	169.6	-70.8	-30.7	0	0	0	107.9	E268 H272	E268-N270 PolarHBondContact O-N 3.2Å; E268-N270 PolarHBondContact OE2-ND2 2.66Å; N270-H272 PolarHBondContact O-N 2.84Å
271	A	50.5	Low	72	Confident	101 Å²	101	79.8 Å²	79.8	84%	0.835	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	11.4	-173.1	0	0	0	0	0	116.2	N269	N269-A271 PolarHBondContact O-N 2.75Å
272	H	46.9	Very low	72.2	Confident	172 Å²	172	78.8 Å²	78.8	80%	0.796	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	-1.9	-166.8	-85.3	-53.6	0	0	0	118.2	N270	N270-H272 PolarHBondContact O-N 2.84Å
273	D	47.3	Very low	72.4	Confident	109 Å²	109	77.6 Å²	77.6	58%	0.583	44%	0.436	S	S	*	.			trans	-143.4	111.3	174.1	-80.2	-47.7	0	0	0	112.1	I275 T276	D273-I275 PolarHBondContact O-N 2.87Å; D273-T276 PolarHBondContact O-N 2.86Å; D273-T276 VanDerWaalsContact O-N 3.08Å; D273-T276 PolarHBondContact O-OG1 3.01Å
274	A	53.8	Low	72.5	Confident	86 Å²	86	77.1 Å²	77.1	71%	0.711	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.2	176.1	0	0	0	0	0	113.7
275	I	52.9	Low	72.6	Confident	149 Å²	149	77.8 Å²	77.8	76%	0.764	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-24	179	-57.4	169.7	0	0	0	111.5	D273	D273-I275 PolarHBondContact O-N 2.87Å
276	T	56.6	Low	72.6	Confident	68 Å²	68	75.5 Å²	75.5	42%	0.417	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-85	-4.6	-178.9	35.9	0	0	0	0	115.2	D273 S278 E279	D273-T276 PolarHBondContact O-N 2.86Å; D273-T276 VanDerWaalsContact O-N 3.08Å; D273-T276 PolarHBondContact O-OG1 3.01Å; T276-S278 VanDerWaalsContact C-N 3.29Å; T276-S278 PolarHBondContact O-N 2.89Å; T276-E279 PolarHBondContact O-N 3.27Å
277	E	62.2	Low	72.8	Confident	140 Å²	140	74.4 Å²	74.4	65%	0.654	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-69	-25.9	-177.4	-68	-172.6	168.4	0	0	113.8	R545	E277-R545 PolarHBondContact O-NE 3.1Å; E277-R545 PolarHBondContact O-NH2 2.78Å
278	S	77.1	Confident	73.4	Confident	82 Å²	82	72 Å²	72	57%	0.573	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-82.9	-9.4	-177.4	-49.5	0	0	0	0	114.4	T276 R545	T276-S278 VanDerWaalsContact C-N 3.29Å; T276-S278 PolarHBondContact O-N 2.89Å; S278-R545 PolarHBondContact O-N 3.43Å
279	E	84.1	Confident	74.5	Confident	75 Å²	75	66.8 Å²	66.8	35%	0.35	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.1	-177.6	-64	-174.8	165.4	0	0	111.6	T276 P542 V543	T276-E279 PolarHBondContact O-N 3.27Å; E279-P542 HydrophobicContact CG-CB 4.18Å; E279-P542 WeakPolarHBondContact OE1-CB 3.29Å; E279-P542 VanDerWaalsContact OE2-CB 3.3Å; E279-P542 WeakPolarHBondContact OE2-CB 3.45Å; E279-V543 CarbonylContact C-O 3.59Å; E279-V543 WeakPolarHBondContact CA-O 3.41Å
280	V	88.5	Confident	76	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.036	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.9	175.1	-66.4	0	0	0	0	110.1	L265 V543 R545	L265-V280 HydrophobicContact CD2-CG2 4.39Å; V280-V543 HydrophobicContact CG2-CB 4.44Å; V280-V543 PolarHBondContact N-O 2.78Å; V280-V543 PolarHBondContact O-N 2.83Å; V280-R545 HydrophobicContact CG1-CB 4.09Å; V280-R545 HydrophobicContact CG1-CG 4.11Å
281	A	91	Very high	77.5	Confident	10 Å²	10	56.8 Å²	56.8	8%	0.083	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.5	169.2	0	0	0	0	0	109.9	I266 L539 L540 R541	I266-A281 HydrophobicContact CB-CB 4.35Å; I266-A281 PolarHBondContact N-O 3.04Å; I266-A281 PolarHBondContact O-N 2.9Å; A281-L539 HydrophobicContact CB-CD1 3.75Å; A281-L539 HydrophobicContact CB-CG 4.19Å; A281-L540 WeakPolarHBondContact CA-O 2.87Å; A281-R541 HydrophobicContact CB-CB 4.18Å
282	V	94.1	Very high	79.3	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.4	176.4	-179.6	0	0	0	0	108.6	I263 L265 L284 L540 V543	I263-V282 HydrophobicContact CD1-CG1 3.77Å; I263-V282 HydrophobicContact CG1-CG1 4.02Å; L265-V282 HydrophobicContact CD2-CB 4.45Å; L265-V282 HydrophobicContact CD2-CG2 3.73Å; V282-L284 HydrophobicContact CG1-CD2 3.73Å; V282-L284 HydrophobicContact CG1-CG 4.1Å; V282-L540 HydrophobicContact CB-CB 4.39Å; V282-L540 PolarHBondContact N-O 2.58Å; V282-L540 PolarHBondContact O-N 3.02Å; V282-V543 HydrophobicContact CB-CG2 4.37Å; V282-V543 HydrophobicContact CG2-CB 3.93Å; V282-V543 HydrophobicContact CG2-CG1 3.86Å; V282-V543 HydrophobicContact CG2-CG2 3.75Å
283	C	95.7	Very high	81.4	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.1	177.3	-173.1	0	0	0	0	109.9	I263 D264 I266 E537 L538 L539	I263-C283 WeakPolarHBondContact CA-O 3.33Å; D264-C283 HydrophobicContact CB-CB 4.26Å; D264-C283 PolarHBondContact N-O 3.17Å; D264-C283 PolarHBondContact O-N 2.75Å; I266-C283 HydrophobicContact CD1-CB 4.03Å; I266-C283 HydrophobicContact CG1-CB 4.5Å; C283-E537 WeakPolarHBondContact SG-CG 2.77Å; C283-E537 PolarHBondContact SG-OE1 2.92Å; C283-L538 CarbonylContact C-O 3.44Å; C283-L538 WeakPolarHBondContact CA-O 3.34Å; C283-L539 HydrophobicContact CB-CD1 4.08Å
284	L	95.7	Very high	83.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.5	-179.5	-56.6	178.8	0	0	0	109.8	V260 I263 V282 L313 E537 L538 L540 L574 V576	V260-L284 HydrophobicContact CG1-CD2 4.14Å; V260-L284 HydrophobicContact CG2-CB 4.42Å; V260-L284 HydrophobicContact CG2-CD1 4.43Å; V260-L284 HydrophobicContact CG2-CD2 4.32Å; I263-L284 HydrophobicContact CB-CD2 4.05Å; I263-L284 HydrophobicContact CD1-CD2 3.73Å; I263-L284 HydrophobicContact CG1-CD2 3.78Å; V282-L284 HydrophobicContact CG1-CD2 3.73Å; V282-L284 HydrophobicContact CG1-CG 4.1Å; L284-L313 HydrophobicContact CD1-CD1 4.35Å; L284-L313 HydrophobicContact CD1-CD2 3.64Å; L284-E537 CarbonylContact O-C 3.5Å; L284-E537 WeakPolarHBondContact O-CA 3.49Å; L284-L538 PolarHBondContact N-O 3.2Å; L284-L538 PolarHBondContact O-N 3.04Å; L284-L540 HydrophobicContact CD1-CD1 3.59Å; L284-L540 HydrophobicContact CD1-CG 4.38Å; L284-L540 HydrophobicContact CG-CD1 4.35Å; L284-L574 HydrophobicContact CD2-CD2 4.09Å; L284-V576 HydrophobicContact CD1-CG2 3.7Å
285	R	94.1	Very high	84.8	Confident	82 Å²	82	37.4 Å²	37.4	31%	0.309	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.5	173.4	-50.2	-171.2	-174.4	88.4	6.8	111.2	D261 S262 D264 V536 E537	D261-R285 PolarHBondContact N-O 3.34Å; S262-R285 PolarHBondContact N-O 3.25Å; S262-R285 PolarHBondContact O-N 3.1Å; S262-R285 WeakPolarHBondContact OG-CB 2.89Å; S262-R285 WeakPolarHBondContact OG-CG 3.44Å; S262-R285 PolarHBondContact OG-NH1 3.34Å; D264-R285 IonicContact OD2-CZ 3.83Å; D264-R285 VanDerWaalsContact OD2-CZ 3.22Å; D264-R285 IonicContact OD2-NH1 2.93Å; D264-R285 PolarHBondContact OD2-NH1 3.48Å; D264-R285 IonicContact OD2-NH2 3.34Å; D264-R285 PolarHBondContact OD2-NH2 2.93Å; R285-V536 VanDerWaalsContact CA-O 3.27Å; R285-V536 WeakPolarHBondContact CA-O 3.03Å; R285-E537 HydrophobicContact CG-CB 4.19Å; R285-E537 HydrophobicContact CG-CG 4.09Å; R285-E537 IonicContact CZ-OE1 3.5Å; R285-E537 VanDerWaalsContact CZ-OE1 3.29Å; R285-E537 IonicContact NE-OE1 2.79Å; R285-E537 PolarHBondContact NE-OE1 2.96Å; R285-E537 IonicContact NH2-OE1 3.44Å; R285-E537 PolarHBondContact NH2-OE1 2.68Å
286	G	92.6	Very high	85.7	Confident	3 Å²	3	31.6 Å²	31.6	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-179.8	174.2	0	0	0	0	0	112.6	D261 V536	D261-G286 WeakPolarHBondContact OD2-CA 3.44Å; G286-V536 PolarHBondContact N-O 2.76Å; G286-V536 WeakPolarHBondContact O-CG2 3.33Å; G286-V536 PolarHBondContact O-N 2.84Å
287	R	91.8	Very high	86.3	Confident	50 Å²	50	32 Å²	32	19%	0.189	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.4	177.6	-170.4	164.7	-67	-177.1	-4.4	111.5	D535	R287-D535 VanDerWaalsContact CB-OD1 3.28Å; R287-D535 WeakPolarHBondContact CB-OD1 3.41Å; R287-D535 IonicContact CZ-OD1 3.62Å; R287-D535 IonicContact CZ-OD2 3.82Å; R287-D535 IonicContact NE-OD1 3.49Å; R287-D535 PolarHBondContact NE-OD1 2.66Å; R287-D535 IonicContact NE-OD2 3.82Å; R287-D535 IonicContact NH2-OD1 2.67Å; R287-D535 PolarHBondContact NH2-OD1 2.85Å; R287-D535 IonicContact NH2-OD2 3.69Å; R287-D535 PolarHBondContact NH2-OD2 3.19Å
288	L	92.9	Very high	86.2	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.8	172.2	-68.3	176.6	0	0	0	111.2	T256 L258 L293 I530 G533 V534 V536	T256-L288 HydrophobicContact CG2-CB 4.04Å; T256-L288 HydrophobicContact CG2-CD1 4.38Å; T256-L288 HydrophobicContact CG2-CD2 3.45Å; T256-L288 VanDerWaalsContact CG2-CD2 3.45Å; T256-L288 HydrophobicContact CG2-CG 4.14Å; L258-L288 HydrophobicContact CB-CD2 4.07Å; L258-L288 HydrophobicContact CD1-CD2 3.75Å; L258-L288 HydrophobicContact CD1-CG 4.35Å; L288-L293 HydrophobicContact CD1-CB 4.24Å; L288-I530 HydrophobicContact CD1-CB 3.95Å; L288-I530 HydrophobicContact CD1-CG2 3.6Å; L288-G533 WeakPolarHBondContact O-CA 3.47Å; L288-G533 PolarHBondContact O-N 3.06Å; L288-V534 PolarHBondContact N-O 2.88Å; L288-V536 HydrophobicContact CD1-CB 4.4Å; L288-V536 HydrophobicContact CD1-CG1 3.44Å; L288-V536 VanDerWaalsContact CD1-CG1 3.44Å; L288-V536 HydrophobicContact CD1-CG2 4.13Å; L288-V536 HydrophobicContact CD2-CG2 3.88Å; L288-V536 HydrophobicContact CG-CB 4.33Å; L288-V536 HydrophobicContact CG-CG1 3.66Å; L288-V536 HydrophobicContact CG-CG2 3.64Å
289	R	88.7	Confident	85.2	Confident	8 Å²	8	30.4 Å²	30.4	3%	0.03	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.6	176.5	-69.7	-176.7	171.3	177.4	-7.6	111.3	D127 T256 R257	D127-R289 VanDerWaalsContact CB-NH2 3.27Å; D127-R289 IonicContact OD2-CZ 2.74Å; D127-R289 IonicContact OD2-NH2 3.68Å; D127-R289 PolarHBondContact OD2-NH2 3.44Å; T256-R289 CarbonylContact C-O 3.54Å; T256-R289 WeakPolarHBondContact CA-O 3.44Å; R257-R289 HydrophobicContact CG-CB 3.94Å; R257-R289 PolarHBondContact N-O 3.5Å; R257-R289 PolarHBondContact O-N 2.65Å
290	G	85.4	Confident	83.4	Confident	40 Å²	40	29.7 Å²	29.7	41%	0.412	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.1	-133.3	179.5	0	0	0	0	0	112.1	P532	G290-P532 WeakPolarHBondContact O-CB 3.25Å
291	A	86.4	Confident	81.1	Confident	5 Å²	5	34.6 Å²	34.6	4%	0.041	17%	0.173	C	C	.	.	S	Bend	trans	-72.5	156.7	177.4	0	0	0	0	0	111.8	R255 T256 L513	R255-A291 PolarHBondContact O-N 3.33Å; T256-A291 WeakPolarHBondContact CA-O 3.24Å; T256-A291 WeakPolarHBondContact CB-O 3.5Å; T256-A291 WeakPolarHBondContact CG2-O 3.36Å; T256-A291 PolarHBondContact OG1-O 3.27Å; A291-L513 HydrophobicContact CB-CD2 4.16Å
292	P	87.7	Confident	78.7	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.032	21%	0.21	C	C	.	.			trans	-59.6	144.5	169.1	26.3	-35.5	0	0	0	111.3	T256 F294 L513 F516 I530	T256-P292 PolarHBondContact OG1-O 3.16Å; P292-F294 HydrophobicContact CG-CE1 4.41Å; P292-F294 HydrophobicContact CG-CE2 4.22Å; P292-F294 HydrophobicContact CG-CZ 3.89Å; P292-F294 PolarHBondContact O-N 2.92Å; P292-L513 HydrophobicContact CG-CD2 3.95Å; P292-F516 HydrophobicContact CB-CD2 4.12Å; P292-F516 HydrophobicContact CB-CE2 3.93Å; P292-F516 HydrophobicContact CB-CZ 4.21Å; P292-F516 HydrophobicContact CG-CD1 4.18Å; P292-F516 HydrophobicContact CG-CD2 4.09Å; P292-F516 HydrophobicContact CG-CE1 4.4Å; P292-F516 HydrophobicContact CG-CE2 4.3Å; P292-F516 HydrophobicContact CG-CG 4.04Å; P292-F516 HydrophobicContact CG-CZ 4.47Å; P292-I530 CarbonylContact C-O 3.55Å; P292-I530 VanDerWaalsContact CA-O 3.26Å; P292-I530 WeakPolarHBondContact CA-O 3.23Å; P292-I530 VanDerWaalsContact CB-O 3.32Å; P292-I530 WeakPolarHBondContact CB-O 3.46Å
293	L	91.4	Very high	76.2	Confident	6 Å²	6	46 Å²	46	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	108.5	176.4	-178.1	63.5	0	0	0	108.7	T256 L288 L295 L321 Y529 I530 L538	T256-L293 HydrophobicContact CG2-CB 4.24Å; T256-L293 VanDerWaalsContact OG1-CA 3.24Å; T256-L293 WeakPolarHBondContact OG1-CA 3.45Å; T256-L293 PolarHBondContact OG1-N 2.9Å; T256-L293 VanDerWaalsContact OG1-N 3.16Å; L288-L293 HydrophobicContact CD1-CB 4.24Å; L293-L295 HydrophobicContact CD2-CD2 4.38Å; L293-L295 HydrophobicContact CG-CD2 4.47Å; L293-L295 PolarHBondContact O-N 3.17Å; L293-L321 HydrophobicContact CD2-CD2 4.06Å; L293-Y529 CarbonylContact O-C 3.56Å; L293-Y529 WeakPolarHBondContact O-CA 3.21Å; L293-Y529 WeakPolarHBondContact O-CB 3.15Å; L293-I530 HydrophobicContact CB-CB 4.18Å; L293-I530 HydrophobicContact CD2-CD1 4.06Å; L293-I530 PolarHBondContact N-O 2.92Å; L293-I530 PolarHBondContact O-N 3.48Å; L293-L538 HydrophobicContact CD2-CD2 4.28Å
294	F	87.6	Confident	74	Confident	50 Å²	50	48.6 Å²	48.6	22%	0.219	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.1	175.8	-64.2	-75.7	0	0	0	110.3	P292 K512 L513	P292-F294 HydrophobicContact CG-CE1 4.41Å; P292-F294 HydrophobicContact CG-CE2 4.22Å; P292-F294 HydrophobicContact CG-CZ 3.89Å; P292-F294 PolarHBondContact O-N 2.92Å; F294-K512 HydrophobicContact CD1-CD 4.13Å; F294-K512 HydrophobicContact CE1-CB 3.9Å; F294-K512 HydrophobicContact CE1-CD 4.01Å; F294-K512 HydrophobicContact CE1-CG 4.38Å; F294-K512 HydrophobicContact CE2-CB 4.48Å; F294-K512 HydrophobicContact CG-CD 4.45Å; F294-K512 HydrophobicContact CZ-CB 3.71Å; F294-K512 HydrophobicContact CZ-CD 4.23Å; F294-L513 HydrophobicContact CE2-CD2 4.42Å; F294-L513 HydrophobicContact CZ-CD2 4.22Å
295	L	83.9	Confident	72	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.301	C	S	.	.			trans	-91.9	-8.3	-178.5	-62.8	170	0	0	0	112.3	L293 P309 L321 W336 F527 K528 I530	L293-L295 HydrophobicContact CD2-CD2 4.38Å; L293-L295 HydrophobicContact CG-CD2 4.47Å; L293-L295 PolarHBondContact O-N 3.17Å; L295-P309 HydrophobicContact CD2-CG 4.35Å; L295-P309 WeakPolarHBondContact O-CD 3.46Å; L295-L321 HydrophobicContact CD2-CD2 4Å; L295-W336 HydrophobicContact CB-CD2 4.4Å; L295-W336 HydrophobicContact CB-CZ2 4.3Å; L295-W336 HydrophobicContact CD1-CB 4.01Å; L295-W336 HydrophobicContact CD1-CD2 3.98Å; L295-W336 HydrophobicContact CD1-CG 3.61Å; L295-W336 HydrophobicContact CD2-CD2 4Å; L295-W336 HydrophobicContact CD2-CE3 4.02Å; L295-W336 HydrophobicContact CD2-CG 4.48Å; L295-W336 HydrophobicContact CD2-CZ3 4.38Å; L295-W336 HydrophobicContact CG-CD2 4.35Å; L295-W336 HydrophobicContact CG-CG 4.47Å; L295-F527 HydrophobicContact CD1-CB 4.29Å; L295-K528 PolarHBondContact N-O 3.04Å; L295-I530 HydrophobicContact CD1-CD1 4.42Å; L295-I530 HydrophobicContact CD1-CG1 3.82Å; L295-I530 HydrophobicContact CD2-CD1 4.21Å; L295-I530 HydrophobicContact CD2-CG1 4.22Å; L295-I530 HydrophobicContact CG-CG1 4.18Å
296	F	72.6	Confident	70.3	Confident	26 Å²	26	52.5 Å²	52.5	11%	0.114	30%	0.301	C	S	.	.			trans	-141.3	139	-174.6	-62.8	-98.9	0	0	0	111.2	W336 L341 V344 K512 I526 F527	F296-W336 AromaticContact CE2-CD1 3.99Å; F296-W336 AromaticContact CE2-NE1 3.26Å; F296-W336 VanDerWaalsContact CE2-NE1 3.26Å; F296-W336 AromaticContact CZ-NE1 3.3Å; F296-W336 VanDerWaalsContact CZ-NE1 3.3Å; F296-L341 HydrophobicContact CD1-CD2 3.16Å; F296-L341 HydrophobicContact CD1-CG 4.26Å; F296-L341 HydrophobicContact CE1-CB 4.37Å; F296-L341 HydrophobicContact CE1-CD2 3.14Å; F296-L341 HydrophobicContact CE1-CG 3.77Å; F296-L341 HydrophobicContact CG-CD2 4.18Å; F296-L341 HydrophobicContact CZ-CD2 4.13Å; F296-L341 HydrophobicContact CZ-CG 4.45Å; F296-V344 HydrophobicContact CD1-CG2 4.03Å; F296-V344 HydrophobicContact CE1-CB 4.16Å; F296-V344 HydrophobicContact CE1-CG2 3.37Å; F296-V344 HydrophobicContact CZ-CG2 3.9Å; F296-K512 PolarHBondContact O-NZ 2.99Å; F296-I526 HydrophobicContact CZ-CG2 4.38Å; F296-F527 WeakPolarHBondContact CE2-O 3.47Å
297	E	68.1	Low	69	Low	78 Å²	78	57.2 Å²	57.2	36%	0.364	33%	0.33	S	S	.	.			trans	-121.9	113.9	173.4	-152.9	176.6	157.9	0	0	110.4	L299 P581	E297-L299 HydrophobicContact CG-CB 4.26Å; E297-L299 HydrophobicContact CG-CD1 4.28Å; E297-L299 HydrophobicContact CG-CG 4.44Å; E297-L299 PolarHBondContact O-N 3.33Å; E297-L299 WeakPolarHBondContact OE1-CD1 3.41Å; E297-P581 WeakPolarHBondContact OE1-CA 3.43Å; E297-P581 WeakPolarHBondContact OE1-CB 3.45Å; E297-P581 WeakPolarHBondContact OE1-CG 3.24Å
298	E	60.4	Low	68.1	Low	149 Å²	149	55.5 Å²	55.5	70%	0.696	33%	0.327	S	S	*	.			trans	-83.3	9.3	-179.6	-63.8	178.1	178.4	0	0	112.9
299	L	56.3	Low	67.8	Low	38 Å²	38	56.3 Å²	56.3	20%	0.199	33%	0.332	C	S	.	.			trans	-82	133.2	-173	-75	168.5	0	0	0	111.9	E297 Y508 P581 L896	E297-L299 HydrophobicContact CG-CB 4.26Å; E297-L299 HydrophobicContact CG-CD1 4.28Å; E297-L299 HydrophobicContact CG-CG 4.44Å; E297-L299 PolarHBondContact O-N 3.33Å; E297-L299 WeakPolarHBondContact OE1-CD1 3.41Å; L299-Y508 HydrophobicContact CD1-CD1 3.83Å; L299-Y508 HydrophobicContact CD1-CE1 3.38Å; L299-Y508 HydrophobicContact CD1-CE2 4.22Å; L299-Y508 HydrophobicContact CD1-CG 4.4Å; L299-Y508 HydrophobicContact CD2-CD2 4.28Å; L299-Y508 HydrophobicContact CD2-CE2 3.89Å; L299-Y508 HydrophobicContact CG-CE1 3.98Å; L299-Y508 HydrophobicContact CG-CE2 4.02Å; L299-P581 HydrophobicContact CD1-CB 3.85Å; L299-P581 HydrophobicContact CD1-CG 3.81Å; L299-L896 HydrophobicContact CB-CD2 4.45Å; L299-L896 HydrophobicContact CD1-CD2 3.58Å; L299-L896 HydrophobicContact CD2-CD2 3.64Å; L299-L896 HydrophobicContact CG-CD2 4.07Å
300	D	46.3	Very low	67.9	Low	61 Å²	61	59 Å²	59	33%	0.326	34%	0.342	S	S	.	.			trans	-46	130.9	-169	-71.7	-28.1	0	0	0	115.7
301	Q	40.5	Very low	68.3	Low	108 Å²	108	57.1 Å²	57.1	51%	0.505	32%	0.323	S	S	.	.			trans	-129.4	136.7	131.8	-68.1	-179.5	15.9	0	0	106.4	G303 S304	Q301-G303 VanDerWaalsContact C-N 3.34Å; Q301-G303 PolarHBondContact O-N 3.2Å; Q301-S304 WeakPolarHBondContact CB-OG 3.49Å; Q301-S304 PolarHBondContact OE1-OG 2.99Å
302	N	40.3	Very low	68.7	Low	164 Å²	164	56.9 Å²	56.9	88%	0.877	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	96	173.2	-68.4	-29.1	0	0	0	109.4	S304	N302-S304 PolarHBondContact O-N 2.83Å
303	G	42.6	Very low	69.1	Low	88 Å²	88	56.7 Å²	56.7	91%	0.907	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	14.3	173.3	0	0	0	0	0	117.6	Q301	Q301-G303 VanDerWaalsContact C-N 3.34Å; Q301-G303 PolarHBondContact O-N 3.2Å
304	S	49.7	Very low	69.1	Low	55 Å²	55	56.7 Å²	56.7	39%	0.385	32%	0.32	S	S	.	.			trans	-89	159.4	-178.5	97.5	0	0	0	0	115.1	Q301 N302 L306	Q301-S304 WeakPolarHBondContact CB-OG 3.49Å; Q301-S304 PolarHBondContact OE1-OG 2.99Å; N302-S304 PolarHBondContact O-N 2.83Å; S304-L306 PolarHBondContact O-N 2.83Å
305	V	53.6	Low	69.3	Low	105 Å²	105	54.4 Å²	54.4	64%	0.636	31%	0.311	S	S	*	.			trans	-59.2	128.3	178	-178.8	0	0	0	0	109.8	V307	V305-V307 PolarHBondContact O-N 2.99Å
306	L	57.2	Low	69.8	Low	59 Å²	59	54.7 Å²	54.7	31%	0.309	31%	0.312	S	S	.	.			trans	-50.9	114.7	167.8	-75	176.8	0	0	0	109.6	S304 L341 K345	S304-L306 PolarHBondContact O-N 2.83Å; L306-L341 HydrophobicContact CB-CB 4.48Å; L306-L341 HydrophobicContact CB-CD2 4.36Å; L306-L341 HydrophobicContact CD1-CB 4.16Å; L306-L341 HydrophobicContact CD1-CD2 4.2Å; L306-L341 WeakPolarHBondContact CD1-O 3.44Å; L306-K345 HydrophobicContact CD1-CD 4.14Å; L306-K345 HydrophobicContact CD1-CG 3.45Å; L306-K345 VanDerWaalsContact CD1-CG 3.45Å; L306-K345 HydrophobicContact CG-CD 4.48Å; L306-K345 HydrophobicContact CG-CG 4.13Å
307	V	66.1	Low	70.8	Confident	103 Å²	103	53.5 Å²	53.5	62%	0.624	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-86.4	128.8	174.2	-174.4	0	0	0	0	107.7	V305	V305-V307 PolarHBondContact O-N 2.99Å
308	G	71.4	Confident	72.1	Confident	13 Å²	13	49.9 Å²	49.9	13%	0.134	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-63.7	162.1	175.4	0	0	0	0	0	112.8
309	P	86.7	Confident	73.6	Confident	21 Å²	21	43 Å²	43	14%	0.136	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60.6	144.3	177.2	26.2	-32	0	0	0	110.4	L295 L321 W336	L295-P309 HydrophobicContact CD2-CG 4.35Å; L295-P309 WeakPolarHBondContact O-CD 3.46Å; P309-L321 HydrophobicContact CG-CB 4.19Å; P309-L321 HydrophobicContact CG-CD2 4.1Å; P309-L321 WeakPolarHBondContact O-CB 3.4Å; P309-L321 PolarHBondContact O-N 2.95Å; P309-W336 HydrophobicContact CG-CH2 3.6Å; P309-W336 HydrophobicContact CG-CZ2 4.12Å; P309-W336 HydrophobicContact CG-CZ3 4.2Å
310	R	90.8	Very high	75.3	Confident	64 Å²	64	42.3 Å²	42.3	24%	0.242	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.3	172.8	-60.8	-173.9	76	97.6	-2.7	109.7	D318 F319 L579 T584	R310-D318 PolarHBondContact NH2-O 3.38Å; R310-F319 CarbonylContact C-O 3.52Å; R310-F319 VanDerWaalsContact CA-O 3.23Å; R310-F319 WeakPolarHBondContact CA-O 3.22Å; R310-F319 WeakPolarHBondContact CB-O 3.16Å; R310-L579 HydrophobicContact CB-CD1 4.03Å; R310-T584 HydrophobicContact CB-CG2 4.2Å; R310-T584 HydrophobicContact CG-CG2 4.31Å
311	V	94	Very high	77.5	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.8	174.5	-61.6	0	0	0	0	109.9	D318 F319 L540 V576 W577	V311-D318 WeakPolarHBondContact O-CA 3.41Å; V311-F319 PolarHBondContact N-O 3.18Å; V311-F319 PolarHBondContact O-N 2.93Å; V311-L540 HydrophobicContact CG2-CD1 3.91Å; V311-L540 HydrophobicContact CG2-CD2 3.4Å; V311-L540 VanDerWaalsContact CG2-CD2 3.4Å; V311-L540 HydrophobicContact CG2-CG 4.31Å; V311-V576 HydrophobicContact CB-CG1 3.69Å; V311-V576 HydrophobicContact CG1-CG1 4.17Å; V311-V576 HydrophobicContact CG2-CG1 3.93Å; V311-W577 CarbonylContact C-O 3.39Å; V311-W577 WeakPolarHBondContact CA-O 3.47Å
312	H	95.1	Very high	79.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.3	175.6	-178.6	64.4	0	0	0	110.2	G317 D318 V576 W577 L579 I690 R691	H312-G317 WeakPolarHBondContact CA-O 3.34Å; H312-G317 PolarHBondContact ND1-O 2.91Å; H312-G317 VanDerWaalsContact ND1-O 3.16Å; H312-D318 IonicContact CE1-OD1 3.38Å; H312-D318 IonicContact CG-OD1 3.04Å; H312-D318 IonicContact ND1-OD1 2.73Å; H312-D318 PolarHBondContact ND1-OD1 2.86Å; H312-V576 CarbonylContact O-C 3.59Å; H312-V576 WeakPolarHBondContact O-CA 3.18Å; H312-W577 HydrophobicContact CB-CB 4.34Å; H312-W577 PolarHBondContact N-O 2.94Å; H312-W577 PolarHBondContact O-N 3.04Å; H312-L579 HydrophobicContact CB-CD2 3.77Å; H312-L579 HydrophobicContact CB-CG 4.26Å; H312-I690 PolarHBondContact CD2-O 3.28Å; H312-I690 PolarHBondContact NE2-O 3.14Å; H312-R691 PolarHBondContact ND1-NH1 2.91Å
313	L	95.7	Very high	82.4	Confident	1 Å²	1	29 Å²	29	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.8	167.6	-60.1	-173.7	0	0	0	108.1	L284 G315 W316 G317 F319 L540 I551 L574 V576	L284-L313 HydrophobicContact CD1-CD1 4.35Å; L284-L313 HydrophobicContact CD1-CD2 3.64Å; L313-G315 PolarHBondContact O-N 3.23Å; L313-G315 VanDerWaalsContact O-N 3.16Å; L313-W316 HydrophobicContact CB-CB 3.89Å; L313-W316 HydrophobicContact CB-CG 4.5Å; L313-W316 PolarHBondContact O-N 2.87Å; L313-G317 PolarHBondContact N-O 3.44Å; L313-G317 PolarHBondContact O-N 3.06Å; L313-F319 HydrophobicContact CB-CD2 4.27Å; L313-F319 HydrophobicContact CB-CE2 4.06Å; L313-F319 HydrophobicContact CD1-CD2 3.71Å; L313-F319 HydrophobicContact CD1-CE2 3.69Å; L313-F319 HydrophobicContact CG-CD2 3.77Å; L313-F319 HydrophobicContact CG-CE2 3.96Å; L313-L540 HydrophobicContact CD1-CD1 4Å; L313-L540 HydrophobicContact CD2-CD1 4.32Å; L313-L540 HydrophobicContact CG-CD1 4.33Å; L313-I551 HydrophobicContact CD1-CD1 4.34Å; L313-L574 HydrophobicContact CB-CD1 4.41Å; L313-L574 HydrophobicContact CD2-CD1 4.5Å; L313-V576 HydrophobicContact CD2-CB 4.13Å; L313-V576 HydrophobicContact CD2-CG1 4.05Å; L313-V576 HydrophobicContact CD2-CG2 3.57Å
314	T	92.5	Very high	84.8	Confident	5 Å²	5	24.8 Å²	24.8	3%	0.031	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	119.4	-175.3	-62.4	0	0	0	0	110.6	D141 L575 W577 I690 R692	D141-T314 VanDerWaalsContact OD1-CG2 3.29Å; D141-T314 WeakPolarHBondContact OD1-CG2 3.36Å; T314-L575 PolarHBondContact N-O 2.77Å; T314-W577 PolarHBondContact OG1-NE1 3.45Å; T314-I690 PolarHBondContact OG1-O 3.39Å; T314-I690 VanDerWaalsContact OG1-O 3.11Å; T314-R692 HydrophobicContact CG2-CB 4.37Å
315	G	92.4	Very high	86.9	Confident	3 Å²	3	24.9 Å²	24.9	3%	0.031	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	6	-177.8	0	0	0	0	0	115.8	L313 P863 V864 V865	L313-G315 PolarHBondContact O-N 3.23Å; L313-G315 VanDerWaalsContact O-N 3.16Å; G315-P863 CarbonylContact C-O 3.57Å; G315-V864 WeakPolarHBondContact O-CA 3.45Å; G315-V865 PolarHBondContact O-N 3.06Å; G315-V865 VanDerWaalsContact O-N 3.1Å
316	W	94.2	Very high	88.8	Confident	5 Å²	5	20.2 Å²	20.2	2%	0.019	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-32.4	178.6	-62.2	99.2	0	0	0	113.9	L313 F319 L547 S550 I551 H554 H555 P863 V864 S866	L313-W316 HydrophobicContact CB-CB 3.89Å; L313-W316 HydrophobicContact CB-CG 4.5Å; L313-W316 PolarHBondContact O-N 2.87Å; W316-F319 HydrophobicContact CB-CE2 4.13Å; W316-F319 HydrophobicContact CB-CZ 4.43Å; W316-L547 HydrophobicContact CE3-CD1 3.63Å; W316-L547 HydrophobicContact CZ3-CD1 3.85Å; W316-S550 WeakPolarHBondContact CH2-O 3.32Å; W316-S550 VanDerWaalsContact CH2-OG 3.29Å; W316-S550 WeakPolarHBondContact CH2-OG 3.47Å; W316-S550 WeakPolarHBondContact CZ3-OG 3.33Å; W316-I551 HydrophobicContact CD2-CB 4.43Å; W316-I551 HydrophobicContact CD2-CD1 4.29Å; W316-I551 HydrophobicContact CD2-CG1 3.39Å; W316-I551 HydrophobicContact CE3-CD1 4.22Å; W316-I551 HydrophobicContact CE3-CG1 3.37Å; W316-I551 HydrophobicContact CG-CD1 4.45Å; W316-I551 HydrophobicContact CG-CG1 3.92Å; W316-I551 HydrophobicContact CH2-CB 4.44Å; W316-I551 HydrophobicContact CH2-CG1 4.02Å; W316-I551 HydrophobicContact CZ2-CB 4.33Å; W316-I551 HydrophobicContact CZ2-CG1 4.06Å; W316-I551 HydrophobicContact CZ3-CG1 3.69Å; W316-H554 HydrophobicContact CH2-CB 4.25Å; W316-H554 HydrophobicContact CZ2-CB 3.78Å; W316-H554 AromaticContact CZ2-CG 3.97Å; W316-H555 AromaticContact CD1-NE2 3.96Å; W316-H555 AromaticContact CE2-NE2 3.79Å; W316-H555 AromaticContact NE1-CD2 3.63Å; W316-H555 AromaticContact NE1-NE2 2.95Å; W316-H555 PolarHBondContact NE1-NE2 2.87Å; W316-P863 PolarHBondContact N-O 3.27Å; W316-V864 HydrophobicContact CE3-CG1 3.87Å; W316-V864 HydrophobicContact CZ3-CG1 3.96Å; W316-V864 WeakPolarHBondContact O-CG2 3.4Å; W316-S866 WeakPolarHBondContact CH2-OG 3.49Å
317	G	93	Very high	90.3	Very high	1 Å²	1	22 Å²	22	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.7	-162	175.1	0	0	0	0	0	115	H312 L313	H312-G317 WeakPolarHBondContact CA-O 3.34Å; H312-G317 PolarHBondContact ND1-O 2.91Å; H312-G317 VanDerWaalsContact ND1-O 3.16Å; L313-G317 PolarHBondContact N-O 3.44Å; L313-G317 PolarHBondContact O-N 3.06Å
318	D	94.2	Very high	91	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.016	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.2	-171.8	-65.9	0.8	0	0	0	110.3	R310 V311 H312 L579 R691	R310-D318 PolarHBondContact NH2-O 3.38Å; V311-D318 WeakPolarHBondContact O-CA 3.41Å; H312-D318 IonicContact CE1-OD1 3.38Å; H312-D318 IonicContact CG-OD1 3.04Å; H312-D318 IonicContact ND1-OD1 2.73Å; H312-D318 PolarHBondContact ND1-OD1 2.86Å; D318-L579 HydrophobicContact CB-CD1 4.14Å; D318-L579 WeakPolarHBondContact OD2-CD1 3.32Å; D318-R691 IonicContact OD1-CZ 2.88Å; D318-R691 IonicContact OD1-NH1 2.82Å; D318-R691 PolarHBondContact OD1-NH1 3.41Å; D318-R691 IonicContact OD1-NH2 3.87Å; D318-R691 IonicContact OD2-CZ 3.64Å; D318-R691 IonicContact OD2-NH1 3.41Å; D318-R691 PolarHBondContact OD2-NH1 2.66Å; D318-R691 IonicContact OD2-NH2 3.5Å; D318-R691 PolarHBondContact OD2-NH2 2.73Å
319	F	93.9	Very high	91.3	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.018	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.3	-175.2	-60.6	-83.9	0	0	0	111.8	R310 V311 L313 W316 L540 V543 L547 I551	R310-F319 CarbonylContact C-O 3.52Å; R310-F319 VanDerWaalsContact CA-O 3.23Å; R310-F319 WeakPolarHBondContact CA-O 3.22Å; R310-F319 WeakPolarHBondContact CB-O 3.16Å; V311-F319 PolarHBondContact N-O 3.18Å; V311-F319 PolarHBondContact O-N 2.93Å; L313-F319 HydrophobicContact CB-CD2 4.27Å; L313-F319 HydrophobicContact CB-CE2 4.06Å; L313-F319 HydrophobicContact CD1-CD2 3.71Å; L313-F319 HydrophobicContact CD1-CE2 3.69Å; L313-F319 HydrophobicContact CG-CD2 3.77Å; L313-F319 HydrophobicContact CG-CE2 3.96Å; W316-F319 HydrophobicContact CB-CE2 4.13Å; W316-F319 HydrophobicContact CB-CZ 4.43Å; F319-L540 HydrophobicContact CB-CB 4.19Å; F319-L540 HydrophobicContact CB-CD1 4.05Å; F319-L540 HydrophobicContact CG-CD1 4.5Å; F319-V543 HydrophobicContact CD1-CG2 3.78Å; F319-V543 HydrophobicContact CE1-CG1 4.14Å; F319-V543 HydrophobicContact CE1-CG2 4.09Å; F319-L547 HydrophobicContact CE1-CD2 3.87Å; F319-L547 HydrophobicContact CZ-CD2 3.9Å; F319-I551 HydrophobicContact CZ-CD1 4.45Å
320	P	91.5	Very high	91	Very high	23 Å²	23	26.8 Å²	26.8	15%	0.149	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.1	174	1.8	14	0	0	0	110.6	L540 R541	P320-L540 WeakPolarHBondContact O-CA 3.34Å; P320-R541 VanDerWaalsContact CG-O 3.24Å; P320-R541 WeakPolarHBondContact CG-O 3.47Å; P320-R541 PolarHBondContact O-N 3.43Å
321	L	92.5	Very high	90.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.7	170.5	178.5	68.6	0	0	0	108.8	L293 L295 P309 E323 A324 W336 L538 L540	L293-L321 HydrophobicContact CD2-CD2 4.06Å; L295-L321 HydrophobicContact CD2-CD2 4Å; P309-L321 HydrophobicContact CG-CB 4.19Å; P309-L321 HydrophobicContact CG-CD2 4.1Å; P309-L321 WeakPolarHBondContact O-CB 3.4Å; P309-L321 PolarHBondContact O-N 2.95Å; L321-E323 WeakPolarHBondContact CD1-O 3.48Å; L321-A324 HydrophobicContact CD2-CB 4.44Å; L321-W336 HydrophobicContact CD2-CZ3 4.24Å; L321-W336 HydrophobicContact CG-CZ3 4.04Å; L321-L538 HydrophobicContact CD1-CB 3.79Å; L321-L538 HydrophobicContact CD1-CD2 3.94Å; L321-L538 HydrophobicContact CD1-CG 4.35Å; L321-L538 HydrophobicContact CD2-CD2 4.37Å; L321-L540 HydrophobicContact CB-CD2 4.35Å; L321-L540 HydrophobicContact CD1-CD2 3.9Å
322	I	90.6	Very high	90	Very high	29 Å²	29	36.6 Å²	36.6	15%	0.149	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-36.9	-178.2	-71.5	-164.2	0	0	0	111.9	Q337 I338 L539 R541	I322-Q337 CarbonylContact O-C 3.59Å; I322-Q337 WeakPolarHBondContact O-CA 3.36Å; I322-I338 HydrophobicContact CG2-CG2 4.02Å; I322-I338 PolarHBondContact O-N 3.07Å; I322-L539 PolarHBondContact N-O 3.27Å; I322-R541 HydrophobicContact CD1-CB 3.7Å; I322-R541 HydrophobicContact CD1-CG 3.93Å; I322-R541 VanDerWaalsContact CD1-NE 3.35Å; I322-R541 VanDerWaalsContact CD1-O 3.24Å; I322-R541 WeakPolarHBondContact CD1-O 3.35Å; I322-R541 HydrophobicContact CG1-CB 4.4Å; I322-R541 WeakPolarHBondContact CG1-O 3.25Å
323	E	92.3	Very high	89.6	Confident	24 Å²	24	43.7 Å²	43.7	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.1	-178.5	177	171.9	147.6	0	0	110.2	L321 K325 K335 W336 Q337 L539	L321-E323 WeakPolarHBondContact CD1-O 3.48Å; E323-K325 WeakPolarHBondContact OE1-CE 3.42Å; E323-K325 IonicContact OE1-NZ 3.04Å; E323-K335 VanDerWaalsContact CD-NZ 3.29Å; E323-K335 WeakPolarHBondContact OE1-CE 3.48Å; E323-K335 IonicContact OE1-NZ 2.94Å; E323-K335 PolarHBondContact OE1-NZ 3.19Å; E323-K335 VanDerWaalsContact OE2-CE 3.26Å; E323-K335 WeakPolarHBondContact OE2-CE 3.03Å; E323-K335 IonicContact OE2-NZ 3.09Å; E323-K335 PolarHBondContact OE2-NZ 3.04Å; E323-K335 VanDerWaalsContact OE2-NZ 3.09Å; E323-W336 VanDerWaalsContact CA-O 3.32Å; E323-W336 WeakPolarHBondContact CA-O 3.3Å; E323-Q337 HydrophobicContact CB-CG 4.31Å; E323-Q337 HydrophobicContact CG-CG 4.03Å; E323-Q337 PolarHBondContact OE2-NE2 3.3Å; E323-L539 HydrophobicContact CB-CB 3.91Å; E323-L539 HydrophobicContact CB-CD2 4.11Å; E323-L539 PolarHBondContact N-O 3Å; E323-L539 PolarHBondContact O-N 3.47Å
324	A	93.8	Very high	89.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.8	172.2	0	0	0	0	0	110.1	L321 K335 W336 I530 E537 L538	L321-A324 HydrophobicContact CD2-CB 4.44Å; A324-K335 WeakPolarHBondContact O-CA 3.47Å; A324-W336 HydrophobicContact CB-CE3 4.25Å; A324-W336 PolarHBondContact N-O 3.36Å; A324-W336 PolarHBondContact O-N 3.33Å; A324-I530 HydrophobicContact CB-CD1 3.64Å; A324-E537 CarbonylContact C-O 3.57Å; A324-E537 VanDerWaalsContact CA-O 3.28Å; A324-E537 WeakPolarHBondContact CA-O 3.12Å; A324-L538 HydrophobicContact CB-CD2 3.85Å
325	K	94.1	Very high	89.2	Confident	57 Å²	57	49.6 Å²	49.6	25%	0.248	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.1	172.8	-53.8	-178.6	-151.6	141.6	0	109.9	E323 Q334 K335 V536 E537	E323-K325 WeakPolarHBondContact OE1-CE 3.42Å; E323-K325 IonicContact OE1-NZ 3.04Å; K325-Q334 VanDerWaalsContact CA-O 3.3Å; K325-Q334 WeakPolarHBondContact CA-O 2.95Å; K325-K335 HydrophobicContact CG-CG 4.19Å; K325-V536 CarbonylContact O-C 3.57Å; K325-V536 VanDerWaalsContact O-CA 3.31Å; K325-V536 WeakPolarHBondContact O-CA 3.49Å; K325-E537 HydrophobicContact CB-CB 4.3Å; K325-E537 WeakPolarHBondContact CD-OE2 3.39Å; K325-E537 WeakPolarHBondContact CE-OE2 3.19Å; K325-E537 PolarHBondContact N-O 2.77Å; K325-E537 IonicContact NZ-OE2 3.98Å; K325-E537 PolarHBondContact NZ-OE2 3.19Å; K325-E537 PolarHBondContact O-N 2.94Å
326	W	93.4	Very high	89.1	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.027	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	167.8	175.8	71.1	99.5	0	0	0	110.8	Q334 W336 F527 I530 V534 V536	W326-Q334 HydrophobicContact CD2-CB 3.77Å; W326-Q334 VanDerWaalsContact CE2-CB 3.43Å; W326-Q334 HydrophobicContact CE3-CB 4.13Å; W326-Q334 HydrophobicContact CG-CB 4.36Å; W326-Q334 HydrophobicContact CH2-CB 3.88Å; W326-Q334 HydrophobicContact CZ2-CB 3.51Å; W326-Q334 HydrophobicContact CZ2-CG 4.07Å; W326-Q334 HydrophobicContact CZ3-CB 4.18Å; W326-Q334 PolarHBondContact N-O 3.14Å; W326-Q334 PolarHBondContact O-N 2.97Å; W326-W336 HydrophobicContact CH2-CB 4.34Å; W326-W336 HydrophobicContact CZ3-CB 3.96Å; W326-F527 HydrophobicContact CH2-CB 3.84Å; W326-F527 AromaticContact CH2-CD1 3.97Å; W326-F527 HydrophobicContact CH2-CD1 3.97Å; W326-F527 AromaticContact CH2-CD2 3.98Å; W326-F527 HydrophobicContact CH2-CD2 3.98Å; W326-F527 AromaticContact CH2-CG 3.63Å; W326-F527 HydrophobicContact CH2-CG 3.63Å; W326-F527 HydrophobicContact CZ2-CB 4.33Å; W326-F527 AromaticContact CZ2-CD1 3.73Å; W326-F527 HydrophobicContact CZ2-CD1 3.73Å; W326-F527 HydrophobicContact CZ2-CD2 4.48Å; W326-F527 HydrophobicContact CZ2-CE1 4.21Å; W326-F527 AromaticContact CZ2-CG 3.91Å; W326-F527 HydrophobicContact CZ2-CG 3.91Å; W326-I530 HydrophobicContact CB-CG2 4.44Å; W326-I530 HydrophobicContact CD2-CD1 4.33Å; W326-I530 HydrophobicContact CD2-CG1 4.35Å; W326-I530 HydrophobicContact CD2-CG2 3.83Å; W326-I530 HydrophobicContact CE3-CD1 3.73Å; W326-I530 HydrophobicContact CE3-CG1 4.04Å; W326-I530 HydrophobicContact CE3-CG2 4.29Å; W326-I530 HydrophobicContact CG-CG2 3.9Å; W326-I530 HydrophobicContact CH2-CG1 4.19Å; W326-I530 HydrophobicContact CZ2-CG1 4.47Å; W326-I530 HydrophobicContact CZ3-CD1 3.91Å; W326-I530 HydrophobicContact CZ3-CG1 3.96Å; W326-V534 HydrophobicContact CB-CG2 4.17Å; W326-V534 HydrophobicContact CG-CG2 4.31Å; W326-V536 HydrophobicContact CB-CB 4.36Å; W326-V536 HydrophobicContact CB-CG1 3.72Å
327	I	88	Confident	88.8	Confident	97 Å²	97	52.5 Å²	52.5	50%	0.497	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.8	171.9	-60.1	173.3	0	0	0	107.3
328	D	81.7	Confident	88.2	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.037	27%	0.267	C	S	.	.			trans	-80.6	172.8	178.7	-174.3	39	0	0	0	111.8	Y330 H331 L332 Q334 Y520 P522	D328-Y330 PolarHBondContact O-N 3.23Å; D328-H331 PolarHBondContact O-N 2.98Å; D328-L332 PolarHBondContact N-O 3.34Å; D328-Q334 HydrophobicContact CB-CG 3.92Å; D328-Y520 PolarHBondContact OD1-OH 3.44Å; D328-P522 WeakPolarHBondContact OD2-CB 3.12Å
329	S	76.9	Confident	87.4	Confident	71 Å²	71	58.2 Å²	58.2	50%	0.497	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.8	-178.6	-52.7	0	0	0	0	114.6	H331	S329-H331 VanDerWaalsContact C-N 3.32Å
330	Y	79.4	Confident	86.2	Confident	160 Å²	160	60.8 Å²	60.8	63%	0.627	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	10.7	175.2	-63.5	-80.9	0	0	0	114.1	D328 L332 P522	D328-Y330 PolarHBondContact O-N 3.23Å; Y330-L332 PolarHBondContact O-N 3Å; Y330-P522 HydrophobicContact CD2-CG 4.05Å; Y330-P522 HydrophobicContact CE2-CB 4.47Å; Y330-P522 HydrophobicContact CE2-CG 3.47Å; Y330-P522 VanDerWaalsContact CE2-CG 3.47Å
331	H	79.4	Confident	85.1	Confident	168 Å²	168	60 Å²	60	78%	0.778	30%	0.295	S	S	*	.	S	Bend	trans	59.7	23	-173.4	-60.8	-72.4	0	0	0	114.2	D328 S329	D328-H331 PolarHBondContact O-N 2.98Å; S329-H331 VanDerWaalsContact C-N 3.32Å
332	L	85.5	Confident	83.8	Confident	104 Å²	104	64.5 Å²	64.5	55%	0.545	32%	0.32	S	S	.	.			trans	-92.9	131.3	174.3	-68.5	170.4	0	0	0	109.5	D328 Y330 Q334	D328-L332 PolarHBondContact N-O 3.34Å; Y330-L332 PolarHBondContact O-N 3Å; L332-Q334 PolarHBondContact O-N 3.5Å
333	Q	86.9	Confident	82.2	Confident	149 Å²	149	65.2 Å²	65.2	70%	0.696	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	122.8	173.4	-171.1	175.4	7.1	0	0	109.4
334	Q	88.7	Confident	80.5	Confident	35 Å²	35	66 Å²	66	16%	0.164	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	149	175.6	-57.7	-55.7	-19.4	0	0	110	K325 W326 D328 L332 F527	K325-Q334 VanDerWaalsContact CA-O 3.3Å; K325-Q334 WeakPolarHBondContact CA-O 2.95Å; W326-Q334 HydrophobicContact CD2-CB 3.77Å; W326-Q334 VanDerWaalsContact CE2-CB 3.43Å; W326-Q334 HydrophobicContact CE3-CB 4.13Å; W326-Q334 HydrophobicContact CG-CB 4.36Å; W326-Q334 HydrophobicContact CH2-CB 3.88Å; W326-Q334 HydrophobicContact CZ2-CB 3.51Å; W326-Q334 HydrophobicContact CZ2-CG 4.07Å; W326-Q334 HydrophobicContact CZ3-CB 4.18Å; W326-Q334 PolarHBondContact N-O 3.14Å; W326-Q334 PolarHBondContact O-N 2.97Å; D328-Q334 HydrophobicContact CB-CG 3.92Å; L332-Q334 PolarHBondContact O-N 3.5Å; Q334-F527 HydrophobicContact CB-CZ 4.33Å; Q334-F527 HydrophobicContact CG-CE1 4.28Å; Q334-F527 HydrophobicContact CG-CZ 4.15Å
335	K	90.2	Very high	78.5	Confident	95 Å²	95	69.7 Å²	69.7	41%	0.413	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.7	-179.9	-176.1	175.9	-171.3	175.1	0	109	E323 A324 K325 Q337	E323-K335 VanDerWaalsContact CD-NZ 3.29Å; E323-K335 WeakPolarHBondContact OE1-CE 3.48Å; E323-K335 IonicContact OE1-NZ 2.94Å; E323-K335 PolarHBondContact OE1-NZ 3.19Å; E323-K335 VanDerWaalsContact OE2-CE 3.26Å; E323-K335 WeakPolarHBondContact OE2-CE 3.03Å; E323-K335 IonicContact OE2-NZ 3.09Å; E323-K335 PolarHBondContact OE2-NZ 3.04Å; E323-K335 VanDerWaalsContact OE2-NZ 3.09Å; A324-K335 WeakPolarHBondContact O-CA 3.47Å; K325-K335 HydrophobicContact CG-CG 4.19Å; K335-Q337 VanDerWaalsContact CE-NE2 3.34Å
336	W	90.2	Very high	76.3	Confident	1 Å²	1	72.3 Å²	72.3	0%	0.004	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.7	170.7	173.7	85.2	0	0	0	109.4	L295 F296 P309 L321 E323 A324 W326 I338	L295-W336 HydrophobicContact CB-CD2 4.4Å; L295-W336 HydrophobicContact CB-CZ2 4.3Å; L295-W336 HydrophobicContact CD1-CB 4.01Å; L295-W336 HydrophobicContact CD1-CD2 3.98Å; L295-W336 HydrophobicContact CD1-CG 3.61Å; L295-W336 HydrophobicContact CD2-CD2 4Å; L295-W336 HydrophobicContact CD2-CE3 4.02Å; L295-W336 HydrophobicContact CD2-CG 4.48Å; L295-W336 HydrophobicContact CD2-CZ3 4.38Å; L295-W336 HydrophobicContact CG-CD2 4.35Å; L295-W336 HydrophobicContact CG-CG 4.47Å; F296-W336 AromaticContact CE2-CD1 3.99Å; F296-W336 AromaticContact CE2-NE1 3.26Å; F296-W336 VanDerWaalsContact CE2-NE1 3.26Å; F296-W336 AromaticContact CZ-NE1 3.3Å; F296-W336 VanDerWaalsContact CZ-NE1 3.3Å; P309-W336 HydrophobicContact CG-CH2 3.6Å; P309-W336 HydrophobicContact CG-CZ2 4.12Å; P309-W336 HydrophobicContact CG-CZ3 4.2Å; L321-W336 HydrophobicContact CD2-CZ3 4.24Å; L321-W336 HydrophobicContact CG-CZ3 4.04Å; E323-W336 VanDerWaalsContact CA-O 3.32Å; E323-W336 WeakPolarHBondContact CA-O 3.3Å; A324-W336 HydrophobicContact CB-CE3 4.25Å; A324-W336 PolarHBondContact N-O 3.36Å; A324-W336 PolarHBondContact O-N 3.33Å; W326-W336 HydrophobicContact CH2-CB 4.34Å; W326-W336 HydrophobicContact CZ3-CB 3.96Å; W336-I338 HydrophobicContact CH2-CB 4.24Å
337	Q	87.6	Confident	74	Confident	67 Å²	67	76 Å²	76	31%	0.313	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152	174.1	-69.3	-175.6	-43	0	0	111.1	I322 E323 K335 S339 D340	I322-Q337 CarbonylContact O-C 3.59Å; I322-Q337 WeakPolarHBondContact O-CA 3.36Å; E323-Q337 HydrophobicContact CB-CG 4.31Å; E323-Q337 HydrophobicContact CG-CG 4.03Å; E323-Q337 PolarHBondContact OE2-NE2 3.3Å; K335-Q337 VanDerWaalsContact CE-NE2 3.34Å; Q337-S339 WeakPolarHBondContact CB-OG 3.34Å; Q337-S339 PolarHBondContact O-N 3.05Å; Q337-S339 VanDerWaalsContact O-N 3.12Å; Q337-D340 PolarHBondContact N-OD2 2.93Å; Q337-D340 WeakPolarHBondContact O-CB 3.41Å; Q337-D340 VanDerWaalsContact O-CG 3.23Å; Q337-D340 PolarHBondContact O-N 3Å
338	I	81.9	Confident	72	Confident	62 Å²	62	75.4 Å²	75.4	32%	0.318	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.8	178.8	-161.7	168.5	0	0	0	112.9	I322 W336 D340 L341	I322-I338 HydrophobicContact CG2-CG2 4.02Å; I322-I338 PolarHBondContact O-N 3.07Å; W336-I338 HydrophobicContact CH2-CB 4.24Å; I338-D340 PolarHBondContact O-N 3.13Å; I338-L341 HydrophobicContact CD1-CD1 4.47Å; I338-L341 HydrophobicContact CG1-CD1 3.53Å; I338-L341 VanDerWaalsContact O-CB 3.27Å; I338-L341 WeakPolarHBondContact O-CB 3.33Å; I338-L341 WeakPolarHBondContact O-CD1 3.42Å; I338-L341 WeakPolarHBondContact O-CG 3.37Å; I338-L341 PolarHBondContact O-N 2.79Å; I338-L341 VanDerWaalsContact O-N 3.09Å
339	S	76.4	Confident	69.7	Low	63 Å²	63	80.4 Å²	80.4	44%	0.441	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.7	172.2	44.4	0	0	0	0	113.3	Q337 L341 N342	Q337-S339 WeakPolarHBondContact CB-OG 3.34Å; Q337-S339 PolarHBondContact O-N 3.05Å; Q337-S339 VanDerWaalsContact O-N 3.12Å; S339-L341 PolarHBondContact O-N 3.1Å; S339-N342 PolarHBondContact O-N 3.22Å; S339-N342 VanDerWaalsContact O-N 3.1Å
340	D	70.1	Confident	67.5	Low	57 Å²	57	85.8 Å²	85.8	31%	0.305	44%	0.438	S	S	.	.	H	α-helix	trans	-64.8	-20.7	178.5	-58	-28.9	0	0	0	111.8	Q337 I338 N342 A343 V344	Q337-D340 PolarHBondContact N-OD2 2.93Å; Q337-D340 WeakPolarHBondContact O-CB 3.41Å; Q337-D340 VanDerWaalsContact O-CG 3.23Å; Q337-D340 PolarHBondContact O-N 3Å; I338-D340 PolarHBondContact O-N 3.13Å; D340-N342 PolarHBondContact O-N 2.85Å; D340-A343 WeakPolarHBondContact O-CB 3.36Å; D340-A343 PolarHBondContact O-N 2.87Å; D340-A343 VanDerWaalsContact O-N 3.1Å; D340-V344 PolarHBondContact O-N 2.93Å
341	L	66.7	Low	64.9	Low	6 Å²	6	82.4 Å²	82.4	3%	0.031	44%	0.437	C	S	.	.	H	α-helix	trans	-59	-35.2	172.2	-70.9	160.2	0	0	0	112.8	F296 L306 I338 S339 A343 V344 K345	F296-L341 HydrophobicContact CD1-CD2 3.16Å; F296-L341 HydrophobicContact CD1-CG 4.26Å; F296-L341 HydrophobicContact CE1-CB 4.37Å; F296-L341 HydrophobicContact CE1-CD2 3.14Å; F296-L341 HydrophobicContact CE1-CG 3.77Å; F296-L341 HydrophobicContact CG-CD2 4.18Å; F296-L341 HydrophobicContact CZ-CD2 4.13Å; F296-L341 HydrophobicContact CZ-CG 4.45Å; L306-L341 HydrophobicContact CB-CB 4.48Å; L306-L341 HydrophobicContact CB-CD2 4.36Å; L306-L341 HydrophobicContact CD1-CB 4.16Å; L306-L341 HydrophobicContact CD1-CD2 4.2Å; L306-L341 WeakPolarHBondContact CD1-O 3.44Å; I338-L341 HydrophobicContact CD1-CD1 4.47Å; I338-L341 HydrophobicContact CG1-CD1 3.53Å; I338-L341 VanDerWaalsContact O-CB 3.27Å; I338-L341 WeakPolarHBondContact O-CB 3.33Å; I338-L341 WeakPolarHBondContact O-CD1 3.42Å; I338-L341 WeakPolarHBondContact O-CG 3.37Å; I338-L341 PolarHBondContact O-N 2.79Å; I338-L341 VanDerWaalsContact O-N 3.09Å; S339-L341 PolarHBondContact O-N 3.1Å; L341-A343 VanDerWaalsContact C-N 3.33Å; L341-V344 PolarHBondContact O-N 3.41Å; L341-K345 PolarHBondContact O-N 3.11Å
342	N	65.4	Low	62.4	Low	96 Å²	96	81.1 Å²	81.1	51%	0.513	43%	0.434	S	S	.	.	H	α-helix	trans	-70.2	-32.3	177.4	-69	-26.7	0	0	0	111.6	S339 D340 V344 K345	S339-N342 PolarHBondContact O-N 3.22Å; S339-N342 VanDerWaalsContact O-N 3.1Å; D340-N342 PolarHBondContact O-N 2.85Å; N342-V344 VanDerWaalsContact C-N 3.33Å; N342-V344 PolarHBondContact O-N 3.42Å; N342-K345 PolarHBondContact O-N 3.21Å
343	A	58.1	Low	59.6	Low	44 Å²	44	80.5 Å²	80.5	36%	0.364	44%	0.436	S	S	.	.	H	α-helix	trans	-66.1	-35.3	173.8	0	0	0	0	0	111.9	D340 L341 N346 I347	D340-A343 WeakPolarHBondContact O-CB 3.36Å; D340-A343 PolarHBondContact O-N 2.87Å; D340-A343 VanDerWaalsContact O-N 3.1Å; L341-A343 VanDerWaalsContact C-N 3.33Å; A343-N346 PolarHBondContact O-N 3.27Å; A343-I347 PolarHBondContact O-N 3.26Å
344	V	55.4	Low	56.6	Low	39 Å²	39	83.7 Å²	83.7	24%	0.236	45%	0.448	C	S	.	.	H	α-helix	trans	-66.5	-39.3	176.1	-177.3	0	0	0	0	112.4	F296 D340 L341 N342 N346 I347 S348 I526	F296-V344 HydrophobicContact CD1-CG2 4.03Å; F296-V344 HydrophobicContact CE1-CB 4.16Å; F296-V344 HydrophobicContact CE1-CG2 3.37Å; F296-V344 HydrophobicContact CZ-CG2 3.9Å; D340-V344 PolarHBondContact O-N 2.93Å; L341-V344 PolarHBondContact O-N 3.41Å; N342-V344 VanDerWaalsContact C-N 3.33Å; N342-V344 PolarHBondContact O-N 3.42Å; V344-N346 PolarHBondContact O-N 3.25Å; V344-I347 PolarHBondContact O-N 3.38Å; V344-I347 VanDerWaalsContact O-N 3.14Å; V344-S348 PolarHBondContact O-N 3.34Å; V344-I526 HydrophobicContact CG2-CD1 4.21Å; V344-I526 HydrophobicContact CG2-CG2 3.6Å
345	K	53.2	Low	53.7	Low	78 Å²	78	86.6 Å²	86.6	34%	0.339	47%	0.472	S	S	.	.	H	α-helix	trans	-55	-40.5	174.5	-71	-178.4	179.1	166.2	0	111.8	L306 L341 N342 I347	L306-K345 HydrophobicContact CD1-CD 4.14Å; L306-K345 HydrophobicContact CD1-CG 3.45Å; L306-K345 VanDerWaalsContact CD1-CG 3.45Å; L306-K345 HydrophobicContact CG-CD 4.48Å; L306-K345 HydrophobicContact CG-CG 4.13Å; L341-K345 PolarHBondContact O-N 3.11Å; N342-K345 PolarHBondContact O-N 3.21Å; K345-I347 VanDerWaalsContact C-N 3.33Å; K345-I347 PolarHBondContact O-N 3.2Å
346	N	46.4	Very low	50.5	Low	113 Å²	113	87.6 Å²	87.6	60%	0.604	49%	0.486	S	S	*	.	H	α-helix	trans	-73	-22.7	-177.7	-68.3	-15.7	0	0	0	113.6	A343 V344 T349	A343-N346 PolarHBondContact O-N 3.27Å; V344-N346 PolarHBondContact O-N 3.25Å; N346-T349 PolarHBondContact O-OG1 3.16Å
347	I	46.9	Very low	47.4	Very low	84 Å²	84	92.8 Å²	92.8	43%	0.431	52%	0.522	S	S	.	.	H	α-helix	trans	-90.6	-36	179.3	-67.4	161.5	0	0	0	111.5	A343 V344 K345 T349 K350 C351 I526	A343-I347 PolarHBondContact O-N 3.26Å; V344-I347 PolarHBondContact O-N 3.38Å; V344-I347 VanDerWaalsContact O-N 3.14Å; K345-I347 VanDerWaalsContact C-N 3.33Å; K345-I347 PolarHBondContact O-N 3.2Å; I347-T349 PolarHBondContact O-N 3.22Å; I347-K350 PolarHBondContact O-N 3.04Å; I347-C351 HydrophobicContact CG2-CB 4.45Å; I347-C351 PolarHBondContact O-N 3.27Å; I347-I526 HydrophobicContact CD1-CD1 3.15Å
348	S	44.6	Very low	44.5	Very low	84 Å²	84	95 Å²	95	59%	0.587	54%	0.541	S	S	*	.	H	α-helix	trans	-60.5	-28.5	177.2	-171.2	0	0	0	0	112.5	V344	V344-S348 PolarHBondContact O-N 3.34Å
349	T	34.5	Very low	41.7	Very low	112 Å²	112	100.2 Å²	100.2	69%	0.687	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-22.1	175.7	51.4	0	0	0	0	114.2	N346 I347	N346-T349 PolarHBondContact O-OG1 3.16Å; I347-T349 PolarHBondContact O-N 3.22Å
350	K	30.7	Very low	39.3	Very low	185 Å²	185	103.9 Å²	103.9	80%	0.804	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-19	-176.1	-77	-174.7	177.3	179	0	115.2	I347	I347-K350 PolarHBondContact O-N 3.04Å
351	C	24.3	Very low	37.1	Very low	88 Å²	88	105.1 Å²	105.1	60%	0.595	59%	0.585	S	S	*	*			trans	-123.6	74.9	-177.8	-71.1	0	0	0	0	111.4	I347 P353	I347-C351 HydrophobicContact CG2-CB 4.45Å; I347-C351 PolarHBondContact O-N 3.27Å; C351-P353 WeakPolarHBondContact O-CD 3.48Å
352	I	27	Very low	35.2	Very low	142 Å²	142	111.4 Å²	111.4	73%	0.728	62%	0.618	S	S	*	*			trans	-99.2	88.6	155.9	-54.6	175.5	0	0	0	106.8
353	P	25.9	Very low	33.4	Very low	90 Å²	90	113.3 Å²	113.3	58%	0.584	62%	0.624	S	S	*	*			trans	-62.5	142.1	165.5	26.2	-30.3	0	0	0	108.8	C351 S355	C351-P353 WeakPolarHBondContact O-CD 3.48Å; P353-S355 PolarHBondContact O-N 3.01Å
354	K	25.3	Very low	31.8	Very low	217 Å²	217	118 Å²	118	94%	0.943	64%	0.643	S	S	*	*			trans	-64.7	68.7	172.6	-67	176.1	178.7	174.8	0	110.1
355	S	26.3	Very low	30.4	Very low	95 Å²	95	124.1 Å²	124.1	66%	0.664	67%	0.669	S	S	*	*			trans	-96.9	106.8	178.2	-74.6	0	0	0	0	109.6	P353	P353-S355 PolarHBondContact O-N 3.01Å
356	T	24.1	Very low	29	Very low	117 Å²	117	127 Å²	127	72%	0.718	69%	0.688	S	S	*	*			trans	28.4	102.3	152.4	-42.6	0	0	0	0	114.5	V358	T356-V358 PolarHBondContact O-N 3.16Å
357	S	24.8	Very low	28.1	Very low	109 Å²	109	127 Å²	127	76%	0.762	70%	0.696	S	S	*	*			trans	-52.8	89.4	161.1	59.8	0	0	0	0	109	K359	S357-K359 PolarHBondContact O-N 3.3Å
358	V	26	Very low	27.1	Very low	115 Å²	115	132.3 Å²	132.3	70%	0.697	72%	0.719	S	S	*	*			trans	-68.5	93.8	163.5	178.5	0	0	0	0	103.5	T356 L360	T356-V358 PolarHBondContact O-N 3.16Å; V358-L360 VanDerWaalsContact C-N 3.31Å; V358-L360 PolarHBondContact O-N 2.77Å
359	K	23.3	Very low	26.1	Very low	170 Å²	170	136.6 Å²	136.6	74%	0.739	73%	0.729	S	S	*	*			trans	-48.1	108.4	159.6	-79.3	176.9	175.6	177.1	0	104.5	S357 T361	S357-K359 PolarHBondContact O-N 3.3Å; K359-T361 HydrophobicContact CB-CG2 4.14Å; K359-T361 PolarHBondContact O-N 3.47Å
360	L	26.7	Very low	25.7	Very low	140 Å²	140	139 Å²	139	73%	0.733	74%	0.738	S	S	*	*			trans	-60.3	85.1	150.8	-68.1	169.7	0	0	0	103.4	V358 N362	V358-L360 VanDerWaalsContact C-N 3.31Å; V358-L360 PolarHBondContact O-N 2.77Å; L360-N362 PolarHBondContact O-N 2.98Å
361	T	24.6	Very low	25.5	Very low	84 Å²	84	135.8 Å²	135.8	52%	0.515	74%	0.739	S	S	.	*			trans	-57.7	113.9	166.5	45.2	0	0	0	0	103.5	K359 E363	K359-T361 HydrophobicContact CB-CG2 4.14Å; K359-T361 PolarHBondContact O-N 3.47Å; T361-E363 PolarHBondContact O-N 2.99Å
362	N	26.3	Very low	25.4	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	75%	0.752	S	S	*	*			trans	-61.7	63.8	159.3	-80	-5.9	0	0	0	107.2	L360	L360-N362 PolarHBondContact O-N 2.98Å
363	E	26.6	Very low	25.5	Very low	136 Å²	136	137.6 Å²	137.6	64%	0.636	75%	0.751	S	S	*	*			trans	-82.9	117.9	159.5	-77.3	-174.5	-174	0	0	104	T361	T361-E363 PolarHBondContact O-N 2.99Å
364	N	25.8	Very low	25.5	Very low	142 Å²	142	140.7 Å²	140.7	76%	0.759	76%	0.762	S	S	*	*			trans	94.2	52.4	-175.1	-40.4	-37.2	0	0	0	115.2	D366	N364-D366 PolarHBondContact O-N 3.48Å
365	E	24.9	Very low	25.5	Very low	168 Å²	168	138.9 Å²	138.9	79%	0.785	76%	0.757	S	S	*	*				-78.1	79.8	125	-79.1	-177.6	-178.6	0	0	106.5
366	D	24.8	Very low	25.5	Very low	139 Å²	139	142.3 Å²	142.3	74%	0.743	77%	0.765	S	S	*	*			trans	-153.3	131.7	164.7	-91.9	-37	0	0	0	107.9	N364	N364-D366 PolarHBondContact O-N 3.48Å
367	C	26.3	Very low	25.6	Very low	112 Å²	112	142.4 Å²	142.4	76%	0.757	77%	0.77	S	S	*	*			trans	85.1	57.7	175.4	-48.1	0	0	0	0	116.9	E369	C367-E369 PolarHBondContact O-N 3.21Å; C367-E369 VanDerWaalsContact O-N 3.08Å
368	E	26.7	Very low	25.7	Very low	196 Å²	196	142.7 Å²	142.7	92%	0.916	77%	0.767	S	S	*	*			trans	-65.6	75.6	137.2	-73.3	-79.7	153.5	0	0	107.9
369	E	24.5	Very low	25.6	Very low	174 Å²	174	144 Å²	144	81%	0.813	77%	0.771	S	S	*	*			trans	-172.1	71.5	168.7	-109.9	177.4	-138.4	0	0	109	C367	C367-E369 PolarHBondContact O-N 3.21Å; C367-E369 VanDerWaalsContact O-N 3.08Å
370	D	25	Very low	25.8	Very low	163 Å²	163	141.8 Å²	141.8	87%	0.872	77%	0.766	S	S	*	*			trans	-147.9	61.7	157.9	-89.5	-29.4	0	0	0	106.9
371	S	26.1	Very low	25.7	Very low	116 Å²	116	139.7 Å²	139.7	81%	0.811	76%	0.763	S	S	*	*			trans	-139.2	58.1	162.8	-69.7	0	0	0	0	107.7
372	L	23.5	Very low	25.9	Very low	168 Å²	168	143.8 Å²	143.8	88%	0.88	78%	0.776	S	S	*	*			trans	-99.4	82.6	155.2	-67	175.6	0	0	0	105.7	D374	L372-D374 PolarHBondContact O-N 3.38Å
373	S	28.6	Very low	25.9	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	78%	0.784	S	S	*	*			trans	-70.2	109.4	158.9	44.8	0	0	0	0	107.1	E375	S373-E375 VanDerWaalsContact C-N 3.35Å; S373-E375 PolarHBondContact O-N 3.11Å
374	D	24.5	Very low	25.8	Very low	155 Å²	155	145 Å²	145	83%	0.829	79%	0.79	S	S	*	*			trans	-57.6	93.9	162.3	-77	-36.4	0	0	0	108.9	L372	L372-D374 PolarHBondContact O-N 3.38Å
375	E	26	Very low	25.8	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	79%	0.793	S	S	*	*			trans	-111.6	92.9	159.2	-64.6	-143.4	173.9	0	0	107.9	S373 S377	S373-E375 VanDerWaalsContact C-N 3.35Å; S373-E375 PolarHBondContact O-N 3.11Å; E375-S377 PolarHBondContact O-N 2.67Å
376	M	27.5	Very low	25.8	Very low	168 Å²	168	143.4 Å²	143.4	83%	0.828	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.1	120.4	165.2	-64.4	-72.8	-81.8	0	0	106.9	V378	M376-V378 PolarHBondContact O-N 2.87Å
377	S	24.3	Very low	26	Very low	118 Å²	118	145.6 Å²	145.6	83%	0.825	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-55	122.9	170.6	50.9	0	0	0	0	110.5	E375	E375-S377 PolarHBondContact O-N 2.67Å
378	V	27.9	Very low	25.9	Very low	115 Å²	115	147.3 Å²	147.3	70%	0.697	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-81.7	117.6	165.6	-175	0	0	0	0	106.9	M376 D380	M376-V378 PolarHBondContact O-N 2.87Å; V378-D380 PolarHBondContact O-N 3.16Å
379	D	23.1	Very low	25.7	Very low	144 Å²	144	146.1 Å²	146.1	77%	0.77	79%	0.793	S	S	*	*			trans	-85	89.7	171.3	-173.7	19.1	0	0	0	107.5	S381	D379-S381 PolarHBondContact O-N 3.07Å
380	D	27.6	Very low	25.7	Very low	122 Å²	122	148.2 Å²	148.2	65%	0.652	79%	0.794	S	S	*	*			trans	-91.7	83.1	172.5	-83.1	-26.4	0	0	0	109.4	V378 H382	V378-D380 PolarHBondContact O-N 3.16Å; D380-H382 PolarHBondContact O-N 3.05Å
381	S	24.6	Very low	25.6	Very low	96 Å²	96	147.7 Å²	147.7	67%	0.671	79%	0.791	S	S	*	*			trans	-77.5	91.2	162.1	62.8	0	0	0	0	109.3	D379	D379-S381 PolarHBondContact O-N 3.07Å
382	H	29.9	Very low	25.7	Very low	170 Å²	170	145.8 Å²	145.8	79%	0.787	78%	0.782	S	S	*	*			trans	-108.3	114.5	162.4	-78.8	-67.5	0	0	0	110.3	D380 S384	D380-H382 PolarHBondContact O-N 3.05Å; H382-S384 PolarHBondContact O-N 3.06Å
383	Q	25.7	Very low	25.6	Very low	190 Å²	190	144.8 Å²	144.8	89%	0.888	78%	0.783	S	S	*	*			trans	-59.4	123.3	173.3	-72.9	171.7	-7	0	0	110	T385	Q383-T385 PolarHBondContact O-N 2.88Å
384	S	25.6	Very low	25.6	Very low	109 Å²	109	144.4 Å²	144.4	76%	0.762	77%	0.771	S	S	*	*			trans	-69.7	116.4	167.6	53.5	0	0	0	0	109.9	H382	H382-S384 PolarHBondContact O-N 3.06Å
385	T	26	Very low	25.6	Very low	137 Å²	137	146.7 Å²	146.7	84%	0.84	78%	0.776	S	S	*	*			trans	-91	111.5	159.3	47	0	0	0	0	108.5	Q383	Q383-T385 PolarHBondContact O-N 2.88Å
386	N	23	Very low	25.7	Very low	140 Å²	140	143.8 Å²	143.8	75%	0.749	77%	0.765	S	S	*	*			trans	-57.9	132.4	165.8	-73.5	-25.8	0	0	0	110.3
387	E	29.3	Very low	25.6	Very low	185 Å²	185	140.9 Å²	140.9	86%	0.864	76%	0.762	S	S	*	*			trans	-150	100.8	137.5	-69.8	-157.4	161.8	0	0	110.3
388	N	25.3	Very low	25.7	Very low	149 Å²	149	140.1 Å²	140.1	80%	0.797	75%	0.748	S	S	*	*				46	124.2	123.4	-58.2	-22.5	0	0	0	122.9
389	H	22.5	Very low	25.7	Very low	170 Å²	170	141.6 Å²	141.6	79%	0.787	75%	0.747	S	S	*	*				113.7	138.8	123.9	-142.4	76.9	0	0	0	118.4
390	W	24.8	Very low	26.1	Very low	218 Å²	218	140.4 Å²	140.4	83%	0.826	74%	0.74	S	S	*	*			trans	-55.3	167	-172.3	-48	79.7	0	0	0	114.4
391	D	23	Very low	26.1	Very low	152 Å²	152	139.7 Å²	139.7	81%	0.813	73%	0.733	S	S	*	*			cis	-173.3	176.5	49.4	-163.9	7.9	0	0	0	110.4
392	A	26.5	Very low	26.3	Very low	76 Å²	76	138.2 Å²	138.2	63%	0.628	72%	0.723	S	S	*	*			trans	87.9	96.9	166.9	0	0	0	0	0	118.5
393	T	21.2	Very low	26.2	Very low	147 Å²	147	137.5 Å²	137.5	90%	0.902	72%	0.72	S	S	*	*			trans	-58.1	120.8	150.2	26.9	0	0	0	0	110.7
394	E	29	Very low	26.5	Very low	93 Å²	93	132.6 Å²	132.6	44%	0.435	70%	0.699	S	S	.	*			trans	-121.1	133.3	161.9	-77.3	-170.4	175.1	0	0	109.9	I396	E394-I396 PolarHBondContact O-N 3.18Å; E394-I396 VanDerWaalsContact O-N 3.14Å
395	E	24.3	Very low	26.9	Very low	203 Å²	203	131.8 Å²	131.8	95%	0.949	69%	0.694	S	S	*	*			trans	-68.8	102.2	177.9	-67.2	-175.1	162	0	0	109.4	S397	E395-S397 PolarHBondContact O-N 3.14Å
396	I	28.4	Very low	26.9	Very low	118 Å²	118	127.6 Å²	127.6	61%	0.605	68%	0.677	S	S	*	*			trans	-73.9	121.2	174.1	-60.8	173.9	0	0	0	108.2	E394 D398 M444	E394-I396 PolarHBondContact O-N 3.18Å; E394-I396 VanDerWaalsContact O-N 3.14Å; I396-D398 PolarHBondContact O-N 2.77Å; I396-M444 HydrophobicContact CD1-CE 4.29Å; I396-M444 HydrophobicContact CD1-CG 4.45Å; I396-M444 HydrophobicContact CD1-SD 4.22Å
397	S	26.3	Very low	27.2	Very low	107 Å²	107	127 Å²	127	75%	0.748	67%	0.674	S	S	*	*			trans	-53.3	108.9	172.8	-179.4	0	0	0	0	111.4	E395 H399	E395-S397 PolarHBondContact O-N 3.14Å; S397-H399 PolarHBondContact O-N 2.92Å; S397-H399 VanDerWaalsContact O-N 3.11Å
398	D	26.8	Very low	27.2	Very low	101 Å²	101	122.7 Å²	122.7	54%	0.54	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	13.9	-171.2	-121.2	-1.9	0	0	0	114.1	I396 L400	I396-D398 PolarHBondContact O-N 2.77Å; D398-L400 VanDerWaalsContact C-N 3.33Å; D398-L400 PolarHBondContact O-N 3.04Å
399	H	28	Very low	27.5	Very low	146 Å²	146	120.9 Å²	120.9	68%	0.676	66%	0.655	S	S	*	*	H	α-helix	trans	-73.1	-23.4	-164.3	-138.6	6.6	0	0	0	113.9	S397 S402	S397-H399 PolarHBondContact O-N 2.92Å; S397-H399 VanDerWaalsContact O-N 3.11Å; H399-S402 PolarHBondContact O-OG 2.96Å; H399-S402 VanDerWaalsContact O-OG 3.05Å
400	L	30.1	Very low	28.1	Very low	119 Å²	119	116.1 Å²	116.1	62%	0.623	63%	0.634	S	S	*	*	H	α-helix	trans	-81.9	-23.4	-177	-135.3	88	0	0	0	114.6	D398	D398-L400 VanDerWaalsContact C-N 3.33Å; D398-L400 PolarHBondContact O-N 3.04Å
401	E	28.2	Very low	28.9	Very low	107 Å²	107	112.6 Å²	112.6	50%	0.5	63%	0.627	S	S	.	*	H	α-helix	trans	-79.2	-25.8	178.3	-78.1	-107.5	139.6	0	0	112	L404	E401-L404 PolarHBondContact O-N 3.34Å
402	S	29.4	Very low	29.9	Very low	66 Å²	66	110.6 Å²	110.6	46%	0.462	61%	0.609	S	S	.	*	H	α-helix	trans	-68.6	-35.1	-174.6	74.6	0	0	0	0	113.5	H399 L404 S405	H399-S402 PolarHBondContact O-OG 2.96Å; H399-S402 VanDerWaalsContact O-OG 3.05Å; S402-L404 VanDerWaalsContact C-N 3.26Å; S402-L404 PolarHBondContact O-N 2.85Å; S402-S405 PolarHBondContact O-N 2.76Å
403	E	26.3	Very low	30.6	Very low	154 Å²	154	110.9 Å²	110.9	72%	0.72	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-73	-18.4	178.8	-63.8	-125.7	147.2	0	0	112.9	S405	E403-S405 VanDerWaalsContact C-N 3.29Å; E403-S405 PolarHBondContact O-N 3.28Å
404	L	33.3	Very low	31.8	Very low	87 Å²	87	106.6 Å²	106.6	46%	0.455	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-80.2	-7.6	179.6	-65.6	173.7	0	0	0	113.9	E401 S402	E401-L404 PolarHBondContact O-N 3.34Å; S402-L404 VanDerWaalsContact C-N 3.26Å; S402-L404 PolarHBondContact O-N 2.85Å
405	S	32.7	Very low	32.7	Very low	93 Å²	93	103 Å²	103	65%	0.65	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-85.6	-23.4	178.3	-177.1	0	0	0	0	112.9	S402 E403 N407	S402-S405 PolarHBondContact O-N 2.76Å; E403-S405 VanDerWaalsContact C-N 3.29Å; E403-S405 PolarHBondContact O-N 3.28Å; S405-N407 VanDerWaalsContact C-N 3.31Å; S405-N407 PolarHBondContact O-N 3.28Å
406	G	25.6	Very low	34.1	Very low	48 Å²	48	95 Å²	95	50%	0.495	53%	0.531	S	S	.	.			trans	-75.3	70.1	-179.7	0	0	0	0	0	113.6	S408	G406-S408 PolarHBondContact O-N 3.07Å
407	N	30.6	Very low	35.2	Very low	128 Å²	128	92 Å²	92	68%	0.684	52%	0.52	S	S	*	.			trans	-68.3	75.9	164.9	-100	36.6	0	0	0	109.9	S405	S405-N407 VanDerWaalsContact C-N 3.31Å; S405-N407 PolarHBondContact O-N 3.28Å
408	S	29.3	Very low	36.4	Very low	94 Å²	94	90 Å²	90	66%	0.657	50%	0.499	S	S	*	.	S	Bend	trans	-86.9	158.2	142.8	59.3	0	0	0	0	107.5	G406 I410	G406-S408 PolarHBondContact O-N 3.07Å; S408-I410 WeakPolarHBondContact O-CG1 3.13Å; S408-I410 PolarHBondContact O-N 3.11Å
409	D	31.6	Very low	37.7	Very low	112 Å²	112	85.4 Å²	85.4	60%	0.599	48%	0.475	S	S	*	.			trans	-59.6	88.1	178	-68.7	-41.3	0	0	0	108.5	E411 K487	D409-E411 PolarHBondContact O-N 3.45Å; D409-K487 IonicContact OD2-NZ 3.37Å; D409-K487 PolarHBondContact OD2-NZ 2.92Å
410	I	35.4	Very low	39.2	Very low	69 Å²	69	79.2 Å²	79.2	35%	0.354	45%	0.449	S	S	.	.			trans	-62.7	112.6	-175.8	-53.9	-178.5	0	0	0	107.1	S408 S414 I415	S408-I410 WeakPolarHBondContact O-CG1 3.13Å; S408-I410 PolarHBondContact O-N 3.11Å; I410-S414 VanDerWaalsContact CG2-CB 3.46Å; I410-S414 VanDerWaalsContact CG2-OG 3.28Å; I410-S414 WeakPolarHBondContact CG2-OG 3.48Å; I410-I415 HydrophobicContact CB-CD1 4.44Å; I410-I415 HydrophobicContact CB-CG1 3.97Å; I410-I415 HydrophobicContact CG2-CB 4.5Å; I410-I415 HydrophobicContact CG2-CD1 4.42Å; I410-I415 HydrophobicContact CG2-CG1 3.47Å; I410-I415 VanDerWaalsContact CG2-CG1 3.47Å
411	E	40.4	Very low	40.4	Very low	144 Å²	144	78.6 Å²	78.6	67%	0.673	44%	0.443	S	S	*	.			trans	-58.1	153.7	175.6	-70.5	-176.6	171.1	0	0	110.7	D409 T413 S414 I415	D409-E411 PolarHBondContact O-N 3.45Å; E411-T413 PolarHBondContact O-N 2.95Å; E411-T413 VanDerWaalsContact O-N 3.1Å; E411-S414 PolarHBondContact O-N 3.3Å; E411-I415 PolarHBondContact O-N 3.43Å; E411-I415 VanDerWaalsContact O-N 3.16Å
412	Y	44.2	Very low	41.7	Very low	111 Å²	111	74.8 Å²	74.8	44%	0.435	43%	0.427	S	S	.	.	H	α-helix	trans	-46.7	-41.7	178.4	-175.5	-96.9	0	0	0	113.1	A416 E862	Y412-A416 PolarHBondContact O-N 3.27Å; Y412-E862 WeakPolarHBondContact OH-CB 3.4Å; Y412-E862 WeakPolarHBondContact OH-CG 3.43Å; Y412-E862 PolarHBondContact OH-OE1 2.89Å; Y412-E862 VanDerWaalsContact OH-OE1 3.09Å; Y412-E862 PolarHBondContact OH-OE2 3.38Å
413	T	42.3	Very low	43.1	Very low	81 Å²	81	72.2 Å²	72.2	50%	0.497	41%	0.408	S	S	.	.	H	α-helix	trans	-63.9	-40.9	178.6	50.8	0	0	0	0	113	E411 A416 S417	E411-T413 PolarHBondContact O-N 2.95Å; E411-T413 VanDerWaalsContact O-N 3.1Å; T413-A416 PolarHBondContact O-N 3.18Å; T413-S417 PolarHBondContact O-N 3.16Å; T413-S417 VanDerWaalsContact O-N 3.11Å; T413-S417 PolarHBondContact O-OG 3.35Å
414	S	45.8	Very low	44.4	Very low	57 Å²	57	64.9 Å²	64.9	40%	0.399	37%	0.374	S	S	.	.	H	α-helix	trans	-76.3	-29.5	-178.5	173.8	0	0	0	0	112.7	I410 E411 S417 H418	I410-S414 VanDerWaalsContact CG2-CB 3.46Å; I410-S414 VanDerWaalsContact CG2-OG 3.28Å; I410-S414 WeakPolarHBondContact CG2-OG 3.48Å; E411-S414 PolarHBondContact O-N 3.3Å; S414-S417 WeakPolarHBondContact CA-OG 3.29Å; S414-S417 PolarHBondContact O-OG 2.87Å; S414-S417 VanDerWaalsContact O-OG 3.1Å; S414-H418 VanDerWaalsContact O-CB 3.29Å; S414-H418 WeakPolarHBondContact O-CB 3.41Å; S414-H418 PolarHBondContact O-N 2.61Å; S414-H418 VanDerWaalsContact O-N 3.09Å
415	I	47.8	Very low	45.7	Very low	17 Å²	17	61.4 Å²	61.4	9%	0.087	36%	0.357	C	S	.	.	H	α-helix	trans	-66.7	-48.8	171.1	-62.1	174.5	0	0	0	109.7	I410 E411 S417 H418 T419 K858 V860	I410-I415 HydrophobicContact CB-CD1 4.44Å; I410-I415 HydrophobicContact CB-CG1 3.97Å; I410-I415 HydrophobicContact CG2-CB 4.5Å; I410-I415 HydrophobicContact CG2-CD1 4.42Å; I410-I415 HydrophobicContact CG2-CG1 3.47Å; I410-I415 VanDerWaalsContact CG2-CG1 3.47Å; E411-I415 PolarHBondContact O-N 3.43Å; E411-I415 VanDerWaalsContact O-N 3.16Å; I415-S417 PolarHBondContact O-N 2.85Å; I415-H418 PolarHBondContact O-N 2.78Å; I415-T419 HydrophobicContact CG2-CG2 4.28Å; I415-T419 WeakPolarHBondContact O-CB 3.35Å; I415-T419 WeakPolarHBondContact O-CG2 3.43Å; I415-T419 PolarHBondContact O-N 2.85Å; I415-T419 PolarHBondContact O-OG1 3.16Å; I415-K858 HydrophobicContact CD1-CD 4.37Å; I415-K858 HydrophobicContact CG2-CD 4.48Å; I415-V860 HydrophobicContact CD1-CG2 3.97Å; I415-V860 HydrophobicContact CG2-CG2 4.33Å
416	A	52.9	Low	46.5	Very low	35 Å²	35	58.5 Å²	58.5	29%	0.289	34%	0.337	S	S	.	.	H	α-helix	trans	-58.3	-48.1	-178.7	0	0	0	0	0	111.7	Y412 T413 T419 A420	Y412-A416 PolarHBondContact O-N 3.27Å; T413-A416 PolarHBondContact O-N 3.18Å; A416-T419 WeakPolarHBondContact CA-OG1 3.28Å; A416-T419 PolarHBondContact O-N 2.88Å; A416-T419 PolarHBondContact O-OG1 3.28Å; A416-A420 WeakPolarHBondContact O-CB 3.5Å; A416-A420 PolarHBondContact O-N 2.78Å
417	S	53.1	Low	47.8	Very low	55 Å²	55	59.2 Å²	59.2	39%	0.385	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-48.7	177.4	60.7	0	0	0	0	112.4	T413 S414 I415 T419 A420 H421	T413-S417 PolarHBondContact O-N 3.16Å; T413-S417 VanDerWaalsContact O-N 3.11Å; T413-S417 PolarHBondContact O-OG 3.35Å; S414-S417 WeakPolarHBondContact CA-OG 3.29Å; S414-S417 PolarHBondContact O-OG 2.87Å; S414-S417 VanDerWaalsContact O-OG 3.1Å; I415-S417 PolarHBondContact O-N 2.85Å; S417-T419 VanDerWaalsContact C-N 3.3Å; S417-T419 PolarHBondContact O-N 3.47Å; S417-A420 WeakPolarHBondContact O-CB 3.33Å; S417-A420 PolarHBondContact O-N 3.47Å; S417-A420 VanDerWaalsContact O-N 3.14Å; S417-H421 PolarHBondContact O-CD2 2.74Å; S417-H421 PolarHBondContact O-N 3.12Å
418	H	50.4	Low	49	Very low	66 Å²	66	56.2 Å²	56.2	31%	0.306	33%	0.325	S	S	.	.	H	α-helix	trans	-59.5	-43.3	177.1	-176.4	-32.7	0	0	0	111.1	S414 I415 A420 H421 T422	S414-H418 VanDerWaalsContact O-CB 3.29Å; S414-H418 WeakPolarHBondContact O-CB 3.41Å; S414-H418 PolarHBondContact O-N 2.61Å; S414-H418 VanDerWaalsContact O-N 3.09Å; I415-H418 PolarHBondContact O-N 2.78Å; H418-A420 VanDerWaalsContact C-N 3.33Å; H418-A420 PolarHBondContact O-N 2.87Å; H418-H421 PolarHBondContact O-N 3.42Å; H418-T422 PolarHBondContact O-N 2.81Å; H418-T422 VanDerWaalsContact O-N 3.09Å; H418-T422 PolarHBondContact O-OG1 2.83Å
419	T	54.7	Low	50.1	Low	4 Å²	4	52.9 Å²	52.9	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-38.4	178	48.2	0	0	0	0	111.9	I415 A416 S417 T422 M423 L683	I415-T419 HydrophobicContact CG2-CG2 4.28Å; I415-T419 WeakPolarHBondContact O-CB 3.35Å; I415-T419 WeakPolarHBondContact O-CG2 3.43Å; I415-T419 PolarHBondContact O-N 2.85Å; I415-T419 PolarHBondContact O-OG1 3.16Å; A416-T419 WeakPolarHBondContact CA-OG1 3.28Å; A416-T419 PolarHBondContact O-N 2.88Å; A416-T419 PolarHBondContact O-OG1 3.28Å; S417-T419 VanDerWaalsContact C-N 3.3Å; S417-T419 PolarHBondContact O-N 3.47Å; T419-T422 WeakPolarHBondContact CA-OG1 3.14Å; T419-T422 PolarHBondContact O-N 3.38Å; T419-T422 VanDerWaalsContact O-N 3.17Å; T419-T422 PolarHBondContact O-OG1 2.85Å; T419-M423 HydrophobicContact CG2-CE 4.43Å; T419-M423 VanDerWaalsContact O-CB 3.3Å; T419-M423 WeakPolarHBondContact O-CB 3.45Å; T419-M423 WeakPolarHBondContact O-CG 3.4Å; T419-M423 PolarHBondContact O-N 2.81Å; T419-L683 HydrophobicContact CG2-CG 4.02Å; T419-L683 WeakPolarHBondContact OG1-CD1 3.4Å; T419-L683 WeakPolarHBondContact OG1-CG 3.49Å
420	A	58.7	Low	51.4	Low	16 Å²	16	49.3 Å²	49.3	13%	0.132	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-48.6	175.3	0	0	0	0	0	111.5	A416 S417 H418 T422 M423 A424 V744 L752	A416-A420 WeakPolarHBondContact O-CB 3.5Å; A416-A420 PolarHBondContact O-N 2.78Å; S417-A420 WeakPolarHBondContact O-CB 3.33Å; S417-A420 PolarHBondContact O-N 3.47Å; S417-A420 VanDerWaalsContact O-N 3.14Å; H418-A420 VanDerWaalsContact C-N 3.33Å; H418-A420 PolarHBondContact O-N 2.87Å; A420-T422 VanDerWaalsContact C-N 3.29Å; A420-T422 PolarHBondContact O-N 3.32Å; A420-M423 PolarHBondContact O-N 2.91Å; A420-M423 VanDerWaalsContact O-N 3.1Å; A420-A424 PolarHBondContact O-N 3.49Å; A420-V744 HydrophobicContact CB-CG1 4.39Å; A420-V744 HydrophobicContact CB-CG2 3.87Å; A420-L752 HydrophobicContact CB-CD1 4.02Å
421	H	56.2	Low	52.6	Low	106 Å²	106	46.3 Å²	46.3	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-35.3	175	-69.1	-64.9	0	0	0	113.2	S417 H418 A434 L752	S417-H421 PolarHBondContact O-CD2 2.74Å; S417-H421 PolarHBondContact O-N 3.12Å; H418-H421 PolarHBondContact O-N 3.42Å; H421-A434 VanDerWaalsContact O-CB 3.24Å; H421-A434 WeakPolarHBondContact O-CB 3.07Å; H421-L752 VanDerWaalsContact CE1-CD1 3.41Å; H421-L752 WeakPolarHBondContact CE1-CD1 3.32Å; H421-L752 WeakPolarHBondContact ND1-CD1 3.39Å
422	T	54.9	Low	53.9	Low	27 Å²	27	39.6 Å²	39.6	17%	0.166	24%	0.237	C	C	.	.	H	α-helix	trans	-81.4	-15.3	177.4	54.1	0	0	0	0	114.5	H418 T419 A420	H418-T422 PolarHBondContact O-N 2.81Å; H418-T422 VanDerWaalsContact O-N 3.09Å; H418-T422 PolarHBondContact O-OG1 2.83Å; T419-T422 WeakPolarHBondContact CA-OG1 3.14Å; T419-T422 PolarHBondContact O-N 3.38Å; T419-T422 VanDerWaalsContact O-N 3.17Å; T419-T422 PolarHBondContact O-OG1 2.85Å; A420-T422 VanDerWaalsContact C-N 3.29Å; A420-T422 PolarHBondContact O-N 3.32Å
423	M	58.4	Low	55	Low	12 Å²	12	39.1 Å²	39.1	6%	0.059	25%	0.25	C	S	.	.	H	α-helix	trans	-101.1	-12.1	-179.6	-73.6	172.5	-172.8	0	0	113.3	T419 A420 A425 D682 L683 I742	T419-M423 HydrophobicContact CG2-CE 4.43Å; T419-M423 VanDerWaalsContact O-CB 3.3Å; T419-M423 WeakPolarHBondContact O-CB 3.45Å; T419-M423 WeakPolarHBondContact O-CG 3.4Å; T419-M423 PolarHBondContact O-N 2.81Å; A420-M423 PolarHBondContact O-N 2.91Å; A420-M423 VanDerWaalsContact O-N 3.1Å; M423-A425 PolarHBondContact O-N 2.75Å; M423-D682 HydrophobicContact CE-CB 3.62Å; M423-L683 HydrophobicContact CE-CB 3.8Å; M423-L683 WeakPolarHBondContact CE-O 3.25Å; M423-I742 HydrophobicContact SD-CB 4.42Å; M423-I742 HydrophobicContact SD-CG2 4.47Å
424	A	55	Low	56.3	Low	1 Å²	1	36.5 Å²	36.5	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	120.9	-176.6	0	0	0	0	0	111.2	A420 S432 V744 E746 L752	A420-A424 PolarHBondContact O-N 3.49Å; A424-S432 WeakPolarHBondContact O-CB 3.47Å; A424-S432 PolarHBondContact O-OG 3.05Å; A424-V744 CarbonylContact C-O 3.58Å; A424-V744 VanDerWaalsContact CA-O 3.25Å; A424-V744 WeakPolarHBondContact CA-O 3.18Å; A424-E746 HydrophobicContact CB-CG 3.49Å; A424-E746 VanDerWaalsContact CB-CG 3.49Å; A424-E746 WeakPolarHBondContact CB-OE1 3.32Å; A424-L752 HydrophobicContact CB-CD2 3.78Å
425	A	59.4	Low	57.6	Low	13 Å²	13	34.5 Å²	34.5	11%	0.107	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.3	168	0	0	0	0	0	108.1	M423 V744 T745 E746	M423-A425 PolarHBondContact O-N 2.75Å; A425-V744 PolarHBondContact N-O 3.07Å; A425-T745 CarbonylContact O-C 3.35Å; A425-T745 WeakPolarHBondContact O-CA 3.48Å; A425-E746 PolarHBondContact O-N 3.45Å
426	S	50.5	Low	58.7	Low	32 Å²	32	35.1 Å²	35.1	22%	0.224	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	141.5	178.7	-53.9	0	0	0	0	111	S429 S432	S426-S429 WeakPolarHBondContact CB-O 3.45Å; S426-S429 WeakPolarHBondContact CB-OG 3.46Å; S426-S429 PolarHBondContact OG-OG 2.74Å; S426-S432 WeakPolarHBondContact OG-CA 3.46Å; S426-S432 WeakPolarHBondContact OG-CB 3.07Å; S426-S432 PolarHBondContact OG-N 3.33Å
427	A	52.6	Low	59.8	Low	64 Å²	64	35.4 Å²	35.4	53%	0.529	23%	0.226	S	C	.	.	S	Bend	trans	-72.6	-34.4	169.2	0	0	0	0	0	112.4	E746	A427-E746 VanDerWaalsContact CB-O 3.3Å; A427-E746 WeakPolarHBondContact CB-O 3.33Å; A427-E746 PolarHBondContact N-O 2.74Å
428	T	55.8	Low	61.1	Low	65 Å²	65	33.5 Å²	33.5	40%	0.399	21%	0.211	S	C	.	.	S	Bend	trans	-102.4	-29.2	-172.2	-46.4	0	0	0	0	113.1	E748	T428-E748 WeakPolarHBondContact OG1-CG 3.39Å; T428-E748 PolarHBondContact OG1-OE1 2.83Å
429	S	52.9	Low	62.5	Low	23 Å²	23	30.5 Å²	30.5	16%	0.161	20%	0.197	C	C	.	.	S	Bend	trans	-102.5	152.3	-174.6	105.6	0	0	0	0	111	S426 F431 D641	S426-S429 WeakPolarHBondContact CB-O 3.45Å; S426-S429 WeakPolarHBondContact CB-OG 3.46Å; S426-S429 PolarHBondContact OG-OG 2.74Å; S429-F431 VanDerWaalsContact C-N 3.33Å; S429-F431 PolarHBondContact OG-O 2.77Å; S429-D641 VanDerWaalsContact C-OD2 3.31Å; S429-D641 WeakPolarHBondContact CA-OD2 3.11Å; S429-D641 WeakPolarHBondContact CB-OD2 3.36Å; S429-D641 PolarHBondContact OG-OD2 3.01Å
430	T	57.2	Low	63.8	Low	37 Å²	37	34.5 Å²	34.5	23%	0.227	21%	0.212	C	C	.	.	S	Bend	trans	-73.4	-28	177.8	60.7	0	0	0	0	112	Q435 D641 P670	T430-Q435 PolarHBondContact O-NE2 2.88Å; T430-D641 HydrophobicContact CG2-CB 4.21Å; T430-D641 PolarHBondContact N-OD2 2.84Å; T430-D641 WeakPolarHBondContact OG1-CA 3.4Å; T430-D641 WeakPolarHBondContact OG1-CB 3.35Å; T430-D641 PolarHBondContact OG1-O 3.3Å; T430-D641 PolarHBondContact OG1-OD1 3.39Å; T430-D641 PolarHBondContact OG1-OD2 2.83Å; T430-P670 VanDerWaalsContact CB-CB 3.44Å; T430-P670 HydrophobicContact CG2-CB 3.72Å
431	F	61.4	Low	64.9	Low	6 Å²	6	35.9 Å²	35.9	3%	0.026	22%	0.223	C	C	.	.	S	Bend	trans	-132.6	124.9	172.7	-58.3	-103.1	0	0	0	112.7	S429 Q435 L436 F439 I609 I644 I671	S429-F431 VanDerWaalsContact C-N 3.33Å; S429-F431 PolarHBondContact OG-O 2.77Å; F431-Q435 HydrophobicContact CD1-CG 4.47Å; F431-Q435 VanDerWaalsContact CD1-NE2 3.28Å; F431-L436 HydrophobicContact CB-CD1 4.08Å; F431-L436 HydrophobicContact CB-CD2 3.69Å; F431-L436 HydrophobicContact CB-CG 3.61Å; F431-L436 HydrophobicContact CD1-CD2 3.56Å; F431-L436 HydrophobicContact CD1-CG 4.29Å; F431-L436 HydrophobicContact CD2-CD2 4.39Å; F431-L436 HydrophobicContact CE1-CD2 4.27Å; F431-L436 HydrophobicContact CG-CD2 3.66Å; F431-L436 HydrophobicContact CG-CG 4.17Å; F431-F439 HydrophobicContact CD1-CD2 4.48Å; F431-F439 HydrophobicContact CD1-CE2 4.38Å; F431-F439 HydrophobicContact CE1-CD2 4.46Å; F431-F439 HydrophobicContact CE1-CE2 4.21Å; F431-I609 HydrophobicContact CE1-CD1 4.39Å; F431-I609 HydrophobicContact CE1-CG2 3.73Å; F431-I609 HydrophobicContact CZ-CD1 4.47Å; F431-I609 HydrophobicContact CZ-CG1 4.35Å; F431-I609 HydrophobicContact CZ-CG2 4.11Å; F431-I644 HydrophobicContact CD2-CB 4.36Å; F431-I644 HydrophobicContact CD2-CD1 4.14Å; F431-I644 HydrophobicContact CD2-CG2 4.19Å; F431-I644 HydrophobicContact CE1-CG2 4.3Å; F431-I644 HydrophobicContact CE2-CB 3.73Å; F431-I644 HydrophobicContact CE2-CD1 4.3Å; F431-I644 HydrophobicContact CE2-CG2 3.31Å; F431-I644 HydrophobicContact CZ-CB 4.33Å; F431-I644 HydrophobicContact CZ-CG2 3.4Å; F431-I644 VanDerWaalsContact CZ-CG2 3.4Å; F431-I671 HydrophobicContact CD1-CD1 3.71Å; F431-I671 HydrophobicContact CE1-CD1 3.1Å; F431-I671 HydrophobicContact CE1-CG1 3.77Å; F431-I671 HydrophobicContact CZ-CD1 3.64Å; F431-I671 HydrophobicContact CZ-CG1 3.73Å
432	S	67.9	Low	66.3	Low	4 Å²	4	31.3 Å²	31.3	3%	0.028	20%	0.204	C	C	.	.			trans	-69.1	152.8	163.1	172.3	0	0	0	0	110.4	A424 S426 A434 Q435 L436 E746	A424-S432 WeakPolarHBondContact O-CB 3.47Å; A424-S432 PolarHBondContact O-OG 3.05Å; S426-S432 WeakPolarHBondContact OG-CA 3.46Å; S426-S432 WeakPolarHBondContact OG-CB 3.07Å; S426-S432 PolarHBondContact OG-N 3.33Å; S432-A434 PolarHBondContact O-N 3.31Å; S432-A434 PolarHBondContact OG-N 3.12Å; S432-Q435 WeakPolarHBondContact O-CA 3.42Å; S432-Q435 WeakPolarHBondContact O-CB 3.47Å; S432-Q435 PolarHBondContact O-N 2.87Å; S432-L436 PolarHBondContact O-N 3.31Å; S432-E746 PolarHBondContact OG-OE2 2.75Å
433	S	66.6	Low	67.5	Low	101 Å²	101	31.7 Å²	31.7	71%	0.706	20%	0.202	S	C	*	.	H	α-helix	trans	-52	-41.6	171.9	-179.1	0	0	0	0	111.8	Q435 L436 A437	S433-Q435 PolarHBondContact O-N 3.16Å; S433-L436 PolarHBondContact O-N 3.5Å; S433-A437 WeakPolarHBondContact O-CB 3.27Å; S433-A437 PolarHBondContact O-N 2.88Å
434	A	70	Confident	68.7	Low	25 Å²	25	35 Å²	35	21%	0.207	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-41	176.9	0	0	0	0	0	112	H421 S432 A437 K438	H421-A434 VanDerWaalsContact O-CB 3.24Å; H421-A434 WeakPolarHBondContact O-CB 3.07Å; S432-A434 PolarHBondContact O-N 3.31Å; S432-A434 PolarHBondContact OG-N 3.12Å; A434-A437 PolarHBondContact O-N 3.44Å; A434-K438 PolarHBondContact O-N 2.84Å
435	Q	73	Confident	70.2	Confident	15 Å²	15	37.3 Å²	37.3	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-49.2	176.6	-171.7	176.1	-80.6	0	0	110.9	T430 F431 S432 S433 A437 K438 F439	T430-Q435 PolarHBondContact O-NE2 2.88Å; F431-Q435 HydrophobicContact CD1-CG 4.47Å; F431-Q435 VanDerWaalsContact CD1-NE2 3.28Å; S432-Q435 WeakPolarHBondContact O-CA 3.42Å; S432-Q435 WeakPolarHBondContact O-CB 3.47Å; S432-Q435 PolarHBondContact O-N 2.87Å; S433-Q435 PolarHBondContact O-N 3.16Å; Q435-A437 VanDerWaalsContact C-N 3.34Å; Q435-A437 PolarHBondContact O-N 3.3Å; Q435-K438 WeakPolarHBondContact O-CA 3.37Å; Q435-K438 VanDerWaalsContact O-CB 3.26Å; Q435-K438 WeakPolarHBondContact O-CB 3.44Å; Q435-K438 PolarHBondContact O-N 2.89Å; Q435-F439 HydrophobicContact CG-CD2 3.99Å; Q435-F439 HydrophobicContact CG-CE2 3.68Å; Q435-F439 VanDerWaalsContact O-CD2 3.22Å; Q435-F439 WeakPolarHBondContact O-CD2 3.46Å; Q435-F439 PolarHBondContact O-N 2.91Å
436	L	70.9	Confident	71.4	Confident	31 Å²	31	40.9 Å²	40.9	16%	0.162	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-42.8	176.4	-71.1	173.7	0	0	0	112.3	F431 S432 S433 K438 F439 R440 A613 I644	F431-L436 HydrophobicContact CB-CD1 4.08Å; F431-L436 HydrophobicContact CB-CD2 3.69Å; F431-L436 HydrophobicContact CB-CG 3.61Å; F431-L436 HydrophobicContact CD1-CD2 3.56Å; F431-L436 HydrophobicContact CD1-CG 4.29Å; F431-L436 HydrophobicContact CD2-CD2 4.39Å; F431-L436 HydrophobicContact CE1-CD2 4.27Å; F431-L436 HydrophobicContact CG-CD2 3.66Å; F431-L436 HydrophobicContact CG-CG 4.17Å; S432-L436 PolarHBondContact O-N 3.31Å; S433-L436 PolarHBondContact O-N 3.5Å; L436-K438 VanDerWaalsContact C-N 3.26Å; L436-K438 PolarHBondContact O-N 3.12Å; L436-F439 PolarHBondContact O-N 3.1Å; L436-R440 WeakPolarHBondContact O-CG 3.46Å; L436-R440 PolarHBondContact O-N 2.84Å; L436-A613 HydrophobicContact CD2-CB 4.27Å; L436-I644 HydrophobicContact CD2-CD1 4.07Å
437	A	75.5	Confident	72.8	Confident	40 Å²	40	44.2 Å²	44.2	33%	0.331	26%	0.257	S	S	.	.	H	α-helix	trans	-60.1	-38	175.3	0	0	0	0	0	111.6	S433 A434 Q435 R440 A441	S433-A437 WeakPolarHBondContact O-CB 3.27Å; S433-A437 PolarHBondContact O-N 2.88Å; A434-A437 PolarHBondContact O-N 3.44Å; Q435-A437 VanDerWaalsContact C-N 3.34Å; Q435-A437 PolarHBondContact O-N 3.3Å; A437-R440 PolarHBondContact O-N 2.87Å; A437-A441 WeakPolarHBondContact O-CB 3.29Å; A437-A441 PolarHBondContact O-N 3.05Å
438	K	81.3	Confident	74.3	Confident	16 Å²	16	45.2 Å²	45.2	7%	0.07	25%	0.25	C	C	.	.	H	α-helix	trans	-64.8	-42.9	174.7	-159	-174.2	-165.9	177.1	0	112.3	A434 Q435 L436 A441 A442 P677 D682 F714	A434-K438 PolarHBondContact O-N 2.84Å; Q435-K438 WeakPolarHBondContact O-CA 3.37Å; Q435-K438 VanDerWaalsContact O-CB 3.26Å; Q435-K438 WeakPolarHBondContact O-CB 3.44Å; Q435-K438 PolarHBondContact O-N 2.89Å; L436-K438 VanDerWaalsContact C-N 3.26Å; L436-K438 PolarHBondContact O-N 3.12Å; K438-A441 PolarHBondContact O-N 3.24Å; K438-A442 WeakPolarHBondContact O-CB 3.25Å; K438-A442 PolarHBondContact O-N 2.98Å; K438-P677 HydrophobicContact CD-CG 4.16Å; K438-P677 WeakPolarHBondContact CD-O 3.01Å; K438-P677 WeakPolarHBondContact CE-O 3.31Å; K438-P677 HydrophobicContact CG-CG 3.95Å; K438-P677 PolarHBondContact NZ-O 3.25Å; K438-D682 WeakPolarHBondContact CE-OD2 3.4Å; K438-D682 IonicContact NZ-OD2 3.49Å; K438-D682 PolarHBondContact NZ-OD2 2.83Å; K438-F714 HydrophobicContact CG-CE1 4.17Å
439	F	79.4	Confident	75.7	Confident	3 Å²	3	45.2 Å²	45.2	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-46.7	173.4	-81.3	-83.8	0	0	0	111.2	F431 Q435 L436 A441 A442 R443 L606 I609 I671 E676 P677	F431-F439 HydrophobicContact CD1-CD2 4.48Å; F431-F439 HydrophobicContact CD1-CE2 4.38Å; F431-F439 HydrophobicContact CE1-CD2 4.46Å; F431-F439 HydrophobicContact CE1-CE2 4.21Å; Q435-F439 HydrophobicContact CG-CD2 3.99Å; Q435-F439 HydrophobicContact CG-CE2 3.68Å; Q435-F439 VanDerWaalsContact O-CD2 3.22Å; Q435-F439 WeakPolarHBondContact O-CD2 3.46Å; Q435-F439 PolarHBondContact O-N 2.91Å; L436-F439 PolarHBondContact O-N 3.1Å; F439-A441 PolarHBondContact O-N 2.82Å; F439-A442 PolarHBondContact O-N 2.96Å; F439-R443 WeakPolarHBondContact O-CB 3.4Å; F439-R443 PolarHBondContact O-N 2.95Å; F439-L606 HydrophobicContact CB-CD1 4.05Å; F439-L606 HydrophobicContact CD1-CD1 3.54Å; F439-L606 HydrophobicContact CE1-CD1 4.48Å; F439-L606 HydrophobicContact CG-CD1 4.26Å; F439-L606 WeakPolarHBondContact O-CD1 2.96Å; F439-I609 HydrophobicContact CB-CG2 4.37Å; F439-I609 HydrophobicContact CD1-CD1 4.17Å; F439-I609 HydrophobicContact CD1-CG2 4.15Å; F439-I609 HydrophobicContact CE1-CD1 3.77Å; F439-I609 HydrophobicContact CG-CG2 4.14Å; F439-I609 HydrophobicContact CZ-CD1 4.25Å; F439-I671 HydrophobicContact CE2-CD1 3.66Å; F439-I671 HydrophobicContact CZ-CD1 3.6Å; F439-I671 HydrophobicContact CZ-CG2 4.45Å; F439-E676 HydrophobicContact CE2-CG 3.89Å; F439-E676 HydrophobicContact CZ-CB 4.15Å; F439-E676 HydrophobicContact CZ-CG 3.78Å; F439-P677 HydrophobicContact CD1-CG 4.4Å; F439-P677 HydrophobicContact CG-CG 4.5Å
440	R	81.2	Confident	77.4	Confident	87 Å²	87	44.5 Å²	44.5	33%	0.328	25%	0.245	S	C	.	.	H	α-helix	trans	-58.3	-47.3	176	-72.1	176.7	177	158.1	2.8	112	L436 A437 R443 M444 A613	L436-R440 WeakPolarHBondContact O-CG 3.46Å; L436-R440 PolarHBondContact O-N 2.84Å; A437-R440 PolarHBondContact O-N 2.87Å; R440-R443 PolarHBondContact O-N 3.16Å; R440-M444 WeakPolarHBondContact O-CG 3.39Å; R440-M444 PolarHBondContact O-N 3.25Å; R440-A613 PolarHBondContact NH2-O 3.48Å
441	A	82.4	Confident	78.9	Confident	45 Å²	45	45.6 Å²	45.6	37%	0.372	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-42.3	179.2	0	0	0	0	0	112.7	A437 K438 F439 R443 M444 E445 F714	A437-A441 WeakPolarHBondContact O-CB 3.29Å; A437-A441 PolarHBondContact O-N 3.05Å; K438-A441 PolarHBondContact O-N 3.24Å; F439-A441 PolarHBondContact O-N 2.82Å; A441-R443 VanDerWaalsContact C-N 3.29Å; A441-R443 PolarHBondContact O-N 3.1Å; A441-M444 PolarHBondContact O-N 3.36Å; A441-E445 PolarHBondContact O-N 3.21Å; A441-F714 HydrophobicContact CB-CZ 3.98Å
442	A	85	Confident	80.3	Confident	11 Å²	11	46.7 Å²	46.7	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-36.7	176.3	0	0	0	0	0	111.9	K438 F439 E446 L606 P677 F714	K438-A442 WeakPolarHBondContact O-CB 3.25Å; K438-A442 PolarHBondContact O-N 2.98Å; F439-A442 PolarHBondContact O-N 2.96Å; A442-E446 PolarHBondContact O-N 2.88Å; A442-E446 VanDerWaalsContact O-N 3.11Å; A442-L606 HydrophobicContact CB-CD1 4.2Å; A442-L606 HydrophobicContact CB-CD2 4.26Å; A442-P677 HydrophobicContact CB-CB 3.59Å; A442-P677 HydrophobicContact CB-CG 3.87Å; A442-F714 HydrophobicContact CB-CD1 4.23Å; A442-F714 HydrophobicContact CB-CD2 4.37Å; A442-F714 HydrophobicContact CB-CE1 4.02Å; A442-F714 HydrophobicContact CB-CE2 4.18Å; A442-F714 HydrophobicContact CB-CG 4.4Å; A442-F714 HydrophobicContact CB-CZ 4Å
443	R	82.1	Confident	81.2	Confident	35 Å²	35	53.9 Å²	53.9	13%	0.132	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-43.6	175.5	-176.8	170	175.5	176.8	-5.7	112.5	F439 R440 A441 E445 E446 M447 L606 I607 A610 N611	F439-R443 WeakPolarHBondContact O-CB 3.4Å; F439-R443 PolarHBondContact O-N 2.95Å; R440-R443 PolarHBondContact O-N 3.16Å; A441-R443 VanDerWaalsContact C-N 3.29Å; A441-R443 PolarHBondContact O-N 3.1Å; R443-E445 VanDerWaalsContact C-N 3.32Å; R443-E445 PolarHBondContact O-N 3.32Å; R443-E446 PolarHBondContact O-N 3.41Å; R443-M447 HydrophobicContact CG-CG 4.38Å; R443-M447 HydrophobicContact CG-SD 4Å; R443-M447 WeakPolarHBondContact O-CG 3.27Å; R443-M447 PolarHBondContact O-N 2.93Å; R443-L606 HydrophobicContact CB-CD1 4.18Å; R443-L606 HydrophobicContact CB-CD2 4.11Å; R443-L606 HydrophobicContact CB-CG 3.92Å; R443-I607 PolarHBondContact NH1-O 3.04Å; R443-A610 HydrophobicContact CB-CB 4.48Å; R443-A610 VanDerWaalsContact NH1-CB 3.31Å; R443-N611 VanDerWaalsContact NH1-CG 3.32Å; R443-N611 VanDerWaalsContact NH1-N 3.11Å; R443-N611 PolarHBondContact NH1-OD1 2.93Å; R443-N611 PolarHBondContact NH2-OD1 3.49Å
444	M	83.1	Confident	82.3	Confident	82 Å²	82	49.7 Å²	49.7	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-42.8	176.6	-74.1	-62.2	-67.2	0	0	111.2	I396 R440 A441 E446 M447 F448	I396-M444 HydrophobicContact CD1-CE 4.29Å; I396-M444 HydrophobicContact CD1-CG 4.45Å; I396-M444 HydrophobicContact CD1-SD 4.22Å; R440-M444 WeakPolarHBondContact O-CG 3.39Å; R440-M444 PolarHBondContact O-N 3.25Å; A441-M444 PolarHBondContact O-N 3.36Å; M444-E446 VanDerWaalsContact C-N 3.31Å; M444-E446 PolarHBondContact O-N 3.26Å; M444-M447 PolarHBondContact O-N 2.82Å; M444-F448 HydrophobicContact CE-CD2 3.85Å; M444-F448 HydrophobicContact CE-CE2 4.1Å; M444-F448 PolarHBondContact O-N 2.88Å; M444-F448 HydrophobicContact SD-CD2 4.31Å; M444-F448 HydrophobicContact SD-CE2 4.34Å
445	E	86.4	Confident	83.2	Confident	49 Å²	49	49.8 Å²	49.8	23%	0.229	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-37.6	175	-176.6	64.6	-144.4	0	0	112.3	A441 R443 F448 P449 D450 P713 F714	A441-E445 PolarHBondContact O-N 3.21Å; R443-E445 VanDerWaalsContact C-N 3.32Å; R443-E445 PolarHBondContact O-N 3.32Å; E445-F448 CarbonylContact O-C 3.56Å; E445-P449 WeakPolarHBondContact O-CA 3.42Å; E445-D450 PolarHBondContact OE1-N 3.35Å; E445-P713 HydrophobicContact CG-CG 4.37Å; E445-F714 HydrophobicContact CB-CD2 4.22Å; E445-F714 HydrophobicContact CB-CE2 4.23Å; E445-F714 HydrophobicContact CG-CD2 4.24Å
446	E	83.4	Confident	83.8	Confident	88 Å²	88	53 Å²	53	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-68.9	-42.2	175.8	176.9	166.1	-154.9	0	0	112.7	A442 R443 M444 V603	A442-E446 PolarHBondContact O-N 2.88Å; A442-E446 VanDerWaalsContact O-N 3.11Å; R443-E446 PolarHBondContact O-N 3.41Å; M444-E446 VanDerWaalsContact C-N 3.31Å; M444-E446 PolarHBondContact O-N 3.26Å; E446-V603 WeakPolarHBondContact OE1-CG1 3.3Å; E446-V603 WeakPolarHBondContact OE1-CG2 3.22Å
447	M	81	Confident	84.7	Confident	102 Å²	102	58.8 Å²	58.8	50%	0.502	31%	0.31	S	S	.	.	H	α-helix	trans	-71.6	-37.4	179.9	-71.5	-179.8	62.3	0	0	112.5	R443 M444	R443-M447 HydrophobicContact CG-CG 4.38Å; R443-M447 HydrophobicContact CG-SD 4Å; R443-M447 WeakPolarHBondContact O-CG 3.27Å; R443-M447 PolarHBondContact O-N 2.93Å; M444-M447 PolarHBondContact O-N 2.82Å
448	F	84	Confident	85.4	Confident	85 Å²	85	59.8 Å²	59.8	37%	0.373	31%	0.312	S	S	.	.	S	Bend	trans	-133.1	67.3	-172.2	-55.3	-77.7	0	0	0	110.6	M444 E445 D450 E451	M444-F448 HydrophobicContact CE-CD2 3.85Å; M444-F448 HydrophobicContact CE-CE2 4.1Å; M444-F448 PolarHBondContact O-N 2.88Å; M444-F448 HydrophobicContact SD-CD2 4.31Å; M444-F448 HydrophobicContact SD-CE2 4.34Å; E445-F448 CarbonylContact O-C 3.56Å; F448-D450 PolarHBondContact O-N 2.83Å; F448-E451 HydrophobicContact CB-CB 4.07Å; F448-E451 HydrophobicContact CB-CG 4.39Å; F448-E451 PolarHBondContact O-N 3.18Å; F448-E451 VanDerWaalsContact O-N 3.14Å
449	P	84.2	Confident	85.9	Confident	65 Å²	65	60.8 Å²	60.8	42%	0.422	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	129	-172	25.9	-35.2	0	0	0	111.5	E445 E451	E445-P449 WeakPolarHBondContact O-CA 3.42Å; P449-E451 PolarHBondContact O-N 2.61Å
450	D	89.2	Confident	86.4	Confident	7 Å²	7	60.8 Å²	60.8	4%	0.037	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	-1.3	-176.2	-46	-51.4	0	0	0	115.3	E445 F448 K710 R778 I779 F780	E445-D450 PolarHBondContact OE1-N 3.35Å; F448-D450 PolarHBondContact O-N 2.83Å; D450-K710 WeakPolarHBondContact OD1-CE 3.03Å; D450-K710 IonicContact OD1-NZ 3Å; D450-K710 PolarHBondContact OD1-NZ 2.99Å; D450-K710 WeakPolarHBondContact OD2-CE 3.25Å; D450-K710 IonicContact OD2-NZ 3.02Å; D450-K710 PolarHBondContact OD2-NZ 2.98Å; D450-R778 IonicContact OD2-CZ 2.95Å; D450-R778 IonicContact OD2-NE 2.63Å; D450-R778 PolarHBondContact OD2-NE 3.2Å; D450-R778 IonicContact OD2-NH2 2.65Å; D450-R778 PolarHBondContact OD2-NH2 3.37Å; D450-I779 CarbonylContact O-C 3.6Å; D450-I779 WeakPolarHBondContact O-CA 3.38Å; D450-F780 HydrophobicContact CB-CD2 3.75Å; D450-F780 HydrophobicContact CB-CE2 4.05Å; D450-F780 PolarHBondContact O-N 3.35Å
451	E	90	Very high	86.9	Confident	60 Å²	60	58 Å²	58	28%	0.28	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.1	-178.9	-62.1	-171.9	-163.7	0	0	110.6	F448 P449 F780	F448-E451 HydrophobicContact CB-CB 4.07Å; F448-E451 HydrophobicContact CB-CG 4.39Å; F448-E451 PolarHBondContact O-N 3.18Å; F448-E451 VanDerWaalsContact O-N 3.14Å; P449-E451 PolarHBondContact O-N 2.61Å; E451-F780 HydrophobicContact CG-CB 4.38Å
452	V	89.5	Confident	87.3	Confident	29 Å²	29	62.3 Å²	62.3	18%	0.176	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.7	-179.1	177.8	0	0	0	0	108.9	F464 I779 F780 L781	V452-F464 HydrophobicContact CG1-CE1 4.14Å; V452-F464 HydrophobicContact CG1-CZ 4.09Å; V452-I779 HydrophobicContact CB-CB 4.48Å; V452-I779 HydrophobicContact CG2-CB 3.93Å; V452-I779 HydrophobicContact CG2-CG2 3.8Å; V452-F780 PolarHBondContact N-O 3.37Å; V452-L781 HydrophobicContact CB-CD2 4.44Å
453	E	86.7	Confident	87.6	Confident	156 Å²	156	65.5 Å²	65.5	73%	0.729	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-73.5	149.7	175.5	-61.2	-168.4	165.8	0	0	111.2	R463	E453-R463 PolarHBondContact O-NH1 3.4Å
454	T	90.6	Very high	88.1	Confident	13 Å²	13	64.1 Å²	64.1	8%	0.08	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-94.6	126.2	173	61.4	0	0	0	0	109.4	F464 L781 M798 H800	T454-F464 HydrophobicContact CG2-CE2 3.85Å; T454-F464 HydrophobicContact CG2-CZ 4.42Å; T454-L781 HydrophobicContact CG2-CB 4.33Å; T454-L781 HydrophobicContact CG2-CD1 3.76Å; T454-L781 HydrophobicContact CG2-CD2 4.05Å; T454-L781 HydrophobicContact CG2-CG 4.26Å; T454-M798 WeakPolarHBondContact CG2-O 3.48Å; T454-M798 PolarHBondContact OG1-O 2.79Å; T454-M798 VanDerWaalsContact OG1-O 3.06Å; T454-H800 PolarHBondContact O-CE1 2.89Å
455	P	88.8	Confident	88.4	Confident	27 Å²	27	65 Å²	65	18%	0.175	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-70	148.2	-178	-6.7	25.9	0	0	0	109.2	N457 T458 R463 H800	P455-N457 VanDerWaalsContact C-N 3.3Å; P455-N457 PolarHBondContact O-N 2.78Å; P455-T458 VanDerWaalsContact CG-OG1 3.29Å; P455-T458 WeakPolarHBondContact CG-OG1 3.29Å; P455-R463 VanDerWaalsContact CD-CD 3.43Å; P455-H800 PolarHBondContact O-ND1 2.87Å
456	P	86.1	Confident	88.5	Confident	83 Å²	83	67.8 Å²	67.8	54%	0.539	35%	0.352	S	S	.	.	S	Bend	trans	-70.5	-27.7	175.3	27.3	-33.5	0	0	0	112.9
457	N	88.1	Confident	88.9	Confident	152 Å²	152	64.9 Å²	64.9	81%	0.813	34%	0.338	S	S	*	.	S	Bend	trans	-87.5	-13.2	-171.2	-63.7	-26.1	0	0	0	114.5	P455	P455-N457 VanDerWaalsContact C-N 3.3Å; P455-N457 PolarHBondContact O-N 2.78Å
458	T	90.5	Very high	89.4	Confident	61 Å²	61	60.4 Å²	60.4	37%	0.374	32%	0.316	S	S	.	.	S	Bend	trans	-125.3	129.6	-178.3	60	0	0	0	0	110.4	P455 A460	P455-T458 VanDerWaalsContact CG-OG1 3.29Å; P455-T458 WeakPolarHBondContact CG-OG1 3.29Å; T458-A460 PolarHBondContact O-N 2.85Å
459	P	91.4	Very high	89.7	Confident	37 Å²	37	57.8 Å²	57.8	24%	0.24	31%	0.314	C	S	.	.			trans	-53.8	134.2	173.5	-24.1	33.2	0	0	0	111.6	S461 E462 R463 D804	P459-S461 PolarHBondContact O-N 2.94Å; P459-E462 HydrophobicContact CB-CB 4.41Å; P459-E462 HydrophobicContact CB-CG 4.17Å; P459-E462 HydrophobicContact CG-CG 4.42Å; P459-E462 PolarHBondContact O-N 3.33Å; P459-E462 VanDerWaalsContact O-N 3.11Å; P459-R463 PolarHBondContact O-N 3.36Å; P459-D804 WeakPolarHBondContact CA-OD2 2.95Å
460	A	91.1	Very high	90	Very high	2 Å²	2	55.2 Å²	55.2	2%	0.017	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-32.7	-179.3	0	0	0	0	0	111.5	T458 E462 R463 F464 F799 D804 F808	T458-A460 PolarHBondContact O-N 2.85Å; A460-E462 VanDerWaalsContact C-N 3.27Å; A460-E462 PolarHBondContact O-N 2.86Å; A460-R463 PolarHBondContact O-N 3.1Å; A460-F464 HydrophobicContact CB-CD2 4.04Å; A460-F464 HydrophobicContact CB-CE2 4.26Å; A460-F464 WeakPolarHBondContact O-CB 3.29Å; A460-F464 WeakPolarHBondContact O-CD2 3.28Å; A460-F464 PolarHBondContact O-N 3.43Å; A460-F799 HydrophobicContact CB-CD1 3.57Å; A460-F799 HydrophobicContact CB-CE1 3.69Å; A460-D804 HydrophobicContact CB-CB 4.12Å; A460-D804 VanDerWaalsContact N-CG 3.27Å; A460-D804 PolarHBondContact N-OD1 2.76Å; A460-D804 PolarHBondContact N-OD2 2.78Å; A460-F808 HydrophobicContact CB-CE2 4Å
461	S	90.2	Very high	89.9	Confident	29 Å²	29	58.9 Å²	58.9	20%	0.203	32%	0.321	C	S	.	.	H	α-helix	trans	-58.9	-36.2	173.7	48.3	0	0	0	0	112.9	P459 V465 D804	P459-S461 PolarHBondContact O-N 2.94Å; S461-V465 WeakPolarHBondContact O-CA 3.44Å; S461-V465 WeakPolarHBondContact O-CB 3.07Å; S461-V465 PolarHBondContact O-N 2.87Å; S461-D804 VanDerWaalsContact CB-OD1 3.28Å; S461-D804 WeakPolarHBondContact CB-OD1 3.31Å; S461-D804 PolarHBondContact N-OD1 2.98Å; S461-D804 PolarHBondContact OG-OD1 3.05Å
462	E	92.1	Very high	89.7	Confident	135 Å²	135	64.6 Å²	64.6	63%	0.631	34%	0.339	S	S	*	.	H	α-helix	trans	-76.8	-50	175.1	-66.5	179.1	-178.1	0	0	111.4	P459 A460 F464 V465	P459-E462 HydrophobicContact CB-CB 4.41Å; P459-E462 HydrophobicContact CB-CG 4.17Å; P459-E462 HydrophobicContact CG-CG 4.42Å; P459-E462 PolarHBondContact O-N 3.33Å; P459-E462 VanDerWaalsContact O-N 3.11Å; A460-E462 VanDerWaalsContact C-N 3.27Å; A460-E462 PolarHBondContact O-N 2.86Å; E462-F464 VanDerWaalsContact C-N 3.27Å; E462-F464 PolarHBondContact O-N 2.93Å; E462-V465 WeakPolarHBondContact O-CG1 3.5Å; E462-V465 PolarHBondContact O-N 3.27Å
463	R	90.9	Very high	89.7	Confident	79 Å²	79	64 Å²	64	30%	0.298	34%	0.335	S	S	.	.	H	α-helix	trans	-57.8	-40.5	-179.9	-173.1	176	-170.7	-174	13.1	112	E453 P455 P459 A460	E453-R463 PolarHBondContact O-NH1 3.4Å; P455-R463 VanDerWaalsContact CD-CD 3.43Å; P459-R463 PolarHBondContact O-N 3.36Å; A460-R463 PolarHBondContact O-N 3.1Å
464	F	92.9	Very high	89.7	Confident	6 Å²	6	62.1 Å²	62.1	3%	0.026	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	20.6	-174.7	-53.5	-68.9	0	0	0	113.9	V452 T454 A460 E462 K466 Y467 I779 L781 F808 L851	V452-F464 HydrophobicContact CG1-CE1 4.14Å; V452-F464 HydrophobicContact CG1-CZ 4.09Å; T454-F464 HydrophobicContact CG2-CE2 3.85Å; T454-F464 HydrophobicContact CG2-CZ 4.42Å; A460-F464 HydrophobicContact CB-CD2 4.04Å; A460-F464 HydrophobicContact CB-CE2 4.26Å; A460-F464 WeakPolarHBondContact O-CB 3.29Å; A460-F464 WeakPolarHBondContact O-CD2 3.28Å; A460-F464 PolarHBondContact O-N 3.43Å; E462-F464 VanDerWaalsContact C-N 3.27Å; E462-F464 PolarHBondContact O-N 2.93Å; F464-K466 PolarHBondContact O-N 2.81Å; F464-Y467 HydrophobicContact CB-CD2 4.02Å; F464-Y467 HydrophobicContact CB-CG 4.46Å; F464-Y467 AromaticContact CD1-CD2 3.93Å; F464-Y467 HydrophobicContact CD1-CD2 3.93Å; F464-Y467 HydrophobicContact CD1-CE2 4Å; F464-Y467 HydrophobicContact CG-CD2 4.48Å; F464-Y467 WeakPolarHBondContact O-CA 3.31Å; F464-Y467 WeakPolarHBondContact O-CB 3.4Å; F464-Y467 PolarHBondContact O-N 3.31Å; F464-I779 HydrophobicContact CD1-CD1 3.47Å; F464-I779 VanDerWaalsContact CD1-CD1 3.47Å; F464-I779 HydrophobicContact CE1-CD1 3.47Å; F464-I779 VanDerWaalsContact CE1-CD1 3.47Å; F464-I779 HydrophobicContact CG-CD1 4.45Å; F464-I779 HydrophobicContact CZ-CD1 4.46Å; F464-L781 HydrophobicContact CD2-CD1 3.85Å; F464-L781 HydrophobicContact CD2-CD2 4.31Å; F464-L781 HydrophobicContact CE1-CD2 3.94Å; F464-L781 HydrophobicContact CE2-CD1 3.75Å; F464-L781 HydrophobicContact CE2-CD2 3.68Å; F464-L781 HydrophobicContact CE2-CG 4.41Å; F464-L781 HydrophobicContact CZ-CD1 4.39Å; F464-L781 HydrophobicContact CZ-CD2 3.46Å; F464-L781 VanDerWaalsContact CZ-CD2 3.46Å; F464-F808 HydrophobicContact CB-CZ 4.18Å; F464-L851 HydrophobicContact CB-CD1 4.12Å; F464-L851 HydrophobicContact CG-CD1 4.25Å
465	V	89.7	Confident	89.4	Confident	101 Å²	101	65.8 Å²	65.8	61%	0.612	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-33.8	-179.7	69.8	0	0	0	0	113.7	S461 E462 Y467	S461-V465 WeakPolarHBondContact O-CA 3.44Å; S461-V465 WeakPolarHBondContact O-CB 3.07Å; S461-V465 PolarHBondContact O-N 2.87Å; E462-V465 WeakPolarHBondContact O-CG1 3.5Å; E462-V465 PolarHBondContact O-N 3.27Å; V465-Y467 VanDerWaalsContact C-N 3.27Å; V465-Y467 PolarHBondContact O-N 2.84Å
466	K	88.5	Confident	89.3	Confident	106 Å²	106	65.6 Å²	65.6	46%	0.461	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-9	178.9	-67	179.3	-179.1	168.5	0	113.6	F464 K853	F464-K466 PolarHBondContact O-N 2.81Å; K466-K853 HydrophobicContact CB-CD 4.12Å
467	Y	92.4	Very high	89.3	Confident	28 Å²	28	67.8 Å²	67.8	11%	0.11	36%	0.363	C	S	.	.			trans	-95.3	162.1	-177.8	-69.6	-100.4	0	0	0	111.9	F464 V465 K482 I779 L851 Y852 K853	F464-Y467 HydrophobicContact CB-CD2 4.02Å; F464-Y467 HydrophobicContact CB-CG 4.46Å; F464-Y467 AromaticContact CD1-CD2 3.93Å; F464-Y467 HydrophobicContact CD1-CD2 3.93Å; F464-Y467 HydrophobicContact CD1-CE2 4Å; F464-Y467 HydrophobicContact CG-CD2 4.48Å; F464-Y467 WeakPolarHBondContact O-CA 3.31Å; F464-Y467 WeakPolarHBondContact O-CB 3.4Å; F464-Y467 PolarHBondContact O-N 3.31Å; V465-Y467 VanDerWaalsContact C-N 3.27Å; V465-Y467 PolarHBondContact O-N 2.84Å; Y467-K482 PolarHBondContact O-NZ 2.93Å; Y467-I779 HydrophobicContact CD1-CD1 3.74Å; Y467-I779 HydrophobicContact CD1-CG1 3.89Å; Y467-I779 HydrophobicContact CD2-CD1 4.36Å; Y467-I779 HydrophobicContact CE1-CB 4.45Å; Y467-I779 HydrophobicContact CE1-CD1 3.56Å; Y467-I779 HydrophobicContact CE1-CG1 3.74Å; Y467-I779 HydrophobicContact CE1-CG2 3.93Å; Y467-I779 HydrophobicContact CE2-CD1 4.16Å; Y467-I779 HydrophobicContact CG-CD1 4.17Å; Y467-L851 HydrophobicContact CD1-CB 4.11Å; Y467-L851 HydrophobicContact CG-CB 4.37Å; Y467-Y852 CarbonylContact C-O 3.58Å; Y467-Y852 WeakPolarHBondContact CA-O 3.24Å; Y467-K853 HydrophobicContact CD1-CB 3.47Å; Y467-K853 VanDerWaalsContact CD1-CB 3.47Å; Y467-K853 HydrophobicContact CD2-CB 4.34Å; Y467-K853 HydrophobicContact CD2-CD 4.31Å; Y467-K853 HydrophobicContact CE1-CB 3.41Å; Y467-K853 VanDerWaalsContact CE1-CB 3.41Å; Y467-K853 HydrophobicContact CE1-CD 4.21Å; Y467-K853 HydrophobicContact CE1-CG 4.46Å; Y467-K853 HydrophobicContact CE2-CB 4.33Å; Y467-K853 HydrophobicContact CE2-CD 3.84Å; Y467-K853 HydrophobicContact CG-CB 3.94Å
468	C	91	Very high	89.3	Confident	7 Å²	7	61.6 Å²	61.6	5%	0.047	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-140	147.8	174.9	66.4	0	0	0	0	112	W478 K482 Y852	C468-W478 VanDerWaalsContact SG-CH2 3.59Å; C468-K482 HydrophobicContact CB-CD 3.42Å; C468-K482 VanDerWaalsContact CB-CD 3.42Å; C468-Y852 PolarHBondContact N-O 3.48Å; C468-Y852 WeakPolarHBondContact O-CD2 3.35Å; C468-Y852 PolarHBondContact O-N 2.91Å; C468-Y852 PolarHBondContact SG-O 2.94Å
469	G	90.3	Very high	89	Confident	31 Å²	31	61 Å²	61	32%	0.32	33%	0.325	S	S	.	.			trans	-72.3	140.3	163.2	0	0	0	0	0	110.8
470	L	90.3	Very high	88.3	Confident	11 Å²	11	63.3 Å²	63.3	6%	0.058	35%	0.348	C	S	.	.			trans	-125.5	136	166.6	-65.3	173.3	0	0	0	108	R472 W478 P479 Y852	L470-R472 VanDerWaalsContact C-N 3.26Å; L470-R472 PolarHBondContact O-N 2.95Å; L470-W478 HydrophobicContact CD1-CE3 4.12Å; L470-W478 HydrophobicContact CD1-CZ3 4.05Å; L470-P479 HydrophobicContact CD2-CG 4.46Å; L470-Y852 HydrophobicContact CB-CD2 3.66Å; L470-Y852 HydrophobicContact CB-CE2 3.68Å; L470-Y852 HydrophobicContact CD1-CD1 4.43Å; L470-Y852 HydrophobicContact CD1-CD2 3.72Å; L470-Y852 HydrophobicContact CD1-CE2 4.25Å; L470-Y852 HydrophobicContact CD1-CG 3.81Å; L470-Y852 HydrophobicContact CG-CD2 3.67Å; L470-Y852 HydrophobicContact CG-CE2 4.2Å; L470-Y852 HydrophobicContact CG-CG 4.21Å
471	P	86.1	Confident	87.5	Confident	84 Å²	84	71.3 Å²	71.3	55%	0.545	39%	0.385	S	S	.	.	S	Bend	trans	-59.4	-38	177.9	-24.9	33.5	0	0	0	112.9	Q812	P471-Q812 PolarHBondContact O-OE1 3.38Å
472	R	86.8	Confident	86.8	Confident	179 Å²	179	73.8 Å²	73.8	68%	0.675	39%	0.392	S	S	*	.	S	Bend	trans	-148.6	138.2	175.5	-69.1	-174	-178.9	-178.2	-0.5	109	L470 S475 S476	L470-R472 VanDerWaalsContact C-N 3.26Å; L470-R472 PolarHBondContact O-N 2.95Å; R472-S475 VanDerWaalsContact CB-OG 3.24Å; R472-S475 WeakPolarHBondContact CB-OG 3.29Å; R472-S475 WeakPolarHBondContact CD-OG 3.25Å; R472-S476 WeakPolarHBondContact O-CB 3.21Å; R472-S476 PolarHBondContact O-N 3.46Å; R472-S476 PolarHBondContact O-OG 3.16Å
473	F	88.5	Confident	86	Confident	17 Å²	17	70 Å²	70	8%	0.075	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-61.3	-174	-178.7	-117.4	0	0	0	112.7	S476 K708 K710 I776 Y852	F473-S476 PolarHBondContact O-OG 2.85Å; F473-K708 HydrophobicContact CE1-CB 4.33Å; F473-K708 HydrophobicContact CE2-CB 4.31Å; F473-K708 HydrophobicContact CZ-CB 3.91Å; F473-K708 VanDerWaalsContact O-CD 3.28Å; F473-K708 WeakPolarHBondContact O-CD 3.19Å; F473-K708 PolarHBondContact O-NZ 3.37Å; F473-K710 HydrophobicContact CE1-CB 4.24Å; F473-K710 HydrophobicContact CZ-CB 4.28Å; F473-I776 HydrophobicContact CE2-CB 3.76Å; F473-I776 HydrophobicContact CE2-CD1 3.94Å; F473-I776 HydrophobicContact CE2-CG1 4.42Å; F473-I776 HydrophobicContact CE2-CG2 3.77Å; F473-I776 HydrophobicContact CZ-CB 4.12Å; F473-I776 HydrophobicContact CZ-CD1 4.49Å; F473-Y852 HydrophobicContact CB-CE1 4.1Å; F473-Y852 AromaticContact CD2-CD1 3.56Å; F473-Y852 HydrophobicContact CD2-CD1 3.56Å; F473-Y852 AromaticContact CD2-CE1 3.26Å; F473-Y852 HydrophobicContact CD2-CE1 3.26Å; F473-Y852 AromaticContact CE2-CD1 3.88Å; F473-Y852 HydrophobicContact CE2-CD1 3.88Å; F473-Y852 AromaticContact CE2-CE1 3.96Å; F473-Y852 HydrophobicContact CE2-CE1 3.96Å; F473-Y852 AromaticContact CG-CE1 3.96Å; F473-Y852 HydrophobicContact CG-CE1 3.96Å
474	Q	86.8	Confident	85.2	Confident	117 Å²	117	76.4 Å²	76.4	55%	0.547	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-43.4	-176.6	-79.5	78.1	0.8	0	0	114
475	S	84.6	Confident	84.6	Confident	89 Å²	89	80.9 Å²	80.9	62%	0.622	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.3	-169.4	69.2	0	0	0	0	114.6	R472	R472-S475 VanDerWaalsContact CB-OG 3.24Å; R472-S475 WeakPolarHBondContact CB-OG 3.29Å; R472-S475 WeakPolarHBondContact CD-OG 3.25Å
476	S	87.1	Confident	84.2	Confident	23 Å²	23	78.1 Å²	78.1	16%	0.161	41%	0.408	C	S	.	.	S	Bend	trans	-80.3	150	176.9	60.5	0	0	0	0	111.2	R472 F473 K708	R472-S476 WeakPolarHBondContact O-CB 3.21Å; R472-S476 PolarHBondContact O-N 3.46Å; R472-S476 PolarHBondContact O-OG 3.16Å; F473-S476 PolarHBondContact O-OG 2.85Å; S476-K708 WeakPolarHBondContact O-CE 3.42Å; S476-K708 PolarHBondContact O-NZ 3.41Å; S476-K708 PolarHBondContact OG-NZ 3Å
477	V	87	Confident	83.6	Confident	130 Å²	130	80 Å²	80	79%	0.788	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-79	144	168.4	-177.5	0	0	0	0	109
478	W	87.6	Confident	82.7	Confident	22 Å²	22	82.7 Å²	82.7	8%	0.083	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-71.6	129.9	173.4	-174.6	-100.4	0	0	0	110.1	C468 L470 A480 K482 L774 I776 R854	C468-W478 VanDerWaalsContact SG-CH2 3.59Å; L470-W478 HydrophobicContact CD1-CE3 4.12Å; L470-W478 HydrophobicContact CD1-CZ3 4.05Å; W478-A480 PolarHBondContact O-N 2.83Å; W478-K482 HydrophobicContact CZ2-CB 4.43Å; W478-L774 HydrophobicContact CB-CD1 3.74Å; W478-L774 HydrophobicContact CG-CD1 4.38Å; W478-I776 HydrophobicContact CD2-CD1 4.25Å; W478-I776 HydrophobicContact CE3-CD1 3.45Å; W478-I776 VanDerWaalsContact CE3-CD1 3.45Å; W478-I776 HydrophobicContact CE3-CG1 4.26Å; W478-I776 HydrophobicContact CH2-CG2 4.39Å; W478-I776 HydrophobicContact CZ3-CD1 3.68Å; W478-I776 HydrophobicContact CZ3-CG1 4.19Å; W478-I776 HydrophobicContact CZ3-CG2 3.95Å; W478-R854 HydrophobicContact CH2-CB 4.33Å; W478-R854 HydrophobicContact CZ2-CB 3.63Å
479	P	84	Confident	82.1	Confident	47 Å²	47	83.6 Å²	83.6	31%	0.305	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-61.1	130.3	-178.6	-22.6	32.6	0	0	0	112.5	L470 E481 K482	L470-P479 HydrophobicContact CD2-CG 4.46Å; P479-E481 PolarHBondContact O-N 2.77Å; P479-K482 HydrophobicContact CB-CB 4.34Å; P479-K482 HydrophobicContact CB-CG 4.4Å; P479-K482 PolarHBondContact O-N 2.86Å
480	A	77.4	Confident	81.2	Confident	87 Å²	87	89.1 Å²	89.1	72%	0.719	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-64.1	-40.2	179.8	0	0	0	0	0	112.5	W478 K482 N483	W478-A480 PolarHBondContact O-N 2.83Å; A480-K482 PolarHBondContact O-N 3.49Å; A480-N483 WeakPolarHBondContact O-CB 3.46Å; A480-N483 PolarHBondContact O-N 3.25Å
481	E	74	Confident	80.5	Confident	170 Å²	170	91.9 Å²	91.9	79%	0.794	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-60.5	-26	178	-64.3	170.6	-168.4	0	0	113.2	P479 N483 W484	P479-E481 PolarHBondContact O-N 2.77Å; E481-N483 VanDerWaalsContact C-N 3.31Å; E481-W484 PolarHBondContact O-NE1 3.22Å
482	K	74.7	Confident	80.3	Confident	80 Å²	80	88.4 Å²	88.4	35%	0.348	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-93.6	10.1	178.2	-65.1	-167.4	172.5	-166.9	0	112.8	Y467 C468 W478 P479 A480 W484	Y467-K482 PolarHBondContact O-NZ 2.93Å; C468-K482 HydrophobicContact CB-CD 3.42Å; C468-K482 VanDerWaalsContact CB-CD 3.42Å; W478-K482 HydrophobicContact CZ2-CB 4.43Å; P479-K482 HydrophobicContact CB-CB 4.34Å; P479-K482 HydrophobicContact CB-CG 4.4Å; P479-K482 PolarHBondContact O-N 2.86Å; A480-K482 PolarHBondContact O-N 3.49Å; K482-W484 VanDerWaalsContact C-N 3.33Å; K482-W484 PolarHBondContact O-N 3.32Å
483	N	74.6	Confident	80.2	Confident	55 Å²	55	79.9 Å²	79.9	29%	0.294	41%	0.409	S	S	.	.			trans	-94.5	55.5	-178.8	-164.3	23.3	0	0	0	112.7	A480 E481 L485 R854	A480-N483 WeakPolarHBondContact O-CB 3.46Å; A480-N483 PolarHBondContact O-N 3.25Å; E481-N483 VanDerWaalsContact C-N 3.31Å; N483-L485 PolarHBondContact O-N 3.46Å; N483-R854 PolarHBondContact OD1-NH1 2.9Å
484	W	74.5	Confident	79.9	Confident	214 Å²	214	80.8 Å²	80.8	81%	0.811	42%	0.417	S	S	*	.			trans	-70.2	96.7	176.1	-56.2	100.9	0	0	0	110.1	E481 K482 F856	E481-W484 PolarHBondContact O-NE1 3.22Å; K482-W484 VanDerWaalsContact C-N 3.33Å; K482-W484 PolarHBondContact O-N 3.32Å; W484-F856 WeakPolarHBondContact O-CE2 3.35Å
485	L	81	Confident	79.7	Confident	101 Å²	101	75.5 Å²	75.5	53%	0.529	39%	0.392	S	S	.	.			trans	-69.2	133.7	176.9	-73.2	152.8	0	0	0	109.8	N483 Y489 F856	N483-L485 PolarHBondContact O-N 3.46Å; L485-Y489 HydrophobicContact CD2-CD1 3.74Å; L485-Y489 HydrophobicContact CD2-CE1 4.44Å; L485-Y489 HydrophobicContact CD2-CG 4.06Å; L485-F856 HydrophobicContact CD2-CE1 4.1Å; L485-F856 HydrophobicContact CD2-CZ 4.39Å
486	P	80.4	Confident	79.4	Confident	42 Å²	42	81 Å²	81	27%	0.273	40%	0.399	S	S	.	.			trans	-58.8	151.9	171.9	-22.7	31.5	0	0	0	112	H488 Y489 F856	P486-H488 VanDerWaalsContact C-N 3.25Å; P486-H488 PolarHBondContact O-N 2.73Å; P486-H488 VanDerWaalsContact O-N 3.16Å; P486-Y489 HydrophobicContact CB-CD2 3.98Å; P486-Y489 HydrophobicContact CG-CD2 3.72Å; P486-Y489 HydrophobicContact CG-CE2 4.02Å; P486-Y489 WeakPolarHBondContact O-CB 3.22Å; P486-Y489 PolarHBondContact O-N 2.82Å; P486-F856 HydrophobicContact CG-CB 3.98Å; P486-F856 HydrophobicContact CG-CD1 4.12Å; P486-F856 HydrophobicContact CG-CD2 3.87Å; P486-F856 HydrophobicContact CG-CE2 4.33Å; P486-F856 HydrophobicContact CG-CG 3.74Å
487	K	76.6	Confident	79.4	Confident	147 Å²	147	83.7 Å²	83.7	64%	0.639	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-51.5	-43.2	-180	-66	174.4	-176.4	164.6	0	112.9	D409 Y489 Q490	D409-K487 IonicContact OD2-NZ 3.37Å; D409-K487 PolarHBondContact OD2-NZ 2.92Å; K487-Y489 PolarHBondContact O-N 2.88Å; K487-Q490 WeakPolarHBondContact O-CB 3.11Å; K487-Q490 PolarHBondContact O-N 2.88Å
488	H	73.2	Confident	79.5	Confident	83 Å²	83	78 Å²	78	38%	0.384	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-65.6	-22.4	-178.9	-57.4	-72.2	0	0	0	114	P486 Q490 N491 Y859	P486-H488 VanDerWaalsContact C-N 3.25Å; P486-H488 PolarHBondContact O-N 2.73Å; P486-H488 VanDerWaalsContact O-N 3.16Å; H488-Q490 PolarHBondContact O-N 3.41Å; H488-N491 PolarHBondContact O-N 2.88Å; H488-Y859 HydrophobicContact CB-CD1 4.45Å; H488-Y859 HydrophobicContact CB-CD2 3.76Å; H488-Y859 HydrophobicContact CB-CE2 4.06Å; H488-Y859 HydrophobicContact CB-CG 3.98Å; H488-Y859 AromaticContact CD2-CG 3.98Å; H488-Y859 AromaticContact CE1-CD1 3.94Å; H488-Y859 AromaticContact CG-CD1 3.86Å; H488-Y859 AromaticContact CG-CG 3.77Å; H488-Y859 AromaticContact ND1-CD1 3.76Å; H488-Y859 AromaticContact ND1-CE1 3.79Å
489	Y	77.7	Confident	79.5	Confident	26 Å²	26	81.3 Å²	81.3	10%	0.102	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-66.2	-15	176.5	-95.5	-104.9	0	0	0	113.2	L485 P486 K487 N491 I492 V588 Y727 P771 F856 P857	L485-Y489 HydrophobicContact CD2-CD1 3.74Å; L485-Y489 HydrophobicContact CD2-CE1 4.44Å; L485-Y489 HydrophobicContact CD2-CG 4.06Å; P486-Y489 HydrophobicContact CB-CD2 3.98Å; P486-Y489 HydrophobicContact CG-CD2 3.72Å; P486-Y489 HydrophobicContact CG-CE2 4.02Å; P486-Y489 WeakPolarHBondContact O-CB 3.22Å; P486-Y489 PolarHBondContact O-N 2.82Å; K487-Y489 PolarHBondContact O-N 2.88Å; Y489-N491 PolarHBondContact O-N 3.43Å; Y489-I492 HydrophobicContact CD1-CD1 3.36Å; Y489-I492 HydrophobicContact CD1-CG1 4.39Å; Y489-I492 HydrophobicContact CD2-CD1 4.45Å; Y489-I492 HydrophobicContact CE1-CD1 3.65Å; Y489-I492 HydrophobicContact CG-CD1 3.79Å; Y489-I492 WeakPolarHBondContact O-CG1 3.36Å; Y489-V588 HydrophobicContact CE1-CG2 4.12Å; Y489-V588 WeakPolarHBondContact OH-CG2 3.12Å; Y489-Y727 HydrophobicContact CD2-CE1 4.37Å; Y489-Y727 WeakPolarHBondContact CD2-OH 3.43Å; Y489-Y727 HydrophobicContact CE2-CE1 4.15Å; Y489-Y727 AromaticContact CE2-CZ 3.63Å; Y489-Y727 WeakPolarHBondContact CE2-OH 3.24Å; Y489-P771 HydrophobicContact CD1-CB 4.35Å; Y489-P771 HydrophobicContact CE1-CB 3.92Å; Y489-F856 HydrophobicContact CD2-CD1 4.27Å; Y489-F856 HydrophobicContact CE1-CD1 4.19Å; Y489-F856 HydrophobicContact CE1-CE1 4.3Å; Y489-F856 HydrophobicContact CE2-CB 4.16Å; Y489-F856 AromaticContact CE2-CD1 3.47Å; Y489-F856 HydrophobicContact CE2-CD1 3.47Å; Y489-F856 VanDerWaalsContact CE2-CD1 3.47Å; Y489-F856 HydrophobicContact CE2-CE1 4.15Å; Y489-F856 HydrophobicContact CE2-CG 4.16Å; Y489-F856 AromaticContact CZ-CD1 3.47Å; Y489-F856 VanDerWaalsContact CZ-CD1 3.47Å; Y489-F856 WeakPolarHBondContact OH-CD1 3.45Å; Y489-P857 WeakPolarHBondContact OH-CD 3.25Å
490	Q	72.7	Confident	79.7	Confident	148 Å²	148	87.7 Å²	87.7	69%	0.692	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-67.5	-25.5	176.4	-171.5	171.6	6.2	0	0	112.7	K487 H488	K487-Q490 WeakPolarHBondContact O-CB 3.11Å; K487-Q490 PolarHBondContact O-N 2.88Å; H488-Q490 PolarHBondContact O-N 3.41Å
491	N	74.6	Confident	80.2	Confident	68 Å²	68	84.1 Å²	84.1	36%	0.364	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-110.5	11.1	-169.9	-63.7	-26.5	0	0	0	113.9	H488 Y489 S890	H488-N491 PolarHBondContact O-N 2.88Å; Y489-N491 PolarHBondContact O-N 3.43Å; N491-S890 CarbonylContact C-O 3.59Å
492	I	83.3	Confident	80.9	Confident	11 Å²	11	78.6 Å²	78.6	6%	0.056	35%	0.351	C	S	.	.	S	Bend	trans	-97.4	142.5	-179.4	64.7	-179.8	0	0	0	111.5	Y489 M586 V588 Y727 P771 S890	Y489-I492 HydrophobicContact CD1-CD1 3.36Å; Y489-I492 HydrophobicContact CD1-CG1 4.39Å; Y489-I492 HydrophobicContact CD2-CD1 4.45Å; Y489-I492 HydrophobicContact CE1-CD1 3.65Å; Y489-I492 HydrophobicContact CG-CD1 3.79Å; Y489-I492 WeakPolarHBondContact O-CG1 3.36Å; I492-M586 CarbonylContact C-O 3.57Å; I492-M586 WeakPolarHBondContact CA-O 3.12Å; I492-M586 WeakPolarHBondContact CB-O 3.3Å; I492-M586 HydrophobicContact CG2-CG 4.3Å; I492-V588 HydrophobicContact CD1-CG2 3.97Å; I492-Y727 HydrophobicContact CD1-CE1 4.34Å; I492-Y727 HydrophobicContact CG2-CD1 4.27Å; I492-Y727 HydrophobicContact CG2-CE1 4.05Å; I492-P771 HydrophobicContact CD1-CB 3.42Å; I492-P771 VanDerWaalsContact CD1-CB 3.42Å; I492-P771 HydrophobicContact CD1-CG 4.19Å; I492-P771 HydrophobicContact CG1-CB 4.22Å; I492-P771 HydrophobicContact CG1-CG 4.5Å; I492-S890 CarbonylContact C-O 3.12Å
493	A	84	Confident	81.4	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	36%	0.363	C	S	.	.			trans	-65.6	134.9	173.9	0	0	0	0	0	111.2	Q585 M586 S587 V730 L894	A493-Q585 HydrophobicContact CB-CB 3.69Å; A493-M586 PolarHBondContact N-O 2.83Å; A493-S587 PolarHBondContact O-OG 2.91Å; A493-S587 VanDerWaalsContact O-OG 3.05Å; A493-V730 HydrophobicContact CB-CG2 4.28Å; A493-L894 HydrophobicContact CB-CD1 3.55Å; A493-L894 HydrophobicContact CB-CG 4.37Å
494	C	82.4	Confident	82.1	Confident	37 Å²	37	81.9 Å²	81.9	25%	0.25	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-126.1	132	173.7	-176.1	0	0	0	0	110.2	P771 V893 L894	C494-P771 HydrophobicContact CB-CG 3.56Å; C494-V893 WeakPolarHBondContact O-CA 3.37Å; C494-L894 PolarHBondContact O-N 3.24Å
495	F	82.1	Confident	82.6	Confident	6 Å²	6	71.8 Å²	71.8	3%	0.026	33%	0.325	C	S	.	.			trans	-99.9	127.2	172.7	-62.5	-63.7	0	0	0	109.8	N497 Y498 N501 H582 V730 V769 L894	F495-N497 PolarHBondContact O-N 2.88Å; F495-Y498 HydrophobicContact CD2-CD2 4.1Å; F495-Y498 HydrophobicContact CE2-CD2 4.45Å; F495-N501 WeakPolarHBondContact CB-ND2 3.35Å; F495-N501 HydrophobicContact CD1-CB 4.15Å; F495-N501 WeakPolarHBondContact CD1-ND2 2.86Å; F495-H582 HydrophobicContact CZ-CB 4.45Å; F495-V730 HydrophobicContact CE2-CB 4.24Å; F495-V730 HydrophobicContact CE2-CG1 3.56Å; F495-V730 HydrophobicContact CE2-CG2 3.61Å; F495-V730 HydrophobicContact CZ-CB 4.33Å; F495-V730 HydrophobicContact CZ-CG1 3.61Å; F495-V730 HydrophobicContact CZ-CG2 3.78Å; F495-V769 HydrophobicContact CD2-CG1 4.31Å; F495-V769 HydrophobicContact CE2-CG1 4.16Å; F495-L894 HydrophobicContact CD1-CB 3.72Å; F495-L894 WeakPolarHBondContact CD1-O 3.26Å; F495-L894 HydrophobicContact CE1-CB 3.54Å; F495-L894 HydrophobicContact CE1-CD1 3.81Å; F495-L894 HydrophobicContact CE1-CG 4.34Å; F495-L894 HydrophobicContact CZ-CD1 4.08Å
496	R	79.6	Confident	82.8	Confident	203 Å²	203	68.1 Å²	68.1	77%	0.766	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.7	171.1	-174.3	174.9	-179.5	164.8	-2.6	112.4	V893 Q895	R496-V893 HydrophobicContact CB-CG1 3.89Å; R496-Q895 VanDerWaalsContact CD-NE2 3.33Å
497	N	86	Confident	83.1	Confident	81 Å²	81	74.1 Å²	74.1	43%	0.433	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.1	99.7	171.4	-176	-36.1	0	0	0	109.4	F495 H499 R500 N501	F495-N497 PolarHBondContact O-N 2.88Å; N497-H499 PolarHBondContact O-N 2.63Å; N497-H499 PolarHBondContact OD1-N 2.89Å; N497-H499 VanDerWaalsContact OD1-N 3.12Å; N497-R500 HydrophobicContact CB-CB 3.95Å; N497-R500 PolarHBondContact O-N 3.07Å; N497-R500 PolarHBondContact OD1-N 3.02Å; N497-N501 WeakPolarHBondContact O-CB 3.38Å; N497-N501 PolarHBondContact O-N 3.39Å
498	Y	88.8	Confident	83.5	Confident	10 Å²	10	69.1 Å²	69.1	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-54.5	-46.5	179.1	166	-109.3	0	0	0	112.8	F495 R500 N501 R502 M731 Y732 S733 L766 V769	F495-Y498 HydrophobicContact CD2-CD2 4.1Å; F495-Y498 HydrophobicContact CE2-CD2 4.45Å; Y498-R500 PolarHBondContact O-N 3.13Å; Y498-N501 PolarHBondContact O-N 2.71Å; Y498-R502 VanDerWaalsContact O-CB 3.27Å; Y498-R502 WeakPolarHBondContact O-CB 3.2Å; Y498-R502 PolarHBondContact O-N 2.97Å; Y498-M731 WeakPolarHBondContact CE2-O 3.01Å; Y498-M731 PolarHBondContact OH-O 3.5Å; Y498-M731 VanDerWaalsContact OH-O 3.06Å; Y498-Y732 HydrophobicContact CE2-CD1 4.39Å; Y498-S733 VanDerWaalsContact OH-CB 3.32Å; Y498-S733 WeakPolarHBondContact OH-CB 3.33Å; Y498-S733 PolarHBondContact OH-N 2.94Å; Y498-L766 WeakPolarHBondContact OH-CD2 3.13Å; Y498-V769 HydrophobicContact CD2-CB 3.78Å; Y498-V769 HydrophobicContact CD2-CG2 4.14Å; Y498-V769 HydrophobicContact CE2-CB 3.91Å; Y498-V769 HydrophobicContact CE2-CG2 3.72Å; Y498-V769 HydrophobicContact CG-CB 4.33Å
499	H	88.6	Confident	84	Confident	92 Å²	92	65.4 Å²	65.4	43%	0.426	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-37.1	-177.3	-63.6	-59.4	0	0	0	112.8	N497 R503	N497-H499 PolarHBondContact O-N 2.63Å; N497-H499 PolarHBondContact OD1-N 2.89Å; N497-H499 VanDerWaalsContact OD1-N 3.12Å; H499-R503 WeakPolarHBondContact O-CG 3.33Å; H499-R503 PolarHBondContact O-N 2.85Å; H499-R503 VanDerWaalsContact O-N 3.09Å
500	R	88.5	Confident	84.3	Confident	180 Å²	180	68.4 Å²	68.4	68%	0.679	30%	0.298	S	S	*	.	H	α-helix	trans	-67.8	-45.1	173.9	-175.7	178	179	172.5	1	111.3	N497 Y498 R503 T504	N497-R500 HydrophobicContact CB-CB 3.95Å; N497-R500 PolarHBondContact O-N 3.07Å; N497-R500 PolarHBondContact OD1-N 3.02Å; Y498-R500 PolarHBondContact O-N 3.13Å; R500-R503 PolarHBondContact O-N 3Å; R500-T504 WeakPolarHBondContact O-CB 3.16Å; R500-T504 PolarHBondContact O-N 3.01Å; R500-T504 PolarHBondContact O-OG1 2.74Å
501	N	87.4	Confident	84.9	Confident	13 Å²	13	66.3 Å²	66.3	7%	0.07	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-43.9	177.5	-80.7	-24.5	0	0	0	111.3	F495 N497 Y498 R503 T504 M505 L894	F495-N501 WeakPolarHBondContact CB-ND2 3.35Å; F495-N501 HydrophobicContact CD1-CB 4.15Å; F495-N501 WeakPolarHBondContact CD1-ND2 2.86Å; N497-N501 WeakPolarHBondContact O-CB 3.38Å; N497-N501 PolarHBondContact O-N 3.39Å; Y498-N501 PolarHBondContact O-N 2.71Å; N501-R503 PolarHBondContact O-N 3.01Å; N501-T504 PolarHBondContact O-N 3.46Å; N501-M505 WeakPolarHBondContact O-CB 3.48Å; N501-M505 PolarHBondContact O-N 3.09Å; N501-L894 PolarHBondContact ND2-O 2.66Å
502	R	87.3	Confident	85.3	Confident	53 Å²	53	64.8 Å²	64.8	20%	0.2	28%	0.278	C	S	.	.	H	α-helix	trans	-54.3	-50.7	172	176.5	-166.2	170	-90	-7.9	112.5	Y498 T504 M505 I506 Y732 S733	Y498-R502 VanDerWaalsContact O-CB 3.27Å; Y498-R502 WeakPolarHBondContact O-CB 3.2Å; Y498-R502 PolarHBondContact O-N 2.97Å; R502-T504 VanDerWaalsContact C-N 3.29Å; R502-T504 PolarHBondContact O-N 2.86Å; R502-M505 PolarHBondContact O-N 3.17Å; R502-I506 HydrophobicContact CG-CD1 4.12Å; R502-I506 WeakPolarHBondContact O-CG1 3.45Å; R502-I506 PolarHBondContact O-N 3.03Å; R502-Y732 HydrophobicContact CB-CD1 4.03Å; R502-Y732 HydrophobicContact CG-CD1 4.16Å; R502-S733 PolarHBondContact NE-O 3.02Å; R502-S733 PolarHBondContact NH2-O 2.86Å
503	R	86.9	Confident	85.3	Confident	158 Å²	158	65.9 Å²	65.9	60%	0.596	28%	0.284	S	S	*	.	H	α-helix	trans	-61.8	-39	178.5	-73.9	175.4	179.9	174.8	1.1	111.7	H499 R500 N501 R507	H499-R503 WeakPolarHBondContact O-CG 3.33Å; H499-R503 PolarHBondContact O-N 2.85Å; H499-R503 VanDerWaalsContact O-N 3.09Å; R500-R503 PolarHBondContact O-N 3Å; N501-R503 PolarHBondContact O-N 3.01Å; R503-R507 WeakPolarHBondContact O-CG 3.43Å; R503-R507 PolarHBondContact O-N 3.23Å; R503-R507 VanDerWaalsContact O-N 3.15Å
504	T	88.3	Confident	85	Confident	47 Å²	47	68.3 Å²	68.3	29%	0.288	30%	0.304	S	S	.	.	H	α-helix	trans	-67.4	-44.1	178.9	-54.5	0	0	0	0	111.1	R500 N501 R502 R507 Y508 L896	R500-T504 WeakPolarHBondContact O-CB 3.16Å; R500-T504 PolarHBondContact O-N 3.01Å; R500-T504 PolarHBondContact O-OG1 2.74Å; N501-T504 PolarHBondContact O-N 3.46Å; R502-T504 VanDerWaalsContact C-N 3.29Å; R502-T504 PolarHBondContact O-N 2.86Å; T504-R507 PolarHBondContact O-N 2.74Å; T504-Y508 WeakPolarHBondContact O-CB 3.28Å; T504-Y508 PolarHBondContact O-N 2.97Å; T504-L896 HydrophobicContact CG2-CB 3.92Å; T504-L896 HydrophobicContact CG2-CD1 3.95Å
505	M	86.3	Confident	85	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-49.2	174.8	-177.9	-74	-80.2	0	0	110.8	N501 R502 R507 Y508 I509 L580 P581 Y732 L896	N501-M505 WeakPolarHBondContact O-CB 3.48Å; N501-M505 PolarHBondContact O-N 3.09Å; R502-M505 PolarHBondContact O-N 3.17Å; M505-R507 VanDerWaalsContact C-N 3.33Å; M505-R507 PolarHBondContact O-N 3.3Å; M505-Y508 WeakPolarHBondContact O-CB 3.33Å; M505-Y508 PolarHBondContact O-N 2.97Å; M505-Y508 VanDerWaalsContact O-N 3.08Å; M505-I509 HydrophobicContact CE-CD1 4.48Å; M505-I509 HydrophobicContact CG-CD1 4.49Å; M505-I509 PolarHBondContact O-N 2.73Å; M505-I509 HydrophobicContact SD-CD1 3.22Å; M505-I509 WeakPolarHBondContact SD-CD1 3.44Å; M505-I509 HydrophobicContact SD-CG1 3.81Å; M505-L580 HydrophobicContact CE-CD1 3.68Å; M505-L580 HydrophobicContact SD-CD1 4.22Å; M505-P581 HydrophobicContact CG-CB 4.36Å; M505-P581 HydrophobicContact CG-CG 4.3Å; M505-Y732 HydrophobicContact CB-CE1 4.24Å; M505-Y732 HydrophobicContact CE-CD1 3.64Å; M505-Y732 HydrophobicContact CE-CD2 3.36Å; M505-Y732 HydrophobicContact CE-CE1 4.12Å; M505-Y732 HydrophobicContact CE-CE2 3.85Å; M505-Y732 HydrophobicContact CE-CG 3.2Å; M505-Y732 HydrophobicContact CG-CE1 4.25Å; M505-Y732 HydrophobicContact CG-CE2 4.2Å; M505-L896 HydrophobicContact CB-CD1 3.85Å
506	I	84.3	Confident	84.9	Confident	24 Å²	24	71.1 Å²	71.1	12%	0.123	32%	0.315	C	S	.	.	H	α-helix	trans	-57.8	-46.9	179.5	-71.7	168.6	0	0	0	110.9	Y254 R502 Y508 I509 E510	Y254-I506 HydrophobicContact CE2-CG1 4.49Å; Y254-I506 HydrophobicContact CE2-CG2 4.31Å; Y254-I506 WeakPolarHBondContact OH-CG2 3.38Å; R502-I506 HydrophobicContact CG-CD1 4.12Å; R502-I506 WeakPolarHBondContact O-CG1 3.45Å; R502-I506 PolarHBondContact O-N 3.03Å; I506-Y508 VanDerWaalsContact C-N 3.3Å; I506-Y508 PolarHBondContact O-N 3.5Å; I506-I509 PolarHBondContact O-N 3.22Å; I506-E510 HydrophobicContact CG2-CG 4.41Å; I506-E510 WeakPolarHBondContact O-CB 3.5Å; I506-E510 WeakPolarHBondContact O-CG 3.37Å; I506-E510 PolarHBondContact O-N 3Å
507	R	86	Confident	84.6	Confident	167 Å²	167	68 Å²	68	63%	0.63	31%	0.309	S	S	*	.	H	α-helix	trans	-60.7	-39.8	176.7	-71.8	174.3	-175.9	168.8	-0.5	112.2	R503 T504 M505 E510 Q511	R503-R507 WeakPolarHBondContact O-CG 3.43Å; R503-R507 PolarHBondContact O-N 3.23Å; R503-R507 VanDerWaalsContact O-N 3.15Å; T504-R507 PolarHBondContact O-N 2.74Å; M505-R507 VanDerWaalsContact C-N 3.33Å; M505-R507 PolarHBondContact O-N 3.3Å; R507-E510 PolarHBondContact O-N 2.81Å; R507-Q511 WeakPolarHBondContact O-CB 3.41Å; R507-Q511 PolarHBondContact O-N 2.95Å
508	Y	86.4	Confident	83.8	Confident	42 Å²	42	68.4 Å²	68.4	17%	0.165	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-45.2	177	170.8	-99.9	0	0	0	111.8	L299 T504 M505 I506 Q511 K512 P581	L299-Y508 HydrophobicContact CD1-CD1 3.83Å; L299-Y508 HydrophobicContact CD1-CE1 3.38Å; L299-Y508 HydrophobicContact CD1-CE2 4.22Å; L299-Y508 HydrophobicContact CD1-CG 4.4Å; L299-Y508 HydrophobicContact CD2-CD2 4.28Å; L299-Y508 HydrophobicContact CD2-CE2 3.89Å; L299-Y508 HydrophobicContact CG-CE1 3.98Å; L299-Y508 HydrophobicContact CG-CE2 4.02Å; T504-Y508 WeakPolarHBondContact O-CB 3.28Å; T504-Y508 PolarHBondContact O-N 2.97Å; M505-Y508 WeakPolarHBondContact O-CB 3.33Å; M505-Y508 PolarHBondContact O-N 2.97Å; M505-Y508 VanDerWaalsContact O-N 3.08Å; I506-Y508 VanDerWaalsContact C-N 3.3Å; I506-Y508 PolarHBondContact O-N 3.5Å; Y508-Q511 WeakPolarHBondContact O-CB 3.35Å; Y508-Q511 PolarHBondContact O-N 3.41Å; Y508-K512 HydrophobicContact CD1-CD 4.48Å; Y508-K512 HydrophobicContact CE1-CD 3.76Å; Y508-K512 HydrophobicContact CE1-CG 4.38Å; Y508-K512 PolarHBondContact O-N 3.49Å; Y508-K512 WeakPolarHBondContact OH-CE 3.41Å; Y508-K512 PolarHBondContact OH-NZ 3.46Å; Y508-P581 HydrophobicContact CD1-CG 4.38Å; Y508-P581 HydrophobicContact CE1-CG 4.26Å
509	I	83.9	Confident	82.7	Confident	6 Å²	6	74.2 Å²	74.2	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-67.6	-43.6	177.7	-63	-177.5	0	0	0	111.2	Y254 M505 I506 Q511 K512 L513 L580	Y254-I509 HydrophobicContact CD1-CB 4.47Å; Y254-I509 HydrophobicContact CD1-CG2 3.72Å; Y254-I509 HydrophobicContact CG-CG2 4.17Å; M505-I509 HydrophobicContact CE-CD1 4.48Å; M505-I509 HydrophobicContact CG-CD1 4.49Å; M505-I509 PolarHBondContact O-N 2.73Å; M505-I509 HydrophobicContact SD-CD1 3.22Å; M505-I509 WeakPolarHBondContact SD-CD1 3.44Å; M505-I509 HydrophobicContact SD-CG1 3.81Å; I506-I509 PolarHBondContact O-N 3.22Å; I509-Q511 PolarHBondContact O-N 3.33Å; I509-K512 WeakPolarHBondContact O-CB 3.27Å; I509-K512 PolarHBondContact O-N 3.47Å; I509-L513 HydrophobicContact CG2-CD1 3.96Å; I509-L513 HydrophobicContact CG2-CG 4.16Å; I509-L513 WeakPolarHBondContact O-CG 3.25Å; I509-L513 PolarHBondContact O-N 3.29Å; I509-L580 HydrophobicContact CD1-CB 4.41Å; I509-L580 HydrophobicContact CD1-CD1 4.18Å; I509-L580 HydrophobicContact CD1-CD2 3.54Å; I509-L580 HydrophobicContact CD1-CG 4.26Å
510	E	83.7	Confident	81.2	Confident	89 Å²	89	73.1 Å²	73.1	42%	0.416	34%	0.339	S	S	.	.	H	α-helix	trans	-57.3	-39.5	176.1	-74.8	175.1	170.1	0	0	111.4	Y254 I506 R507 L513 A514	Y254-E510 HydrophobicContact CE1-CG 3.76Å; Y254-E510 PolarHBondContact OH-OE1 2.79Å; I506-E510 HydrophobicContact CG2-CG 4.41Å; I506-E510 WeakPolarHBondContact O-CB 3.5Å; I506-E510 WeakPolarHBondContact O-CG 3.37Å; I506-E510 PolarHBondContact O-N 3Å; R507-E510 PolarHBondContact O-N 2.81Å; E510-L513 PolarHBondContact O-N 3.43Å; E510-A514 WeakPolarHBondContact O-CB 3.38Å; E510-A514 PolarHBondContact O-N 3.29Å
511	Q	84.6	Confident	79.8	Confident	104 Å²	104	72.7 Å²	72.7	49%	0.486	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-44.3	172.9	-175.5	175.5	13.4	0	0	112.3	R507 Y508 I509 L513 A514 N515	R507-Q511 WeakPolarHBondContact O-CB 3.41Å; R507-Q511 PolarHBondContact O-N 2.95Å; Y508-Q511 WeakPolarHBondContact O-CB 3.35Å; Y508-Q511 PolarHBondContact O-N 3.41Å; I509-Q511 PolarHBondContact O-N 3.33Å; Q511-L513 VanDerWaalsContact C-N 3.31Å; Q511-L513 PolarHBondContact O-N 3.5Å; Q511-A514 PolarHBondContact O-N 3.28Å; Q511-N515 WeakPolarHBondContact O-CB 3.42Å; Q511-N515 VanDerWaalsContact O-CG 3.23Å; Q511-N515 PolarHBondContact O-N 3.06Å; Q511-N515 PolarHBondContact O-OD1 3.47Å
512	K	83.6	Confident	78.3	Confident	36 Å²	36	73 Å²	73	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-59.1	-43	175.1	-86.3	-169.7	163.2	174.5	0	112.1	F294 F296 Y508 I509 N515 F516	F294-K512 HydrophobicContact CD1-CD 4.13Å; F294-K512 HydrophobicContact CE1-CB 3.9Å; F294-K512 HydrophobicContact CE1-CD 4.01Å; F294-K512 HydrophobicContact CE1-CG 4.38Å; F294-K512 HydrophobicContact CE2-CB 4.48Å; F294-K512 HydrophobicContact CG-CD 4.45Å; F294-K512 HydrophobicContact CZ-CB 3.71Å; F294-K512 HydrophobicContact CZ-CD 4.23Å; F296-K512 PolarHBondContact O-NZ 2.99Å; Y508-K512 HydrophobicContact CD1-CD 4.48Å; Y508-K512 HydrophobicContact CE1-CD 3.76Å; Y508-K512 HydrophobicContact CE1-CG 4.38Å; Y508-K512 PolarHBondContact O-N 3.49Å; Y508-K512 WeakPolarHBondContact OH-CE 3.41Å; Y508-K512 PolarHBondContact OH-NZ 3.46Å; I509-K512 WeakPolarHBondContact O-CB 3.27Å; I509-K512 PolarHBondContact O-N 3.47Å; K512-N515 PolarHBondContact O-N 3.24Å; K512-F516 WeakPolarHBondContact O-CB 3.48Å; K512-F516 PolarHBondContact O-N 3.18Å
513	L	82	Confident	76.5	Confident	34 Å²	34	76.4 Å²	76.4	18%	0.178	37%	0.371	C	S	.	.	H	α-helix	trans	-64.5	-40.1	176.4	-69.7	173.2	0	0	0	111.6	Y254 A291 P292 F294 I509 E510 Q511 F516 Q517	Y254-L513 HydrophobicContact CD1-CD1 3.91Å; Y254-L513 HydrophobicContact CE1-CD1 4.38Å; A291-L513 HydrophobicContact CB-CD2 4.16Å; P292-L513 HydrophobicContact CG-CD2 3.95Å; F294-L513 HydrophobicContact CE2-CD2 4.42Å; F294-L513 HydrophobicContact CZ-CD2 4.22Å; I509-L513 HydrophobicContact CG2-CD1 3.96Å; I509-L513 HydrophobicContact CG2-CG 4.16Å; I509-L513 WeakPolarHBondContact O-CG 3.25Å; I509-L513 PolarHBondContact O-N 3.29Å; E510-L513 PolarHBondContact O-N 3.43Å; Q511-L513 VanDerWaalsContact C-N 3.31Å; Q511-L513 PolarHBondContact O-N 3.5Å; L513-F516 PolarHBondContact O-N 3.02Å; L513-Q517 WeakPolarHBondContact O-CG 3.44Å; L513-Q517 PolarHBondContact O-N 2.83Å; L513-Q517 VanDerWaalsContact O-N 3.14Å
514	A	79.4	Confident	75.1	Confident	50 Å²	50	70.5 Å²	70.5	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-64.4	-44.4	174.4	0	0	0	0	0	111.9	E510 Q511 F516 Q517 S518	E510-A514 WeakPolarHBondContact O-CB 3.38Å; E510-A514 PolarHBondContact O-N 3.29Å; Q511-A514 PolarHBondContact O-N 3.28Å; A514-F516 VanDerWaalsContact C-N 3.35Å; A514-F516 PolarHBondContact O-N 3.33Å; A514-Q517 PolarHBondContact O-N 2.88Å; A514-Q517 VanDerWaalsContact O-N 3.13Å; A514-S518 PolarHBondContact O-N 2.83Å; A514-S518 VanDerWaalsContact O-N 3.09Å; A514-S518 PolarHBondContact O-OG 2.89Å
515	N	82.3	Confident	73.8	Confident	67 Å²	67	76.5 Å²	76.5	36%	0.358	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-41.8	177.2	-69.2	-2.4	0	0	0	111.6	Q511 K512 Q517 S518 E519	Q511-N515 WeakPolarHBondContact O-CB 3.42Å; Q511-N515 VanDerWaalsContact O-CG 3.23Å; Q511-N515 PolarHBondContact O-N 3.06Å; Q511-N515 PolarHBondContact O-OD1 3.47Å; K512-N515 PolarHBondContact O-N 3.24Å; N515-Q517 VanDerWaalsContact C-N 3.29Å; N515-Q517 PolarHBondContact O-N 3.08Å; N515-S518 WeakPolarHBondContact CA-OG 3.43Å; N515-S518 PolarHBondContact O-N 2.93Å; N515-S518 PolarHBondContact O-OG 2.83Å; N515-S518 VanDerWaalsContact O-OG 3.1Å; N515-E519 WeakPolarHBondContact O-CB 3.43Å; N515-E519 PolarHBondContact O-N 2.86Å
516	F	79	Confident	72.9	Confident	35 Å²	35	78.8 Å²	78.8	15%	0.154	40%	0.402	C	S	.	.	H	α-helix	trans	-54.9	-46.9	172.4	169.4	-96.1	0	0	0	110.8	P292 K512 L513 A514 S518 Y520 Y529 P531	P292-F516 HydrophobicContact CB-CD2 4.12Å; P292-F516 HydrophobicContact CB-CE2 3.93Å; P292-F516 HydrophobicContact CB-CZ 4.21Å; P292-F516 HydrophobicContact CG-CD1 4.18Å; P292-F516 HydrophobicContact CG-CD2 4.09Å; P292-F516 HydrophobicContact CG-CE1 4.4Å; P292-F516 HydrophobicContact CG-CE2 4.3Å; P292-F516 HydrophobicContact CG-CG 4.04Å; P292-F516 HydrophobicContact CG-CZ 4.47Å; K512-F516 WeakPolarHBondContact O-CB 3.48Å; K512-F516 PolarHBondContact O-N 3.18Å; L513-F516 PolarHBondContact O-N 3.02Å; A514-F516 VanDerWaalsContact C-N 3.35Å; A514-F516 PolarHBondContact O-N 3.33Å; F516-S518 VanDerWaalsContact C-N 3.31Å; F516-S518 PolarHBondContact O-N 3.09Å; F516-Y520 AromaticContact CD2-CD2 3.99Å; F516-Y520 HydrophobicContact CD2-CD2 3.99Å; F516-Y520 AromaticContact CE2-CD2 3.38Å; F516-Y520 HydrophobicContact CE2-CD2 3.38Å; F516-Y520 AromaticContact CE2-CE2 3.75Å; F516-Y520 HydrophobicContact CE2-CE2 3.75Å; F516-Y520 HydrophobicContact CE2-CG 4.44Å; F516-Y520 AromaticContact CZ-CD2 3.91Å; F516-Y520 HydrophobicContact CZ-CD2 3.91Å; F516-Y520 HydrophobicContact CZ-CE2 4.23Å; F516-Y520 WeakPolarHBondContact O-CB 3.34Å; F516-Y520 PolarHBondContact O-N 3.47Å; F516-Y529 AromaticContact CD2-CD1 3.88Å; F516-Y529 HydrophobicContact CD2-CD1 3.88Å; F516-Y529 AromaticContact CD2-CD2 3.52Å; F516-Y529 HydrophobicContact CD2-CD2 3.52Å; F516-Y529 AromaticContact CD2-CE1 3.73Å; F516-Y529 HydrophobicContact CD2-CE1 3.73Å; F516-Y529 AromaticContact CD2-CE2 3.46Å; F516-Y529 HydrophobicContact CD2-CE2 3.46Å; F516-Y529 VanDerWaalsContact CD2-CE2 3.46Å; F516-Y529 AromaticContact CD2-CG 3.78Å; F516-Y529 HydrophobicContact CD2-CG 3.78Å; F516-Y529 AromaticContact CD2-CZ 3.51Å; F516-Y529 AromaticContact CE2-CD2 3.44Å; F516-Y529 HydrophobicContact CE2-CD2 3.44Å; F516-Y529 VanDerWaalsContact CE2-CD2 3.44Å; F516-Y529 AromaticContact CE2-CE2 3.43Å; F516-Y529 HydrophobicContact CE2-CE2 3.43Å; F516-Y529 VanDerWaalsContact CE2-CE2 3.43Å; F516-Y529 HydrophobicContact CE2-CG 4.12Å; F516-Y529 AromaticContact CE2-CZ 3.95Å; F516-P531 HydrophobicContact CE2-CB 4.45Å; F516-P531 HydrophobicContact CZ-CB 4.19Å
517	Q	73.2	Confident	72.4	Confident	138 Å²	138	79.4 Å²	79.4	65%	0.645	40%	0.404	S	S	*	.	H	α-helix	trans	-66.9	-26.7	179.3	-68.2	179.2	12	0	0	114.3	L513 A514 N515	L513-Q517 WeakPolarHBondContact O-CG 3.44Å; L513-Q517 PolarHBondContact O-N 2.83Å; L513-Q517 VanDerWaalsContact O-N 3.14Å; A514-Q517 PolarHBondContact O-N 2.88Å; A514-Q517 VanDerWaalsContact O-N 3.13Å; N515-Q517 VanDerWaalsContact C-N 3.29Å; N515-Q517 PolarHBondContact O-N 3.08Å
518	S	70.3	Confident	72.1	Confident	89 Å²	89	77 Å²	77	62%	0.622	40%	0.398	S	S	*	.	H	α-helix	trans	-94	-32.6	-178.6	57.1	0	0	0	0	114.6	A514 N515 F516	A514-S518 PolarHBondContact O-N 2.83Å; A514-S518 VanDerWaalsContact O-N 3.09Å; A514-S518 PolarHBondContact O-OG 2.89Å; N515-S518 WeakPolarHBondContact CA-OG 3.43Å; N515-S518 PolarHBondContact O-N 2.93Å; N515-S518 PolarHBondContact O-OG 2.83Å; N515-S518 VanDerWaalsContact O-OG 3.1Å; F516-S518 VanDerWaalsContact C-N 3.31Å; F516-S518 PolarHBondContact O-N 3.09Å
519	E	64.1	Low	72.1	Confident	133 Å²	133	76.9 Å²	76.9	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-109.6	2.1	-170.5	-65.1	-176.6	171.6	0	0	113.9	N515 K521	N515-E519 WeakPolarHBondContact O-CB 3.43Å; N515-E519 PolarHBondContact O-N 2.86Å; E519-K521 PolarHBondContact O-N 3.31Å
520	Y	57.7	Low	72.3	Confident	69 Å²	69	76.6 Å²	76.6	27%	0.271	40%	0.396	S	S	.	.			trans	-58	101.4	-179.7	-168.7	-91.4	0	0	0	112	D328 F516 P522 Y529 P531	D328-Y520 PolarHBondContact OD1-OH 3.44Å; F516-Y520 AromaticContact CD2-CD2 3.99Å; F516-Y520 HydrophobicContact CD2-CD2 3.99Å; F516-Y520 AromaticContact CE2-CD2 3.38Å; F516-Y520 HydrophobicContact CE2-CD2 3.38Å; F516-Y520 AromaticContact CE2-CE2 3.75Å; F516-Y520 HydrophobicContact CE2-CE2 3.75Å; F516-Y520 HydrophobicContact CE2-CG 4.44Å; F516-Y520 AromaticContact CZ-CD2 3.91Å; F516-Y520 HydrophobicContact CZ-CD2 3.91Å; F516-Y520 HydrophobicContact CZ-CE2 4.23Å; F516-Y520 WeakPolarHBondContact O-CB 3.34Å; F516-Y520 PolarHBondContact O-N 3.47Å; Y520-P522 HydrophobicContact CE1-CB 3.98Å; Y520-P522 HydrophobicContact CE1-CG 3.89Å; Y520-Y529 VanDerWaalsContact CA-OH 3.3Å; Y520-Y529 WeakPolarHBondContact CA-OH 3.34Å; Y520-Y529 HydrophobicContact CD2-CD2 4.24Å; Y520-Y529 AromaticContact CD2-CE2 3.19Å; Y520-Y529 HydrophobicContact CD2-CE2 3.19Å; Y520-Y529 AromaticContact CD2-CZ 3.59Å; Y520-Y529 VanDerWaalsContact CD2-OH 3.25Å; Y520-Y529 WeakPolarHBondContact CD2-OH 3.07Å; Y520-Y529 HydrophobicContact CE2-CD2 4.11Å; Y520-Y529 AromaticContact CE2-CE2 3.32Å; Y520-Y529 HydrophobicContact CE2-CE2 3.32Å; Y520-Y529 HydrophobicContact CG-CE2 4.42Å; Y520-P531 HydrophobicContact CE2-CB 4.05Å; Y520-P531 HydrophobicContact CE2-CG 4.31Å; Y520-P531 WeakPolarHBondContact OH-CG 3.06Å
521	K	58.9	Low	72.6	Confident	170 Å²	170	72.9 Å²	72.9	74%	0.739	38%	0.379	S	S	*	.			trans	-120.6	111.8	163.8	-68.7	-173.7	-179.2	-178.1	0	106.3	E519 T523	E519-K521 PolarHBondContact O-N 3.31Å; K521-T523 PolarHBondContact O-N 3.3Å; K521-T523 VanDerWaalsContact O-N 3.13Å
522	P	55.6	Low	72.7	Confident	21 Å²	21	69.9 Å²	69.9	14%	0.136	37%	0.369	C	S	.	.	S	Bend	trans	-65.7	-13.7	179.3	19.1	-24.7	0	0	0	113.1	D328 Y330 Y520 G524	D328-P522 WeakPolarHBondContact OD2-CB 3.12Å; Y330-P522 HydrophobicContact CD2-CG 4.05Å; Y330-P522 HydrophobicContact CE2-CB 4.47Å; Y330-P522 HydrophobicContact CE2-CG 3.47Å; Y330-P522 VanDerWaalsContact CE2-CG 3.47Å; Y520-P522 HydrophobicContact CE1-CB 3.98Å; Y520-P522 HydrophobicContact CE1-CG 3.89Å; P522-G524 PolarHBondContact O-N 3.46Å
523	T	50.7	Low	72.9	Confident	123 Å²	123	68.6 Å²	68.6	76%	0.755	37%	0.366	S	S	*	.			trans	-93.8	77.5	-179	50.3	0	0	0	0	111.6	K521	K521-T523 PolarHBondContact O-N 3.3Å; K521-T523 VanDerWaalsContact O-N 3.13Å
524	G	56.5	Low	73.3	Confident	35 Å²	35	67.9 Å²	67.9	36%	0.361	36%	0.363	S	S	.	.			trans	-140.2	144.7	169.1	0	0	0	0	0	111.4	P522 I526	P522-G524 PolarHBondContact O-N 3.46Å; G524-I526 PolarHBondContact O-N 2.88Å; G524-I526 VanDerWaalsContact O-N 3.09Å
525	N	61.9	Low	73.9	Confident	173 Å²	173	69.3 Å²	69.3	93%	0.925	36%	0.364	S	S	*	.	S	Bend	trans	-63.6	-11.9	177.3	-79	4.9	0	0	0	113.7
526	I	66.4	Low	74.5	Confident	49 Å²	49	66.4 Å²	66.4	25%	0.251	35%	0.349	S	S	.	.	S	Bend	trans	-132.4	110	-177.9	-64.6	166.5	0	0	0	108.7	F296 V344 I347 G524 K528	F296-I526 HydrophobicContact CZ-CG2 4.38Å; V344-I526 HydrophobicContact CG2-CD1 4.21Å; V344-I526 HydrophobicContact CG2-CG2 3.6Å; I347-I526 HydrophobicContact CD1-CD1 3.15Å; G524-I526 PolarHBondContact O-N 2.88Å; G524-I526 VanDerWaalsContact O-N 3.09Å; I526-K528 PolarHBondContact O-N 3.33Å
527	F	74.3	Confident	75.3	Confident	38 Å²	38	66.7 Å²	66.7	17%	0.167	35%	0.35	C	S	.	.			trans	-79.1	107.3	177.7	-63.7	-72.2	0	0	0	110.7	L295 F296 W326 Q334 Y529	L295-F527 HydrophobicContact CD1-CB 4.29Å; F296-F527 WeakPolarHBondContact CE2-O 3.47Å; W326-F527 HydrophobicContact CH2-CB 3.84Å; W326-F527 AromaticContact CH2-CD1 3.97Å; W326-F527 HydrophobicContact CH2-CD1 3.97Å; W326-F527 AromaticContact CH2-CD2 3.98Å; W326-F527 HydrophobicContact CH2-CD2 3.98Å; W326-F527 AromaticContact CH2-CG 3.63Å; W326-F527 HydrophobicContact CH2-CG 3.63Å; W326-F527 HydrophobicContact CZ2-CB 4.33Å; W326-F527 AromaticContact CZ2-CD1 3.73Å; W326-F527 HydrophobicContact CZ2-CD1 3.73Å; W326-F527 HydrophobicContact CZ2-CD2 4.48Å; W326-F527 HydrophobicContact CZ2-CE1 4.21Å; W326-F527 AromaticContact CZ2-CG 3.91Å; W326-F527 HydrophobicContact CZ2-CG 3.91Å; Q334-F527 HydrophobicContact CB-CZ 4.33Å; Q334-F527 HydrophobicContact CG-CE1 4.28Å; Q334-F527 HydrophobicContact CG-CZ 4.15Å; F527-Y529 VanDerWaalsContact C-N 3.32Å
528	K	79.5	Confident	76.4	Confident	117 Å²	117	60.2 Å²	60.2	51%	0.509	32%	0.32	S	S	.	.			trans	-76.3	-21.2	177.9	-66.6	-172.2	178.3	-170.8	0	113.7	L295 I526	L295-K528 PolarHBondContact N-O 3.04Å; I526-K528 PolarHBondContact O-N 3.33Å
529	Y	85.6	Confident	77.6	Confident	38 Å²	38	57.5 Å²	57.5	15%	0.149	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	163.7	-176.3	48.3	-106.5	0	0	0	110.6	L293 F516 Y520 F527	L293-Y529 CarbonylContact O-C 3.56Å; L293-Y529 WeakPolarHBondContact O-CA 3.21Å; L293-Y529 WeakPolarHBondContact O-CB 3.15Å; F516-Y529 AromaticContact CD2-CD1 3.88Å; F516-Y529 HydrophobicContact CD2-CD1 3.88Å; F516-Y529 AromaticContact CD2-CD2 3.52Å; F516-Y529 HydrophobicContact CD2-CD2 3.52Å; F516-Y529 AromaticContact CD2-CE1 3.73Å; F516-Y529 HydrophobicContact CD2-CE1 3.73Å; F516-Y529 AromaticContact CD2-CE2 3.46Å; F516-Y529 HydrophobicContact CD2-CE2 3.46Å; F516-Y529 VanDerWaalsContact CD2-CE2 3.46Å; F516-Y529 AromaticContact CD2-CG 3.78Å; F516-Y529 HydrophobicContact CD2-CG 3.78Å; F516-Y529 AromaticContact CD2-CZ 3.51Å; F516-Y529 AromaticContact CE2-CD2 3.44Å; F516-Y529 HydrophobicContact CE2-CD2 3.44Å; F516-Y529 VanDerWaalsContact CE2-CD2 3.44Å; F516-Y529 AromaticContact CE2-CE2 3.43Å; F516-Y529 HydrophobicContact CE2-CE2 3.43Å; F516-Y529 VanDerWaalsContact CE2-CE2 3.43Å; F516-Y529 HydrophobicContact CE2-CG 4.12Å; F516-Y529 AromaticContact CE2-CZ 3.95Å; Y520-Y529 VanDerWaalsContact CA-OH 3.3Å; Y520-Y529 WeakPolarHBondContact CA-OH 3.34Å; Y520-Y529 HydrophobicContact CD2-CD2 4.24Å; Y520-Y529 AromaticContact CD2-CE2 3.19Å; Y520-Y529 HydrophobicContact CD2-CE2 3.19Å; Y520-Y529 AromaticContact CD2-CZ 3.59Å; Y520-Y529 VanDerWaalsContact CD2-OH 3.25Å; Y520-Y529 WeakPolarHBondContact CD2-OH 3.07Å; Y520-Y529 HydrophobicContact CE2-CD2 4.11Å; Y520-Y529 AromaticContact CE2-CE2 3.32Å; Y520-Y529 HydrophobicContact CE2-CE2 3.32Å; Y520-Y529 HydrophobicContact CG-CE2 4.42Å; F527-Y529 VanDerWaalsContact C-N 3.32Å
530	I	90.1	Very high	79	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.7	165.6	-47.9	-176.1	0	0	0	108.1	L288 P292 L293 L295 A324 W326 V534 V536	L288-I530 HydrophobicContact CD1-CB 3.95Å; L288-I530 HydrophobicContact CD1-CG2 3.6Å; P292-I530 CarbonylContact C-O 3.55Å; P292-I530 VanDerWaalsContact CA-O 3.26Å; P292-I530 WeakPolarHBondContact CA-O 3.23Å; P292-I530 VanDerWaalsContact CB-O 3.32Å; P292-I530 WeakPolarHBondContact CB-O 3.46Å; L293-I530 HydrophobicContact CB-CB 4.18Å; L293-I530 HydrophobicContact CD2-CD1 4.06Å; L293-I530 PolarHBondContact N-O 2.92Å; L293-I530 PolarHBondContact O-N 3.48Å; L295-I530 HydrophobicContact CD1-CD1 4.42Å; L295-I530 HydrophobicContact CD1-CG1 3.82Å; L295-I530 HydrophobicContact CD2-CD1 4.21Å; L295-I530 HydrophobicContact CD2-CG1 4.22Å; L295-I530 HydrophobicContact CG-CG1 4.18Å; A324-I530 HydrophobicContact CB-CD1 3.64Å; W326-I530 HydrophobicContact CB-CG2 4.44Å; W326-I530 HydrophobicContact CD2-CD1 4.33Å; W326-I530 HydrophobicContact CD2-CG1 4.35Å; W326-I530 HydrophobicContact CD2-CG2 3.83Å; W326-I530 HydrophobicContact CE3-CD1 3.73Å; W326-I530 HydrophobicContact CE3-CG1 4.04Å; W326-I530 HydrophobicContact CE3-CG2 4.29Å; W326-I530 HydrophobicContact CG-CG2 3.9Å; W326-I530 HydrophobicContact CH2-CG1 4.19Å; W326-I530 HydrophobicContact CZ2-CG1 4.47Å; W326-I530 HydrophobicContact CZ3-CD1 3.91Å; W326-I530 HydrophobicContact CZ3-CG1 3.96Å; I530-V534 HydrophobicContact CG2-CG2 3.76Å; I530-V536 HydrophobicContact CG2-CG1 4.04Å
531	P	88.5	Confident	80.4	Confident	11 Å²	11	52.7 Å²	52.7	7%	0.071	27%	0.274	C	S	.	.			trans	-63	152.2	177.1	29.7	-38	0	0	0	111.6	F516 Y520 V534	F516-P531 HydrophobicContact CE2-CB 4.45Å; F516-P531 HydrophobicContact CZ-CB 4.19Å; Y520-P531 HydrophobicContact CE2-CB 4.05Å; Y520-P531 HydrophobicContact CE2-CG 4.31Å; Y520-P531 WeakPolarHBondContact OH-CG 3.06Å; P531-V534 HydrophobicContact CG-CG1 3.96Å; P531-V534 HydrophobicContact CG-CG2 4.32Å; P531-V534 WeakPolarHBondContact O-CG2 3.14Å
532	P	87.2	Confident	81.8	Confident	42 Å²	42	47.6 Å²	47.6	27%	0.273	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	159	168.8	32.7	-34.8	0	0	0	111	G290	G290-P532 WeakPolarHBondContact O-CB 3.25Å
533	G	87.6	Confident	83.4	Confident	9 Å²	9	46.8 Å²	46.8	9%	0.093	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-2.6	176	0	0	0	0	0	115.4	E71 L288	E71-G533 WeakPolarHBondContact O-CA 3.5Å; L288-G533 WeakPolarHBondContact O-CA 3.47Å; L288-G533 PolarHBondContact O-N 3.06Å
534	V	90.7	Very high	85.3	Confident	18 Å²	18	43.3 Å²	43.3	11%	0.109	23%	0.234	C	C	.	.	S	Bend	trans	-96.6	148.8	176	-57.2	0	0	0	0	111.3	L288 W326 I530 P531 V536	L288-V534 PolarHBondContact N-O 2.88Å; W326-V534 HydrophobicContact CB-CG2 4.17Å; W326-V534 HydrophobicContact CG-CG2 4.31Å; I530-V534 HydrophobicContact CG2-CG2 3.76Å; P531-V534 HydrophobicContact CG-CG1 3.96Å; P531-V534 HydrophobicContact CG-CG2 4.32Å; P531-V534 WeakPolarHBondContact O-CG2 3.14Å; V534-V536 HydrophobicContact CG2-CG1 3.73Å
535	D	91.9	Very high	86.8	Confident	81 Å²	81	45.2 Å²	45.2	43%	0.433	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129.1	170.8	-62.8	-42.6	0	0	0	108.7	R287	R287-D535 VanDerWaalsContact CB-OD1 3.28Å; R287-D535 WeakPolarHBondContact CB-OD1 3.41Å; R287-D535 IonicContact CZ-OD1 3.62Å; R287-D535 IonicContact CZ-OD2 3.82Å; R287-D535 IonicContact NE-OD1 3.49Å; R287-D535 PolarHBondContact NE-OD1 2.66Å; R287-D535 IonicContact NE-OD2 3.82Å; R287-D535 IonicContact NH2-OD1 2.67Å; R287-D535 PolarHBondContact NH2-OD1 2.85Å; R287-D535 IonicContact NH2-OD2 3.69Å; R287-D535 PolarHBondContact NH2-OD2 3.19Å
536	V	94.6	Very high	88	Confident	6 Å²	6	42 Å²	42	4%	0.036	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.9	-173.5	-54.5	0	0	0	0	112.2	L258 R285 G286 L288 K325 W326 I530 V534 L538	L258-V536 HydrophobicContact CD1-CG2 3.41Å; L258-V536 VanDerWaalsContact CD1-CG2 3.41Å; R285-V536 VanDerWaalsContact CA-O 3.27Å; R285-V536 WeakPolarHBondContact CA-O 3.03Å; G286-V536 PolarHBondContact N-O 2.76Å; G286-V536 WeakPolarHBondContact O-CG2 3.33Å; G286-V536 PolarHBondContact O-N 2.84Å; L288-V536 HydrophobicContact CD1-CB 4.4Å; L288-V536 HydrophobicContact CD1-CG1 3.44Å; L288-V536 VanDerWaalsContact CD1-CG1 3.44Å; L288-V536 HydrophobicContact CD1-CG2 4.13Å; L288-V536 HydrophobicContact CD2-CG2 3.88Å; L288-V536 HydrophobicContact CG-CB 4.33Å; L288-V536 HydrophobicContact CG-CG1 3.66Å; L288-V536 HydrophobicContact CG-CG2 3.64Å; K325-V536 CarbonylContact O-C 3.57Å; K325-V536 VanDerWaalsContact O-CA 3.31Å; K325-V536 WeakPolarHBondContact O-CA 3.49Å; W326-V536 HydrophobicContact CB-CB 4.36Å; W326-V536 HydrophobicContact CB-CG1 3.72Å; I530-V536 HydrophobicContact CG2-CG1 4.04Å; V534-V536 HydrophobicContact CG2-CG1 3.73Å; V536-L538 HydrophobicContact CB-CD2 4.41Å; V536-L538 HydrophobicContact CG2-CD1 4.39Å; V536-L538 HydrophobicContact CG2-CD2 4.03Å; V536-L538 HydrophobicContact CG2-CG 3.94Å
537	E	95.6	Very high	89.2	Confident	40 Å²	40	40.8 Å²	40.8	19%	0.187	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.9	166.8	-179.9	176.8	-130.1	0	0	107.9	C283 L284 R285 A324 K325	C283-E537 WeakPolarHBondContact SG-CG 2.77Å; C283-E537 PolarHBondContact SG-OE1 2.92Å; L284-E537 CarbonylContact O-C 3.5Å; L284-E537 WeakPolarHBondContact O-CA 3.49Å; R285-E537 HydrophobicContact CG-CB 4.19Å; R285-E537 HydrophobicContact CG-CG 4.09Å; R285-E537 IonicContact CZ-OE1 3.5Å; R285-E537 VanDerWaalsContact CZ-OE1 3.29Å; R285-E537 IonicContact NE-OE1 2.79Å; R285-E537 PolarHBondContact NE-OE1 2.96Å; R285-E537 IonicContact NH2-OE1 3.44Å; R285-E537 PolarHBondContact NH2-OE1 2.68Å; A324-E537 CarbonylContact C-O 3.57Å; A324-E537 VanDerWaalsContact CA-O 3.28Å; A324-E537 WeakPolarHBondContact CA-O 3.12Å; K325-E537 HydrophobicContact CB-CB 4.3Å; K325-E537 WeakPolarHBondContact CD-OE2 3.39Å; K325-E537 WeakPolarHBondContact CE-OE2 3.19Å; K325-E537 PolarHBondContact N-O 2.77Å; K325-E537 IonicContact NZ-OE2 3.98Å; K325-E537 PolarHBondContact NZ-OE2 3.19Å; K325-E537 PolarHBondContact O-N 2.94Å
538	L	96	Very high	90	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.4	-178.9	-57.4	-178.9	0	0	0	109.5	L258 C283 L284 L293 L321 A324 V536 V576	L258-L538 HydrophobicContact CD1-CD1 4.38Å; C283-L538 CarbonylContact C-O 3.44Å; C283-L538 WeakPolarHBondContact CA-O 3.34Å; L284-L538 PolarHBondContact N-O 3.2Å; L284-L538 PolarHBondContact O-N 3.04Å; L293-L538 HydrophobicContact CD2-CD2 4.28Å; L321-L538 HydrophobicContact CD1-CB 3.79Å; L321-L538 HydrophobicContact CD1-CD2 3.94Å; L321-L538 HydrophobicContact CD1-CG 4.35Å; L321-L538 HydrophobicContact CD2-CD2 4.37Å; A324-L538 HydrophobicContact CB-CD2 3.85Å; V536-L538 HydrophobicContact CB-CD2 4.41Å; V536-L538 HydrophobicContact CG2-CD1 4.39Å; V536-L538 HydrophobicContact CG2-CD2 4.03Å; V536-L538 HydrophobicContact CG2-CG 3.94Å; L538-V576 HydrophobicContact CD1-CG1 4.39Å
539	L	95.6	Very high	90.5	Very high	32 Å²	32	37.9 Å²	37.9	17%	0.168	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.1	177.2	-168.2	69.6	0	0	0	110.5	I266 A281 C283 I322 E323	I266-L539 HydrophobicContact CD1-CD1 3.95Å; A281-L539 HydrophobicContact CB-CD1 3.75Å; A281-L539 HydrophobicContact CB-CG 4.19Å; C283-L539 HydrophobicContact CB-CD1 4.08Å; I322-L539 PolarHBondContact N-O 3.27Å; E323-L539 HydrophobicContact CB-CB 3.91Å; E323-L539 HydrophobicContact CB-CD2 4.11Å; E323-L539 PolarHBondContact N-O 3Å; E323-L539 PolarHBondContact O-N 3.47Å
540	L	94.1	Very high	90.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.2	-178.5	-49.9	-176.7	0	0	0	110.5	A281 V282 L284 V311 L313 F319 P320 L321 V543	A281-L540 WeakPolarHBondContact CA-O 2.87Å; V282-L540 HydrophobicContact CB-CB 4.39Å; V282-L540 PolarHBondContact N-O 2.58Å; V282-L540 PolarHBondContact O-N 3.02Å; L284-L540 HydrophobicContact CD1-CD1 3.59Å; L284-L540 HydrophobicContact CD1-CG 4.38Å; L284-L540 HydrophobicContact CG-CD1 4.35Å; V311-L540 HydrophobicContact CG2-CD1 3.91Å; V311-L540 HydrophobicContact CG2-CD2 3.4Å; V311-L540 VanDerWaalsContact CG2-CD2 3.4Å; V311-L540 HydrophobicContact CG2-CG 4.31Å; L313-L540 HydrophobicContact CD1-CD1 4Å; L313-L540 HydrophobicContact CD2-CD1 4.32Å; L313-L540 HydrophobicContact CG-CD1 4.33Å; F319-L540 HydrophobicContact CB-CB 4.19Å; F319-L540 HydrophobicContact CB-CD1 4.05Å; F319-L540 HydrophobicContact CG-CD1 4.5Å; P320-L540 WeakPolarHBondContact O-CA 3.34Å; L321-L540 HydrophobicContact CB-CD2 4.35Å; L321-L540 HydrophobicContact CD1-CD2 3.9Å; L540-V543 HydrophobicContact CB-CG2 4.45Å
541	R	88	Confident	90.8	Very high	102 Å²	102	38.2 Å²	38.2	39%	0.385	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	147.4	176.8	169.8	-172.3	92.4	164.8	3.1	110.8	E268 A281 P320 I322	E268-R541 IonicContact OE2-NH1 3.71Å; A281-R541 HydrophobicContact CB-CB 4.18Å; P320-R541 VanDerWaalsContact CG-O 3.24Å; P320-R541 WeakPolarHBondContact CG-O 3.47Å; P320-R541 PolarHBondContact O-N 3.43Å; I322-R541 HydrophobicContact CD1-CB 3.7Å; I322-R541 HydrophobicContact CD1-CG 3.93Å; I322-R541 VanDerWaalsContact CD1-NE 3.35Å; I322-R541 VanDerWaalsContact CD1-O 3.24Å; I322-R541 WeakPolarHBondContact CD1-O 3.35Å; I322-R541 HydrophobicContact CG1-CB 4.4Å; I322-R541 WeakPolarHBondContact CG1-O 3.25Å
542	P	86.8	Confident	90.9	Very high	62 Å²	62	40 Å²	40	40%	0.403	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.5	147.5	-2.8	32.7	-35.1	0	0	0	113.2	E279	E279-P542 HydrophobicContact CG-CB 4.18Å; E279-P542 WeakPolarHBondContact OE1-CB 3.29Å; E279-P542 VanDerWaalsContact OE2-CB 3.3Å; E279-P542 WeakPolarHBondContact OE2-CB 3.45Å
543	V	89.6	Confident	90.9	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.024	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.7	168.5	-173.4	0	0	0	0	106.1	E279 V280 V282 F319 L540 L547	E279-V543 CarbonylContact C-O 3.59Å; E279-V543 WeakPolarHBondContact CA-O 3.41Å; V280-V543 HydrophobicContact CG2-CB 4.44Å; V280-V543 PolarHBondContact N-O 2.78Å; V280-V543 PolarHBondContact O-N 2.83Å; V282-V543 HydrophobicContact CB-CG2 4.37Å; V282-V543 HydrophobicContact CG2-CB 3.93Å; V282-V543 HydrophobicContact CG2-CG1 3.86Å; V282-V543 HydrophobicContact CG2-CG2 3.75Å; F319-V543 HydrophobicContact CD1-CG2 3.78Å; F319-V543 HydrophobicContact CE1-CG1 4.14Å; F319-V543 HydrophobicContact CE1-CG2 4.09Å; L540-V543 HydrophobicContact CB-CG2 4.45Å; V543-L547 HydrophobicContact CG1-CB 4.23Å; V543-L547 HydrophobicContact CG1-CD2 4.14Å; V543-L547 HydrophobicContact CG1-CG 4.2Å
544	S	89.7	Confident	90.9	Very high	51 Å²	51	42.2 Å²	42.2	36%	0.357	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	147.1	174.6	57.3	0	0	0	0	110.3	D546 L547 G548	S544-D546 PolarHBondContact O-N 3.34Å; S544-L547 PolarHBondContact O-N 3.25Å; S544-L547 WeakPolarHBondContact OG-CB 3.46Å; S544-G548 PolarHBondContact O-N 3.48Å
545	R	88.3	Confident	90.8	Very high	74 Å²	74	41.8 Å²	41.8	28%	0.279	22%	0.221	S	C	.	.	H	α-helix	trans	-53.9	-51.8	-179	-177.7	174.6	-62.2	-77.4	-2.9	111.8	S267 E277 S278 V280 L547 G548 E549	S267-R545 PolarHBondContact OG-NH2 2.84Å; S267-R545 VanDerWaalsContact OG-NH2 3.1Å; E277-R545 PolarHBondContact O-NE 3.1Å; E277-R545 PolarHBondContact O-NH2 2.78Å; S278-R545 PolarHBondContact O-N 3.43Å; V280-R545 HydrophobicContact CG1-CB 4.09Å; V280-R545 HydrophobicContact CG1-CG 4.11Å; R545-L547 VanDerWaalsContact C-N 3.28Å; R545-L547 PolarHBondContact O-N 2.71Å; R545-G548 PolarHBondContact O-N 3.16Å; R545-G548 VanDerWaalsContact O-N 3.12Å; R545-E549 WeakPolarHBondContact CG-OE1 3.49Å; R545-E549 WeakPolarHBondContact O-CG 3.28Å; R545-E549 PolarHBondContact O-N 2.87Å
546	D	88.1	Confident	90.5	Very high	106 Å²	106	39.6 Å²	39.6	57%	0.567	21%	0.21	S	C	*	.	H	α-helix	trans	-58.5	-41	-179.7	-52.7	-14.8	0	0	0	111.9	S544 S550	S544-D546 PolarHBondContact O-N 3.34Å; D546-S550 VanDerWaalsContact O-CB 3.25Å; D546-S550 WeakPolarHBondContact O-CB 3.5Å; D546-S550 PolarHBondContact O-N 3.34Å
547	L	90.4	Very high	89.5	Confident	24 Å²	24	43.4 Å²	43.4	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-43.3	177.5	-175.6	63	0	0	0	111.3	W316 F319 V543 S544 R545 S550 I551 V864	W316-L547 HydrophobicContact CE3-CD1 3.63Å; W316-L547 HydrophobicContact CZ3-CD1 3.85Å; F319-L547 HydrophobicContact CE1-CD2 3.87Å; F319-L547 HydrophobicContact CZ-CD2 3.9Å; V543-L547 HydrophobicContact CG1-CB 4.23Å; V543-L547 HydrophobicContact CG1-CD2 4.14Å; V543-L547 HydrophobicContact CG1-CG 4.2Å; S544-L547 PolarHBondContact O-N 3.25Å; S544-L547 WeakPolarHBondContact OG-CB 3.46Å; R545-L547 VanDerWaalsContact C-N 3.28Å; R545-L547 PolarHBondContact O-N 2.71Å; L547-S550 PolarHBondContact O-N 3.06Å; L547-I551 HydrophobicContact CG-CD1 4.17Å; L547-I551 WeakPolarHBondContact O-CG1 3.24Å; L547-I551 PolarHBondContact O-N 3.38Å; L547-V864 HydrophobicContact CD1-CG1 4.09Å; L547-V864 HydrophobicContact CD1-CG2 3.72Å
548	G	91.1	Very high	88.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-45.5	176	0	0	0	0	0	112.2	S544 R545 I551 L552	S544-G548 PolarHBondContact O-N 3.48Å; R545-G548 PolarHBondContact O-N 3.16Å; R545-G548 VanDerWaalsContact O-N 3.12Å; G548-I551 PolarHBondContact O-N 3.32Å; G548-L552 WeakPolarHBondContact O-CB 3.46Å; G548-L552 PolarHBondContact O-N 2.94Å
549	E	90.6	Very high	86.5	Confident	94 Å²	94	49.9 Å²	49.9	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-66.2	-37.1	176.2	-71	175.5	-172.2	0	0	112.2	L265 R545 L552 S553	L265-E549 HydrophobicContact CD1-CB 4.44Å; L265-E549 HydrophobicContact CD1-CG 3.77Å; R545-E549 WeakPolarHBondContact CG-OE1 3.49Å; R545-E549 WeakPolarHBondContact O-CG 3.28Å; R545-E549 PolarHBondContact O-N 2.87Å; E549-L552 PolarHBondContact O-N 3.12Å; E549-S553 WeakPolarHBondContact O-CB 3.4Å; E549-S553 PolarHBondContact O-N 2.93Å; E549-S553 PolarHBondContact O-OG 2.99Å
550	S	90.3	Very high	84.6	Confident	43 Å²	43	54.6 Å²	54.6	30%	0.301	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-42.7	173	-166.9	0	0	0	0	112.1	W316 D546 L547 S553 H554	W316-S550 WeakPolarHBondContact CH2-O 3.32Å; W316-S550 VanDerWaalsContact CH2-OG 3.29Å; W316-S550 WeakPolarHBondContact CH2-OG 3.47Å; W316-S550 WeakPolarHBondContact CZ3-OG 3.33Å; D546-S550 VanDerWaalsContact O-CB 3.25Å; D546-S550 WeakPolarHBondContact O-CB 3.5Å; D546-S550 PolarHBondContact O-N 3.34Å; L547-S550 PolarHBondContact O-N 3.06Å; S550-S553 WeakPolarHBondContact CA-OG 3.36Å; S550-S553 PolarHBondContact O-OG 3.44Å; S550-S553 VanDerWaalsContact O-OG 3.1Å; S550-H554 WeakPolarHBondContact O-CB 3.39Å; S550-H554 PolarHBondContact O-N 3.15Å
551	I	91.7	Very high	82.8	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-46.7	174.9	-63.7	160.8	0	0	0	109.8	I263 L313 W316 F319 L547 G548 H555 L574	I263-I551 HydrophobicContact CD1-CB 4.35Å; I263-I551 HydrophobicContact CD1-CG2 3.48Å; I263-I551 VanDerWaalsContact CD1-CG2 3.48Å; L313-I551 HydrophobicContact CD1-CD1 4.34Å; W316-I551 HydrophobicContact CD2-CB 4.43Å; W316-I551 HydrophobicContact CD2-CD1 4.29Å; W316-I551 HydrophobicContact CD2-CG1 3.39Å; W316-I551 HydrophobicContact CE3-CD1 4.22Å; W316-I551 HydrophobicContact CE3-CG1 3.37Å; W316-I551 HydrophobicContact CG-CD1 4.45Å; W316-I551 HydrophobicContact CG-CG1 3.92Å; W316-I551 HydrophobicContact CH2-CB 4.44Å; W316-I551 HydrophobicContact CH2-CG1 4.02Å; W316-I551 HydrophobicContact CZ2-CB 4.33Å; W316-I551 HydrophobicContact CZ2-CG1 4.06Å; W316-I551 HydrophobicContact CZ3-CG1 3.69Å; F319-I551 HydrophobicContact CZ-CD1 4.45Å; L547-I551 HydrophobicContact CG-CD1 4.17Å; L547-I551 WeakPolarHBondContact O-CG1 3.24Å; L547-I551 PolarHBondContact O-N 3.38Å; G548-I551 PolarHBondContact O-N 3.32Å; I551-H555 WeakPolarHBondContact O-CB 3.42Å; I551-H555 PolarHBondContact O-CD2 3.35Å; I551-H555 VanDerWaalsContact O-CD2 3.27Å; I551-H555 PolarHBondContact O-N 2.8Å; I551-L574 HydrophobicContact CG2-CD2 4.04Å
552	L	91.3	Very high	81.2	Confident	49 Å²	49	63 Å²	63	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-58.6	-59.6	179.6	-176.6	68	0	0	0	110	I263 L265 G548 E549 H554 H555 T556	I263-L552 HydrophobicContact CB-CD1 4.3Å; I263-L552 HydrophobicContact CG1-CD1 4.09Å; I263-L552 HydrophobicContact CG2-CD1 3.54Å; L265-L552 HydrophobicContact CD1-CB 4.07Å; L265-L552 HydrophobicContact CD1-CD2 3.71Å; L265-L552 HydrophobicContact CD1-CG 4.48Å; L265-L552 HydrophobicContact CG-CB 4.34Å; L265-L552 HydrophobicContact CG-CD2 3.99Å; G548-L552 WeakPolarHBondContact O-CB 3.46Å; G548-L552 PolarHBondContact O-N 2.94Å; E549-L552 PolarHBondContact O-N 3.12Å; L552-H554 VanDerWaalsContact C-N 3.31Å; L552-H554 PolarHBondContact O-N 3.39Å; L552-H555 CarbonylContact O-C 3.57Å; L552-H555 PolarHBondContact O-N 3.5Å; L552-H555 VanDerWaalsContact O-N 3.12Å; L552-T556 HydrophobicContact CD1-CG2 3.52Å; L552-T556 HydrophobicContact CG-CG2 4.11Å; L552-T556 WeakPolarHBondContact O-CB 3.28Å; L552-T556 WeakPolarHBondContact O-CG2 3.14Å; L552-T556 PolarHBondContact O-N 3.33Å; L552-T556 PolarHBondContact O-OG1 3.33Å
553	S	87.3	Confident	79	Confident	71 Å²	71	65.1 Å²	65.1	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-57.7	-37.3	-177.6	56.2	0	0	0	0	114	E549 S550	E549-S553 WeakPolarHBondContact O-CB 3.4Å; E549-S553 PolarHBondContact O-N 2.93Å; E549-S553 PolarHBondContact O-OG 2.99Å; S550-S553 WeakPolarHBondContact CA-OG 3.36Å; S550-S553 PolarHBondContact O-OG 3.44Å; S550-S553 VanDerWaalsContact O-OG 3.1Å
554	H	86.2	Confident	76.9	Confident	27 Å²	27	70.7 Å²	70.7	13%	0.125	39%	0.385	C	S	.	.	H	α-helix	trans	-71.5	-29.1	179.8	-172.5	-89.1	0	0	0	113.5	W316 S550 L552 H572	W316-H554 HydrophobicContact CH2-CB 4.25Å; W316-H554 HydrophobicContact CZ2-CB 3.78Å; W316-H554 AromaticContact CZ2-CG 3.97Å; S550-H554 WeakPolarHBondContact O-CB 3.39Å; S550-H554 PolarHBondContact O-N 3.15Å; L552-H554 VanDerWaalsContact C-N 3.31Å; L552-H554 PolarHBondContact O-N 3.39Å; H554-H572 AromaticContact CE1-CD2 3.36Å; H554-H572 PolarHBondContact CE1-CD2 3.18Å; H554-H572 AromaticContact CE1-CG 3.54Å; H554-H572 AromaticContact ND1-CD2 3.97Å; H554-H572 AromaticContact NE2-CD2 3.51Å
555	H	88.7	Confident	74.6	Confident	8 Å²	8	75 Å²	75	4%	0.037	40%	0.397	C	S	.	.	H	α-helix	trans	-112.4	1.5	-173.4	-66.7	-68.7	0	0	0	114.2	W316 I551 L552 P571 H572 P573 L574	W316-H555 AromaticContact CD1-NE2 3.96Å; W316-H555 AromaticContact CE2-NE2 3.79Å; W316-H555 AromaticContact NE1-CD2 3.63Å; W316-H555 AromaticContact NE1-NE2 2.95Å; W316-H555 PolarHBondContact NE1-NE2 2.87Å; I551-H555 WeakPolarHBondContact O-CB 3.42Å; I551-H555 PolarHBondContact O-CD2 3.35Å; I551-H555 VanDerWaalsContact O-CD2 3.27Å; I551-H555 PolarHBondContact O-N 2.8Å; L552-H555 CarbonylContact O-C 3.57Å; L552-H555 PolarHBondContact O-N 3.5Å; L552-H555 VanDerWaalsContact O-N 3.12Å; H555-P571 VanDerWaalsContact C-CB 3.45Å; H555-P571 WeakPolarHBondContact O-CB 3.09Å; H555-H572 PolarHBondContact ND1-O 3.18Å; H555-P573 PolarHBondContact CE1-O 2.96Å; H555-P573 VanDerWaalsContact CE1-O 3.3Å; H555-L574 HydrophobicContact CB-CB 4.31Å
556	T	85.9	Confident	72.4	Confident	35 Å²	35	78.1 Å²	78.1	22%	0.215	43%	0.427	C	S	.	.	S	Bend	trans	-105.3	157.9	171.1	57.2	0	0	0	0	112.3	L111 I263 L552	L111-T556 HydrophobicContact CD2-CG2 3.97Å; I263-T556 HydrophobicContact CG2-CG2 3.74Å; L552-T556 HydrophobicContact CD1-CG2 3.52Å; L552-T556 HydrophobicContact CG-CG2 4.11Å; L552-T556 WeakPolarHBondContact O-CB 3.28Å; L552-T556 WeakPolarHBondContact O-CG2 3.14Å; L552-T556 PolarHBondContact O-N 3.33Å; L552-T556 PolarHBondContact O-OG1 3.33Å
557	F	74	Confident	70.6	Confident	86 Å²	86	76.5 Å²	76.5	38%	0.377	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-60.4	138.8	169.6	-69	-83.9	0	0	0	109.9	P569 P571	F557-P569 WeakPolarHBondContact CD1-O 3.26Å; F557-P569 VanDerWaalsContact CE1-O 3.24Å; F557-P569 WeakPolarHBondContact CE1-O 3.47Å; F557-P571 HydrophobicContact CD2-CG 4.28Å; F557-P571 HydrophobicContact CE1-CG 4.32Å; F557-P571 HydrophobicContact CE2-CG 4.03Å; F557-P571 VanDerWaalsContact CZ-CD 3.44Å; F557-P571 HydrophobicContact CZ-CG 4.04Å
558	P	67.3	Low	68.9	Low	46 Å²	46	77.4 Å²	77.4	30%	0.299	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-55.7	145.7	172.4	-20.4	30.5	0	0	0	110.3	E562	P558-E562 HydrophobicContact CB-CB 4.13Å
559	Q	61.1	Low	67.5	Low	132 Å²	132	81.8 Å²	81.8	62%	0.617	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-62.6	150.8	169.6	-67.7	-148.9	30.5	0	0	109.4	N561 E562	Q559-N561 PolarHBondContact O-N 2.8Å; Q559-E562 PolarHBondContact N-OE2 2.93Å; Q559-E562 PolarHBondContact O-N 3.02Å
560	P	56.8	Low	66.4	Low	132 Å²	132	80.8 Å²	80.8	86%	0.857	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-14.8	-178	18.6	-30.6	0	0	0	114.7
561	N	56.6	Low	65.9	Low	150 Å²	150	79.3 Å²	79.3	80%	0.802	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.9	177	-61	-13.4	0	0	0	113.9	Q559	Q559-N561 PolarHBondContact O-N 2.8Å
562	E	53.2	Low	65.7	Low	128 Å²	128	81.1 Å²	81.1	60%	0.598	45%	0.448	S	S	*	.			trans	-98.8	99.5	-178.4	-71.8	172.5	172.9	0	0	110	P558 Q559 R564	P558-E562 HydrophobicContact CB-CB 4.13Å; Q559-E562 PolarHBondContact N-OE2 2.93Å; Q559-E562 PolarHBondContact O-N 3.02Å; E562-R564 PolarHBondContact O-N 2.71Å
563	A	41.4	Very low	65.7	Low	106 Å²	106	79.2 Å²	79.2	88%	0.876	44%	0.438	S	S	*	.			trans	-76	85	179.2	0	0	0	0	0	111.5
564	R	44	Very low	66	Low	121 Å²	121	76 Å²	76	46%	0.457	42%	0.415	S	S	.	.			trans	-71.3	150.1	153.4	-106.1	-178.5	-179.4	165.7	1.1	109.2	E562	E562-R564 PolarHBondContact O-N 2.71Å
565	K	43	Very low	66.4	Low	141 Å²	141	74.8 Å²	74.8	61%	0.613	41%	0.41	S	S	*	.			trans	-46.5	140.4	178.9	-73.1	176.1	-178	167.5	0	111.3	S567 D568	K565-S567 PolarHBondContact O-N 3.1Å; K565-D568 PolarHBondContact O-N 3.2Å
566	P	41.3	Very low	66.7	Low	140 Å²	140	74.7 Å²	74.7	91%	0.909	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-3.6	-174.6	23.5	-33.4	0	0	0	115.6
567	S	50.9	Low	67.1	Low	72 Å²	72	73.1 Å²	73.1	50%	0.503	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-24.4	178.5	50	0	0	0	0	114	Y132 K565	Y132-S567 PolarHBondContact OH-O 3.16Å; K565-S567 PolarHBondContact O-N 3.1Å
568	D	54.6	Low	68	Low	44 Å²	44	69.7 Å²	69.7	24%	0.235	39%	0.386	C	S	.	.			trans	-136.9	90.9	-173.3	-165.3	4.9	0	0	0	114.8	Y132 K565 R570	Y132-D568 HydrophobicContact CE1-CB 4.38Å; K565-D568 PolarHBondContact O-N 3.2Å; D568-R570 VanDerWaalsContact C-N 3.35Å; D568-R570 PolarHBondContact OD1-N 2.97Å
569	P	60.4	Low	69.2	Low	91 Å²	91	68.7 Å²	68.7	59%	0.591	38%	0.379	S	S	*	.			trans	-84.2	0.9	176.7	32.6	-34.4	0	0	0	114.1	F557	F557-P569 WeakPolarHBondContact CD1-O 3.26Å; F557-P569 VanDerWaalsContact CE1-O 3.24Å; F557-P569 WeakPolarHBondContact CE1-O 3.47Å
570	R	69.3	Low	70.5	Confident	74 Å²	74	62.8 Å²	62.8	28%	0.279	35%	0.351	S	S	.	.	S	Bend	trans	-105.6	142	-170.3	-66.6	-171.4	-66.3	162.3	-1.1	112.6	C130 A131 D568	C130-R570 PolarHBondContact O-NH1 3.46Å; A131-R570 PolarHBondContact O-NH2 3.47Å; D568-R570 VanDerWaalsContact C-N 3.35Å; D568-R570 PolarHBondContact OD1-N 2.97Å
571	P	79.6	Confident	71.8	Confident	12 Å²	12	56.9 Å²	56.9	8%	0.078	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-72.6	146.4	175.9	28.2	-33.8	0	0	0	111.9	L111 Q112 H555 F557	L111-P571 HydrophobicContact CB-CG 4.36Å; L111-P571 WeakPolarHBondContact O-CG 3.24Å; Q112-P571 PolarHBondContact NE2-O 2.91Å; H555-P571 VanDerWaalsContact C-CB 3.45Å; H555-P571 WeakPolarHBondContact O-CB 3.09Å; F557-P571 HydrophobicContact CD2-CG 4.28Å; F557-P571 HydrophobicContact CE1-CG 4.32Å; F557-P571 HydrophobicContact CE2-CG 4.03Å; F557-P571 VanDerWaalsContact CZ-CD 3.44Å; F557-P571 HydrophobicContact CZ-CG 4.04Å
572	H	86.5	Confident	73.2	Confident	39 Å²	39	51.1 Å²	51.1	18%	0.181	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-58.3	142.1	170.7	-68.8	-73.6	0	0	0	110.6	D135 H554 H555	D135-H572 IonicContact OD1-CE1 3.56Å; D135-H572 IonicContact OD1-ND1 3.91Å; D135-H572 PolarHBondContact OD1-ND1 3.21Å; D135-H572 IonicContact OD2-CE1 2.84Å; D135-H572 PolarHBondContact OD2-CE1 2.91Å; D135-H572 IonicContact OD2-CG 2.94Å; D135-H572 IonicContact OD2-ND1 3.22Å; D135-H572 PolarHBondContact OD2-ND1 3.41Å; H554-H572 AromaticContact CE1-CD2 3.36Å; H554-H572 PolarHBondContact CE1-CD2 3.18Å; H554-H572 AromaticContact CE1-CG 3.54Å; H554-H572 AromaticContact ND1-CD2 3.97Å; H554-H572 AromaticContact NE2-CD2 3.51Å; H555-H572 PolarHBondContact ND1-O 3.18Å
573	P	91.4	Very high	74.9	Confident	8 Å²	8	45 Å²	45	5%	0.052	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-67.8	138	177.4	29	-34.5	0	0	0	111.2	G138 D141 L142 L259 H555	G138-P573 VanDerWaalsContact CA-CG 3.48Å; D141-P573 HydrophobicContact CB-CG 4.42Å; L142-P573 HydrophobicContact CD1-CG 4.29Å; L142-P573 HydrophobicContact CD2-CB 3.9Å; L142-P573 HydrophobicContact CD2-CG 4.34Å; L142-P573 HydrophobicContact CG-CB 4.05Å; L142-P573 HydrophobicContact CG-CG 3.91Å; L259-P573 HydrophobicContact CD1-CB 4.14Å; H555-P573 PolarHBondContact CE1-O 2.96Å; H555-P573 VanDerWaalsContact CE1-O 3.3Å
574	L	93.5	Very high	77	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.221	C	C	.	.			trans	-109.5	124.8	172.9	179.8	58.9	0	0	0	110	V260 I263 L284 L313 I551 H555	V260-L574 HydrophobicContact CB-CB 4.07Å; V260-L574 HydrophobicContact CB-CD2 4.24Å; V260-L574 HydrophobicContact CB-CG 4.25Å; V260-L574 HydrophobicContact CG1-CD2 4.39Å; V260-L574 HydrophobicContact CG2-CB 4.07Å; V260-L574 HydrophobicContact CG2-CD2 3.85Å; V260-L574 HydrophobicContact CG2-CG 3.74Å; V260-L574 PolarHBondContact N-O 3.21Å; I263-L574 HydrophobicContact CD1-CD2 4.36Å; L284-L574 HydrophobicContact CD2-CD2 4.09Å; L313-L574 HydrophobicContact CB-CD1 4.41Å; L313-L574 HydrophobicContact CD2-CD1 4.5Å; I551-L574 HydrophobicContact CG2-CD2 4.04Å; H555-L574 HydrophobicContact CB-CB 4.31Å
575	L	94	Very high	79.1	Confident	2 Å²	2	37 Å²	37	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.6	178.1	-64.8	-177.2	0	0	0	112	D141 F145 L258 L259 T314 W577	D141-L575 HydrophobicContact CB-CD1 3.73Å; D141-L575 HydrophobicContact CB-CG 4.31Å; D141-L575 WeakPolarHBondContact O-CD1 2.98Å; F145-L575 HydrophobicContact CB-CD1 3.97Å; F145-L575 HydrophobicContact CB-CD2 3.84Å; F145-L575 HydrophobicContact CD2-CD2 3.83Å; F145-L575 HydrophobicContact CG-CD2 3.94Å; L258-L575 WeakPolarHBondContact O-CA 3.34Å; L259-L575 HydrophobicContact CB-CD2 4.09Å; L259-L575 HydrophobicContact CD1-CD2 3.62Å; L259-L575 HydrophobicContact CG-CD2 4.49Å; T314-L575 PolarHBondContact N-O 2.77Å; L575-W577 HydrophobicContact CD1-CZ2 4.2Å
576	V	95.4	Very high	81.3	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.9	173	-168.8	0	0	0	0	109.3	R257 L258 V260 L284 V311 H312 L313 L538	R257-V576 CarbonylContact C-O 3.44Å; R257-V576 WeakPolarHBondContact CA-O 3.31Å; L258-V576 HydrophobicContact CB-CB 4.2Å; L258-V576 HydrophobicContact CD2-CB 4.22Å; L258-V576 HydrophobicContact CD2-CG2 3.71Å; L258-V576 PolarHBondContact N-O 3.05Å; L258-V576 PolarHBondContact O-N 2.84Å; V260-V576 HydrophobicContact CG2-CG2 3.63Å; L284-V576 HydrophobicContact CD1-CG2 3.7Å; V311-V576 HydrophobicContact CB-CG1 3.69Å; V311-V576 HydrophobicContact CG1-CG1 4.17Å; V311-V576 HydrophobicContact CG2-CG1 3.93Å; H312-V576 CarbonylContact O-C 3.59Å; H312-V576 WeakPolarHBondContact O-CA 3.18Å; L313-V576 HydrophobicContact CD2-CB 4.13Å; L313-V576 HydrophobicContact CD2-CG1 4.05Å; L313-V576 HydrophobicContact CD2-CG2 3.57Å; L538-V576 HydrophobicContact CD1-CG1 4.39Å
577	W	94.5	Very high	83.7	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.3	177.2	-61.2	89.6	0	0	0	111.4	N144 A252 R255 T256 R257 V311 H312 T314 L575 I690	N144-W577 HydrophobicContact CB-CH2 4.42Å; N144-W577 HydrophobicContact CB-CZ2 4.04Å; A252-W577 HydrophobicContact CB-CZ3 4.49Å; R255-W577 HydrophobicContact CB-CE3 4.24Å; T256-W577 WeakPolarHBondContact O-CA 3.35Å; R257-W577 HydrophobicContact CB-CD2 4.24Å; R257-W577 HydrophobicContact CB-CE3 3.68Å; R257-W577 HydrophobicContact CB-CH2 4.01Å; R257-W577 HydrophobicContact CB-CZ3 3.57Å; R257-W577 HydrophobicContact CG-CZ3 4.36Å; V311-W577 CarbonylContact C-O 3.39Å; V311-W577 WeakPolarHBondContact CA-O 3.47Å; H312-W577 HydrophobicContact CB-CB 4.34Å; H312-W577 PolarHBondContact N-O 2.94Å; H312-W577 PolarHBondContact O-N 3.04Å; T314-W577 PolarHBondContact OG1-NE1 3.45Å; L575-W577 HydrophobicContact CD1-CZ2 4.2Å; W577-I690 HydrophobicContact CB-CD1 3.65Å; W577-I690 HydrophobicContact CD2-CB 4.04Å; W577-I690 HydrophobicContact CD2-CD1 4.4Å; W577-I690 HydrophobicContact CD2-CG2 3.55Å; W577-I690 HydrophobicContact CE3-CG2 3.76Å; W577-I690 HydrophobicContact CG-CB 4.02Å; W577-I690 HydrophobicContact CG-CD1 3.89Å; W577-I690 HydrophobicContact CG-CG2 4.05Å; W577-I690 HydrophobicContact CH2-CG2 4.07Å; W577-I690 HydrophobicContact CZ2-CG2 3.9Å; W577-I690 HydrophobicContact CZ3-CG2 4Å
578	S	93.3	Very high	85.7	Confident	14 Å²	14	20.6 Å²	20.6	10%	0.098	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	141.2	163.9	67.7	0	0	0	0	110.1	R255 T256	R255-S578 VanDerWaalsContact CA-OG 3.3Å; R255-S578 WeakPolarHBondContact CA-OG 3.47Å; R255-S578 VanDerWaalsContact CD-O 3.3Å; R255-S578 WeakPolarHBondContact CD-O 3.29Å; R255-S578 WeakPolarHBondContact CG-O 3.22Å; T256-S578 PolarHBondContact N-OG 2.77Å; T256-S578 PolarHBondContact O-N 3.06Å
579	L	91.5	Very high	87.7	Confident	26 Å²	26	18.5 Å²	18.5	14%	0.136	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-87.8	145.2	173.4	-66.7	176.6	0	0	0	111.6	R310 H312 D318 E583 T584 I690	R310-L579 HydrophobicContact CB-CD1 4.03Å; H312-L579 HydrophobicContact CB-CD2 3.77Å; H312-L579 HydrophobicContact CB-CG 4.26Å; D318-L579 HydrophobicContact CB-CD1 4.14Å; D318-L579 WeakPolarHBondContact OD2-CD1 3.32Å; L579-E583 HydrophobicContact CB-CB 4.34Å; L579-E583 HydrophobicContact CD2-CB 4.24Å; L579-T584 HydrophobicContact CD1-CG2 3.71Å; L579-I690 HydrophobicContact CD2-CD1 4.49Å
580	L	89.1	Confident	89.3	Confident	7 Å²	7	14.2 Å²	14.2	4%	0.037	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-80	163.9	170.6	-54.5	-173.3	0	0	0	110.4	R255 M505 I509 H582 E583 Y732	R255-L580 HydrophobicContact CG-CD2 3.8Å; R255-L580 HydrophobicContact CG-CG 4.18Å; M505-L580 HydrophobicContact CE-CD1 3.68Å; M505-L580 HydrophobicContact SD-CD1 4.22Å; I509-L580 HydrophobicContact CD1-CB 4.41Å; I509-L580 HydrophobicContact CD1-CD1 4.18Å; I509-L580 HydrophobicContact CD1-CD2 3.54Å; I509-L580 HydrophobicContact CD1-CG 4.26Å; L580-H582 PolarHBondContact O-N 2.95Å; L580-E583 VanDerWaalsContact CB-CD 3.48Å; L580-E583 HydrophobicContact CB-CG 3.8Å; L580-E583 PolarHBondContact N-OE2 2.79Å; L580-E583 WeakPolarHBondContact O-CB 3.37Å; L580-E583 WeakPolarHBondContact O-CG 3.36Å; L580-E583 PolarHBondContact O-N 2.73Å; L580-Y732 HydrophobicContact CB-CD2 4.25Å; L580-Y732 HydrophobicContact CB-CE2 4.25Å; L580-Y732 HydrophobicContact CD1-CD2 4.19Å
581	P	84.6	Confident	90.6	Very high	8 Å²	8	10.8 Å²	10.8	5%	0.052	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	135.2	174.4	-34.3	38.6	0	0	0	113.1	E297 L299 M505 Y508 E583 Y732	E297-P581 WeakPolarHBondContact OE1-CA 3.43Å; E297-P581 WeakPolarHBondContact OE1-CB 3.45Å; E297-P581 WeakPolarHBondContact OE1-CG 3.24Å; L299-P581 HydrophobicContact CD1-CB 3.85Å; L299-P581 HydrophobicContact CD1-CG 3.81Å; M505-P581 HydrophobicContact CG-CB 4.36Å; M505-P581 HydrophobicContact CG-CG 4.3Å; Y508-P581 HydrophobicContact CD1-CG 4.38Å; Y508-P581 HydrophobicContact CE1-CG 4.26Å; P581-E583 PolarHBondContact O-N 3.38Å; P581-Y732 WeakPolarHBondContact O-CE2 3.2Å; P581-Y732 PolarHBondContact O-OH 2.97Å
582	H	85.2	Confident	91.3	Very high	29 Å²	29	11.6 Å²	11.6	13%	0.134	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	-2.9	-179.8	-45.2	-68.6	0	0	0	117.2	F495 L580 T584 Q585 V730 L894 L896	F495-H582 HydrophobicContact CZ-CB 4.45Å; L580-H582 PolarHBondContact O-N 2.95Å; H582-T584 PolarHBondContact O-N 3.34Å; H582-Q585 WeakPolarHBondContact O-CB 3.24Å; H582-Q585 PolarHBondContact O-N 2.8Å; H582-V730 WeakPolarHBondContact O-CB 3.33Å; H582-L894 HydrophobicContact CB-CD1 4.11Å; H582-L896 VanDerWaalsContact NE2-CD2 3.33Å; H582-L896 WeakPolarHBondContact NE2-CD2 3.39Å
583	E	89.3	Confident	91.6	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-12	178.7	-68.4	-167.3	149.2	0	0	113.2	R255 L579 L580 P581 Q585 R691 P729 V730 Y732	R255-E583 IonicContact CZ-OE1 2.96Å; R255-E583 IonicContact CZ-OE2 3.56Å; R255-E583 IonicContact NE-OE1 3.01Å; R255-E583 IonicContact NE-OE2 3.16Å; R255-E583 PolarHBondContact NE-OE2 3.47Å; R255-E583 IonicContact NH2-OE1 3.9Å; R255-E583 PolarHBondContact NH2-OE1 2.79Å; R255-E583 IonicContact NH2-OE2 3.34Å; R255-E583 PolarHBondContact NH2-OE2 3.44Å; L579-E583 HydrophobicContact CB-CB 4.34Å; L579-E583 HydrophobicContact CD2-CB 4.24Å; L580-E583 VanDerWaalsContact CB-CD 3.48Å; L580-E583 HydrophobicContact CB-CG 3.8Å; L580-E583 PolarHBondContact N-OE2 2.79Å; L580-E583 WeakPolarHBondContact O-CB 3.37Å; L580-E583 WeakPolarHBondContact O-CG 3.36Å; L580-E583 PolarHBondContact O-N 2.73Å; P581-E583 PolarHBondContact O-N 3.38Å; E583-Q585 VanDerWaalsContact C-N 3.32Å; E583-R691 PolarHBondContact O-NH2 3.18Å; E583-P729 WeakPolarHBondContact O-CB 3.49Å; E583-V730 WeakPolarHBondContact CA-O 3.39Å; E583-V730 WeakPolarHBondContact CG-O 3.24Å; E583-Y732 HydrophobicContact CG-CD2 3.92Å; E583-Y732 HydrophobicContact CG-CE2 3.79Å
584	T	86.6	Confident	91.5	Very high	34 Å²	34	12.5 Å²	12.5	21%	0.209	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-16.1	172.4	58.2	0	0	0	0	112.5	R310 L579 H582 Y888	R310-T584 HydrophobicContact CB-CG2 4.2Å; R310-T584 HydrophobicContact CG-CG2 4.31Å; L579-T584 HydrophobicContact CD1-CG2 3.71Å; H582-T584 PolarHBondContact O-N 3.34Å; T584-Y888 WeakPolarHBondContact O-CD1 3.41Å; T584-Y888 WeakPolarHBondContact O-CE1 3.26Å
585	Q	87.9	Confident	91.1	Very high	25 Å²	25	13.4 Å²	13.4	12%	0.117	7%	0.069	C	C	.	.	S	Bend	trans	-85.5	135.3	-175.5	-62.6	-65.7	-27	0	0	110.8	A493 H582 E583 P729 V730 L894	A493-Q585 HydrophobicContact CB-CB 3.69Å; H582-Q585 WeakPolarHBondContact O-CB 3.24Å; H582-Q585 PolarHBondContact O-N 2.8Å; E583-Q585 VanDerWaalsContact C-N 3.32Å; Q585-P729 CarbonylContact O-C 3.56Å; Q585-P729 VanDerWaalsContact O-CA 3.24Å; Q585-P729 WeakPolarHBondContact O-CA 3.32Å; Q585-V730 HydrophobicContact CB-CG2 4.32Å; Q585-V730 WeakPolarHBondContact O-CG2 3.33Å; Q585-V730 PolarHBondContact O-N 2.88Å; Q585-L894 HydrophobicContact CG-CD1 4.29Å
586	M	88.5	Confident	90.2	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.025	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	138.2	176.1	-170.5	56.2	63	0	0	110.8	I492 A493 A728 P729 Y861 Y888	I492-M586 CarbonylContact C-O 3.57Å; I492-M586 WeakPolarHBondContact CA-O 3.12Å; I492-M586 WeakPolarHBondContact CB-O 3.3Å; I492-M586 HydrophobicContact CG2-CG 4.3Å; A493-M586 PolarHBondContact N-O 2.83Å; M586-A728 VanDerWaalsContact SD-CA 3.54Å; M586-A728 PolarHBondContact SD-N 2.81Å; M586-P729 HydrophobicContact CE-CG 4.04Å; M586-Y861 HydrophobicContact CE-CD1 3.54Å; M586-Y861 HydrophobicContact CE-CD2 4.43Å; M586-Y861 HydrophobicContact CE-CE1 3.97Å; M586-Y861 HydrophobicContact CE-CG 3.8Å; M586-Y888 HydrophobicContact CE-CD2 4.49Å
587	S	92.3	Very high	88.7	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	-179.1	175.8	-176	0	0	0	0	110.6	A493 Y727 A728 V769	A493-S587 PolarHBondContact O-OG 2.91Å; A493-S587 VanDerWaalsContact O-OG 3.05Å; S587-Y727 WeakPolarHBondContact O-CA 3.35Å; S587-A728 CarbonylContact C-O 3.59Å; S587-A728 PolarHBondContact N-O 2.58Å; S587-A728 PolarHBondContact O-N 2.85Å; S587-V769 WeakPolarHBondContact OG-CG1 3.17Å
588	V	93.2	Very high	86.6	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.7	166.7	179.3	0	0	0	0	108.7	Y489 I492 T725 Y727 V769 D770 P771 P857	Y489-V588 HydrophobicContact CE1-CG2 4.12Å; Y489-V588 WeakPolarHBondContact OH-CG2 3.12Å; I492-V588 HydrophobicContact CD1-CG2 3.97Å; V588-T725 HydrophobicContact CG1-CG2 3.3Å; V588-Y727 HydrophobicContact CG2-CD1 4.14Å; V588-Y727 HydrophobicContact CG2-CE1 4.05Å; V588-V769 CarbonylContact O-C 3.55Å; V588-V769 WeakPolarHBondContact O-CA 3.5Å; V588-D770 PolarHBondContact O-N 3.03Å; V588-D770 VanDerWaalsContact O-N 3.07Å; V588-P771 HydrophobicContact CB-CB 4.21Å; V588-P771 HydrophobicContact CG2-CB 4Å; V588-P857 HydrophobicContact CG1-CG 4.24Å; V588-P857 HydrophobicContact CG2-CG 4.33Å
589	C	95.1	Very high	84.6	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.5	179.4	-67	0	0	0	0	110	F591 T725 V726 A728 M731 L766	C589-F591 HydrophobicContact CB-CD2 4.45Å; C589-F591 HydrophobicContact CB-CE2 3.64Å; C589-F591 HydrophobicContact CB-CZ 3.96Å; C589-T725 WeakPolarHBondContact O-CA 3.35Å; C589-V726 HydrophobicContact CB-CG2 4.49Å; C589-V726 PolarHBondContact N-O 2.99Å; C589-V726 PolarHBondContact O-N 3.25Å; C589-A728 HydrophobicContact CB-CB 4.28Å; C589-M731 HydrophobicContact CB-CE 4.08Å; C589-M731 VanDerWaalsContact SG-CE 3.53Å; C589-L766 HydrophobicContact CB-CD1 4.11Å
590	H	95.5	Very high	82.5	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.4	176.5	-54	-75.2	0	0	0	109.8	V723 T725 R767 S768 D770 H773	H590-V723 HydrophobicContact CB-CG1 4.07Å; H590-T725 VanDerWaalsContact CE1-CG2 3.41Å; H590-T725 WeakPolarHBondContact CE1-CG2 3.21Å; H590-T725 VanDerWaalsContact ND1-CG2 3.35Å; H590-T725 WeakPolarHBondContact ND1-CG2 3.13Å; H590-T725 PolarHBondContact ND1-OG1 2.81Å; H590-R767 HydrophobicContact CB-CB 4.48Å; H590-R767 WeakPolarHBondContact O-CA 3.47Å; H590-R767 VanDerWaalsContact O-CB 3.27Å; H590-R767 WeakPolarHBondContact O-CB 3.45Å; H590-R767 PolarHBondContact O-N 2.68Å; H590-S768 PolarHBondContact N-O 3.11Å; H590-S768 PolarHBondContact O-N 3.3Å; H590-D770 PolarHBondContact NE2-O 2.95Å; H590-H773 AromaticContact CE1-CD2 3.79Å; H590-H773 WeakPolarHBondContact NE2-CB 3.18Å
591	F	95.7	Very high	80.9	Confident	1 Å²	1	26 Å²	26	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.7	-180	-62.1	-83.7	0	0	0	110.1	C589 M593 A688 V723 A724 V726 M731 I737 S765 L766	C589-F591 HydrophobicContact CB-CD2 4.45Å; C589-F591 HydrophobicContact CB-CE2 3.64Å; C589-F591 HydrophobicContact CB-CZ 3.96Å; F591-M593 HydrophobicContact CB-CG 4.22Å; F591-M593 HydrophobicContact CB-SD 3.9Å; F591-A688 HydrophobicContact CE1-CB 4.06Å; F591-A688 HydrophobicContact CZ-CB 4.08Å; F591-V723 CarbonylContact O-C 3.55Å; F591-V723 VanDerWaalsContact O-CA 3.26Å; F591-V723 WeakPolarHBondContact O-CA 3.47Å; F591-A724 PolarHBondContact N-O 3.35Å; F591-A724 PolarHBondContact O-N 3.43Å; F591-V726 HydrophobicContact CD2-CG2 4.1Å; F591-V726 HydrophobicContact CE2-CG2 3.57Å; F591-M731 HydrophobicContact CE1-CE 4.31Å; F591-M731 HydrophobicContact CE2-CE 4.49Å; F591-M731 HydrophobicContact CZ-CE 3.57Å; F591-M731 HydrophobicContact CZ-SD 4.5Å; F591-I737 HydrophobicContact CB-CD1 4.05Å; F591-I737 HydrophobicContact CB-CG2 4.13Å; F591-I737 HydrophobicContact CD1-CB 3.88Å; F591-I737 HydrophobicContact CD1-CD1 3.54Å; F591-I737 HydrophobicContact CD1-CG1 4.31Å; F591-I737 HydrophobicContact CD1-CG2 3.68Å; F591-I737 HydrophobicContact CD2-CD1 3.71Å; F591-I737 HydrophobicContact CE1-CB 4.17Å; F591-I737 HydrophobicContact CE1-CD1 3.78Å; F591-I737 HydrophobicContact CE1-CG2 4.44Å; F591-I737 HydrophobicContact CE2-CD1 3.95Å; F591-I737 HydrophobicContact CG-CD1 3.48Å; F591-I737 VanDerWaalsContact CG-CD1 3.48Å; F591-I737 HydrophobicContact CG-CG2 4.18Å; F591-I737 HydrophobicContact CZ-CD1 3.97Å; F591-S765 CarbonylContact C-O 3.49Å; F591-S765 WeakPolarHBondContact CA-O 3.38Å; F591-L766 HydrophobicContact CD1-CB 4.01Å; F591-L766 HydrophobicContact CD1-CD1 3.98Å; F591-L766 HydrophobicContact CE1-CB 3.91Å; F591-L766 HydrophobicContact CE1-CD1 3.61Å; F591-L766 HydrophobicContact CE1-CG 4.35Å; F591-L766 HydrophobicContact CZ-CD1 3.96Å
592	T	94.7	Very high	79.9	Confident	30 Å²	30	26 Å²	26	18%	0.184	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118.1	166.3	-61	0	0	0	0	107.8	F594 G764 S765	T592-F594 HydrophobicContact CG2-CE2 4.02Å; T592-F594 HydrophobicContact CG2-CZ 4.13Å; T592-G764 CarbonylContact O-C 3.59Å; T592-G764 WeakPolarHBondContact O-CA 3.32Å; T592-S765 PolarHBondContact N-O 3.41Å; T592-S765 PolarHBondContact O-N 2.93Å
593	M	92.8	Very high	78.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	147	-174.1	-59.4	-61.9	-67	0	0	111.1	F591 F715 T722 A724 I737 Q739 A762 T763	F591-M593 HydrophobicContact CB-CG 4.22Å; F591-M593 HydrophobicContact CB-SD 3.9Å; M593-F715 HydrophobicContact CB-CE2 3.76Å; M593-F715 HydrophobicContact CB-CZ 3.91Å; M593-T722 PolarHBondContact N-O 2.94Å; M593-T722 PolarHBondContact O-N 3.45Å; M593-A724 HydrophobicContact CG-CB 3.54Å; M593-I737 HydrophobicContact CE-CG1 4.38Å; M593-I737 HydrophobicContact CE-CG2 4.36Å; M593-I737 HydrophobicContact SD-CB 4.42Å; M593-I737 HydrophobicContact SD-CD1 4.01Å; M593-I737 HydrophobicContact SD-CG1 4.15Å; M593-I737 HydrophobicContact SD-CG2 3.42Å; M593-I737 WeakPolarHBondContact SD-CG2 3.43Å; M593-Q739 HydrophobicContact CE-CB 3.59Å; M593-A762 HydrophobicContact CE-CB 3.65Å; M593-T763 CarbonylContact C-O 3.51Å; M593-T763 WeakPolarHBondContact CA-O 3.4Å
594	F	88.7	Confident	78.1	Confident	65 Å²	65	28.5 Å²	28.5	29%	0.285	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137	172.8	-59.6	-87	0	0	0	108.3	T592 S721 A762 T763	T592-F594 HydrophobicContact CG2-CE2 4.02Å; T592-F594 HydrophobicContact CG2-CZ 4.13Å; F594-S721 VanDerWaalsContact CE1-CB 3.5Å; F594-A762 CarbonylContact O-C 3.43Å; F594-A762 WeakPolarHBondContact O-CA 3.36Å; F594-A762 VanDerWaalsContact O-CB 3.3Å; F594-A762 WeakPolarHBondContact O-CB 3.12Å; F594-T763 PolarHBondContact N-O 3.44Å; F594-T763 PolarHBondContact O-N 2.84Å
595	R	85.3	Confident	77.5	Confident	23 Å²	23	26.9 Å²	26.9	9%	0.087	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.3	173.6	-157.3	178	179.8	124.2	3.2	108.9	A597 E674 E676 F715	R595-A597 VanDerWaalsContact CD-O 3.22Å; R595-A597 WeakPolarHBondContact CD-O 3.49Å; R595-A597 VanDerWaalsContact CG-O 3.24Å; R595-A597 WeakPolarHBondContact CG-O 3.36Å; R595-A597 PolarHBondContact O-N 3.21Å; R595-E674 PolarHBondContact NE-O 3.29Å; R595-E674 PolarHBondContact NH2-O 2.91Å; R595-E676 PolarHBondContact NH2-O 3.3Å; R595-F715 HydrophobicContact CB-CE1 3.93Å
596	R	75.7	Confident	76.6	Confident	59 Å²	59	26.5 Å²	26.5	22%	0.223	15%	0.145	C	C	.	.	S	Bend	trans	-59.9	-44.9	-177.8	175.9	-173.9	170.5	-166.2	-4.1	112.2	H165 T169 L760 V761	H165-R596 PolarHBondContact CD2-NH2 3.25Å; T169-R596 HydrophobicContact CG2-CG 4.29Å; R596-L760 WeakPolarHBondContact CD-O 3.43Å; R596-L760 PolarHBondContact NH1-O 2.87Å; R596-V761 PolarHBondContact N-O 3.46Å
597	A	64	Low	76	Confident	37 Å²	37	29.3 Å²	29.3	31%	0.306	16%	0.16	S	C	.	.	S	Bend	trans	-121.4	134.2	169	0	0	0	0	0	107.4	R595 A599 E674	R595-A597 VanDerWaalsContact CD-O 3.22Å; R595-A597 WeakPolarHBondContact CD-O 3.49Å; R595-A597 VanDerWaalsContact CG-O 3.24Å; R595-A597 WeakPolarHBondContact CG-O 3.36Å; R595-A597 PolarHBondContact O-N 3.21Å; A597-A599 PolarHBondContact O-N 3.28Å; A597-E674 HydrophobicContact CB-CB 4.18Å; A597-E674 HydrophobicContact CB-CG 3.9Å
598	S	49.2	Very low	75.4	Confident	35 Å²	35	30.7 Å²	30.7	25%	0.245	17%	0.168	C	C	.	.			trans	-60.3	123.2	159.2	37.1	0	0	0	0	106.9	I600 E719	S598-I600 PolarHBondContact O-N 3.39Å; S598-I600 VanDerWaalsContact OG-CG1 3.28Å; S598-I600 WeakPolarHBondContact OG-CG1 3.35Å; S598-E719 WeakPolarHBondContact CB-OE1 3.36Å; S598-E719 PolarHBondContact OG-OE1 3.12Å
599	A	51.2	Low	74.7	Confident	14 Å²	14	30.6 Å²	30.6	12%	0.116	17%	0.167	C	C	.	.			trans	-78.9	75.2	162.7	0	0	0	0	0	105.3	A597 H601 A602 E674	A597-A599 PolarHBondContact O-N 3.28Å; A599-H601 PolarHBondContact O-N 2.73Å; A599-H601 VanDerWaalsContact O-N 3.1Å; A599-A602 VanDerWaalsContact C-N 3.27Å; A599-A602 HydrophobicContact CB-CB 3.04Å; A599-A602 WeakPolarHBondContact O-CB 3.22Å; A599-A602 PolarHBondContact O-N 2.83Å; A599-E674 WeakPolarHBondContact CB-O 3.47Å
600	I	47.3	Very low	73.7	Confident	123 Å²	123	30.7 Å²	30.7	63%	0.631	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.5	176.2	-61.4	174.7	0	0	0	109	S598	S598-I600 PolarHBondContact O-N 3.39Å; S598-I600 VanDerWaalsContact OG-CG1 3.28Å; S598-I600 WeakPolarHBondContact OG-CG1 3.35Å
601	H	56.2	Low	73.1	Confident	54 Å²	54	34.4 Å²	34.4	25%	0.25	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	2.8	172.3	-52.5	-41.6	0	0	0	114.2	A599 V603 S604 D605 I655	A599-H601 PolarHBondContact O-N 2.73Å; A599-H601 VanDerWaalsContact O-N 3.1Å; H601-V603 PolarHBondContact O-N 2.8Å; H601-S604 WeakPolarHBondContact CA-OG 3.08Å; H601-S604 CarbonylContact O-C 3.59Å; H601-S604 PolarHBondContact O-N 2.79Å; H601-S604 VanDerWaalsContact O-N 3.16Å; H601-S604 PolarHBondContact O-OG 2.93Å; H601-S604 VanDerWaalsContact O-OG 3.12Å; H601-D605 WeakPolarHBondContact O-CA 3.46Å; H601-D605 WeakPolarHBondContact O-CB 3.26Å; H601-D605 PolarHBondContact O-N 3.16Å; H601-I655 VanDerWaalsContact CE1-CG2 3.45Å; H601-I655 WeakPolarHBondContact CE1-CG2 3.24Å
602	A	63.3	Low	72.5	Confident	7 Å²	7	34.9 Å²	34.9	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-55.3	-44.4	179.1	0	0	0	0	0	111.2	A599 L606 A717	A599-A602 VanDerWaalsContact C-N 3.27Å; A599-A602 HydrophobicContact CB-CB 3.04Å; A599-A602 WeakPolarHBondContact O-CB 3.22Å; A599-A602 PolarHBondContact O-N 2.83Å; A602-L606 WeakPolarHBondContact O-CA 3.5Å; A602-L606 WeakPolarHBondContact O-CB 2.92Å; A602-L606 PolarHBondContact O-N 3.25Å; A602-A717 HydrophobicContact CB-CB 3.82Å
603	V	65.2	Low	71.7	Confident	52 Å²	52	33.7 Å²	33.7	32%	0.315	19%	0.185	S	C	.	.	H	α-helix	trans	-60.8	-50.1	179.8	169.3	0	0	0	0	110.3	E446 H601 L606 I607	E446-V603 WeakPolarHBondContact OE1-CG1 3.3Å; E446-V603 WeakPolarHBondContact OE1-CG2 3.22Å; H601-V603 PolarHBondContact O-N 2.8Å; V603-L606 WeakPolarHBondContact O-CB 3.39Å; V603-L606 PolarHBondContact O-N 3.31Å; V603-I607 HydrophobicContact CG1-CD1 4Å; V603-I607 WeakPolarHBondContact O-CD1 3.25Å; V603-I607 WeakPolarHBondContact O-CG1 3.37Å; V603-I607 PolarHBondContact O-N 2.79Å
604	S	72.4	Confident	71.1	Confident	30 Å²	30	36.4 Å²	36.4	21%	0.21	20%	0.2	C	C	.	.	H	α-helix	trans	-70.9	-36.4	-179.1	53.1	0	0	0	0	113.1	H601 I607 V608 H651	H601-S604 WeakPolarHBondContact CA-OG 3.08Å; H601-S604 CarbonylContact O-C 3.59Å; H601-S604 PolarHBondContact O-N 2.79Å; H601-S604 VanDerWaalsContact O-N 3.16Å; H601-S604 PolarHBondContact O-OG 2.93Å; H601-S604 VanDerWaalsContact O-OG 3.12Å; S604-I607 WeakPolarHBondContact O-CB 3.14Å; S604-I607 PolarHBondContact O-N 3.47Å; S604-V608 VanDerWaalsContact O-CG2 3.3Å; S604-V608 WeakPolarHBondContact O-CG2 3.49Å; S604-V608 PolarHBondContact O-N 3.03Å; S604-H651 VanDerWaalsContact CB-CE1 3.45Å; S604-H651 WeakPolarHBondContact CB-CE1 3.21Å; S604-H651 PolarHBondContact OG-CE1 3.47Å; S604-H651 VanDerWaalsContact OG-CE1 3.28Å
605	D	72.8	Confident	70.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-43.3	173.6	-69.1	-18.7	0	0	0	110.5	H601 I607 V608 I609 L648 H651 R652	H601-D605 WeakPolarHBondContact O-CA 3.46Å; H601-D605 WeakPolarHBondContact O-CB 3.26Å; H601-D605 PolarHBondContact O-N 3.16Å; D605-I607 VanDerWaalsContact C-N 3.3Å; D605-I607 PolarHBondContact O-N 3.1Å; D605-V608 PolarHBondContact O-N 2.89Å; D605-V608 VanDerWaalsContact O-N 3.17Å; D605-I609 WeakPolarHBondContact O-CB 3.5Å; D605-I609 WeakPolarHBondContact O-CD1 3.24Å; D605-I609 WeakPolarHBondContact O-CG1 3.49Å; D605-I609 PolarHBondContact O-N 3.02Å; D605-L648 HydrophobicContact CB-CD1 3.66Å; D605-L648 WeakPolarHBondContact OD1-CD1 3.28Å; D605-H651 IonicContact OD1-CE1 3.74Å; D605-H651 PolarHBondContact OD1-CE1 3.37Å; D605-H651 VanDerWaalsContact OD1-CE1 3.3Å; D605-H651 IonicContact OD1-ND1 2.95Å; D605-H651 PolarHBondContact OD1-ND1 3.44Å; D605-R652 IonicContact OD1-NE 2.66Å; D605-R652 IonicContact OD2-CZ 2.84Å; D605-R652 VanDerWaalsContact OD2-CZ 3.28Å; D605-R652 IonicContact OD2-NE 3.46Å; D605-R652 PolarHBondContact OD2-NE 3.22Å; D605-R652 IonicContact OD2-NH2 3.2Å; D605-R652 PolarHBondContact OD2-NH2 3.17Å
606	L	70.2	Confident	70.5	Confident	17 Å²	17	40.5 Å²	40.5	9%	0.089	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-42.7	172.7	177.3	68.2	0	0	0	110.5	F439 A442 R443 A602 V603 A610	F439-L606 HydrophobicContact CB-CD1 4.05Å; F439-L606 HydrophobicContact CD1-CD1 3.54Å; F439-L606 HydrophobicContact CE1-CD1 4.48Å; F439-L606 HydrophobicContact CG-CD1 4.26Å; F439-L606 WeakPolarHBondContact O-CD1 2.96Å; A442-L606 HydrophobicContact CB-CD1 4.2Å; A442-L606 HydrophobicContact CB-CD2 4.26Å; R443-L606 HydrophobicContact CB-CD1 4.18Å; R443-L606 HydrophobicContact CB-CD2 4.11Å; R443-L606 HydrophobicContact CB-CG 3.92Å; A602-L606 WeakPolarHBondContact O-CA 3.5Å; A602-L606 WeakPolarHBondContact O-CB 2.92Å; A602-L606 PolarHBondContact O-N 3.25Å; V603-L606 WeakPolarHBondContact O-CB 3.39Å; V603-L606 PolarHBondContact O-N 3.31Å; L606-A610 VanDerWaalsContact O-CB 3.26Å; L606-A610 WeakPolarHBondContact O-CB 3.36Å; L606-A610 PolarHBondContact O-N 3.1Å
607	I	74.4	Confident	70.4	Confident	65 Å²	65	39.4 Å²	39.4	33%	0.333	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-47	173.6	-69.5	162.6	0	0	0	110.7	R443 V603 S604 D605 N611	R443-I607 PolarHBondContact NH1-O 3.04Å; V603-I607 HydrophobicContact CG1-CD1 4Å; V603-I607 WeakPolarHBondContact O-CD1 3.25Å; V603-I607 WeakPolarHBondContact O-CG1 3.37Å; V603-I607 PolarHBondContact O-N 2.79Å; S604-I607 WeakPolarHBondContact O-CB 3.14Å; S604-I607 PolarHBondContact O-N 3.47Å; D605-I607 VanDerWaalsContact C-N 3.3Å; D605-I607 PolarHBondContact O-N 3.1Å; I607-N611 VanDerWaalsContact O-CB 3.23Å; I607-N611 WeakPolarHBondContact O-CB 3.45Å; I607-N611 PolarHBondContact O-N 3.36Å; I607-N611 PolarHBondContact O-ND2 3.23Å
608	V	80.1	Confident	71	Confident	28 Å²	28	41.7 Å²	41.7	17%	0.17	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-46.8	-179.6	169.9	0	0	0	0	111.4	S604 D605 N611 A612 A647 H651	S604-V608 VanDerWaalsContact O-CG2 3.3Å; S604-V608 WeakPolarHBondContact O-CG2 3.49Å; S604-V608 PolarHBondContact O-N 3.03Å; D605-V608 PolarHBondContact O-N 2.89Å; D605-V608 VanDerWaalsContact O-N 3.17Å; V608-N611 PolarHBondContact O-N 3.09Å; V608-A612 WeakPolarHBondContact O-CB 3.47Å; V608-A612 PolarHBondContact O-N 3.11Å; V608-A647 HydrophobicContact CG1-CB 3.96Å; V608-H651 HydrophobicContact CG1-CB 4.21Å; V608-H651 HydrophobicContact CG2-CB 3.87Å
609	I	78	Confident	72.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-50.6	179.1	-69.8	165.1	0	0	0	110.1	F431 F439 D605 N611 A612 A613 I644 L648	F431-I609 HydrophobicContact CE1-CD1 4.39Å; F431-I609 HydrophobicContact CE1-CG2 3.73Å; F431-I609 HydrophobicContact CZ-CD1 4.47Å; F431-I609 HydrophobicContact CZ-CG1 4.35Å; F431-I609 HydrophobicContact CZ-CG2 4.11Å; F439-I609 HydrophobicContact CB-CG2 4.37Å; F439-I609 HydrophobicContact CD1-CD1 4.17Å; F439-I609 HydrophobicContact CD1-CG2 4.15Å; F439-I609 HydrophobicContact CE1-CD1 3.77Å; F439-I609 HydrophobicContact CG-CG2 4.14Å; F439-I609 HydrophobicContact CZ-CD1 4.25Å; D605-I609 WeakPolarHBondContact O-CB 3.5Å; D605-I609 WeakPolarHBondContact O-CD1 3.24Å; D605-I609 WeakPolarHBondContact O-CG1 3.49Å; D605-I609 PolarHBondContact O-N 3.02Å; I609-N611 PolarHBondContact O-N 3.37Å; I609-A612 PolarHBondContact O-N 2.79Å; I609-A613 VanDerWaalsContact O-CB 3.32Å; I609-A613 WeakPolarHBondContact O-CB 3.05Å; I609-A613 PolarHBondContact O-N 3.16Å; I609-I644 HydrophobicContact CB-CG2 4.41Å; I609-I644 HydrophobicContact CG1-CG2 4.29Å; I609-I644 HydrophobicContact CG2-CG2 4.11Å; I609-L648 HydrophobicContact CD1-CD1 4.35Å; I609-L648 HydrophobicContact CD1-CD2 4.37Å; I609-L648 HydrophobicContact CG1-CD1 4.36Å
610	A	75.7	Confident	72.8	Confident	2 Å²	2	48.2 Å²	48.2	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-70.3	-32.5	-178.7	0	0	0	0	0	112.8	R443 L606 A613 N614	R443-A610 HydrophobicContact CB-CB 4.48Å; R443-A610 VanDerWaalsContact NH1-CB 3.31Å; L606-A610 VanDerWaalsContact O-CB 3.26Å; L606-A610 WeakPolarHBondContact O-CB 3.36Å; L606-A610 PolarHBondContact O-N 3.1Å; A610-A613 PolarHBondContact O-N 3.27Å; A610-N614 WeakPolarHBondContact O-CB 3.36Å; A610-N614 PolarHBondContact O-N 3.4Å; A610-N614 PolarHBondContact O-OD1 2.87Å
611	N	83	Confident	73.6	Confident	80 Å²	80	49.3 Å²	49.3	43%	0.428	25%	0.253	S	S	.	.	H	α-helix	trans	-66.6	-42.4	172.6	-78.7	-11.5	0	0	0	111.5	R443 I607 V608 I609 A613 N614 K615	R443-N611 VanDerWaalsContact NH1-CG 3.32Å; R443-N611 VanDerWaalsContact NH1-N 3.11Å; R443-N611 PolarHBondContact NH1-OD1 2.93Å; R443-N611 PolarHBondContact NH2-OD1 3.49Å; I607-N611 VanDerWaalsContact O-CB 3.23Å; I607-N611 WeakPolarHBondContact O-CB 3.45Å; I607-N611 PolarHBondContact O-N 3.36Å; I607-N611 PolarHBondContact O-ND2 3.23Å; V608-N611 PolarHBondContact O-N 3.09Å; I609-N611 PolarHBondContact O-N 3.37Å; N611-A613 VanDerWaalsContact C-N 3.35Å; N611-N614 PolarHBondContact O-N 2.83Å; N611-K615 WeakPolarHBondContact O-CB 3.07Å; N611-K615 PolarHBondContact O-N 3.14Å
612	A	82	Confident	74.1	Confident	12 Å²	12	53.5 Å²	53.5	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-44.4	175.6	0	0	0	0	0	110.8	V608 I609 N614 K615 I616 I644 A647	V608-A612 WeakPolarHBondContact O-CB 3.47Å; V608-A612 PolarHBondContact O-N 3.11Å; I609-A612 PolarHBondContact O-N 2.79Å; A612-N614 PolarHBondContact O-N 2.85Å; A612-K615 PolarHBondContact O-N 3.49Å; A612-I616 WeakPolarHBondContact O-CD1 3.28Å; A612-I616 VanDerWaalsContact O-CG1 3.28Å; A612-I616 WeakPolarHBondContact O-CG1 3.33Å; A612-I616 PolarHBondContact O-N 2.82Å; A612-I644 HydrophobicContact CB-CB 4.31Å; A612-I644 HydrophobicContact CB-CG1 3.96Å; A612-I644 HydrophobicContact CB-CG2 4.29Å; A612-A647 HydrophobicContact CB-CB 4.22Å
613	A	78.7	Confident	73.7	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-37.7	176.5	0	0	0	0	0	113.1	L436 R440 I609 A610 N611 I616 T617 I644	L436-A613 HydrophobicContact CD2-CB 4.27Å; R440-A613 PolarHBondContact NH2-O 3.48Å; I609-A613 VanDerWaalsContact O-CB 3.32Å; I609-A613 WeakPolarHBondContact O-CB 3.05Å; I609-A613 PolarHBondContact O-N 3.16Å; A610-A613 PolarHBondContact O-N 3.27Å; N611-A613 VanDerWaalsContact C-N 3.35Å; A613-I616 PolarHBondContact O-N 2.88Å; A613-T617 PolarHBondContact O-N 2.9Å; A613-T617 VanDerWaalsContact O-N 3.13Å; A613-T617 PolarHBondContact O-OG1 2.9Å; A613-I644 HydrophobicContact CB-CD1 4.3Å
614	N	80.4	Confident	72.7	Confident	58 Å²	58	60.7 Å²	60.7	31%	0.31	32%	0.319	S	S	.	.	H	α-helix	trans	-70.2	-42.4	176.4	-73.4	5.9	0	0	0	111.5	A610 N611 A612 I616 T617 E618	A610-N614 WeakPolarHBondContact O-CB 3.36Å; A610-N614 PolarHBondContact O-N 3.4Å; A610-N614 PolarHBondContact O-OD1 2.87Å; N611-N614 PolarHBondContact O-N 2.83Å; A612-N614 PolarHBondContact O-N 2.85Å; N614-I616 PolarHBondContact O-N 2.87Å; N614-T617 VanDerWaalsContact CA-OG1 3.31Å; N614-T617 WeakPolarHBondContact CA-OG1 3.17Å; N614-T617 PolarHBondContact O-N 3.49Å; N614-T617 PolarHBondContact O-OG1 3.06Å; N614-E618 WeakPolarHBondContact O-CG 3.43Å; N614-E618 PolarHBondContact O-N 3.19Å
615	K	82.5	Confident	71.3	Confident	153 Å²	153	64.3 Å²	64.3	67%	0.665	34%	0.343	S	S	*	.	H	α-helix	trans	-59.4	-34.1	174.8	-171.6	178.9	-179.5	-176.9	0	112.3	N611 A612 S619	N611-K615 WeakPolarHBondContact O-CB 3.07Å; N611-K615 PolarHBondContact O-N 3.14Å; A612-K615 PolarHBondContact O-N 3.49Å; K615-S619 WeakPolarHBondContact O-CB 3.39Å; K615-S619 PolarHBondContact O-N 3.5Å
616	I	77.5	Confident	70.1	Confident	20 Å²	20	67.6 Å²	67.6	10%	0.103	37%	0.371	C	S	.	.	H	α-helix	trans	-67.9	-45.6	173.8	-71.8	159.8	0	0	0	110.7	A612 A613 N614 S619 R620 E640 I644	A612-I616 WeakPolarHBondContact O-CD1 3.28Å; A612-I616 VanDerWaalsContact O-CG1 3.28Å; A612-I616 WeakPolarHBondContact O-CG1 3.33Å; A612-I616 PolarHBondContact O-N 2.82Å; A613-I616 PolarHBondContact O-N 2.88Å; N614-I616 PolarHBondContact O-N 2.87Å; I616-S619 PolarHBondContact O-N 3.35Å; I616-S619 PolarHBondContact O-OG 3.35Å; I616-R620 PolarHBondContact O-N 3.42Å; I616-E640 HydrophobicContact CD1-CB 3.96Å; I616-E640 HydrophobicContact CD1-CG 4.43Å; I616-E640 WeakPolarHBondContact CD1-O 3.14Å; I616-E640 HydrophobicContact CG1-CB 4.42Å; I616-E640 HydrophobicContact CG1-CG 4.35Å; I616-E640 HydrophobicContact CG2-CB 4.03Å; I616-E640 HydrophobicContact CG2-CG 3.51Å; I616-I644 HydrophobicContact CD1-CD1 3.74Å; I616-I644 HydrophobicContact CD1-CG1 3.44Å; I616-I644 VanDerWaalsContact CD1-CG1 3.44Å
617	T	74.8	Confident	68.9	Low	37 Å²	37	73.8 Å²	73.8	23%	0.227	40%	0.403	C	S	.	.	H	α-helix	trans	-64.6	-43.5	177.2	44.5	0	0	0	0	112.7	A613 N614 S619 R620 E621	A613-T617 PolarHBondContact O-N 2.9Å; A613-T617 VanDerWaalsContact O-N 3.13Å; A613-T617 PolarHBondContact O-OG1 2.9Å; N614-T617 VanDerWaalsContact CA-OG1 3.31Å; N614-T617 WeakPolarHBondContact CA-OG1 3.17Å; N614-T617 PolarHBondContact O-N 3.49Å; N614-T617 PolarHBondContact O-OG1 3.06Å; T617-S619 PolarHBondContact O-N 2.82Å; T617-R620 WeakPolarHBondContact O-CB 3.45Å; T617-R620 PolarHBondContact O-N 3.43Å; T617-E621 PolarHBondContact O-N 2.83Å; T617-E621 VanDerWaalsContact O-N 3.12Å
618	E	76.1	Confident	67.7	Low	85 Å²	85	74.2 Å²	74.2	40%	0.397	40%	0.403	S	S	.	.	H	α-helix	trans	-57.5	-36.3	174.4	-71.9	168.3	-155.7	0	0	111.8	N614 R620 E621 N622	N614-E618 WeakPolarHBondContact O-CG 3.43Å; N614-E618 PolarHBondContact O-N 3.19Å; E618-R620 VanDerWaalsContact C-N 3.32Å; E618-R620 PolarHBondContact O-N 2.8Å; E618-E621 PolarHBondContact O-N 2.96Å; E618-N622 WeakPolarHBondContact O-CB 3.29Å; E618-N622 PolarHBondContact O-N 3.34Å; E618-N622 VanDerWaalsContact O-N 3.12Å; E618-N622 PolarHBondContact O-ND2 2.81Å
619	S	71.6	Confident	66.3	Low	70 Å²	70	80.9 Å²	80.9	49%	0.49	43%	0.431	S	S	.	.	H	α-helix	trans	-68.6	-30.1	176.2	78.8	0	0	0	0	113.2	K615 I616 T617 G623	K615-S619 WeakPolarHBondContact O-CB 3.39Å; K615-S619 PolarHBondContact O-N 3.5Å; I616-S619 PolarHBondContact O-N 3.35Å; I616-S619 PolarHBondContact O-OG 3.35Å; T617-S619 PolarHBondContact O-N 2.82Å; S619-G623 PolarHBondContact O-N 3.37Å; S619-G623 VanDerWaalsContact O-N 3.1Å
620	R	66.9	Low	65.7	Low	116 Å²	116	83.8 Å²	83.8	44%	0.438	46%	0.46	S	S	.	.	H	α-helix	trans	-72.7	-38.4	174.8	-72.9	-176.5	179.3	-167.3	-0.4	111.9	I616 T617 E618 G623 E640	I616-R620 PolarHBondContact O-N 3.42Å; T617-R620 WeakPolarHBondContact O-CB 3.45Å; T617-R620 PolarHBondContact O-N 3.43Å; E618-R620 VanDerWaalsContact C-N 3.32Å; E618-R620 PolarHBondContact O-N 2.8Å; R620-G623 PolarHBondContact O-N 3.33Å; R620-E640 IonicContact CZ-OE1 3.68Å; R620-E640 IonicContact CZ-OE2 2.75Å; R620-E640 IonicContact NE-OE1 3.7Å; R620-E640 PolarHBondContact NE-OE1 2.82Å; R620-E640 IonicContact NE-OE2 3.43Å; R620-E640 VanDerWaalsContact NH2-CD 3.32Å; R620-E640 IonicContact NH2-OE1 3.7Å; R620-E640 PolarHBondContact NH2-OE1 3.04Å; R620-E640 VanDerWaalsContact NH2-OE1 3.11Å; R620-E640 IonicContact NH2-OE2 3.7Å; R620-E640 PolarHBondContact NH2-OE2 2.88Å
621	E	64.2	Low	65.2	Low	145 Å²	145	91.8 Å²	91.8	68%	0.678	50%	0.497	S	S	*	.	H	α-helix	trans	-72.2	-35.3	179.1	-66.4	-170.1	176	0	0	112.7	T617 E618	T617-E621 PolarHBondContact O-N 2.83Å; T617-E621 VanDerWaalsContact O-N 3.12Å; E618-E621 PolarHBondContact O-N 2.96Å
622	N	66.2	Low	64.2	Low	143 Å²	143	93.8 Å²	93.8	77%	0.765	50%	0.504	S	S	*	.	H	α-helix	trans	-77.9	-23.6	175.4	-70.7	-51.6	0	0	0	113.2	E618	E618-N622 WeakPolarHBondContact O-CB 3.29Å; E618-N622 PolarHBondContact O-N 3.34Å; E618-N622 VanDerWaalsContact O-N 3.12Å; E618-N622 PolarHBondContact O-ND2 2.81Å
623	G	54.4	Low	63.1	Low	34 Å²	34	94.7 Å²	94.7	35%	0.351	51%	0.511	S	S	.	.	S	Bend	trans	-79.9	129.9	172.8	0	0	0	0	0	110.9	S619 R620 C625	S619-G623 PolarHBondContact O-N 3.37Å; S619-G623 VanDerWaalsContact O-N 3.1Å; R620-G623 PolarHBondContact O-N 3.33Å; G623-C625 PolarHBondContact O-N 3.1Å
624	I	44.8	Very low	62.3	Low	175 Å²	175	97.1 Å²	97.1	90%	0.897	53%	0.528	S	S	*	.			trans	-55.9	110.1	167.2	-59.9	168.5	0	0	0	106.6	A626	I624-A626 VanDerWaalsContact C-N 3.34Å; I624-A626 PolarHBondContact O-N 2.92Å
625	C	43.1	Very low	61.8	Low	107 Å²	107	96.8 Å²	96.8	72%	0.723	53%	0.528	S	S	*	.			trans	-56.9	93.1	-178.9	-78.6	0	0	0	0	110.6	G623 L627	G623-C625 PolarHBondContact O-N 3.1Å; C625-L627 PolarHBondContact O-N 2.84Å
626	A	46.6	Very low	61.1	Low	69 Å²	69	92.5 Å²	92.5	57%	0.57	51%	0.511	S	S	*	.			trans	-66.8	117.5	154.1	0	0	0	0	0	105.6	I624 E628	I624-A626 VanDerWaalsContact C-N 3.34Å; I624-A626 PolarHBondContact O-N 2.92Å; A626-E628 HydrophobicContact CB-CG 4.07Å; A626-E628 PolarHBondContact O-N 3.4Å
627	L	46.1	Very low	60.6	Low	147 Å²	147	94.1 Å²	94.1	77%	0.77	52%	0.521	S	S	*	.			trans	-65.1	85.5	165.1	-74.5	160.7	0	0	0	106.5	C625 F629	C625-L627 PolarHBondContact O-N 2.84Å; L627-F629 HydrophobicContact CB-CD2 4.47Å; L627-F629 HydrophobicContact CB-CE2 3.81Å; L627-F629 HydrophobicContact CB-CZ 4.31Å; L627-F629 VanDerWaalsContact O-CD2 3.25Å; L627-F629 WeakPolarHBondContact O-CD2 3.45Å
628	E	49.2	Very low	60.2	Low	73 Å²	73	95.9 Å²	95.9	34%	0.341	53%	0.527	S	S	.	.			trans	-74.9	125.4	176.4	-67.9	-176.6	-170.5	0	0	108.2	A626 E632 A633 Q636	A626-E628 HydrophobicContact CB-CG 4.07Å; A626-E628 PolarHBondContact O-N 3.4Å; E628-E632 HydrophobicContact CB-CB 4.16Å; E628-E632 HydrophobicContact CG-CB 4.46Å; E628-A633 HydrophobicContact CB-CB 4.43Å; E628-Q636 PolarHBondContact OE2-OE1 2.86Å
629	F	50.2	Low	60	Low	169 Å²	169	99 Å²	99	74%	0.741	54%	0.535	S	S	*	.			trans	-112.6	143.5	178.4	-69.9	-83.3	0	0	0	109.4	L627	L627-F629 HydrophobicContact CB-CD2 4.47Å; L627-F629 HydrophobicContact CB-CE2 3.81Å; L627-F629 HydrophobicContact CB-CZ 4.31Å; L627-F629 VanDerWaalsContact O-CD2 3.25Å; L627-F629 WeakPolarHBondContact O-CD2 3.45Å
630	G	66	Low	60	Low	60 Å²	60	97.1 Å²	97.1	62%	0.619	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-136.6	171.6	0	0	0	0	0	114.4	E632 A633 S634	G630-E632 VanDerWaalsContact C-N 3.26Å; G630-E632 PolarHBondContact O-N 2.86Å; G630-A633 PolarHBondContact O-N 3.43Å; G630-S634 PolarHBondContact O-N 3.01Å
631	E	64.2	Low	60.1	Low	171 Å²	171	92 Å²	92	80%	0.799	50%	0.5	S	S	*	.	H	α-helix	trans	-58.9	-34.1	-174.1	-67.6	-177.1	169.3	0	0	112.8	S634 T635	E631-S634 PolarHBondContact O-N 3.44Å; E631-T635 VanDerWaalsContact O-CG2 3.26Å; E631-T635 WeakPolarHBondContact O-CG2 3.41Å; E631-T635 PolarHBondContact O-N 2.71Å
632	E	61.7	Low	60.5	Low	121 Å²	121	90.6 Å²	90.6	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-62.7	-48.1	-179.9	-70	-179.4	166.7	0	0	111.8	E628 G630 S634 T635 Q636	E628-E632 HydrophobicContact CB-CB 4.16Å; E628-E632 HydrophobicContact CG-CB 4.46Å; G630-E632 VanDerWaalsContact C-N 3.26Å; G630-E632 PolarHBondContact O-N 2.86Å; E632-S634 VanDerWaalsContact C-N 3.34Å; E632-S634 PolarHBondContact O-N 3.18Å; E632-T635 PolarHBondContact O-N 2.76Å; E632-T635 PolarHBondContact O-OG1 3.34Å; E632-Q636 PolarHBondContact O-N 3.37Å
633	A	59.5	Low	61.1	Low	31 Å²	31	86.9 Å²	86.9	26%	0.256	48%	0.477	S	S	.	.	H	α-helix	trans	-61.2	-41.2	175.3	0	0	0	0	0	112.2	E628 G630 Q636 V637	E628-A633 HydrophobicContact CB-CB 4.43Å; G630-A633 PolarHBondContact O-N 3.43Å; A633-Q636 PolarHBondContact O-N 3.33Å; A633-V637 WeakPolarHBondContact O-CG2 3.4Å; A633-V637 PolarHBondContact O-N 2.66Å
634	S	62.7	Low	62.2	Low	56 Å²	56	85.4 Å²	85.4	39%	0.392	46%	0.461	S	S	.	.	H	α-helix	trans	-61.1	-45.7	175.3	-166.5	0	0	0	0	111.2	G630 E631 E632 Q636 V637 E638	G630-S634 PolarHBondContact O-N 3.01Å; E631-S634 PolarHBondContact O-N 3.44Å; E632-S634 VanDerWaalsContact C-N 3.34Å; E632-S634 PolarHBondContact O-N 3.18Å; S634-Q636 VanDerWaalsContact C-N 3.28Å; S634-Q636 PolarHBondContact O-N 2.86Å; S634-V637 PolarHBondContact O-N 3.02Å; S634-E638 WeakPolarHBondContact O-CG 3.42Å; S634-E638 PolarHBondContact O-N 3.09Å
635	T	68.7	Low	63.6	Low	50 Å²	50	78.1 Å²	78.1	31%	0.307	42%	0.423	S	S	.	.	H	α-helix	trans	-66.1	-31.4	177.4	67.8	0	0	0	0	112.6	E631 E632 R639	E631-T635 VanDerWaalsContact O-CG2 3.26Å; E631-T635 WeakPolarHBondContact O-CG2 3.41Å; E631-T635 PolarHBondContact O-N 2.71Å; E632-T635 PolarHBondContact O-N 2.76Å; E632-T635 PolarHBondContact O-OG1 3.34Å; T635-R639 VanDerWaalsContact O-CG 3.26Å; T635-R639 WeakPolarHBondContact O-CG 3.34Å; T635-R639 PolarHBondContact O-N 3.21Å; T635-R639 PolarHBondContact OG1-NH1 3.1Å; T635-R639 PolarHBondContact OG1-NH2 2.65Å
636	Q	68.1	Low	65.2	Low	64 Å²	64	77.8 Å²	77.8	30%	0.299	41%	0.414	S	S	.	.	H	α-helix	trans	-68.7	-48.8	176.8	-172.5	175.6	21.3	0	0	111.2	E628 E632 A633 S634 E638 R639 E640	E628-Q636 PolarHBondContact OE2-OE1 2.86Å; E632-Q636 PolarHBondContact O-N 3.37Å; A633-Q636 PolarHBondContact O-N 3.33Å; S634-Q636 VanDerWaalsContact C-N 3.28Å; S634-Q636 PolarHBondContact O-N 2.86Å; Q636-E638 VanDerWaalsContact C-N 3.3Å; Q636-E638 PolarHBondContact O-N 3.42Å; Q636-R639 PolarHBondContact O-N 3.24Å; Q636-R639 VanDerWaalsContact O-N 3.09Å; Q636-E640 WeakPolarHBondContact O-CG 3.36Å; Q636-E640 PolarHBondContact O-N 3.38Å
637	V	67.2	Low	66.8	Low	54 Å²	54	76.1 Å²	76.1	33%	0.327	40%	0.4	S	S	.	.	H	α-helix	trans	-56.7	-46.1	175	173.3	0	0	0	0	110.3	A633 S634 R639 E640 D641	A633-V637 WeakPolarHBondContact O-CG2 3.4Å; A633-V637 PolarHBondContact O-N 2.66Å; S634-V637 PolarHBondContact O-N 3.02Å; V637-R639 VanDerWaalsContact C-N 3.33Å; V637-R639 PolarHBondContact O-N 2.83Å; V637-E640 PolarHBondContact O-N 3.39Å; V637-D641 WeakPolarHBondContact O-CB 3.47Å; V637-D641 PolarHBondContact O-N 3.18Å
638	E	67.4	Low	68.3	Low	74 Å²	74	69.2 Å²	69.2	35%	0.346	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-36.4	176.1	-76.3	-175.2	-162	0	0	113.9	S634 Q636 K642	S634-E638 WeakPolarHBondContact O-CG 3.42Å; S634-E638 PolarHBondContact O-N 3.09Å; Q636-E638 VanDerWaalsContact C-N 3.3Å; Q636-E638 PolarHBondContact O-N 3.42Å; E638-K642 WeakPolarHBondContact O-CB 3.31Å; E638-K642 VanDerWaalsContact O-CG 3.24Å; E638-K642 WeakPolarHBondContact O-CG 3.46Å; E638-K642 PolarHBondContact O-N 2.75Å; E638-K642 IonicContact OE2-NZ 3.11Å
639	R	70.7	Confident	69.5	Low	151 Å²	151	68.1 Å²	68.1	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-69.2	-43.4	177	-77.6	-179.5	-148.8	105.3	4.6	111.4	T635 Q636 V637 D641 K642 S643	T635-R639 VanDerWaalsContact O-CG 3.26Å; T635-R639 WeakPolarHBondContact O-CG 3.34Å; T635-R639 PolarHBondContact O-N 3.21Å; T635-R639 PolarHBondContact OG1-NH1 3.1Å; T635-R639 PolarHBondContact OG1-NH2 2.65Å; Q636-R639 PolarHBondContact O-N 3.24Å; Q636-R639 VanDerWaalsContact O-N 3.09Å; V637-R639 VanDerWaalsContact C-N 3.33Å; V637-R639 PolarHBondContact O-N 2.83Å; R639-D641 VanDerWaalsContact C-N 3.34Å; R639-K642 PolarHBondContact O-N 2.8Å; R639-S643 PolarHBondContact O-N 3Å
640	E	72.7	Confident	70.9	Confident	30 Å²	30	62.7 Å²	62.7	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-48.5	175.6	-72.3	178.3	179.7	0	0	110.2	I616 R620 Q636 V637 K642 S643 I644	I616-E640 HydrophobicContact CD1-CB 3.96Å; I616-E640 HydrophobicContact CD1-CG 4.43Å; I616-E640 WeakPolarHBondContact CD1-O 3.14Å; I616-E640 HydrophobicContact CG1-CB 4.42Å; I616-E640 HydrophobicContact CG1-CG 4.35Å; I616-E640 HydrophobicContact CG2-CB 4.03Å; I616-E640 HydrophobicContact CG2-CG 3.51Å; R620-E640 IonicContact CZ-OE1 3.68Å; R620-E640 IonicContact CZ-OE2 2.75Å; R620-E640 IonicContact NE-OE1 3.7Å; R620-E640 PolarHBondContact NE-OE1 2.82Å; R620-E640 IonicContact NE-OE2 3.43Å; R620-E640 VanDerWaalsContact NH2-CD 3.32Å; R620-E640 IonicContact NH2-OE1 3.7Å; R620-E640 PolarHBondContact NH2-OE1 3.04Å; R620-E640 VanDerWaalsContact NH2-OE1 3.11Å; R620-E640 IonicContact NH2-OE2 3.7Å; R620-E640 PolarHBondContact NH2-OE2 2.88Å; Q636-E640 WeakPolarHBondContact O-CG 3.36Å; Q636-E640 PolarHBondContact O-N 3.38Å; V637-E640 PolarHBondContact O-N 3.39Å; E640-K642 PolarHBondContact O-N 3.28Å; E640-S643 WeakPolarHBondContact O-CA 3.44Å; E640-S643 WeakPolarHBondContact O-CB 3.38Å; E640-S643 PolarHBondContact O-N 3.31Å; E640-I644 WeakPolarHBondContact O-CG1 3.37Å; E640-I644 PolarHBondContact O-N 2.94Å
641	D	69.1	Low	71.5	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-44.5	176.8	-89.3	-3.9	0	0	0	113.4	S429 T430 V637 R639 S643 I644 H645	S429-D641 VanDerWaalsContact C-OD2 3.31Å; S429-D641 WeakPolarHBondContact CA-OD2 3.11Å; S429-D641 WeakPolarHBondContact CB-OD2 3.36Å; S429-D641 PolarHBondContact OG-OD2 3.01Å; T430-D641 HydrophobicContact CG2-CB 4.21Å; T430-D641 PolarHBondContact N-OD2 2.84Å; T430-D641 WeakPolarHBondContact OG1-CA 3.4Å; T430-D641 WeakPolarHBondContact OG1-CB 3.35Å; T430-D641 PolarHBondContact OG1-O 3.3Å; T430-D641 PolarHBondContact OG1-OD1 3.39Å; T430-D641 PolarHBondContact OG1-OD2 2.83Å; V637-D641 WeakPolarHBondContact O-CB 3.47Å; V637-D641 PolarHBondContact O-N 3.18Å; R639-D641 VanDerWaalsContact C-N 3.34Å; D641-S643 VanDerWaalsContact C-N 3.3Å; D641-S643 PolarHBondContact O-N 3.35Å; D641-I644 PolarHBondContact O-N 3.34Å; D641-H645 WeakPolarHBondContact O-CB 3.46Å; D641-H645 PolarHBondContact O-N 2.86Å
642	K	72	Confident	71.7	Confident	116 Å²	116	56.3 Å²	56.3	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-61.7	-39	172.2	-78.8	168.5	-176.4	156.4	0	111.3	E638 R639 E640 H645 D646	E638-K642 WeakPolarHBondContact O-CB 3.31Å; E638-K642 VanDerWaalsContact O-CG 3.24Å; E638-K642 WeakPolarHBondContact O-CG 3.46Å; E638-K642 PolarHBondContact O-N 2.75Å; E638-K642 IonicContact OE2-NZ 3.11Å; R639-K642 PolarHBondContact O-N 2.8Å; E640-K642 PolarHBondContact O-N 3.28Å; K642-H645 PolarHBondContact O-N 3.17Å; K642-D646 WeakPolarHBondContact O-CB 3.5Å; K642-D646 PolarHBondContact O-N 3.11Å
643	S	78.8	Confident	72.2	Confident	66 Å²	66	55.6 Å²	55.6	46%	0.462	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-41.5	178.4	-171.9	0	0	0	0	112.7	R639 E640 D641 A647	R639-S643 PolarHBondContact O-N 3Å; E640-S643 WeakPolarHBondContact O-CA 3.44Å; E640-S643 WeakPolarHBondContact O-CB 3.38Å; E640-S643 PolarHBondContact O-N 3.31Å; D641-S643 VanDerWaalsContact C-N 3.3Å; D641-S643 PolarHBondContact O-N 3.35Å; S643-A647 WeakPolarHBondContact O-CB 3.4Å; S643-A647 PolarHBondContact O-N 3.42Å; S643-A647 VanDerWaalsContact O-N 3.07Å
644	I	78.2	Confident	72.9	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-64.6	-44.9	175	-59.6	172.5	0	0	0	110	F431 L436 I609 A612 A613 I616 E640 D641 A647 L648	F431-I644 HydrophobicContact CD2-CB 4.36Å; F431-I644 HydrophobicContact CD2-CD1 4.14Å; F431-I644 HydrophobicContact CD2-CG2 4.19Å; F431-I644 HydrophobicContact CE1-CG2 4.3Å; F431-I644 HydrophobicContact CE2-CB 3.73Å; F431-I644 HydrophobicContact CE2-CD1 4.3Å; F431-I644 HydrophobicContact CE2-CG2 3.31Å; F431-I644 HydrophobicContact CZ-CB 4.33Å; F431-I644 HydrophobicContact CZ-CG2 3.4Å; F431-I644 VanDerWaalsContact CZ-CG2 3.4Å; L436-I644 HydrophobicContact CD2-CD1 4.07Å; I609-I644 HydrophobicContact CB-CG2 4.41Å; I609-I644 HydrophobicContact CG1-CG2 4.29Å; I609-I644 HydrophobicContact CG2-CG2 4.11Å; A612-I644 HydrophobicContact CB-CB 4.31Å; A612-I644 HydrophobicContact CB-CG1 3.96Å; A612-I644 HydrophobicContact CB-CG2 4.29Å; A613-I644 HydrophobicContact CB-CD1 4.3Å; I616-I644 HydrophobicContact CD1-CD1 3.74Å; I616-I644 HydrophobicContact CD1-CG1 3.44Å; I616-I644 VanDerWaalsContact CD1-CG1 3.44Å; E640-I644 WeakPolarHBondContact O-CG1 3.37Å; E640-I644 PolarHBondContact O-N 2.94Å; D641-I644 PolarHBondContact O-N 3.34Å; I644-A647 PolarHBondContact O-N 3.32Å; I644-L648 PolarHBondContact O-N 2.92Å
645	H	73	Confident	73.2	Confident	21 Å²	21	60.7 Å²	60.7	10%	0.097	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-45.7	179.5	-172.6	68.4	0	0	0	112.5	D641 K642 A647 L648 I649 Y665 M669 P670	D641-H645 WeakPolarHBondContact O-CB 3.46Å; D641-H645 PolarHBondContact O-N 2.86Å; K642-H645 PolarHBondContact O-N 3.17Å; H645-A647 VanDerWaalsContact C-N 3.32Å; H645-A647 PolarHBondContact O-N 3.24Å; H645-L648 WeakPolarHBondContact O-CB 3.3Å; H645-L648 PolarHBondContact O-N 3.33Å; H645-I649 WeakPolarHBondContact NE2-CD1 3.37Å; H645-I649 WeakPolarHBondContact O-CG1 3.31Å; H645-I649 PolarHBondContact O-N 3.42Å; H645-Y665 AromaticContact CE1-CE1 3.78Å; H645-M669 PolarHBondContact CE1-O 2.76Å; H645-P670 PolarHBondContact ND1-O 3.28Å
646	D	76.7	Confident	72.9	Confident	101 Å²	101	60.7 Å²	60.7	54%	0.54	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-37.7	177.3	-74.5	-18.9	0	0	0	111.9	K642 I649 S650	K642-D646 WeakPolarHBondContact O-CB 3.5Å; K642-D646 PolarHBondContact O-N 3.11Å; D646-I649 PolarHBondContact O-N 3.04Å; D646-S650 VanDerWaalsContact O-CB 3.25Å; D646-S650 WeakPolarHBondContact O-CB 3.33Å; D646-S650 PolarHBondContact O-N 3.38Å
647	A	81.2	Confident	72.2	Confident	33 Å²	33	60.8 Å²	60.8	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-43.1	174.8	0	0	0	0	0	111.6	V608 A612 S643 I644 H645 S650 H651	V608-A647 HydrophobicContact CG1-CB 3.96Å; A612-A647 HydrophobicContact CB-CB 4.22Å; S643-A647 WeakPolarHBondContact O-CB 3.4Å; S643-A647 PolarHBondContact O-N 3.42Å; S643-A647 VanDerWaalsContact O-N 3.07Å; I644-A647 PolarHBondContact O-N 3.32Å; H645-A647 VanDerWaalsContact C-N 3.32Å; H645-A647 PolarHBondContact O-N 3.24Å; A647-S650 PolarHBondContact O-N 2.71Å; A647-H651 WeakPolarHBondContact O-CB 3.38Å; A647-H651 PolarHBondContact O-N 2.92Å
648	L	76.6	Confident	71.4	Confident	2 Å²	2	67 Å²	67	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-47	176.8	-177.9	65.9	0	0	0	111.8	D605 I609 I644 H645 S650 H651 R652	D605-L648 HydrophobicContact CB-CD1 3.66Å; D605-L648 WeakPolarHBondContact OD1-CD1 3.28Å; I609-L648 HydrophobicContact CD1-CD1 4.35Å; I609-L648 HydrophobicContact CD1-CD2 4.37Å; I609-L648 HydrophobicContact CG1-CD1 4.36Å; I644-L648 PolarHBondContact O-N 2.92Å; H645-L648 WeakPolarHBondContact O-CB 3.3Å; H645-L648 PolarHBondContact O-N 3.33Å; L648-S650 VanDerWaalsContact C-N 3.35Å; L648-S650 PolarHBondContact O-N 2.89Å; L648-H651 PolarHBondContact O-N 2.64Å; L648-R652 PolarHBondContact O-N 2.94Å
649	I	75.6	Confident	70.1	Confident	50 Å²	50	70.4 Å²	70.4	26%	0.256	36%	0.36	S	S	.	.	H	α-helix	trans	-60.2	-45.8	176.7	-72.1	176.1	0	0	0	110.6	H645 D646 H651 R652 N653 Y665	H645-I649 WeakPolarHBondContact NE2-CD1 3.37Å; H645-I649 WeakPolarHBondContact O-CG1 3.31Å; H645-I649 PolarHBondContact O-N 3.42Å; D646-I649 PolarHBondContact O-N 3.04Å; I649-H651 VanDerWaalsContact C-N 3.33Å; I649-H651 PolarHBondContact O-N 2.65Å; I649-R652 PolarHBondContact O-N 2.94Å; I649-N653 WeakPolarHBondContact CG2-ND2 3.37Å; I649-N653 WeakPolarHBondContact O-CB 3.33Å; I649-N653 PolarHBondContact O-N 3.27Å; I649-N653 PolarHBondContact O-ND2 2.93Å; I649-Y665 HydrophobicContact CD1-CE1 4.49Å
650	S	79	Confident	68.5	Low	56 Å²	56	71.9 Å²	71.9	39%	0.392	38%	0.379	S	S	.	.	H	α-helix	trans	-59.8	-43.2	177.9	-173.5	0	0	0	0	112	D646 A647 L648 K654	D646-S650 VanDerWaalsContact O-CB 3.25Å; D646-S650 WeakPolarHBondContact O-CB 3.33Å; D646-S650 PolarHBondContact O-N 3.38Å; A647-S650 PolarHBondContact O-N 2.71Å; L648-S650 VanDerWaalsContact C-N 3.35Å; L648-S650 PolarHBondContact O-N 2.89Å; S650-K654 VanDerWaalsContact O-CG 3.31Å; S650-K654 WeakPolarHBondContact O-CG 3.45Å; S650-K654 PolarHBondContact O-N 3.27Å
651	H	78.6	Confident	66.9	Low	39 Å²	39	72.9 Å²	72.9	18%	0.181	40%	0.397	C	S	.	.	H	α-helix	trans	-62.3	-49	176.7	169.8	-111.2	0	0	0	112.2	S604 D605 V608 A647 L648 I649 K654 I655	S604-H651 VanDerWaalsContact CB-CE1 3.45Å; S604-H651 WeakPolarHBondContact CB-CE1 3.21Å; S604-H651 PolarHBondContact OG-CE1 3.47Å; S604-H651 VanDerWaalsContact OG-CE1 3.28Å; D605-H651 IonicContact OD1-CE1 3.74Å; D605-H651 PolarHBondContact OD1-CE1 3.37Å; D605-H651 VanDerWaalsContact OD1-CE1 3.3Å; D605-H651 IonicContact OD1-ND1 2.95Å; D605-H651 PolarHBondContact OD1-ND1 3.44Å; V608-H651 HydrophobicContact CG1-CB 4.21Å; V608-H651 HydrophobicContact CG2-CB 3.87Å; A647-H651 WeakPolarHBondContact O-CB 3.38Å; A647-H651 PolarHBondContact O-N 2.92Å; L648-H651 PolarHBondContact O-N 2.64Å; I649-H651 VanDerWaalsContact C-N 3.33Å; I649-H651 PolarHBondContact O-N 2.65Å; H651-K654 WeakPolarHBondContact O-CB 3.42Å; H651-K654 PolarHBondContact O-N 3.49Å; H651-I655 WeakPolarHBondContact CE1-CD1 3.1Å; H651-I655 WeakPolarHBondContact NE2-CD1 3.45Å; H651-I655 WeakPolarHBondContact O-CG1 3.06Å; H651-I655 PolarHBondContact O-N 3.41Å
652	R	68	Low	65.2	Low	57 Å²	57	82.5 Å²	82.5	22%	0.215	44%	0.439	C	S	.	.	H	α-helix	trans	-65.9	-42.2	179.7	-75.6	-174.6	164.8	-148.9	-2.5	112.9	D605 L648 I649 K654 I655 D656 P672	D605-R652 IonicContact OD1-NE 2.66Å; D605-R652 IonicContact OD2-CZ 2.84Å; D605-R652 VanDerWaalsContact OD2-CZ 3.28Å; D605-R652 IonicContact OD2-NE 3.46Å; D605-R652 PolarHBondContact OD2-NE 3.22Å; D605-R652 IonicContact OD2-NH2 3.2Å; D605-R652 PolarHBondContact OD2-NH2 3.17Å; L648-R652 PolarHBondContact O-N 2.94Å; I649-R652 PolarHBondContact O-N 2.94Å; R652-K654 PolarHBondContact O-N 3.37Å; R652-I655 CarbonylContact O-C 3.51Å; R652-I655 WeakPolarHBondContact O-CA 3.47Å; R652-I655 WeakPolarHBondContact O-CB 3.22Å; R652-I655 PolarHBondContact O-N 2.86Å; R652-D656 PolarHBondContact O-N 2.96Å; R652-P672 VanDerWaalsContact CZ-CG 3.48Å
653	N	73	Confident	63.8	Low	106 Å²	106	80.2 Å²	80.2	57%	0.567	44%	0.441	S	S	*	.	H	α-helix	trans	-59	-34	174.6	-76.9	-24.5	0	0	0	112.5	I649 I655 G657	I649-N653 WeakPolarHBondContact CG2-ND2 3.37Å; I649-N653 WeakPolarHBondContact O-CB 3.33Å; I649-N653 PolarHBondContact O-N 3.27Å; I649-N653 PolarHBondContact O-ND2 2.93Å; N653-I655 VanDerWaalsContact C-N 3.34Å; N653-G657 PolarHBondContact O-N 3.03Å
654	K	74.6	Confident	62	Low	153 Å²	153	85.2 Å²	85.2	67%	0.665	46%	0.462	S	S	*	.	H	α-helix	trans	-68.1	-32.5	173.5	-73.5	169.8	-176.5	173.5	0	112.8	S650 H651 R652	S650-K654 VanDerWaalsContact O-CG 3.31Å; S650-K654 WeakPolarHBondContact O-CG 3.45Å; S650-K654 PolarHBondContact O-N 3.27Å; H651-K654 WeakPolarHBondContact O-CB 3.42Å; H651-K654 PolarHBondContact O-N 3.49Å; R652-K654 PolarHBondContact O-N 3.37Å
655	I	67.2	Low	60.5	Low	41 Å²	41	88.6 Å²	88.6	21%	0.21	48%	0.475	C	S	.	.	H	α-helix	trans	-76.7	-51.2	177.4	-65.1	167.4	0	0	0	110.6	H601 H651 R652 N653 G657 K658	H601-I655 VanDerWaalsContact CE1-CG2 3.45Å; H601-I655 WeakPolarHBondContact CE1-CG2 3.24Å; H651-I655 WeakPolarHBondContact CE1-CD1 3.1Å; H651-I655 WeakPolarHBondContact NE2-CD1 3.45Å; H651-I655 WeakPolarHBondContact O-CG1 3.06Å; H651-I655 PolarHBondContact O-N 3.41Å; R652-I655 CarbonylContact O-C 3.51Å; R652-I655 WeakPolarHBondContact O-CA 3.47Å; R652-I655 WeakPolarHBondContact O-CB 3.22Å; R652-I655 PolarHBondContact O-N 2.86Å; N653-I655 VanDerWaalsContact C-N 3.34Å; I655-G657 PolarHBondContact O-N 2.98Å; I655-K658 PolarHBondContact O-N 3.46Å; I655-K658 VanDerWaalsContact O-N 3.13Å
656	D	62.5	Low	59.2	Low	51 Å²	51	91.8 Å²	91.8	27%	0.273	49%	0.493	S	S	.	.	H	α-helix	trans	-65.8	-26.6	-179.5	-75.3	-17.8	0	0	0	111.9	R652 K658 H659	R652-D656 PolarHBondContact O-N 2.96Å; D656-K658 PolarHBondContact O-N 2.84Å; D656-H659 CarbonylContact O-C 3.57Å; D656-H659 PolarHBondContact O-N 3.05Å
657	G	54.7	Low	57.8	Low	66 Å²	66	91.9 Å²	91.9	68%	0.68	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-13.1	171.2	0	0	0	0	0	115	N653 I655	N653-G657 PolarHBondContact O-N 3.03Å; I655-G657 PolarHBondContact O-N 2.98Å
658	K	50.5	Low	56.2	Low	184 Å²	184	99.1 Å²	99.1	80%	0.8	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-14.3	172.3	-72.3	-179.2	177.3	175.9	0	114.5	I655 D656	I655-K658 PolarHBondContact O-N 3.46Å; I655-K658 VanDerWaalsContact O-N 3.13Å; D656-K658 PolarHBondContact O-N 2.84Å
659	H	38.9	Very low	54.9	Low	145 Å²	145	102.7 Å²	102.7	67%	0.671	54%	0.542	S	S	*	.	S	Bend	trans	-124.1	118.6	178.6	-75.9	-74.1	0	0	0	109.8	D656 G661	D656-H659 CarbonylContact O-C 3.57Å; D656-H659 PolarHBondContact O-N 3.05Å; H659-G661 PolarHBondContact O-N 2.73Å
660	N	37.1	Very low	53.8	Low	183 Å²	183	102.4 Å²	102.4	98%	0.979	54%	0.543	S	S	*	.	S	Bend	trans	-62.2	23.7	-175.7	-81.4	-18.9	0	0	0	116.7
661	G	39.2	Very low	52.8	Low	50 Å²	50	100.3 Å²	100.3	52%	0.515	53%	0.527	S	S	.	.			trans	-97.4	114.4	170.4	0	0	0	0	0	110.7	H659 A663	H659-G661 PolarHBondContact O-N 2.73Å; G661-A663 PolarHBondContact O-N 3.03Å; G661-A663 VanDerWaalsContact O-N 3.08Å
662	K	33.7	Very low	51.9	Low	210 Å²	210	98.9 Å²	98.9	91%	0.913	52%	0.522	S	S	*	.			trans	-64.8	105.4	164.2	-72.2	179.5	175.5	-179	0	108.1	L664	K662-L664 PolarHBondContact O-N 3.14Å
663	A	42.3	Very low	51.7	Low	67 Å²	67	97.3 Å²	97.3	55%	0.554	52%	0.519	S	S	*	.			trans	-62.4	120.3	160.7	0	0	0	0	0	107.6	G661 Y665	G661-A663 PolarHBondContact O-N 3.03Å; G661-A663 VanDerWaalsContact O-N 3.08Å; A663-Y665 VanDerWaalsContact C-N 3.31Å; A663-Y665 PolarHBondContact O-N 3.3Å; A663-Y665 VanDerWaalsContact O-N 3.07Å
664	L	42.3	Very low	51.2	Low	171 Å²	171	96 Å²	96	90%	0.895	51%	0.51	S	S	*	.			trans	-79.3	85.6	174.6	-171.7	73.4	0	0	0	106.9	K662	K662-L664 PolarHBondContact O-N 3.14Å
665	Y	46.2	Very low	50.8	Low	75 Å²	75	89.1 Å²	89.1	29%	0.294	48%	0.481	S	S	.	.			trans	-82	132.1	178.2	-164.8	-92.5	0	0	0	109.9	H645 I649 A663 P667 M669 P670 P672	H645-Y665 AromaticContact CE1-CE1 3.78Å; I649-Y665 HydrophobicContact CD1-CE1 4.49Å; A663-Y665 VanDerWaalsContact C-N 3.31Å; A663-Y665 PolarHBondContact O-N 3.3Å; A663-Y665 VanDerWaalsContact O-N 3.07Å; Y665-P667 VanDerWaalsContact O-CD 3.28Å; Y665-P667 WeakPolarHBondContact O-CD 3.21Å; Y665-M669 WeakPolarHBondContact CE1-O 3.41Å; Y665-M669 VanDerWaalsContact CZ-O 3.23Å; Y665-M669 PolarHBondContact OH-O 3.1Å; Y665-P670 PolarHBondContact OH-O 3.27Å; Y665-P672 HydrophobicContact CE2-CG 4.09Å
666	D	46.3	Very low	51.3	Low	88 Å²	88	87.7 Å²	87.7	47%	0.471	47%	0.473	S	S	.	.			trans	-81.1	113.4	168.2	-173	-4.3	0	0	0	108.8	K668 M669	D666-K668 PolarHBondContact O-N 2.9Å; D666-K668 WeakPolarHBondContact OD1-CB 3.28Å; D666-K668 PolarHBondContact OD1-N 2.8Å; D666-M669 HydrophobicContact CB-CB 4.42Å; D666-M669 PolarHBondContact O-N 2.85Å
667	P	45.7	Very low	52.3	Low	102 Å²	102	85.8 Å²	85.8	66%	0.662	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-12	175.3	24	-32.6	0	0	0	113.7	Y665	Y665-P667 VanDerWaalsContact O-CD 3.28Å; Y665-P667 WeakPolarHBondContact O-CD 3.21Å
668	K	48.1	Very low	53.9	Low	185 Å²	185	82.9 Å²	82.9	80%	0.804	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-11	172.9	-63.6	-176.1	175.4	-175.7	0	114.2	D666	D666-K668 PolarHBondContact O-N 2.9Å; D666-K668 WeakPolarHBondContact OD1-CB 3.28Å; D666-K668 PolarHBondContact OD1-N 2.8Å
669	M	48.5	Very low	55.7	Low	78 Å²	78	76.8 Å²	76.8	38%	0.384	41%	0.406	S	S	.	.			trans	-99.3	116	179.9	-156.6	179.5	-170.1	0	0	109.8	H645 Y665 D666 P673	H645-M669 PolarHBondContact CE1-O 2.76Å; Y665-M669 WeakPolarHBondContact CE1-O 3.41Å; Y665-M669 VanDerWaalsContact CZ-O 3.23Å; Y665-M669 PolarHBondContact OH-O 3.1Å; D666-M669 HydrophobicContact CB-CB 4.42Å; D666-M669 PolarHBondContact O-N 2.85Å; M669-P673 HydrophobicContact CE-CB 4.24Å; M669-P673 VanDerWaalsContact CE-CD 3.44Å; M669-P673 HydrophobicContact CE-CG 3.85Å
670	P	54.4	Low	58.2	Low	43 Å²	43	70.1 Å²	70.1	28%	0.279	38%	0.376	S	S	.	.	S	Bend	trans	-71.7	-33	-170.1	21.9	-30.5	0	0	0	114.5	T430 H645 Y665	T430-P670 VanDerWaalsContact CB-CB 3.44Å; T430-P670 HydrophobicContact CG2-CB 3.72Å; H645-P670 PolarHBondContact ND1-O 3.28Å; Y665-P670 PolarHBondContact OH-O 3.27Å
671	I	57.1	Low	60.7	Low	12 Å²	12	65.1 Å²	65.1	6%	0.062	35%	0.345	C	S	.	.	S	Bend	trans	-144.7	137.2	174.8	-44.7	170.2	0	0	0	107.2	F431 F439 A675	F431-I671 HydrophobicContact CD1-CD1 3.71Å; F431-I671 HydrophobicContact CE1-CD1 3.1Å; F431-I671 HydrophobicContact CE1-CG1 3.77Å; F431-I671 HydrophobicContact CZ-CD1 3.64Å; F431-I671 HydrophobicContact CZ-CG1 3.73Å; F439-I671 HydrophobicContact CE2-CD1 3.66Å; F439-I671 HydrophobicContact CZ-CD1 3.6Å; F439-I671 HydrophobicContact CZ-CG2 4.45Å; I671-A675 HydrophobicContact CG2-CB 3.93Å
672	P	59.8	Low	62.9	Low	10 Å²	10	63.2 Å²	63.2	7%	0.065	32%	0.323	C	S	.	.			trans	-56.9	131.8	164.9	-8.4	14.6	0	0	0	109.2	R652 Y665 E674 A675	R652-P672 VanDerWaalsContact CZ-CG 3.48Å; Y665-P672 HydrophobicContact CE2-CG 4.09Å; P672-E674 WeakPolarHBondContact CB-OE2 3.46Å; P672-E674 PolarHBondContact O-N 2.77Å; P672-A675 PolarHBondContact O-N 2.9Å
673	P	63	Low	65.5	Low	23 Å²	23	53.8 Å²	53.8	15%	0.149	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-62.2	-20.1	-175.5	28.4	-31.2	0	0	0	111.1	M669 A675 E759	M669-P673 HydrophobicContact CE-CB 4.24Å; M669-P673 VanDerWaalsContact CE-CD 3.44Å; M669-P673 HydrophobicContact CE-CG 3.85Å; P673-A675 VanDerWaalsContact C-N 3.34Å; P673-A675 PolarHBondContact O-N 2.86Å; P673-E759 HydrophobicContact CB-CG 3.77Å; P673-E759 WeakPolarHBondContact CB-OE1 3.3Å; P673-E759 HydrophobicContact CG-CG 4.28Å
674	E	62.7	Low	67.9	Low	80 Å²	80	50.7 Å²	50.7	37%	0.374	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-72	-20.9	176.7	-47.9	90.4	178.1	0	0	114.1	R595 A597 A599 P672	R595-E674 PolarHBondContact NE-O 3.29Å; R595-E674 PolarHBondContact NH2-O 2.91Å; A597-E674 HydrophobicContact CB-CB 4.18Å; A597-E674 HydrophobicContact CB-CG 3.9Å; A599-E674 WeakPolarHBondContact CB-O 3.47Å; P672-E674 WeakPolarHBondContact CB-OE2 3.46Å; P672-E674 PolarHBondContact O-N 2.77Å
675	A	67.8	Low	70.4	Confident	7 Å²	7	42.6 Å²	42.6	6%	0.058	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-84.6	-16.8	-178.8	0	0	0	0	0	113	I671 P672 P673	I671-A675 HydrophobicContact CG2-CB 3.93Å; P672-A675 PolarHBondContact O-N 2.9Å; P673-A675 VanDerWaalsContact C-N 3.34Å; P673-A675 PolarHBondContact O-N 2.86Å
676	E	77.1	Confident	72.7	Confident	11 Å²	11	39.1 Å²	39.1	5%	0.051	20%	0.201	C	C	.	.	S	Bend	trans	-73.2	137.5	-173.7	-160.4	178.3	161.1	0	0	112.1	F439 R595 R741	F439-E676 HydrophobicContact CE2-CG 3.89Å; F439-E676 HydrophobicContact CZ-CB 4.15Å; F439-E676 HydrophobicContact CZ-CG 3.78Å; R595-E676 PolarHBondContact NH2-O 3.3Å; E676-R741 VanDerWaalsContact CD-CZ 3.41Å; E676-R741 IonicContact OE1-CZ 2.55Å; E676-R741 IonicContact OE1-NH1 2.69Å; E676-R741 PolarHBondContact OE1-NH1 2.72Å; E676-R741 IonicContact OE1-NH2 3.88Å; E676-R741 PolarHBondContact OE1-NH2 2.7Å; E676-R741 IonicContact OE2-CZ 2.72Å; E676-R741 IonicContact OE2-NH1 3.99Å; E676-R741 PolarHBondContact OE2-NH1 3.44Å; E676-R741 IonicContact OE2-NH2 3.77Å; E676-R741 PolarHBondContact OE2-NH2 3Å
677	P	82.7	Confident	75	Confident	12 Å²	12	35 Å²	35	8%	0.078	18%	0.179	C	C	.	.			trans	-68	138.1	177	24.9	-33.3	0	0	0	111.9	K438 F439 A442 F714	K438-P677 HydrophobicContact CD-CG 4.16Å; K438-P677 WeakPolarHBondContact CD-O 3.01Å; K438-P677 WeakPolarHBondContact CE-O 3.31Å; K438-P677 HydrophobicContact CG-CG 3.95Å; K438-P677 PolarHBondContact NZ-O 3.25Å; F439-P677 HydrophobicContact CD1-CG 4.4Å; F439-P677 HydrophobicContact CG-CG 4.5Å; A442-P677 HydrophobicContact CB-CB 3.59Å; A442-P677 HydrophobicContact CB-CG 3.87Å; P677-F714 HydrophobicContact CB-CD1 3.94Å; P677-F714 HydrophobicContact CB-CE1 4.18Å
678	I	88.1	Confident	77.3	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.148	C	C	.	.			trans	-103.4	114.5	175.2	-54.6	166.8	0	0	0	107.1	M684 Y699 F714 F715 V761	I678-M684 HydrophobicContact CG2-CE 4.16Å; I678-Y699 HydrophobicContact CG2-CE2 3.95Å; I678-F714 CarbonylContact O-C 3.58Å; I678-F714 VanDerWaalsContact O-CA 3.28Å; I678-F714 WeakPolarHBondContact O-CA 3.09Å; I678-F715 HydrophobicContact CB-CB 3.83Å; I678-F715 HydrophobicContact CD1-CB 4.36Å; I678-F715 HydrophobicContact CG2-CB 4.29Å; I678-F715 PolarHBondContact O-N 3.16Å; I678-V761 HydrophobicContact CD1-CB 3.78Å; I678-V761 HydrophobicContact CD1-CG1 4.29Å; I678-V761 HydrophobicContact CD1-CG2 3.92Å
679	K	88.6	Confident	79.3	Confident	56 Å²	56	21.5 Å²	21.5	24%	0.243	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-88.2	142.3	-175.7	-174.6	-178	-178.5	176.1	0	109.7	D682 F714	K679-D682 WeakPolarHBondContact CB-OD2 3.4Å; K679-D682 PolarHBondContact N-OD2 2.83Å; K679-D682 WeakPolarHBondContact O-CB 3.33Å; K679-D682 PolarHBondContact O-N 3.45Å; K679-F714 HydrophobicContact CB-CD1 3.92Å; K679-F714 HydrophobicContact CB-CE1 3.76Å; K679-F714 HydrophobicContact CD-CE1 4.44Å; K679-F714 HydrophobicContact CG-CD1 4.32Å; K679-F714 HydrophobicContact CG-CE1 3.94Å; K679-F714 HydrophobicContact CG-CZ 4.41Å
680	S	91.6	Very high	81.2	Confident	6 Å²	6	18.2 Å²	18.2	4%	0.042	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	139.7	170.8	-89.7	0	0	0	0	110.2	D682 Y699 E712 P713	S680-D682 VanDerWaalsContact C-N 3.28Å; S680-Y699 VanDerWaalsContact OG-CD2 3.25Å; S680-Y699 WeakPolarHBondContact OG-CD2 3.26Å; S680-Y699 PolarHBondContact OG-N 3.36Å; S680-E712 PolarHBondContact OG-O 2.69Å; S680-P713 VanDerWaalsContact CB-O 3.31Å; S680-P713 WeakPolarHBondContact CB-O 3.33Å; S680-P713 PolarHBondContact N-O 2.84Å
681	K	89.5	Confident	83.1	Confident	78 Å²	78	16.3 Å²	16.3	34%	0.339	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	6	-178.9	-47.1	161.6	177.9	177.8	0	115.3	P697 I698 K858	K681-P697 PolarHBondContact N-O 3.28Å; K681-I698 HydrophobicContact CG-CG2 3.77Å; K681-K858 HydrophobicContact CB-CD 4.16Å
682	D	86.8	Confident	84.9	Confident	9 Å²	9	16.1 Å²	16.1	5%	0.048	8%	0.081	C	C	.	.			trans	-65.3	140.5	165.4	-73.3	1.7	0	0	0	109	M423 K438 K679 S680 M684 A696 P697	M423-D682 HydrophobicContact CE-CB 3.62Å; K438-D682 WeakPolarHBondContact CE-OD2 3.4Å; K438-D682 IonicContact NZ-OD2 3.49Å; K438-D682 PolarHBondContact NZ-OD2 2.83Å; K679-D682 WeakPolarHBondContact CB-OD2 3.4Å; K679-D682 PolarHBondContact N-OD2 2.83Å; K679-D682 WeakPolarHBondContact O-CB 3.33Å; K679-D682 PolarHBondContact O-N 3.45Å; S680-D682 VanDerWaalsContact C-N 3.28Å; D682-M684 PolarHBondContact O-N 2.73Å; D682-A696 WeakPolarHBondContact O-CA 3.49Å; D682-P697 WeakPolarHBondContact O-CD 3.47Å
683	L	88.2	Confident	86.6	Confident	12 Å²	12	15.6 Å²	15.6	6%	0.063	8%	0.078	C	C	.	.			trans	-62.5	129.2	168.8	-61.8	178.5	0	0	0	110.8	T419 M423 V694 A696 I742 V860	T419-L683 HydrophobicContact CG2-CG 4.02Å; T419-L683 WeakPolarHBondContact OG1-CD1 3.4Å; T419-L683 WeakPolarHBondContact OG1-CG 3.49Å; M423-L683 HydrophobicContact CE-CB 3.8Å; M423-L683 WeakPolarHBondContact CE-O 3.25Å; L683-V694 HydrophobicContact CB-CG1 4.13Å; L683-V694 HydrophobicContact CD2-CG1 4.19Å; L683-A696 HydrophobicContact CD2-CB 4.28Å; L683-I742 HydrophobicContact CB-CD1 4.03Å; L683-V860 HydrophobicContact CD2-CG1 3.78Å
684	M	91.4	Very high	88	Confident	3 Å²	3	14.6 Å²	14.6	2%	0.015	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.2	177	-57.5	-59.3	-84	0	0	108.8	I678 D682 V694 A695 P697 Q739 R741 V761	I678-M684 HydrophobicContact CG2-CE 4.16Å; D682-M684 PolarHBondContact O-N 2.73Å; M684-V694 WeakPolarHBondContact O-CA 3.21Å; M684-A695 PolarHBondContact N-O 3.02Å; M684-A695 PolarHBondContact O-N 3.48Å; M684-P697 HydrophobicContact CB-CG 4.24Å; M684-P697 HydrophobicContact CG-CG 3.85Å; M684-Q739 HydrophobicContact CB-CG 3.96Å; M684-Q739 HydrophobicContact CE-CG 4.05Å; M684-Q739 HydrophobicContact CG-CG 4.3Å; M684-R741 HydrophobicContact CE-CB 4.12Å; M684-R741 HydrophobicContact CE-CG 4.34Å; M684-V761 HydrophobicContact CE-CG2 3.48Å; M684-V761 VanDerWaalsContact CE-CG2 3.48Å
685	L	94.5	Very high	89.3	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.9	168.2	177.6	86.3	0	0	0	108.2	F137 R692 V694 F740 I742 V757 V865	F137-L685 HydrophobicContact CE1-CD2 3.54Å; F137-L685 HydrophobicContact CE2-CD2 4.22Å; F137-L685 HydrophobicContact CZ-CD2 3.32Å; L685-R692 HydrophobicContact CD1-CG 4.04Å; L685-V694 HydrophobicContact CB-CG2 4.46Å; L685-V694 HydrophobicContact CD1-CG2 3.83Å; L685-F740 HydrophobicContact CB-CB 4.11Å; L685-F740 HydrophobicContact CD2-CB 4.23Å; L685-F740 HydrophobicContact CD2-CD2 4.11Å; L685-F740 HydrophobicContact CD2-CG 4.35Å; L685-F740 PolarHBondContact N-O 3.4Å; L685-F740 PolarHBondContact O-N 2.91Å; L685-I742 HydrophobicContact CB-CD1 4.48Å; L685-I742 HydrophobicContact CB-CG1 4.37Å; L685-V757 HydrophobicContact CB-CG2 4.44Å; L685-V757 HydrophobicContact CD2-CG1 3.91Å; L685-V757 HydrophobicContact CD2-CG2 3.85Å; L685-V865 HydrophobicContact CD1-CB 3.78Å; L685-V865 HydrophobicContact CD1-CG1 3.56Å; L685-V865 HydrophobicContact CD1-CG2 4.34Å
686	I	95.9	Very high	90.4	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.01	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.2	-179.1	-65.8	-178.5	0	0	0	109.2	A688 R692 F693 A695 V726 I737 L738	I686-A688 HydrophobicContact CG2-CB 4.24Å; I686-R692 WeakPolarHBondContact O-CA 3.42Å; I686-F693 HydrophobicContact CB-CD2 4.33Å; I686-F693 HydrophobicContact CB-CE2 3.97Å; I686-F693 HydrophobicContact CB-CZ 4.07Å; I686-F693 HydrophobicContact CD1-CE2 4.26Å; I686-F693 HydrophobicContact CG2-CE1 4.05Å; I686-F693 HydrophobicContact CG2-CE2 4.03Å; I686-F693 HydrophobicContact CG2-CZ 3.63Å; I686-F693 PolarHBondContact N-O 3.28Å; I686-F693 PolarHBondContact O-N 2.86Å; I686-F693 VanDerWaalsContact O-O 3.13Å; I686-A695 HydrophobicContact CD1-CB 4.08Å; I686-V726 HydrophobicContact CD1-CG1 3.85Å; I686-V726 HydrophobicContact CD1-CG2 4.44Å; I686-I737 HydrophobicContact CG2-CD1 3.4Å; I686-I737 VanDerWaalsContact CG2-CD1 3.4Å; I686-I737 HydrophobicContact CG2-CG1 3.77Å; I686-L738 WeakPolarHBondContact CA-O 3.16Å
687	Q	94.7	Very high	91.3	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	103.5	167.4	-176.6	166.7	-7.2	0	0	109.3	R691 I737 L738	Q687-R691 CarbonylContact C-O 3.57Å; Q687-R691 WeakPolarHBondContact CA-O 3.28Å; Q687-I737 CarbonylContact O-C 3.6Å; Q687-I737 VanDerWaalsContact O-CA 3.28Å; Q687-I737 WeakPolarHBondContact O-CA 3.2Å; Q687-L738 HydrophobicContact CB-CB 4.28Å; Q687-L738 PolarHBondContact N-O 3.33Å; Q687-L738 PolarHBondContact O-N 3.38Å
688	A	93.4	Very high	91.9	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.008	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	97.9	-179.9	0	0	0	0	0	110.5	F591 I686 I690 R691 F693 M731 V735 N736	F591-A688 HydrophobicContact CE1-CB 4.06Å; F591-A688 HydrophobicContact CZ-CB 4.08Å; I686-A688 HydrophobicContact CG2-CB 4.24Å; A688-I690 PolarHBondContact O-N 3.42Å; A688-R691 PolarHBondContact N-O 2.62Å; A688-R691 PolarHBondContact O-N 2.97Å; A688-F693 HydrophobicContact CB-CE1 4.17Å; A688-M731 HydrophobicContact CB-CE 4.45Å; A688-M731 HydrophobicContact CB-SD 3.8Å; A688-V735 HydrophobicContact CB-CG1 4.09Å; A688-N736 CarbonylContact C-O 3.52Å; A688-N736 WeakPolarHBondContact CA-O 3.3Å
689	G	88.9	Confident	92.2	Very high	4 Å²	4	9.2 Å²	9.2	4%	0.041	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-117.6	-173.2	0	0	0	0	0	111.3	R691 N736	G689-R691 VanDerWaalsContact C-N 3.32Å; G689-N736 PolarHBondContact N-O 3.31Å
690	I	90	Very high	92.5	Very high	8 Å²	8	6.5 Å²	6.5	4%	0.041	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-14.6	180	66.5	166.2	0	0	0	113.5	H312 T314 W577 L579 A688	H312-I690 PolarHBondContact CD2-O 3.28Å; H312-I690 PolarHBondContact NE2-O 3.14Å; T314-I690 PolarHBondContact OG1-O 3.39Å; T314-I690 VanDerWaalsContact OG1-O 3.11Å; W577-I690 HydrophobicContact CB-CD1 3.65Å; W577-I690 HydrophobicContact CD2-CB 4.04Å; W577-I690 HydrophobicContact CD2-CD1 4.4Å; W577-I690 HydrophobicContact CD2-CG2 3.55Å; W577-I690 HydrophobicContact CE3-CG2 3.76Å; W577-I690 HydrophobicContact CG-CB 4.02Å; W577-I690 HydrophobicContact CG-CD1 3.89Å; W577-I690 HydrophobicContact CG-CG2 4.05Å; W577-I690 HydrophobicContact CH2-CG2 4.07Å; W577-I690 HydrophobicContact CZ2-CG2 3.9Å; W577-I690 HydrophobicContact CZ3-CG2 4Å; L579-I690 HydrophobicContact CD2-CD1 4.49Å; A688-I690 PolarHBondContact O-N 3.42Å
691	R	93.2	Very high	92.6	Very high	3 Å²	3	7.6 Å²	7.6	1%	0.011	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.3	-173.4	-61.5	-170.5	170.6	-74.8	12	109.9	H312 D318 E583 Q687 A688 G689 F693	H312-R691 PolarHBondContact ND1-NH1 2.91Å; D318-R691 IonicContact OD1-CZ 2.88Å; D318-R691 IonicContact OD1-NH1 2.82Å; D318-R691 PolarHBondContact OD1-NH1 3.41Å; D318-R691 IonicContact OD1-NH2 3.87Å; D318-R691 IonicContact OD2-CZ 3.64Å; D318-R691 IonicContact OD2-NH1 3.41Å; D318-R691 PolarHBondContact OD2-NH1 2.66Å; D318-R691 IonicContact OD2-NH2 3.5Å; D318-R691 PolarHBondContact OD2-NH2 2.73Å; E583-R691 PolarHBondContact O-NH2 3.18Å; Q687-R691 CarbonylContact C-O 3.57Å; Q687-R691 WeakPolarHBondContact CA-O 3.28Å; A688-R691 PolarHBondContact N-O 2.62Å; A688-R691 PolarHBondContact O-N 2.97Å; G689-R691 VanDerWaalsContact C-N 3.32Å; R691-F693 HydrophobicContact CB-CD1 4.08Å; R691-F693 HydrophobicContact CB-CE1 4.17Å
692	R	94.8	Very high	92.7	Very high	8 Å²	8	7.3 Å²	7.3	3%	0.03	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.3	171.1	-173.4	-175.5	-63.9	129.9	-2	107.8	F137 D141 T314 L685 I686 V865	F137-R692 PolarHBondContact O-NH2 2.83Å; D141-R692 IonicContact OD1-CZ 3.27Å; D141-R692 IonicContact OD1-NH1 3.4Å; D141-R692 IonicContact OD1-NH2 3.18Å; D141-R692 PolarHBondContact OD1-NH2 2.85Å; D141-R692 IonicContact OD2-CZ 2.99Å; D141-R692 IonicContact OD2-NH1 3.8Å; D141-R692 PolarHBondContact OD2-NH1 3.05Å; D141-R692 IonicContact OD2-NH2 3.85Å; D141-R692 PolarHBondContact OD2-NH2 2.94Å; T314-R692 HydrophobicContact CG2-CB 4.37Å; L685-R692 HydrophobicContact CD1-CG 4.04Å; I686-R692 WeakPolarHBondContact O-CA 3.42Å; R692-V865 HydrophobicContact CG-CG1 4.29Å; R692-V865 HydrophobicContact CG-CG2 3.98Å
693	F	95	Very high	92.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	156.2	-175.8	57.6	-88	0	0	0	111.2	I686 A688 R691 A695 V726 A728 Y861 E862	I686-F693 HydrophobicContact CB-CD2 4.33Å; I686-F693 HydrophobicContact CB-CE2 3.97Å; I686-F693 HydrophobicContact CB-CZ 4.07Å; I686-F693 HydrophobicContact CD1-CE2 4.26Å; I686-F693 HydrophobicContact CG2-CE1 4.05Å; I686-F693 HydrophobicContact CG2-CE2 4.03Å; I686-F693 HydrophobicContact CG2-CZ 3.63Å; I686-F693 PolarHBondContact N-O 3.28Å; I686-F693 PolarHBondContact O-N 2.86Å; I686-F693 VanDerWaalsContact O-O 3.13Å; A688-F693 HydrophobicContact CB-CE1 4.17Å; R691-F693 HydrophobicContact CB-CD1 4.08Å; R691-F693 HydrophobicContact CB-CE1 4.17Å; F693-A695 HydrophobicContact CD2-CB 3.96Å; F693-A695 HydrophobicContact CE2-CB 3.9Å; F693-V726 HydrophobicContact CE2-CG2 4.47Å; F693-A728 HydrophobicContact CE1-CB 4.41Å; F693-A728 HydrophobicContact CE2-CB 4.08Å; F693-A728 HydrophobicContact CZ-CB 3.73Å; F693-Y861 HydrophobicContact CB-CD2 4.09Å; F693-Y861 HydrophobicContact CB-CE2 3.63Å; F693-Y861 AromaticContact CD1-CE2 3.76Å; F693-Y861 HydrophobicContact CD1-CE2 3.76Å; F693-Y861 AromaticContact CD2-CD2 3.6Å; F693-Y861 HydrophobicContact CD2-CD2 3.6Å; F693-Y861 AromaticContact CD2-CE2 3.67Å; F693-Y861 HydrophobicContact CD2-CE2 3.67Å; F693-Y861 HydrophobicContact CE1-CE2 4.31Å; F693-Y861 HydrophobicContact CE2-CD2 4.11Å; F693-Y861 HydrophobicContact CE2-CE2 4.22Å; F693-Y861 AromaticContact CG-CD2 3.83Å; F693-Y861 HydrophobicContact CG-CD2 3.83Å; F693-Y861 AromaticContact CG-CE2 3.41Å; F693-Y861 HydrophobicContact CG-CE2 3.41Å; F693-Y861 VanDerWaalsContact CG-CE2 3.41Å; F693-E862 CarbonylContact C-O 3.57Å; F693-E862 WeakPolarHBondContact CA-O 3.28Å; F693-E862 VanDerWaalsContact CB-O 3.25Å; F693-E862 WeakPolarHBondContact CB-O 3.4Å
694	V	92.3	Very high	92.4	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.9	170.2	176.3	0	0	0	0	109.8	L683 M684 L685 I742 E862 V865 Y868	L683-V694 HydrophobicContact CB-CG1 4.13Å; L683-V694 HydrophobicContact CD2-CG1 4.19Å; M684-V694 WeakPolarHBondContact O-CA 3.21Å; L685-V694 HydrophobicContact CB-CG2 4.46Å; L685-V694 HydrophobicContact CD1-CG2 3.83Å; V694-I742 HydrophobicContact CB-CD1 4.33Å; V694-I742 HydrophobicContact CG1-CD1 3.55Å; V694-I742 HydrophobicContact CG2-CD1 3.82Å; V694-E862 HydrophobicContact CB-CB 4.19Å; V694-E862 PolarHBondContact N-O 2.9Å; V694-E862 PolarHBondContact O-N 3.48Å; V694-V865 HydrophobicContact CG2-CG1 4.21Å; V694-Y868 HydrophobicContact CB-CE2 4.4Å; V694-Y868 HydrophobicContact CG2-CD2 3.83Å; V694-Y868 HydrophobicContact CG2-CE2 3.63Å; V694-Y868 HydrophobicContact CG2-CG 4.46Å
695	A	91.6	Very high	91.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	163.8	177.1	0	0	0	0	0	111.4	M684 I686 F693 P697 V726	M684-A695 PolarHBondContact N-O 3.02Å; M684-A695 PolarHBondContact O-N 3.48Å; I686-A695 HydrophobicContact CD1-CB 4.08Å; F693-A695 HydrophobicContact CD2-CB 3.96Å; F693-A695 HydrophobicContact CE2-CB 3.9Å; A695-P697 WeakPolarHBondContact O-CD 2.97Å; A695-V726 HydrophobicContact CB-CB 4.18Å; A695-V726 HydrophobicContact CB-CG1 3.93Å
696	A	90.5	Very high	90.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	14%	0.135	C	C	.	.			trans	-105.6	86.8	175.9	0	0	0	0	0	110.9	D682 L683 K858 V860	D682-A696 WeakPolarHBondContact O-CA 3.49Å; L683-A696 HydrophobicContact CD2-CB 4.28Å; A696-K858 HydrophobicContact CB-CB 4.29Å; A696-K858 HydrophobicContact CB-CD 4.37Å; A696-V860 HydrophobicContact CB-CB 4.27Å; A696-V860 HydrophobicContact CB-CG2 4.2Å
697	P	94.9	Very high	90.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-63.5	140.2	-179	25.8	-35.9	0	0	0	112.9	K681 D682 M684 A695 Y699 A724 V726	K681-P697 PolarHBondContact N-O 3.28Å; D682-P697 WeakPolarHBondContact O-CD 3.47Å; M684-P697 HydrophobicContact CB-CG 4.24Å; M684-P697 HydrophobicContact CG-CG 3.85Å; A695-P697 WeakPolarHBondContact O-CD 2.97Å; P697-Y699 HydrophobicContact CB-CE1 3.98Å; P697-Y699 HydrophobicContact CG-CE1 4.22Å; P697-Y699 VanDerWaalsContact CG-OH 3.32Å; P697-Y699 WeakPolarHBondContact CG-OH 3.49Å; P697-A724 HydrophobicContact CB-CB 4.25Å; P697-V726 HydrophobicContact CB-CG1 3.76Å
698	I	95.2	Very high	90	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.8	162.1	60.8	173.5	0	0	0	109.4	K681 F711 A724 T725 I775 V855 P857	K681-I698 HydrophobicContact CG-CG2 3.77Å; I698-F711 HydrophobicContact CB-CD2 4.44Å; I698-F711 HydrophobicContact CB-CE2 4.09Å; I698-F711 HydrophobicContact CG2-CE2 4.34Å; I698-A724 CarbonylContact O-C 3.44Å; I698-A724 WeakPolarHBondContact O-CA 3.39Å; I698-T725 HydrophobicContact CD1-CG2 4.46Å; I698-T725 HydrophobicContact CG1-CG2 4.4Å; I698-T725 WeakPolarHBondContact CG1-O 3.27Å; I698-T725 PolarHBondContact N-O 2.93Å; I698-T725 VanDerWaalsContact N-O 3.08Å; I698-T725 PolarHBondContact O-N 3.47Å; I698-I775 HydrophobicContact CD1-CD1 3.55Å; I698-I775 HydrophobicContact CD1-CG2 4.23Å; I698-I775 HydrophobicContact CG1-CD1 4.22Å; I698-V855 HydrophobicContact CD1-CG1 4.2Å; I698-P857 HydrophobicContact CD1-CB 4.13Å; I698-P857 HydrophobicContact CG1-CB 4.3Å
699	Y	96	Very high	90	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	147.6	179.2	-57.1	-58.3	0	0	0	111.5	I678 S680 P697 F711 E712 F715 T722 V723 A724 Q739	I678-Y699 HydrophobicContact CG2-CE2 3.95Å; S680-Y699 VanDerWaalsContact OG-CD2 3.25Å; S680-Y699 WeakPolarHBondContact OG-CD2 3.26Å; S680-Y699 PolarHBondContact OG-N 3.36Å; P697-Y699 HydrophobicContact CB-CE1 3.98Å; P697-Y699 HydrophobicContact CG-CE1 4.22Å; P697-Y699 VanDerWaalsContact CG-OH 3.32Å; P697-Y699 WeakPolarHBondContact CG-OH 3.49Å; Y699-F711 WeakPolarHBondContact O-CD2 3.39Å; Y699-E712 PolarHBondContact O-N 3.44Å; Y699-F715 AromaticContact CD1-CD2 3.74Å; Y699-F715 HydrophobicContact CD1-CD2 3.74Å; Y699-F715 HydrophobicContact CD1-CE2 4.33Å; Y699-F715 HydrophobicContact CD2-CB 4.01Å; Y699-F715 HydrophobicContact CD2-CD2 4.46Å; Y699-F715 AromaticContact CE1-CD2 3.47Å; Y699-F715 HydrophobicContact CE1-CD2 3.47Å; Y699-F715 VanDerWaalsContact CE1-CD2 3.47Å; Y699-F715 HydrophobicContact CE1-CE2 4.06Å; Y699-F715 HydrophobicContact CE2-CB 4Å; Y699-F715 HydrophobicContact CE2-CD2 4.23Å; Y699-F715 HydrophobicContact CG-CB 4.38Å; Y699-F715 HydrophobicContact CG-CD2 4.24Å; Y699-F715 AromaticContact CZ-CD2 3.74Å; Y699-T722 HydrophobicContact CD1-CG2 4.16Å; Y699-T722 HydrophobicContact CG-CG2 4.33Å; Y699-V723 CarbonylContact C-O 3.44Å; Y699-V723 WeakPolarHBondContact CA-O 3.42Å; Y699-A724 HydrophobicContact CD1-CB 3.94Å; Y699-A724 HydrophobicContact CE1-CB 3.8Å; Y699-Q739 PolarHBondContact OH-NE2 2.88Å; Y699-Q739 PolarHBondContact OH-OE1 3.11Å
700	S	95.3	Very high	90.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	151	179	54.8	0	0	0	0	111.6	K710 T722 V723	S700-K710 CarbonylContact C-O 3.53Å; S700-K710 WeakPolarHBondContact CA-O 3.4Å; S700-K710 WeakPolarHBondContact CB-O 3.49Å; S700-T722 WeakPolarHBondContact O-CG2 3.25Å; S700-V723 PolarHBondContact N-O 3.44Å; S700-V723 PolarHBondContact O-N 3.36Å; S700-V723 PolarHBondContact OG-O 3Å; S700-V723 VanDerWaalsContact OG-O 3.09Å
701	A	92.9	Very high	90.6	Very high	28 Å²	28	31.8 Å²	31.8	23%	0.231	16%	0.158	C	C	.	.			trans	-60.2	143.1	174	0	0	0	0	0	110.6	S703 K710	A701-S703 PolarHBondContact O-N 3.27Å; A701-K710 HydrophobicContact CB-CB 4.09Å; A701-K710 PolarHBondContact N-O 3.47Å
702	P	90.6	Very high	90.6	Very high	72 Å²	72	33.4 Å²	33.4	47%	0.468	17%	0.166	S	C	.	.			trans	-63.9	121.6	176.2	29.3	-34	0	0	0	109	S721 V723	P702-S721 WeakPolarHBondContact CD-O 3.47Å; P702-S721 VanDerWaalsContact CG-O 3.29Å; P702-S721 WeakPolarHBondContact CG-O 3.48Å; P702-V723 HydrophobicContact CB-CG2 4.43Å
703	S	86.4	Confident	90.5	Very high	13 Å²	13	34 Å²	34	9%	0.091	17%	0.171	C	C	.	.			trans	-139.5	149.7	179.4	176	0	0	0	0	109.7	A701 E707 K708 R767	A701-S703 PolarHBondContact O-N 3.27Å; S703-E707 WeakPolarHBondContact OG-CB 3.15Å; S703-K708 PolarHBondContact OG-O 3.03Å; S703-R767 PolarHBondContact O-NH1 3.18Å; S703-R767 PolarHBondContact O-NH2 3.36Å
704	N	84.1	Confident	90.3	Very high	93 Å²	93	35.4 Å²	35.4	50%	0.497	18%	0.177	S	C	.	.			trans	-54.2	148.5	178.4	-69.7	-40.8	0	0	0	111.6	R706 E707	N704-R706 PolarHBondContact O-N 2.63Å; N704-E707 HydrophobicContact CB-CB 4.24Å; N704-E707 HydrophobicContact CB-CG 4.14Å; N704-E707 PolarHBondContact ND2-OE1 3.07Å; N704-E707 PolarHBondContact O-N 2.91Å
705	P	72.5	Confident	90.2	Very high	68 Å²	68	35.6 Å²	35.6	44%	0.442	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-27.8	-176.4	-27.2	34.8	0	0	0	115	H773	P705-H773 PolarHBondContact O-ND1 3.38Å
706	R	75.9	Confident	89.8	Confident	251 Å²	251	37 Å²	37	95%	0.947	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.2	178.1	-66.5	-175.7	177.3	137	-0.7	114	N704	N704-R706 PolarHBondContact O-N 2.63Å
707	E	85.1	Confident	89	Confident	78 Å²	78	38.3 Å²	38.3	36%	0.364	20%	0.198	S	C	.	.	S	Bend	trans	-98.9	162.4	-179.6	-73.9	170.8	-146.7	0	0	110.4	S703 N704 H773	S703-E707 WeakPolarHBondContact OG-CB 3.15Å; N704-E707 HydrophobicContact CB-CB 4.24Å; N704-E707 HydrophobicContact CB-CG 4.14Å; N704-E707 PolarHBondContact ND2-OE1 3.07Å; N704-E707 PolarHBondContact O-N 2.91Å; E707-H773 PolarHBondContact O-CE1 3.41Å
708	K	91.8	Very high	87.9	Confident	9 Å²	9	41.2 Å²	41.2	4%	0.039	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-78.8	128.9	175.9	-61.2	156.5	177.2	-177.6	0	109.2	F473 S476 S703 L774 I776	F473-K708 HydrophobicContact CE1-CB 4.33Å; F473-K708 HydrophobicContact CE2-CB 4.31Å; F473-K708 HydrophobicContact CZ-CB 3.91Å; F473-K708 VanDerWaalsContact O-CD 3.28Å; F473-K708 WeakPolarHBondContact O-CD 3.19Å; F473-K708 PolarHBondContact O-NZ 3.37Å; S476-K708 WeakPolarHBondContact O-CE 3.42Å; S476-K708 PolarHBondContact O-NZ 3.41Å; S476-K708 PolarHBondContact OG-NZ 3Å; S703-K708 PolarHBondContact OG-O 3.03Å; K708-L774 HydrophobicContact CG-CB 4.14Å; K708-L774 HydrophobicContact CG-CD1 4Å; K708-I776 HydrophobicContact CB-CD1 3.66Å; K708-I776 HydrophobicContact CB-CG1 4.41Å; K708-I776 HydrophobicContact CD-CD1 3.49Å; K708-I776 VanDerWaalsContact CD-CD1 3.49Å; K708-I776 HydrophobicContact CG-CD1 3.53Å
709	A	94	Very high	86.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134	172.1	0	0	0	0	0	110.5	L774 I775 I776	A709-L774 PolarHBondContact N-O 3.49Å; A709-I775 HydrophobicContact CB-CG1 4.45Å; A709-I776 PolarHBondContact O-N 3.03Å
710	K	94.6	Very high	85.9	Confident	31 Å²	31	49.9 Å²	49.9	14%	0.135	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.1	171.7	-172.3	-164.7	171.6	-138	0	108.3	D450 F473 S700 A701 E712 I776	D450-K710 WeakPolarHBondContact OD1-CE 3.03Å; D450-K710 IonicContact OD1-NZ 3Å; D450-K710 PolarHBondContact OD1-NZ 2.99Å; D450-K710 WeakPolarHBondContact OD2-CE 3.25Å; D450-K710 IonicContact OD2-NZ 3.02Å; D450-K710 PolarHBondContact OD2-NZ 2.98Å; F473-K710 HydrophobicContact CE1-CB 4.24Å; F473-K710 HydrophobicContact CZ-CB 4.28Å; S700-K710 CarbonylContact C-O 3.53Å; S700-K710 WeakPolarHBondContact CA-O 3.4Å; S700-K710 WeakPolarHBondContact CB-O 3.49Å; A701-K710 HydrophobicContact CB-CB 4.09Å; A701-K710 PolarHBondContact N-O 3.47Å; K710-E712 WeakPolarHBondContact CD-OE1 3.49Å; K710-E712 IonicContact NZ-OE1 3.3Å; K710-E712 PolarHBondContact NZ-OE1 3.43Å; K710-E712 IonicContact NZ-OE2 3.6Å; K710-I776 CarbonylContact C-O 3.57Å; K710-I776 WeakPolarHBondContact CA-O 3.42Å
711	F	95.6	Very high	85.6	Confident	11 Å²	11	51.4 Å²	51.4	5%	0.048	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.1	172.3	169.6	-96.8	0	0	0	110.3	I698 Y699 P713 I775 I776 K777 V855	I698-F711 HydrophobicContact CB-CD2 4.44Å; I698-F711 HydrophobicContact CB-CE2 4.09Å; I698-F711 HydrophobicContact CG2-CE2 4.34Å; Y699-F711 WeakPolarHBondContact O-CD2 3.39Å; F711-P713 HydrophobicContact CE1-CB 4.36Å; F711-P713 HydrophobicContact CE1-CG 4.07Å; F711-I775 HydrophobicContact CB-CG2 3.96Å; F711-I775 HydrophobicContact CD2-CG2 4.34Å; F711-I776 PolarHBondContact N-O 2.88Å; F711-K777 HydrophobicContact CB-CB 4.17Å; F711-K777 HydrophobicContact CD1-CB 3.94Å; F711-K777 HydrophobicContact CD1-CD 4.13Å; F711-K777 HydrophobicContact CD1-CG 3.99Å; F711-K777 HydrophobicContact CE1-CD 4.29Å; F711-K777 HydrophobicContact CG-CB 4.33Å; F711-V855 HydrophobicContact CB-CG2 4.27Å; F711-V855 HydrophobicContact CD2-CB 4.28Å; F711-V855 HydrophobicContact CD2-CG1 3.94Å; F711-V855 HydrophobicContact CD2-CG2 4.29Å; F711-V855 HydrophobicContact CE2-CG1 4.09Å; F711-V855 HydrophobicContact CG-CG2 4.1Å
712	E	93.8	Very high	85.6	Confident	37 Å²	37	50.1 Å²	50.1	17%	0.173	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.1	175.8	-63.1	-61.2	159	0	0	109.6	S680 Y699 K710 F714	S680-E712 PolarHBondContact OG-O 2.69Å; Y699-E712 PolarHBondContact O-N 3.44Å; K710-E712 WeakPolarHBondContact CD-OE1 3.49Å; K710-E712 IonicContact NZ-OE1 3.3Å; K710-E712 PolarHBondContact NZ-OE1 3.43Å; K710-E712 IonicContact NZ-OE2 3.6Å; E712-F714 WeakPolarHBondContact CB-O 2.99Å; E712-F714 PolarHBondContact O-N 3.34Å
713	P	92.5	Very high	85.9	Confident	20 Å²	20	46.7 Å²	46.7	13%	0.13	24%	0.243	C	C	.	.	S	Bend	trans	-63.1	-29	178.4	-25.4	36.9	0	0	0	113.7	E445 S680 F711	E445-P713 HydrophobicContact CG-CG 4.37Å; S680-P713 VanDerWaalsContact CB-O 3.31Å; S680-P713 WeakPolarHBondContact CB-O 3.33Å; S680-P713 PolarHBondContact N-O 2.84Å; F711-P713 HydrophobicContact CE1-CB 4.36Å; F711-P713 HydrophobicContact CE1-CG 4.07Å
714	F	90.9	Very high	86.3	Confident	29 Å²	29	46.2 Å²	46.2	13%	0.127	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-126.6	152.7	176.9	-65.4	-86.2	0	0	0	110.6	K438 A441 A442 E445 P677 I678 K679 E712 P716	K438-F714 HydrophobicContact CG-CE1 4.17Å; A441-F714 HydrophobicContact CB-CZ 3.98Å; A442-F714 HydrophobicContact CB-CD1 4.23Å; A442-F714 HydrophobicContact CB-CD2 4.37Å; A442-F714 HydrophobicContact CB-CE1 4.02Å; A442-F714 HydrophobicContact CB-CE2 4.18Å; A442-F714 HydrophobicContact CB-CG 4.4Å; A442-F714 HydrophobicContact CB-CZ 4Å; E445-F714 HydrophobicContact CB-CD2 4.22Å; E445-F714 HydrophobicContact CB-CE2 4.23Å; E445-F714 HydrophobicContact CG-CD2 4.24Å; P677-F714 HydrophobicContact CB-CD1 3.94Å; P677-F714 HydrophobicContact CB-CE1 4.18Å; I678-F714 CarbonylContact O-C 3.58Å; I678-F714 VanDerWaalsContact O-CA 3.28Å; I678-F714 WeakPolarHBondContact O-CA 3.09Å; K679-F714 HydrophobicContact CB-CD1 3.92Å; K679-F714 HydrophobicContact CB-CE1 3.76Å; K679-F714 HydrophobicContact CD-CE1 4.44Å; K679-F714 HydrophobicContact CG-CD1 4.32Å; K679-F714 HydrophobicContact CG-CE1 3.94Å; K679-F714 HydrophobicContact CG-CZ 4.41Å; E712-F714 WeakPolarHBondContact CB-O 2.99Å; E712-F714 PolarHBondContact O-N 3.34Å; F714-P716 WeakPolarHBondContact O-CD 3.48Å
715	F	90	Very high	86.9	Confident	5 Å²	5	41.8 Å²	41.8	2%	0.022	22%	0.216	C	C	.	.			trans	-63.6	120.8	166.2	-164.2	-64.5	0	0	0	107.9	M593 R595 I678 Y699 A717 A762	M593-F715 HydrophobicContact CB-CE2 3.76Å; M593-F715 HydrophobicContact CB-CZ 3.91Å; R595-F715 HydrophobicContact CB-CE1 3.93Å; I678-F715 HydrophobicContact CB-CB 3.83Å; I678-F715 HydrophobicContact CD1-CB 4.36Å; I678-F715 HydrophobicContact CG2-CB 4.29Å; I678-F715 PolarHBondContact O-N 3.16Å; Y699-F715 AromaticContact CD1-CD2 3.74Å; Y699-F715 HydrophobicContact CD1-CD2 3.74Å; Y699-F715 HydrophobicContact CD1-CE2 4.33Å; Y699-F715 HydrophobicContact CD2-CB 4.01Å; Y699-F715 HydrophobicContact CD2-CD2 4.46Å; Y699-F715 AromaticContact CE1-CD2 3.47Å; Y699-F715 HydrophobicContact CE1-CD2 3.47Å; Y699-F715 VanDerWaalsContact CE1-CD2 3.47Å; Y699-F715 HydrophobicContact CE1-CE2 4.06Å; Y699-F715 HydrophobicContact CE2-CB 4Å; Y699-F715 HydrophobicContact CE2-CD2 4.23Å; Y699-F715 HydrophobicContact CG-CB 4.38Å; Y699-F715 HydrophobicContact CG-CD2 4.24Å; Y699-F715 AromaticContact CZ-CD2 3.74Å; F715-A717 PolarHBondContact O-N 3.47Å; F715-A762 HydrophobicContact CE2-CB 4.03Å; F715-A762 HydrophobicContact CZ-CB 4.19Å
716	P	83.4	Confident	88	Confident	30 Å²	30	38.6 Å²	38.6	20%	0.195	20%	0.195	C	C	.	.			trans	-53.4	132.3	-178.3	-27.9	35.9	0	0	0	112.8	F714 S718 T722	F714-P716 WeakPolarHBondContact O-CD 3.48Å; P716-S718 PolarHBondContact O-N 3.32Å; P716-T722 VanDerWaalsContact CD-OG1 3.24Å; P716-T722 WeakPolarHBondContact CD-OG1 3.38Å; P716-T722 WeakPolarHBondContact CG-OG1 3.34Å
717	A	74.1	Confident	88.8	Confident	29 Å²	29	26.8 Å²	26.8	24%	0.24	15%	0.151	C	C	.	.	S	Bend	trans	-67.7	-22	175.3	0	0	0	0	0	113.1	A602 F715	A602-A717 HydrophobicContact CB-CB 3.82Å; F715-A717 PolarHBondContact O-N 3.47Å
718	S	70.9	Confident	89.2	Confident	60 Å²	60	23.1 Å²	23.1	42%	0.42	13%	0.133	S	C	.	.	S	Bend	trans	-63.9	162.2	177.4	67.7	0	0	0	0	113.9	P716 S720	P716-S718 PolarHBondContact O-N 3.32Å; S718-S720 PolarHBondContact O-N 3.28Å; S718-S720 VanDerWaalsContact O-N 3.1Å; S718-S720 PolarHBondContact OG-N 3.34Å; S718-S720 PolarHBondContact OG-OG 3.06Å
719	E	70.1	Confident	89.2	Confident	124 Å²	124	22.7 Å²	22.7	58%	0.579	13%	0.131	S	C	*	.	S	Bend	trans	-71.5	4.1	172.7	-68.8	-177	-175.7	0	0	114.3	S598	S598-E719 WeakPolarHBondContact CB-OE1 3.36Å; S598-E719 PolarHBondContact OG-OE1 3.12Å
720	S	80.4	Confident	89.1	Confident	58 Å²	58	22.6 Å²	22.6	41%	0.406	13%	0.131	S	C	.	.	S	Bend	trans	-69.7	144.1	-179.3	69.8	0	0	0	0	112	S718 T722	S718-S720 PolarHBondContact O-N 3.28Å; S718-S720 VanDerWaalsContact O-N 3.1Å; S718-S720 PolarHBondContact OG-N 3.34Å; S718-S720 PolarHBondContact OG-OG 3.06Å; S720-T722 PolarHBondContact O-N 3.35Å
721	S	89.3	Confident	89	Confident	32 Å²	32	21.4 Å²	21.4	22%	0.224	13%	0.126	C	C	.	.			trans	-67.1	135.4	175.1	77.9	0	0	0	0	109.8	F594 P702	F594-S721 VanDerWaalsContact CE1-CB 3.5Å; P702-S721 WeakPolarHBondContact CD-O 3.47Å; P702-S721 VanDerWaalsContact CG-O 3.29Å; P702-S721 WeakPolarHBondContact CG-O 3.48Å
722	T	92.6	Very high	88.7	Confident	1 Å²	1	21 Å²	21	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.6	176.4	-64.2	0	0	0	0	109.7	M593 Y699 S700 P716 S720	M593-T722 PolarHBondContact N-O 2.94Å; M593-T722 PolarHBondContact O-N 3.45Å; Y699-T722 HydrophobicContact CD1-CG2 4.16Å; Y699-T722 HydrophobicContact CG-CG2 4.33Å; S700-T722 WeakPolarHBondContact O-CG2 3.25Å; P716-T722 VanDerWaalsContact CD-OG1 3.24Å; P716-T722 WeakPolarHBondContact CD-OG1 3.38Å; P716-T722 WeakPolarHBondContact CG-OG1 3.34Å; S720-T722 PolarHBondContact O-N 3.35Å
723	V	95.3	Very high	88.4	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.4	176.3	-179.7	0	0	0	0	109.7	H590 F591 Y699 S700 P702	H590-V723 HydrophobicContact CB-CG1 4.07Å; F591-V723 CarbonylContact O-C 3.55Å; F591-V723 VanDerWaalsContact O-CA 3.26Å; F591-V723 WeakPolarHBondContact O-CA 3.47Å; Y699-V723 CarbonylContact C-O 3.44Å; Y699-V723 WeakPolarHBondContact CA-O 3.42Å; S700-V723 PolarHBondContact N-O 3.44Å; S700-V723 PolarHBondContact O-N 3.36Å; S700-V723 PolarHBondContact OG-O 3Å; S700-V723 VanDerWaalsContact OG-O 3.09Å; P702-V723 HydrophobicContact CB-CG2 4.43Å
724	A	96.7	Very high	88.1	Confident	2 Å²	2	20.4 Å²	20.4	2%	0.017	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.9	170.2	0	0	0	0	0	110	F591 M593 P697 I698 Y699	F591-A724 PolarHBondContact N-O 3.35Å; F591-A724 PolarHBondContact O-N 3.43Å; M593-A724 HydrophobicContact CG-CB 3.54Å; P697-A724 HydrophobicContact CB-CB 4.25Å; I698-A724 CarbonylContact O-C 3.44Å; I698-A724 WeakPolarHBondContact O-CA 3.39Å; Y699-A724 HydrophobicContact CD1-CB 3.94Å; Y699-A724 HydrophobicContact CE1-CB 3.8Å
725	T	96.3	Very high	88.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.3	179.7	-57.8	0	0	0	0	110.6	V588 C589 H590 I698 I775 P857	V588-T725 HydrophobicContact CG1-CG2 3.3Å; C589-T725 WeakPolarHBondContact O-CA 3.35Å; H590-T725 VanDerWaalsContact CE1-CG2 3.41Å; H590-T725 WeakPolarHBondContact CE1-CG2 3.21Å; H590-T725 VanDerWaalsContact ND1-CG2 3.35Å; H590-T725 WeakPolarHBondContact ND1-CG2 3.13Å; H590-T725 PolarHBondContact ND1-OG1 2.81Å; I698-T725 HydrophobicContact CD1-CG2 4.46Å; I698-T725 HydrophobicContact CG1-CG2 4.4Å; I698-T725 WeakPolarHBondContact CG1-O 3.27Å; I698-T725 PolarHBondContact N-O 2.93Å; I698-T725 VanDerWaalsContact N-O 3.08Å; I698-T725 PolarHBondContact O-N 3.47Å; T725-I775 HydrophobicContact CG2-CD1 3.77Å; T725-I775 VanDerWaalsContact OG1-CD1 3.32Å; T725-I775 WeakPolarHBondContact OG1-CD1 3.45Å; T725-P857 HydrophobicContact CG2-CB 4.46Å; T725-P857 HydrophobicContact CG2-CG 4.19Å
726	V	94.7	Very high	88.2	Confident	2 Å²	2	19 Å²	19	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	158.7	-178.7	-67.3	0	0	0	0	111.2	C589 F591 I686 F693 A695 P697 A728	C589-V726 HydrophobicContact CB-CG2 4.49Å; C589-V726 PolarHBondContact N-O 2.99Å; C589-V726 PolarHBondContact O-N 3.25Å; F591-V726 HydrophobicContact CD2-CG2 4.1Å; F591-V726 HydrophobicContact CE2-CG2 3.57Å; I686-V726 HydrophobicContact CD1-CG1 3.85Å; I686-V726 HydrophobicContact CD1-CG2 4.44Å; F693-V726 HydrophobicContact CE2-CG2 4.47Å; A695-V726 HydrophobicContact CB-CB 4.18Å; A695-V726 HydrophobicContact CB-CG1 3.93Å; P697-V726 HydrophobicContact CB-CG1 3.76Å; V726-A728 HydrophobicContact CG2-CB 4.32Å
727	Y	92	Very high	88.6	Confident	3 Å²	3	17.7 Å²	17.7	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.7	160	-72	-91.1	0	0	0	109.2	Y489 I492 S587 V588 P857 K858 Y859	Y489-Y727 HydrophobicContact CD2-CE1 4.37Å; Y489-Y727 WeakPolarHBondContact CD2-OH 3.43Å; Y489-Y727 HydrophobicContact CE2-CE1 4.15Å; Y489-Y727 AromaticContact CE2-CZ 3.63Å; Y489-Y727 WeakPolarHBondContact CE2-OH 3.24Å; I492-Y727 HydrophobicContact CD1-CE1 4.34Å; I492-Y727 HydrophobicContact CG2-CD1 4.27Å; I492-Y727 HydrophobicContact CG2-CE1 4.05Å; S587-Y727 WeakPolarHBondContact O-CA 3.35Å; V588-Y727 HydrophobicContact CG2-CD1 4.14Å; V588-Y727 HydrophobicContact CG2-CE1 4.05Å; Y727-P857 HydrophobicContact CD2-CB 3.94Å; Y727-P857 HydrophobicContact CD2-CG 3.86Å; Y727-P857 HydrophobicContact CE2-CB 3.98Å; Y727-P857 HydrophobicContact CE2-CG 3.64Å; Y727-P857 VanDerWaalsContact CE2-O 3.29Å; Y727-P857 WeakPolarHBondContact CE2-O 3.31Å; Y727-K858 WeakPolarHBondContact CD2-O 3.47Å; Y727-Y859 AromaticContact CD1-CD2 3.88Å; Y727-Y859 HydrophobicContact CD1-CD2 3.88Å; Y727-Y859 HydrophobicContact CD1-CE2 4.29Å; Y727-Y859 HydrophobicContact CD2-CD2 4.21Å; Y727-Y859 AromaticContact CE1-CD2 3.89Å; Y727-Y859 HydrophobicContact CE1-CD2 3.89Å; Y727-Y859 HydrophobicContact CE1-CE2 4.47Å; Y727-Y859 HydrophobicContact CE2-CD2 4.16Å; Y727-Y859 AromaticContact CG-CD2 4Å; Y727-Y859 HydrophobicContact CG-CD2 4Å; Y727-Y859 AromaticContact CZ-CD2 3.98Å
728	A	93.8	Very high	89.6	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	156.8	174.3	0	0	0	0	0	109.3	M586 S587 C589 F693 V726 M731 Y861	M586-A728 VanDerWaalsContact SD-CA 3.54Å; M586-A728 PolarHBondContact SD-N 2.81Å; S587-A728 CarbonylContact C-O 3.59Å; S587-A728 PolarHBondContact N-O 2.58Å; S587-A728 PolarHBondContact O-N 2.85Å; C589-A728 HydrophobicContact CB-CB 4.28Å; F693-A728 HydrophobicContact CE1-CB 4.41Å; F693-A728 HydrophobicContact CE2-CB 4.08Å; F693-A728 HydrophobicContact CZ-CB 3.73Å; V726-A728 HydrophobicContact CG2-CB 4.32Å; A728-M731 HydrophobicContact CB-CE 3.86Å; A728-Y861 HydrophobicContact CB-CD2 4.44Å; A728-Y861 HydrophobicContact CB-CE2 4.5Å
729	P	93	Very high	90.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	152.5	173.7	-21.9	31.1	0	0	0	111.7	E583 Q585 M586 M731 Y861	E583-P729 WeakPolarHBondContact O-CB 3.49Å; Q585-P729 CarbonylContact O-C 3.56Å; Q585-P729 VanDerWaalsContact O-CA 3.24Å; Q585-P729 WeakPolarHBondContact O-CA 3.32Å; M586-P729 HydrophobicContact CE-CG 4.04Å; P729-M731 PolarHBondContact O-N 3.42Å; P729-Y861 VanDerWaalsContact CD-CZ 3.43Å; P729-Y861 HydrophobicContact CG-CE1 4.13Å; P729-Y861 HydrophobicContact CG-CE2 4.08Å; P729-Y861 WeakPolarHBondContact CG-OH 3.37Å
730	V	92.3	Very high	91.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.05	C	C	.	.			trans	-52.3	135.3	177	169.7	0	0	0	0	109.9	A493 F495 H582 E583 Q585 Y732 V769	A493-V730 HydrophobicContact CB-CG2 4.28Å; F495-V730 HydrophobicContact CE2-CB 4.24Å; F495-V730 HydrophobicContact CE2-CG1 3.56Å; F495-V730 HydrophobicContact CE2-CG2 3.61Å; F495-V730 HydrophobicContact CZ-CB 4.33Å; F495-V730 HydrophobicContact CZ-CG1 3.61Å; F495-V730 HydrophobicContact CZ-CG2 3.78Å; H582-V730 WeakPolarHBondContact O-CB 3.33Å; E583-V730 WeakPolarHBondContact CA-O 3.39Å; E583-V730 WeakPolarHBondContact CG-O 3.24Å; Q585-V730 HydrophobicContact CB-CG2 4.32Å; Q585-V730 WeakPolarHBondContact O-CG2 3.33Å; Q585-V730 PolarHBondContact O-N 2.88Å; V730-Y732 HydrophobicContact CG1-CE1 4.37Å; V730-Y732 HydrophobicContact CG1-CE2 4.11Å; V730-V769 HydrophobicContact CG2-CG1 4.25Å
731	M	91.9	Very high	92.2	Very high	5 Å²	5	5.2 Å²	5.2	3%	0.025	3%	0.033	C	C	.	.			trans	-132.3	146.7	176.6	-75.9	173.8	-77.3	0	0	109.9	Y498 C589 F591 A688 A728 P729 V735 L766 V769	Y498-M731 WeakPolarHBondContact CE2-O 3.01Å; Y498-M731 PolarHBondContact OH-O 3.5Å; Y498-M731 VanDerWaalsContact OH-O 3.06Å; C589-M731 HydrophobicContact CB-CE 4.08Å; C589-M731 VanDerWaalsContact SG-CE 3.53Å; F591-M731 HydrophobicContact CE1-CE 4.31Å; F591-M731 HydrophobicContact CE2-CE 4.49Å; F591-M731 HydrophobicContact CZ-CE 3.57Å; F591-M731 HydrophobicContact CZ-SD 4.5Å; A688-M731 HydrophobicContact CB-CE 4.45Å; A688-M731 HydrophobicContact CB-SD 3.8Å; A728-M731 HydrophobicContact CB-CE 3.86Å; P729-M731 PolarHBondContact O-N 3.42Å; M731-V735 HydrophobicContact CB-CG2 4.23Å; M731-V735 HydrophobicContact SD-CG1 4.17Å; M731-L766 HydrophobicContact CB-CD2 3.58Å; M731-L766 WeakPolarHBondContact O-CD2 3Å; M731-V769 WeakPolarHBondContact O-CG2 3.3Å
732	Y	89.3	Confident	92.1	Very high	4 Å²	4	3.7 Å²	3.7	2%	0.016	2%	0.022	C	C	.	.			trans	-108.2	111.6	179.5	-63.3	-77.3	0	0	0	111.7	Y498 R502 M505 L580 P581 E583 V730 V735	Y498-Y732 HydrophobicContact CE2-CD1 4.39Å; R502-Y732 HydrophobicContact CB-CD1 4.03Å; R502-Y732 HydrophobicContact CG-CD1 4.16Å; M505-Y732 HydrophobicContact CB-CE1 4.24Å; M505-Y732 HydrophobicContact CE-CD1 3.64Å; M505-Y732 HydrophobicContact CE-CD2 3.36Å; M505-Y732 HydrophobicContact CE-CE1 4.12Å; M505-Y732 HydrophobicContact CE-CE2 3.85Å; M505-Y732 HydrophobicContact CE-CG 3.2Å; M505-Y732 HydrophobicContact CG-CE1 4.25Å; M505-Y732 HydrophobicContact CG-CE2 4.2Å; L580-Y732 HydrophobicContact CB-CD2 4.25Å; L580-Y732 HydrophobicContact CB-CE2 4.25Å; L580-Y732 HydrophobicContact CD1-CD2 4.19Å; P581-Y732 WeakPolarHBondContact O-CE2 3.2Å; P581-Y732 PolarHBondContact O-OH 2.97Å; E583-Y732 HydrophobicContact CG-CD2 3.92Å; E583-Y732 HydrophobicContact CG-CE2 3.79Å; V730-Y732 HydrophobicContact CG1-CE1 4.37Å; V730-Y732 HydrophobicContact CG1-CE2 4.11Å; Y732-V735 WeakPolarHBondContact O-CG2 3.29Å
733	S	87.1	Confident	91.5	Very high	28 Å²	28	5.7 Å²	5.7	20%	0.196	3%	0.03	C	C	.	.	S	Bend	trans	-54	155.2	179	175.7	0	0	0	0	112	Y498 R502 L766	Y498-S733 VanDerWaalsContact OH-CB 3.32Å; Y498-S733 WeakPolarHBondContact OH-CB 3.33Å; Y498-S733 PolarHBondContact OH-N 2.94Å; R502-S733 PolarHBondContact NE-O 3.02Å; R502-S733 PolarHBondContact NH2-O 2.86Å; S733-L766 PolarHBondContact OG-O 2.87Å
734	P	85.9	Confident	90.8	Very high	15 Å²	15	5.7 Å²	5.7	10%	0.097	3%	0.03	C	C	.	.	S	Bend	cis	-63.8	132.6	-12.8	27.3	-37.1	0	0	0	111.3	V247 H249 T250	V247-P734 HydrophobicContact CB-CB 4.23Å; V247-P734 HydrophobicContact CG1-CB 3.78Å; V247-P734 HydrophobicContact CG1-CG 3.58Å; H249-P734 WeakPolarHBondContact CA-O 3.34Å; H249-P734 WeakPolarHBondContact CB-O 3.49Å; T250-P734 HydrophobicContact CG2-CG 3.67Å; T250-P734 WeakPolarHBondContact OG1-CD 3.3Å; T250-P734 WeakPolarHBondContact OG1-CG 3.32Å
735	V	90.4	Very high	89.7	Confident	5 Å²	5	7.1 Å²	7.1	3%	0.03	4%	0.038	C	C	.	.			trans	-133.8	119.7	169.4	174.7	0	0	0	0	105.5	A688 M731 Y732 S765 L766	A688-V735 HydrophobicContact CB-CG1 4.09Å; M731-V735 HydrophobicContact CB-CG2 4.23Å; M731-V735 HydrophobicContact SD-CG1 4.17Å; Y732-V735 WeakPolarHBondContact O-CG2 3.29Å; V735-S765 CarbonylContact O-C 3.53Å; V735-S765 VanDerWaalsContact O-CA 3.29Å; V735-S765 WeakPolarHBondContact O-CA 3.34Å; V735-L766 HydrophobicContact CB-CB 3.83Å; V735-L766 HydrophobicContact CB-CD2 4.16Å; V735-L766 HydrophobicContact CG2-CD2 4.14Å; V735-L766 PolarHBondContact O-N 2.85Å
736	N	91.8	Very high	88.5	Confident	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	146.9	177.5	-63.5	-33.8	0	0	0	109.1	A173 Q174 S245 V247 A688 G689 G764	A173-N736 WeakPolarHBondContact O-CB 3.47Å; Q174-N736 PolarHBondContact O-ND2 2.67Å; S245-N736 VanDerWaalsContact CB-OD1 3.27Å; S245-N736 WeakPolarHBondContact CB-OD1 3.22Å; S245-N736 PolarHBondContact OG-OD1 3.49Å; V247-N736 PolarHBondContact O-ND2 2.9Å; V247-N736 PolarHBondContact O-OD1 2.85Å; A688-N736 CarbonylContact C-O 3.52Å; A688-N736 WeakPolarHBondContact CA-O 3.3Å; G689-N736 PolarHBondContact N-O 3.31Å; N736-G764 WeakPolarHBondContact CA-O 3.26Å
737	I	93.7	Very high	87.3	Confident	1 Å²	1	11 Å²	11	1%	0.005	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.4	-175.3	177.3	167.9	0	0	0	110.3	F591 M593 I686 Q687 T763 G764	F591-I737 HydrophobicContact CB-CD1 4.05Å; F591-I737 HydrophobicContact CB-CG2 4.13Å; F591-I737 HydrophobicContact CD1-CB 3.88Å; F591-I737 HydrophobicContact CD1-CD1 3.54Å; F591-I737 HydrophobicContact CD1-CG1 4.31Å; F591-I737 HydrophobicContact CD1-CG2 3.68Å; F591-I737 HydrophobicContact CD2-CD1 3.71Å; F591-I737 HydrophobicContact CE1-CB 4.17Å; F591-I737 HydrophobicContact CE1-CD1 3.78Å; F591-I737 HydrophobicContact CE1-CG2 4.44Å; F591-I737 HydrophobicContact CE2-CD1 3.95Å; F591-I737 HydrophobicContact CG-CD1 3.48Å; F591-I737 VanDerWaalsContact CG-CD1 3.48Å; F591-I737 HydrophobicContact CG-CG2 4.18Å; F591-I737 HydrophobicContact CZ-CD1 3.97Å; M593-I737 HydrophobicContact CE-CG1 4.38Å; M593-I737 HydrophobicContact CE-CG2 4.36Å; M593-I737 HydrophobicContact SD-CB 4.42Å; M593-I737 HydrophobicContact SD-CD1 4.01Å; M593-I737 HydrophobicContact SD-CG1 4.15Å; M593-I737 HydrophobicContact SD-CG2 3.42Å; M593-I737 WeakPolarHBondContact SD-CG2 3.43Å; I686-I737 HydrophobicContact CG2-CD1 3.4Å; I686-I737 VanDerWaalsContact CG2-CD1 3.4Å; I686-I737 HydrophobicContact CG2-CG1 3.77Å; Q687-I737 CarbonylContact O-C 3.6Å; Q687-I737 VanDerWaalsContact O-CA 3.28Å; Q687-I737 WeakPolarHBondContact O-CA 3.2Å; I737-T763 CarbonylContact O-C 3.45Å; I737-T763 WeakPolarHBondContact O-CA 3.38Å; I737-G764 WeakPolarHBondContact CG2-O 3.48Å; I737-G764 PolarHBondContact N-O 3.31Å; I737-G764 PolarHBondContact O-N 3.42Å
738	L	94.6	Very high	85.9	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140	166.2	-53	-179.8	0	0	0	108.3	L140 A170 A173 Q174 I686 Q687 F740 L760 T763	L140-L738 HydrophobicContact CD1-CD1 3.95Å; L140-L738 HydrophobicContact CD2-CD1 4.37Å; A170-L738 HydrophobicContact CB-CD1 3.84Å; A173-L738 HydrophobicContact CB-CD2 3.57Å; Q174-L738 HydrophobicContact CG-CD1 3.87Å; Q174-L738 HydrophobicContact CG-CD2 4.27Å; Q174-L738 HydrophobicContact CG-CG 4.01Å; I686-L738 WeakPolarHBondContact CA-O 3.16Å; Q687-L738 HydrophobicContact CB-CB 4.28Å; Q687-L738 PolarHBondContact N-O 3.33Å; Q687-L738 PolarHBondContact O-N 3.38Å; L738-F740 HydrophobicContact CB-CD2 4.3Å; L738-F740 HydrophobicContact CB-CE2 3.66Å; L738-F740 HydrophobicContact CB-CZ 4.36Å; L738-F740 HydrophobicContact CD1-CE2 3.94Å; L738-F740 HydrophobicContact CD1-CZ 4.08Å; L738-F740 HydrophobicContact CG-CE2 4.49Å; L738-L760 HydrophobicContact CB-CD1 3.83Å; L738-L760 HydrophobicContact CD2-CD1 4.2Å; L738-L760 HydrophobicContact CG-CD1 4.48Å; L738-T763 HydrophobicContact CD2-CG2 4.01Å
739	Q	95	Very high	84.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.1	175.2	-172.6	-171.5	-58	0	0	108.9	M593 M684 Y699 V761 A762	M593-Q739 HydrophobicContact CE-CB 3.59Å; M684-Q739 HydrophobicContact CB-CG 3.96Å; M684-Q739 HydrophobicContact CE-CG 4.05Å; M684-Q739 HydrophobicContact CG-CG 4.3Å; Y699-Q739 PolarHBondContact OH-NE2 2.88Å; Y699-Q739 PolarHBondContact OH-OE1 3.11Å; Q739-V761 HydrophobicContact CB-CG2 4.37Å; Q739-V761 HydrophobicContact CG-CG2 4.12Å; Q739-V761 WeakPolarHBondContact O-CG2 3.4Å; Q739-V761 PolarHBondContact O-N 3.21Å; Q739-A762 HydrophobicContact CB-CB 4.19Å; Q739-A762 PolarHBondContact N-O 3.11Å; Q739-A762 PolarHBondContact O-N 2.54Å
740	F	92.7	Very high	83.5	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	147.6	176.3	-64.7	-92.6	0	0	0	109.9	L136 F137 L140 L685 L738 V757 E759 L760	L136-F740 HydrophobicContact CD2-CE1 3.7Å; L136-F740 HydrophobicContact CD2-CZ 4.16Å; F137-F740 HydrophobicContact CE1-CD2 4.16Å; F137-F740 AromaticContact CE1-CE2 3.85Å; F137-F740 HydrophobicContact CE1-CE2 3.85Å; F137-F740 HydrophobicContact CE1-CZ 4.11Å; F137-F740 HydrophobicContact CZ-CD1 4.37Å; F137-F740 HydrophobicContact CZ-CD2 4.25Å; F137-F740 HydrophobicContact CZ-CE1 4.39Å; F137-F740 HydrophobicContact CZ-CE2 4.25Å; F137-F740 HydrophobicContact CZ-CG 4.31Å; F137-F740 HydrophobicContact CZ-CZ 4.32Å; L140-F740 HydrophobicContact CD1-CZ 4.27Å; L685-F740 HydrophobicContact CB-CB 4.11Å; L685-F740 HydrophobicContact CD2-CB 4.23Å; L685-F740 HydrophobicContact CD2-CD2 4.11Å; L685-F740 HydrophobicContact CD2-CG 4.35Å; L685-F740 PolarHBondContact N-O 3.4Å; L685-F740 PolarHBondContact O-N 2.91Å; L738-F740 HydrophobicContact CB-CD2 4.3Å; L738-F740 HydrophobicContact CB-CE2 3.66Å; L738-F740 HydrophobicContact CB-CZ 4.36Å; L738-F740 HydrophobicContact CD1-CE2 3.94Å; L738-F740 HydrophobicContact CD1-CZ 4.08Å; L738-F740 HydrophobicContact CG-CE2 4.49Å; F740-V757 HydrophobicContact CB-CG1 3.85Å; F740-V757 HydrophobicContact CD1-CG1 4.41Å; F740-V757 HydrophobicContact CG-CG1 4.3Å; F740-E759 WeakPolarHBondContact CA-O 3.44Å; F740-L760 HydrophobicContact CD1-CB 3.97Å; F740-L760 HydrophobicContact CD1-CD1 4.41Å; F740-L760 HydrophobicContact CD2-CD1 4.49Å; F740-L760 HydrophobicContact CE1-CB 3.67Å; F740-L760 HydrophobicContact CE1-CD1 4.06Å; F740-L760 HydrophobicContact CE1-CG 4.43Å; F740-L760 HydrophobicContact CE2-CD1 4.18Å; F740-L760 HydrophobicContact CZ-CB 4.34Å; F740-L760 HydrophobicContact CZ-CD1 3.95Å
741	R	88	Confident	82.4	Confident	9 Å²	9	34.7 Å²	34.7	3%	0.034	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	144.2	174.5	-168.8	166.3	-170.8	166.1	-5	111	E676 M684 R743 G758 E759 V761	E676-R741 VanDerWaalsContact CD-CZ 3.41Å; E676-R741 IonicContact OE1-CZ 2.55Å; E676-R741 IonicContact OE1-NH1 2.69Å; E676-R741 PolarHBondContact OE1-NH1 2.72Å; E676-R741 IonicContact OE1-NH2 3.88Å; E676-R741 PolarHBondContact OE1-NH2 2.7Å; E676-R741 IonicContact OE2-CZ 2.72Å; E676-R741 IonicContact OE2-NH1 3.99Å; E676-R741 PolarHBondContact OE2-NH1 3.44Å; E676-R741 IonicContact OE2-NH2 3.77Å; E676-R741 PolarHBondContact OE2-NH2 3Å; M684-R741 HydrophobicContact CE-CB 4.12Å; M684-R741 HydrophobicContact CE-CG 4.34Å; R741-R743 HydrophobicContact CG-CG 4.47Å; R741-G758 PolarHBondContact O-N 2.93Å; R741-E759 WeakPolarHBondContact CD-OE1 3.41Å; R741-E759 PolarHBondContact N-O 3.21Å; R741-V761 HydrophobicContact CB-CG1 4.01Å
742	I	86.4	Confident	81.5	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.6	165	-63.7	173.2	0	0	0	107.2	M423 L683 L685 V694 P755 Y756 Y868	M423-I742 HydrophobicContact SD-CB 4.42Å; M423-I742 HydrophobicContact SD-CG2 4.47Å; L683-I742 HydrophobicContact CB-CD1 4.03Å; L685-I742 HydrophobicContact CB-CD1 4.48Å; L685-I742 HydrophobicContact CB-CG1 4.37Å; V694-I742 HydrophobicContact CB-CD1 4.33Å; V694-I742 HydrophobicContact CG1-CD1 3.55Å; V694-I742 HydrophobicContact CG2-CD1 3.82Å; I742-P755 HydrophobicContact CG2-CB 3.8Å; I742-Y756 WeakPolarHBondContact CA-O 3.36Å; I742-Y868 HydrophobicContact CD1-CD1 4.15Å; I742-Y868 HydrophobicContact CD1-CE1 4.07Å; I742-Y868 HydrophobicContact CG2-CD1 4Å; I742-Y868 HydrophobicContact CG2-CE1 4.13Å
743	R	81.8	Confident	80.7	Confident	43 Å²	43	38.1 Å²	38.1	16%	0.162	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151	-179.9	-71.6	-175.7	174.6	-104.7	-7.8	109.7	R741 P755 Y756 E759	R741-R743 HydrophobicContact CG-CG 4.47Å; R743-P755 CarbonylContact O-C 3.6Å; R743-P755 VanDerWaalsContact O-CA 3.31Å; R743-P755 WeakPolarHBondContact O-CA 3.4Å; R743-Y756 HydrophobicContact CB-CD1 4.26Å; R743-Y756 HydrophobicContact CB-CD2 4.32Å; R743-Y756 HydrophobicContact CB-CE1 3.7Å; R743-Y756 HydrophobicContact CB-CE2 3.79Å; R743-Y756 VanDerWaalsContact CB-CZ 3.44Å; R743-Y756 HydrophobicContact CG-CE2 4.44Å; R743-Y756 PolarHBondContact N-O 3.04Å; R743-Y756 WeakPolarHBondContact O-CD1 3.09Å; R743-Y756 PolarHBondContact O-N 2.9Å; R743-E759 IonicContact CZ-OE1 3.18Å; R743-E759 IonicContact CZ-OE2 3.68Å; R743-E759 IonicContact NE-OE1 2.7Å; R743-E759 IonicContact NE-OE2 2.62Å; R743-E759 PolarHBondContact NE-OE2 3.13Å; R743-E759 VanDerWaalsContact NH2-CD 3.34Å; R743-E759 IonicContact NH2-OE1 3.28Å; R743-E759 PolarHBondContact NH2-OE1 3.32Å; R743-E759 IonicContact NH2-OE2 3.42Å; R743-E759 PolarHBondContact NH2-OE2 2.91Å
744	V	79.2	Confident	80.1	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.3	169.7	177.9	0	0	0	0	105.4	A420 A424 A425 L752 S753 P755	A420-V744 HydrophobicContact CB-CG1 4.39Å; A420-V744 HydrophobicContact CB-CG2 3.87Å; A424-V744 CarbonylContact C-O 3.58Å; A424-V744 VanDerWaalsContact CA-O 3.25Å; A424-V744 WeakPolarHBondContact CA-O 3.18Å; A425-V744 PolarHBondContact N-O 3.07Å; V744-L752 HydrophobicContact CG1-CB 3.91Å; V744-L752 HydrophobicContact CG1-CD2 3.55Å; V744-L752 HydrophobicContact CG1-CG 4.26Å; V744-S753 WeakPolarHBondContact CG1-O 2.9Å; V744-P755 HydrophobicContact CG2-CB 3.87Å
745	T	74.1	Confident	79.9	Confident	31 Å²	31	41.7 Å²	41.7	19%	0.19	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	138.6	170.9	49.7	0	0	0	0	111.1	A425 S753 Y756	A425-T745 CarbonylContact O-C 3.35Å; A425-T745 WeakPolarHBondContact O-CA 3.48Å; T745-S753 WeakPolarHBondContact CA-OG 3.48Å; T745-S753 PolarHBondContact N-OG 3.3Å; T745-S753 WeakPolarHBondContact O-CB 3.42Å; T745-S753 PolarHBondContact O-N 3.23Å; T745-S753 PolarHBondContact O-OG 3.02Å; T745-S753 WeakPolarHBondContact OG1-CB 3.47Å; T745-S753 PolarHBondContact OG1-OG 3.08Å; T745-Y756 HydrophobicContact CG2-CE1 4.05Å
746	E	70.2	Confident	79.5	Confident	43 Å²	43	44 Å²	44	20%	0.201	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.3	169.5	-73.6	171.3	160.9	0	0	109.3	A424 A425 A427 S432 E751 L752	A424-E746 HydrophobicContact CB-CG 3.49Å; A424-E746 VanDerWaalsContact CB-CG 3.49Å; A424-E746 WeakPolarHBondContact CB-OE1 3.32Å; A425-E746 PolarHBondContact O-N 3.45Å; A427-E746 VanDerWaalsContact CB-O 3.3Å; A427-E746 WeakPolarHBondContact CB-O 3.33Å; A427-E746 PolarHBondContact N-O 2.74Å; S432-E746 PolarHBondContact OG-OE2 2.75Å; E746-E751 WeakPolarHBondContact CA-O 3.44Å; E746-L752 HydrophobicContact CG-CD2 3.49Å; E746-L752 VanDerWaalsContact CG-CD2 3.49Å
747	D	69.4	Low	79.2	Confident	40 Å²	40	45.2 Å²	45.2	21%	0.214	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-77.8	171.8	172.2	-69.6	-19	0	0	0	111.4	D749 G750 E751 R874	D747-D749 PolarHBondContact O-N 2.67Å; D747-G750 PolarHBondContact O-N 3.12Å; D747-E751 PolarHBondContact N-O 3.16Å; D747-R874 VanDerWaalsContact CG-NH2 3.26Å; D747-R874 IonicContact OD1-NH2 3.56Å; D747-R874 PolarHBondContact OD1-NH2 2.72Å; D747-R874 IonicContact OD2-CZ 2.87Å; D747-R874 IonicContact OD2-NH1 3.5Å; D747-R874 IonicContact OD2-NH2 3.7Å; D747-R874 PolarHBondContact OD2-NH2 2.81Å
748	E	64.4	Low	78.8	Confident	162 Å²	162	46 Å²	46	76%	0.757	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.1	179.2	-64.5	-177.8	169.7	0	0	113.4	T428 G750	T428-E748 WeakPolarHBondContact OG1-CG 3.39Å; T428-E748 PolarHBondContact OG1-OE1 2.83Å; E748-G750 VanDerWaalsContact C-N 3.26Å; E748-G750 PolarHBondContact O-N 3.28Å
749	D	69.5	Low	78.2	Confident	148 Å²	148	47 Å²	47	79%	0.791	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-1.7	177.7	-62.9	-47.9	0	0	0	113.6	D747 E751	D747-D749 PolarHBondContact O-N 2.67Å; D749-E751 VanDerWaalsContact C-N 3.29Å
750	G	65.4	Low	77.9	Confident	54 Å²	54	47.2 Å²	47.2	56%	0.557	26%	0.262	S	S	*	.	S	Bend	trans	78.7	8	-174.9	0	0	0	0	0	114.4	D747 E748	D747-G750 PolarHBondContact O-N 3.12Å; E748-G750 VanDerWaalsContact C-N 3.26Å; E748-G750 PolarHBondContact O-N 3.28Å
751	E	70.2	Confident	77.7	Confident	137 Å²	137	47.8 Å²	47.8	64%	0.64	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-76.4	137.3	173.9	-66.6	-167.1	166.1	0	0	111.3	E746 D747 D749	E746-E751 WeakPolarHBondContact CA-O 3.44Å; D747-E751 PolarHBondContact N-O 3.16Å; D749-E751 VanDerWaalsContact C-N 3.29Å
752	L	72	Confident	77.8	Confident	56 Å²	56	47.4 Å²	47.4	29%	0.293	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-84.7	126.9	177.6	-67.6	169.3	0	0	0	110.3	A420 H421 A424 V744 E746	A420-L752 HydrophobicContact CB-CD1 4.02Å; H421-L752 VanDerWaalsContact CE1-CD1 3.41Å; H421-L752 WeakPolarHBondContact CE1-CD1 3.32Å; H421-L752 WeakPolarHBondContact ND1-CD1 3.39Å; A424-L752 HydrophobicContact CB-CD2 3.78Å; V744-L752 HydrophobicContact CG1-CB 3.91Å; V744-L752 HydrophobicContact CG1-CD2 3.55Å; V744-L752 HydrophobicContact CG1-CG 4.26Å; E746-L752 HydrophobicContact CG-CD2 3.49Å; E746-L752 VanDerWaalsContact CG-CD2 3.49Å
753	S	73	Confident	78	Confident	26 Å²	26	47.7 Å²	47.7	18%	0.182	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-64	165.2	167	60.5	0	0	0	0	112.9	V744 T745	V744-S753 WeakPolarHBondContact CG1-O 2.9Å; T745-S753 WeakPolarHBondContact CA-OG 3.48Å; T745-S753 PolarHBondContact N-OG 3.3Å; T745-S753 WeakPolarHBondContact O-CB 3.42Å; T745-S753 PolarHBondContact O-N 3.23Å; T745-S753 PolarHBondContact O-OG 3.02Å; T745-S753 WeakPolarHBondContact OG1-CB 3.47Å; T745-S753 PolarHBondContact OG1-OG 3.08Å
754	S	75.3	Confident	78.5	Confident	71 Å²	71	45.8 Å²	45.8	50%	0.497	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-59.9	136.5	169.3	56.1	0	0	0	0	110.9	Y756	S754-Y756 PolarHBondContact O-N 2.92Å
755	P	81.3	Confident	79.2	Confident	47 Å²	47	47.6 Å²	47.6	31%	0.305	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-64.3	134.1	179	28.1	-35.4	0	0	0	110.9	I742 R743 V744 Y868	I742-P755 HydrophobicContact CG2-CB 3.8Å; R743-P755 CarbonylContact O-C 3.6Å; R743-P755 VanDerWaalsContact O-CA 3.31Å; R743-P755 WeakPolarHBondContact O-CA 3.4Å; V744-P755 HydrophobicContact CG2-CB 3.87Å; P755-Y868 HydrophobicContact CB-CD1 3.79Å; P755-Y868 HydrophobicContact CB-CE1 3.68Å; P755-Y868 HydrophobicContact CG-CD1 3.86Å; P755-Y868 HydrophobicContact CG-CE1 3.52Å; P755-Y868 WeakPolarHBondContact O-CA 3.32Å; P755-Y868 WeakPolarHBondContact O-CD1 3.25Å
756	Y	82.5	Confident	80.1	Confident	54 Å²	54	46.2 Å²	46.2	21%	0.212	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	158.5	-179.9	67.9	-85.7	0	0	0	111.8	I742 R743 T745 S754 G758 Y868	I742-Y756 WeakPolarHBondContact CA-O 3.36Å; R743-Y756 HydrophobicContact CB-CD1 4.26Å; R743-Y756 HydrophobicContact CB-CD2 4.32Å; R743-Y756 HydrophobicContact CB-CE1 3.7Å; R743-Y756 HydrophobicContact CB-CE2 3.79Å; R743-Y756 VanDerWaalsContact CB-CZ 3.44Å; R743-Y756 HydrophobicContact CG-CE2 4.44Å; R743-Y756 PolarHBondContact N-O 3.04Å; R743-Y756 WeakPolarHBondContact O-CD1 3.09Å; R743-Y756 PolarHBondContact O-N 2.9Å; T745-Y756 HydrophobicContact CG2-CE1 4.05Å; S754-Y756 PolarHBondContact O-N 2.92Å; Y756-G758 PolarHBondContact O-N 3.07Å; Y756-Y868 CarbonylContact C-O 3.53Å; Y756-Y868 WeakPolarHBondContact CA-O 3.39Å
757	V	85.6	Confident	81.1	Confident	25 Å²	25	46.8 Å²	46.8	15%	0.152	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.2	178.3	-176.5	0	0	0	0	110.5	F137 L685 F740 Y868 L869	F137-V757 HydrophobicContact CE2-CB 4.36Å; F137-V757 HydrophobicContact CE2-CG1 3.97Å; F137-V757 HydrophobicContact CZ-CG1 3.81Å; L685-V757 HydrophobicContact CB-CG2 4.44Å; L685-V757 HydrophobicContact CD2-CG1 3.91Å; L685-V757 HydrophobicContact CD2-CG2 3.85Å; F740-V757 HydrophobicContact CB-CG1 3.85Å; F740-V757 HydrophobicContact CD1-CG1 4.41Å; F740-V757 HydrophobicContact CG-CG1 4.3Å; V757-Y868 PolarHBondContact N-O 2.99Å; V757-L869 HydrophobicContact CB-CD2 4.31Å; V757-L869 HydrophobicContact CG2-CD2 3.71Å
758	G	84.2	Confident	82.2	Confident	17 Å²	17	45.4 Å²	45.4	18%	0.175	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-147.2	169.5	0	0	0	0	0	112.3	R741 Y756	R741-G758 PolarHBondContact O-N 2.93Å; Y756-G758 PolarHBondContact O-N 3.07Å
759	E	83.1	Confident	83.5	Confident	23 Å²	23	37.7 Å²	37.7	11%	0.107	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	156.1	-170.2	68.2	-78.3	-178.3	0	0	115.2	E166 P673 F740 R741 R743 V761	E166-E759 WeakPolarHBondContact OE1-CA 3.28Å; P673-E759 HydrophobicContact CB-CG 3.77Å; P673-E759 WeakPolarHBondContact CB-OE1 3.3Å; P673-E759 HydrophobicContact CG-CG 4.28Å; F740-E759 WeakPolarHBondContact CA-O 3.44Å; R741-E759 WeakPolarHBondContact CD-OE1 3.41Å; R741-E759 PolarHBondContact N-O 3.21Å; R743-E759 IonicContact CZ-OE1 3.18Å; R743-E759 IonicContact CZ-OE2 3.68Å; R743-E759 IonicContact NE-OE1 2.7Å; R743-E759 IonicContact NE-OE2 2.62Å; R743-E759 PolarHBondContact NE-OE2 3.13Å; R743-E759 VanDerWaalsContact NH2-CD 3.34Å; R743-E759 IonicContact NH2-OE1 3.28Å; R743-E759 PolarHBondContact NH2-OE1 3.32Å; R743-E759 IonicContact NH2-OE2 3.42Å; R743-E759 PolarHBondContact NH2-OE2 2.91Å; E759-V761 HydrophobicContact CG-CG1 4.01Å; E759-V761 PolarHBondContact O-N 2.81Å
760	L	88.2	Confident	84.5	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	114.8	166.1	179.3	68	0	0	0	110	E166 T169 A170 R596 L738 F740 T763	E166-L760 HydrophobicContact CG-CB 4.03Å; E166-L760 WeakPolarHBondContact OE1-CB 3.3Å; E166-L760 PolarHBondContact OE1-N 3.34Å; T169-L760 HydrophobicContact CG2-CD2 4.02Å; A170-L760 HydrophobicContact CB-CD2 4.16Å; R596-L760 WeakPolarHBondContact CD-O 3.43Å; R596-L760 PolarHBondContact NH1-O 2.87Å; L738-L760 HydrophobicContact CB-CD1 3.83Å; L738-L760 HydrophobicContact CD2-CD1 4.2Å; L738-L760 HydrophobicContact CG-CD1 4.48Å; F740-L760 HydrophobicContact CD1-CB 3.97Å; F740-L760 HydrophobicContact CD1-CD1 4.41Å; F740-L760 HydrophobicContact CD2-CD1 4.49Å; F740-L760 HydrophobicContact CE1-CB 3.67Å; F740-L760 HydrophobicContact CE1-CD1 4.06Å; F740-L760 HydrophobicContact CE1-CG 4.43Å; F740-L760 HydrophobicContact CE2-CD1 4.18Å; F740-L760 HydrophobicContact CZ-CB 4.34Å; F740-L760 HydrophobicContact CZ-CD1 3.95Å; L760-T763 HydrophobicContact CD1-CG2 4.36Å; L760-T763 HydrophobicContact CD2-CG2 4.1Å; L760-T763 HydrophobicContact CG-CG2 4.49Å
761	V	87.7	Confident	85.7	Confident	13 Å²	13	30 Å²	30	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-30.5	-177.1	-65.9	0	0	0	0	113.8	R596 I678 M684 Q739 R741 E759	R596-V761 PolarHBondContact N-O 3.46Å; I678-V761 HydrophobicContact CD1-CB 3.78Å; I678-V761 HydrophobicContact CD1-CG1 4.29Å; I678-V761 HydrophobicContact CD1-CG2 3.92Å; M684-V761 HydrophobicContact CE-CG2 3.48Å; M684-V761 VanDerWaalsContact CE-CG2 3.48Å; Q739-V761 HydrophobicContact CB-CG2 4.37Å; Q739-V761 HydrophobicContact CG-CG2 4.12Å; Q739-V761 WeakPolarHBondContact O-CG2 3.4Å; Q739-V761 PolarHBondContact O-N 3.21Å; R741-V761 HydrophobicContact CB-CG1 4.01Å; E759-V761 HydrophobicContact CG-CG1 4.01Å; E759-V761 PolarHBondContact O-N 2.81Å
762	A	91.1	Very high	86.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.6	-176.7	0	0	0	0	0	112.5	M593 F594 F715 Q739	M593-A762 HydrophobicContact CE-CB 3.65Å; F594-A762 CarbonylContact O-C 3.43Å; F594-A762 WeakPolarHBondContact O-CA 3.36Å; F594-A762 VanDerWaalsContact O-CB 3.3Å; F594-A762 WeakPolarHBondContact O-CB 3.12Å; F715-A762 HydrophobicContact CE2-CB 4.03Å; F715-A762 HydrophobicContact CZ-CB 4.19Å; Q739-A762 HydrophobicContact CB-CB 4.19Å; Q739-A762 PolarHBondContact N-O 3.11Å; Q739-A762 PolarHBondContact O-N 2.54Å
763	T	90.9	Very high	87.3	Confident	7 Å²	7	25.1 Å²	25.1	4%	0.043	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.2	178.1	61	0	0	0	0	109.9	A173 G243 M593 F594 I737 L738 L760	A173-T763 HydrophobicContact CB-CG2 3.53Å; G243-T763 PolarHBondContact O-OG1 3.43Å; M593-T763 CarbonylContact C-O 3.51Å; M593-T763 WeakPolarHBondContact CA-O 3.4Å; F594-T763 PolarHBondContact N-O 3.44Å; F594-T763 PolarHBondContact O-N 2.84Å; I737-T763 CarbonylContact O-C 3.45Å; I737-T763 WeakPolarHBondContact O-CA 3.38Å; L738-T763 HydrophobicContact CD2-CG2 4.01Å; L760-T763 HydrophobicContact CD1-CG2 4.36Å; L760-T763 HydrophobicContact CD2-CG2 4.1Å; L760-T763 HydrophobicContact CG-CG2 4.49Å
764	G	92.4	Very high	88.2	Confident	4 Å²	4	25.8 Å²	25.8	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	-163.3	-176.3	0	0	0	0	0	115.3	T592 N736 I737	T592-G764 CarbonylContact O-C 3.59Å; T592-G764 WeakPolarHBondContact O-CA 3.32Å; N736-G764 WeakPolarHBondContact CA-O 3.26Å; I737-G764 WeakPolarHBondContact CG2-O 3.48Å; I737-G764 PolarHBondContact N-O 3.31Å; I737-G764 PolarHBondContact O-N 3.42Å
765	S	92.2	Very high	89.1	Confident	38 Å²	38	22.6 Å²	22.6	27%	0.266	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.4	174.1	65.5	0	0	0	0	113.2	F591 T592 V735 R767	F591-S765 CarbonylContact C-O 3.49Å; F591-S765 WeakPolarHBondContact CA-O 3.38Å; T592-S765 PolarHBondContact N-O 3.41Å; T592-S765 PolarHBondContact O-N 2.93Å; V735-S765 CarbonylContact O-C 3.53Å; V735-S765 VanDerWaalsContact O-CA 3.29Å; V735-S765 WeakPolarHBondContact O-CA 3.34Å; S765-R767 PolarHBondContact O-N 2.95Å
766	L	93.3	Very high	89.7	Confident	3 Å²	3	20.3 Å²	20.3	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	116.8	175.4	179.9	71.3	0	0	0	110.6	Y498 C589 F591 M731 S733 V735 V769	Y498-L766 WeakPolarHBondContact OH-CD2 3.13Å; C589-L766 HydrophobicContact CB-CD1 4.11Å; F591-L766 HydrophobicContact CD1-CB 4.01Å; F591-L766 HydrophobicContact CD1-CD1 3.98Å; F591-L766 HydrophobicContact CE1-CB 3.91Å; F591-L766 HydrophobicContact CE1-CD1 3.61Å; F591-L766 HydrophobicContact CE1-CG 4.35Å; F591-L766 HydrophobicContact CZ-CD1 3.96Å; M731-L766 HydrophobicContact CB-CD2 3.58Å; M731-L766 WeakPolarHBondContact O-CD2 3Å; S733-L766 PolarHBondContact OG-O 2.87Å; V735-L766 HydrophobicContact CB-CB 3.83Å; V735-L766 HydrophobicContact CB-CD2 4.16Å; V735-L766 HydrophobicContact CG2-CD2 4.14Å; V735-L766 PolarHBondContact O-N 2.85Å; L766-V769 HydrophobicContact CD1-CG2 4.18Å; L766-V769 HydrophobicContact CD2-CG2 4.22Å
767	R	91.6	Very high	90.3	Very high	55 Å²	55	20.3 Å²	20.3	21%	0.208	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-55.9	178	-173.7	-178.7	-171	-158.4	-0.9	111.3	H590 S703 S765	H590-R767 HydrophobicContact CB-CB 4.48Å; H590-R767 WeakPolarHBondContact O-CA 3.47Å; H590-R767 VanDerWaalsContact O-CB 3.27Å; H590-R767 WeakPolarHBondContact O-CB 3.45Å; H590-R767 PolarHBondContact O-N 2.68Å; S703-R767 PolarHBondContact O-NH1 3.18Å; S703-R767 PolarHBondContact O-NH2 3.36Å; S765-R767 PolarHBondContact O-N 2.95Å
768	S	91.9	Very high	90.7	Very high	11 Å²	11	22.3 Å²	22.3	8%	0.077	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	159.6	-174	49.2	0	0	0	0	111.6	H590	H590-S768 PolarHBondContact N-O 3.11Å; H590-S768 PolarHBondContact O-N 3.3Å
769	V	92.7	Very high	91.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	101.2	173	-178.9	0	0	0	0	106.9	F495 Y498 S587 V588 V730 M731 L766	F495-V769 HydrophobicContact CD2-CG1 4.31Å; F495-V769 HydrophobicContact CE2-CG1 4.16Å; Y498-V769 HydrophobicContact CD2-CB 3.78Å; Y498-V769 HydrophobicContact CD2-CG2 4.14Å; Y498-V769 HydrophobicContact CE2-CB 3.91Å; Y498-V769 HydrophobicContact CE2-CG2 3.72Å; Y498-V769 HydrophobicContact CG-CB 4.33Å; S587-V769 WeakPolarHBondContact OG-CG1 3.17Å; V588-V769 CarbonylContact O-C 3.55Å; V588-V769 WeakPolarHBondContact O-CA 3.5Å; V730-V769 HydrophobicContact CG2-CG1 4.25Å; M731-V769 WeakPolarHBondContact O-CG2 3.3Å; L766-V769 HydrophobicContact CD1-CG2 4.18Å; L766-V769 HydrophobicContact CD2-CG2 4.22Å
770	D	90.4	Very high	91.8	Very high	30 Å²	30	21.7 Å²	21.7	16%	0.16	11%	0.114	C	C	.	.			trans	-155	100	-170.3	-177.3	8.6	0	0	0	112.6	V588 H590 S772 H773	V588-D770 PolarHBondContact O-N 3.03Å; V588-D770 VanDerWaalsContact O-N 3.07Å; H590-D770 PolarHBondContact NE2-O 2.95Å; D770-S772 VanDerWaalsContact CG-OG 3.24Å; D770-S772 PolarHBondContact O-N 2.93Å; D770-S772 VanDerWaalsContact O-N 3.16Å; D770-S772 WeakPolarHBondContact OD1-CA 2.94Å; D770-S772 VanDerWaalsContact OD1-CB 3.27Å; D770-S772 WeakPolarHBondContact OD1-CB 3.41Å; D770-S772 PolarHBondContact OD1-N 3.3Å; D770-S772 PolarHBondContact OD1-OG 2.79Å; D770-S772 PolarHBondContact OD2-OG 2.72Å; D770-H773 PolarHBondContact O-N 3.41Å
771	P	90	Very high	92.1	Very high	11 Å²	11	21.5 Å²	21.5	7%	0.071	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.7	176.6	29.5	-34.7	0	0	0	114.3	Y489 I492 C494 V588	Y489-P771 HydrophobicContact CD1-CB 4.35Å; Y489-P771 HydrophobicContact CE1-CB 3.92Å; I492-P771 HydrophobicContact CD1-CB 3.42Å; I492-P771 VanDerWaalsContact CD1-CB 3.42Å; I492-P771 HydrophobicContact CD1-CG 4.19Å; I492-P771 HydrophobicContact CG1-CB 4.22Å; I492-P771 HydrophobicContact CG1-CG 4.5Å; C494-P771 HydrophobicContact CB-CG 3.56Å; V588-P771 HydrophobicContact CB-CB 4.21Å; V588-P771 HydrophobicContact CG2-CB 4Å
772	S	87	Confident	92.4	Very high	75 Å²	75	21.9 Å²	21.9	52%	0.524	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-13.6	179.1	77.8	0	0	0	0	113.8	D770 L774	D770-S772 VanDerWaalsContact CG-OG 3.24Å; D770-S772 PolarHBondContact O-N 2.93Å; D770-S772 VanDerWaalsContact O-N 3.16Å; D770-S772 WeakPolarHBondContact OD1-CA 2.94Å; D770-S772 VanDerWaalsContact OD1-CB 3.27Å; D770-S772 WeakPolarHBondContact OD1-CB 3.41Å; D770-S772 PolarHBondContact OD1-N 3.3Å; D770-S772 PolarHBondContact OD1-OG 2.79Å; D770-S772 PolarHBondContact OD2-OG 2.72Å; S772-L774 PolarHBondContact O-N 3.28Å
773	H	89.7	Confident	92.5	Very high	14 Å²	14	21.9 Å²	21.9	7%	0.065	12%	0.117	C	C	.	.			trans	-60.8	132.5	-178.8	-168.5	60.5	0	0	0	112	H590 P705 E707 D770	H590-H773 AromaticContact CE1-CD2 3.79Å; H590-H773 WeakPolarHBondContact NE2-CB 3.18Å; P705-H773 PolarHBondContact O-ND1 3.38Å; E707-H773 PolarHBondContact O-CE1 3.41Å; D770-H773 PolarHBondContact O-N 3.41Å
774	L	90.8	Very high	92.7	Very high	40 Å²	40	25.5 Å²	25.5	21%	0.209	13%	0.133	C	C	.	.			trans	-94.1	111.8	-173.8	-66.9	177	0	0	0	111	W478 K708 A709 S772	W478-L774 HydrophobicContact CB-CD1 3.74Å; W478-L774 HydrophobicContact CG-CD1 4.38Å; K708-L774 HydrophobicContact CG-CB 4.14Å; K708-L774 HydrophobicContact CG-CD1 4Å; A709-L774 PolarHBondContact N-O 3.49Å; S772-L774 PolarHBondContact O-N 3.28Å
775	I	94.1	Very high	92.9	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.1	171.7	-58.5	165	0	0	0	108.1	I698 A709 F711 T725 R854 V855	I698-I775 HydrophobicContact CD1-CD1 3.55Å; I698-I775 HydrophobicContact CD1-CG2 4.23Å; I698-I775 HydrophobicContact CG1-CD1 4.22Å; A709-I775 HydrophobicContact CB-CG1 4.45Å; F711-I775 HydrophobicContact CB-CG2 3.96Å; F711-I775 HydrophobicContact CD2-CG2 4.34Å; T725-I775 HydrophobicContact CG2-CD1 3.77Å; T725-I775 VanDerWaalsContact OG1-CD1 3.32Å; T725-I775 WeakPolarHBondContact OG1-CD1 3.45Å; I775-R854 WeakPolarHBondContact O-CA 3.39Å; I775-V855 HydrophobicContact CG2-CB 4.35Å; I775-V855 PolarHBondContact O-N 3.48Å
776	I	94.7	Very high	92.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.9	-169.2	-57.6	178.2	0	0	0	110.7	F473 W478 K708 A709 K710 F711 Y852 K853	F473-I776 HydrophobicContact CE2-CB 3.76Å; F473-I776 HydrophobicContact CE2-CD1 3.94Å; F473-I776 HydrophobicContact CE2-CG1 4.42Å; F473-I776 HydrophobicContact CE2-CG2 3.77Å; F473-I776 HydrophobicContact CZ-CB 4.12Å; F473-I776 HydrophobicContact CZ-CD1 4.49Å; W478-I776 HydrophobicContact CD2-CD1 4.25Å; W478-I776 HydrophobicContact CE3-CD1 3.45Å; W478-I776 VanDerWaalsContact CE3-CD1 3.45Å; W478-I776 HydrophobicContact CE3-CG1 4.26Å; W478-I776 HydrophobicContact CH2-CG2 4.39Å; W478-I776 HydrophobicContact CZ3-CD1 3.68Å; W478-I776 HydrophobicContact CZ3-CG1 4.19Å; W478-I776 HydrophobicContact CZ3-CG2 3.95Å; K708-I776 HydrophobicContact CB-CD1 3.66Å; K708-I776 HydrophobicContact CB-CG1 4.41Å; K708-I776 HydrophobicContact CD-CD1 3.49Å; K708-I776 VanDerWaalsContact CD-CD1 3.49Å; K708-I776 HydrophobicContact CG-CD1 3.53Å; A709-I776 PolarHBondContact O-N 3.03Å; K710-I776 CarbonylContact C-O 3.57Å; K710-I776 WeakPolarHBondContact CA-O 3.42Å; F711-I776 PolarHBondContact N-O 2.88Å; I776-Y852 HydrophobicContact CG2-CD1 3.97Å; I776-Y852 HydrophobicContact CG2-CG 4.32Å; I776-K853 CarbonylContact C-O 3.46Å; I776-K853 WeakPolarHBondContact CA-O 3.37Å
777	K	94.9	Very high	93	Very high	53 Å²	53	38 Å²	38	23%	0.23	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.6	167.1	-177.8	169.5	-178.3	176	0	109.2	F711 I779 Y852 K853 V855	F711-K777 HydrophobicContact CB-CB 4.17Å; F711-K777 HydrophobicContact CD1-CB 3.94Å; F711-K777 HydrophobicContact CD1-CD 4.13Å; F711-K777 HydrophobicContact CD1-CG 3.99Å; F711-K777 HydrophobicContact CE1-CD 4.29Å; F711-K777 HydrophobicContact CG-CB 4.33Å; K777-I779 HydrophobicContact CD-CG2 4.43Å; K777-I779 HydrophobicContact CG-CG2 4.23Å; K777-Y852 CarbonylContact O-C 3.57Å; K777-Y852 VanDerWaalsContact O-CA 3.3Å; K777-Y852 WeakPolarHBondContact O-CA 3.48Å; K777-K853 PolarHBondContact N-O 2.74Å; K777-K853 PolarHBondContact O-N 2.83Å; K777-V855 HydrophobicContact CB-CG2 3.6Å
778	R	94.3	Very high	93.2	Very high	68 Å²	68	38.5 Å²	38.5	26%	0.257	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.3	168.2	-178	172.6	67.3	-178.3	4.7	107.9	D450 F780 L851 Y852	D450-R778 IonicContact OD2-CZ 2.95Å; D450-R778 IonicContact OD2-NE 2.63Å; D450-R778 PolarHBondContact OD2-NE 3.2Å; D450-R778 IonicContact OD2-NH2 2.65Å; D450-R778 PolarHBondContact OD2-NH2 3.37Å; R778-F780 HydrophobicContact CG-CZ 4.46Å; R778-L851 CarbonylContact C-O 3.5Å; R778-L851 WeakPolarHBondContact CA-O 3.49Å; R778-Y852 HydrophobicContact CB-CD1 3.97Å; R778-Y852 HydrophobicContact CB-CE1 3.85Å; R778-Y852 HydrophobicContact CG-CD1 4.06Å; R778-Y852 HydrophobicContact CG-CE1 3.55Å
779	I	94.9	Very high	93.3	Very high	2 Å²	2	43 Å²	43	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.1	165.7	64.9	173.9	0	0	0	109	D450 V452 F464 Y467 K777 L781 P850 L851	D450-I779 CarbonylContact O-C 3.6Å; D450-I779 WeakPolarHBondContact O-CA 3.38Å; V452-I779 HydrophobicContact CB-CB 4.48Å; V452-I779 HydrophobicContact CG2-CB 3.93Å; V452-I779 HydrophobicContact CG2-CG2 3.8Å; F464-I779 HydrophobicContact CD1-CD1 3.47Å; F464-I779 VanDerWaalsContact CD1-CD1 3.47Å; F464-I779 HydrophobicContact CE1-CD1 3.47Å; F464-I779 VanDerWaalsContact CE1-CD1 3.47Å; F464-I779 HydrophobicContact CG-CD1 4.45Å; F464-I779 HydrophobicContact CZ-CD1 4.46Å; Y467-I779 HydrophobicContact CD1-CD1 3.74Å; Y467-I779 HydrophobicContact CD1-CG1 3.89Å; Y467-I779 HydrophobicContact CD2-CD1 4.36Å; Y467-I779 HydrophobicContact CE1-CB 4.45Å; Y467-I779 HydrophobicContact CE1-CD1 3.56Å; Y467-I779 HydrophobicContact CE1-CG1 3.74Å; Y467-I779 HydrophobicContact CE1-CG2 3.93Å; Y467-I779 HydrophobicContact CE2-CD1 4.16Å; Y467-I779 HydrophobicContact CG-CD1 4.17Å; K777-I779 HydrophobicContact CD-CG2 4.43Å; K777-I779 HydrophobicContact CG-CG2 4.23Å; I779-L781 HydrophobicContact CD1-CD2 4.13Å; I779-P850 WeakPolarHBondContact O-CA 3.33Å; I779-L851 HydrophobicContact CD1-CB 4.14Å; I779-L851 HydrophobicContact CD1-CD1 4.42Å; I779-L851 HydrophobicContact CG1-CB 3.7Å; I779-L851 PolarHBondContact N-O 3.07Å; I779-L851 PolarHBondContact O-N 3.07Å
780	F	94.6	Very high	93.3	Very high	24 Å²	24	50.3 Å²	50.3	11%	0.105	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.7	169.8	-66.8	-69.5	0	0	0	109	D450 E451 V452 R778 L848 M849 P850	D450-F780 HydrophobicContact CB-CD2 3.75Å; D450-F780 HydrophobicContact CB-CE2 4.05Å; D450-F780 PolarHBondContact O-N 3.35Å; E451-F780 HydrophobicContact CG-CB 4.38Å; V452-F780 PolarHBondContact N-O 3.37Å; R778-F780 HydrophobicContact CG-CZ 4.46Å; F780-L848 HydrophobicContact CB-CB 4.31Å; F780-L848 HydrophobicContact CB-CD2 4.13Å; F780-L848 HydrophobicContact CD1-CB 3.91Å; F780-L848 HydrophobicContact CD1-CD1 4.5Å; F780-L848 HydrophobicContact CG-CB 4.35Å; F780-M849 WeakPolarHBondContact CA-O 3.44Å; F780-P850 HydrophobicContact CD1-CB 3.99Å; F780-P850 HydrophobicContact CE1-CB 3.76Å
781	L	95	Very high	93.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.2	163.8	-51.4	-168.1	0	0	0	107.4	V452 T454 F464 I779 M798 F799 L848 M849 L851	V452-L781 HydrophobicContact CB-CD2 4.44Å; T454-L781 HydrophobicContact CG2-CB 4.33Å; T454-L781 HydrophobicContact CG2-CD1 3.76Å; T454-L781 HydrophobicContact CG2-CD2 4.05Å; T454-L781 HydrophobicContact CG2-CG 4.26Å; F464-L781 HydrophobicContact CD2-CD1 3.85Å; F464-L781 HydrophobicContact CD2-CD2 4.31Å; F464-L781 HydrophobicContact CE1-CD2 3.94Å; F464-L781 HydrophobicContact CE2-CD1 3.75Å; F464-L781 HydrophobicContact CE2-CD2 3.68Å; F464-L781 HydrophobicContact CE2-CG 4.41Å; F464-L781 HydrophobicContact CZ-CD1 4.39Å; F464-L781 HydrophobicContact CZ-CD2 3.46Å; F464-L781 VanDerWaalsContact CZ-CD2 3.46Å; I779-L781 HydrophobicContact CD1-CD2 4.13Å; L781-M798 HydrophobicContact CB-CG 4.01Å; L781-M798 HydrophobicContact CB-SD 4.49Å; L781-M798 WeakPolarHBondContact O-CE 3.44Å; L781-F799 HydrophobicContact CD1-CE1 3.99Å; L781-F799 HydrophobicContact CD1-CZ 4.42Å; L781-L848 CarbonylContact O-C 3.49Å; L781-L848 WeakPolarHBondContact O-CA 3.23Å; L781-M849 HydrophobicContact CB-CB 4.35Å; L781-M849 HydrophobicContact CB-CE 4.14Å; L781-M849 HydrophobicContact CD1-CE 3.39Å; L781-M849 HydrophobicContact CG-CE 3.88Å; L781-M849 PolarHBondContact N-O 3.34Å; L781-M849 PolarHBondContact O-N 3.37Å; L781-L851 HydrophobicContact CD1-CD1 3.78Å; L781-L851 HydrophobicContact CG-CD1 4Å
782	S	93.3	Very high	93.8	Very high	21 Å²	21	58.8 Å²	58.8	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	147.6	-177.1	56.7	0	0	0	0	111.3	M798 A847	S782-M798 WeakPolarHBondContact O-CA 3.4Å; S782-M798 WeakPolarHBondContact O-CB 3.37Å; S782-A847 CarbonylContact C-O 3.55Å
783	G	94.7	Very high	94.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146.9	176	0	0	0	0	0	110.8	R796 A847	G783-R796 WeakPolarHBondContact CA-O 3.33Å; G783-A847 PolarHBondContact N-O 3.38Å; G783-A847 PolarHBondContact O-N 3.06Å
784	H	94.6	Very high	94.6	Very high	82 Å²	82	56 Å²	56	38%	0.38	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.6	-175.2	-62.7	-81	0	0	0	111.1	Y786 V795 R796	H784-Y786 PolarHBondContact O-N 3.21Å; H784-V795 WeakPolarHBondContact O-CA 3.2Å; H784-R796 HydrophobicContact CB-CG 4.46Å; H784-R796 PolarHBondContact N-O 2.95Å; H784-R796 WeakPolarHBondContact O-CG 3.27Å; H784-R796 PolarHBondContact O-N 3.1Å
785	P	96	Very high	94.9	Very high	14 Å²	14	54.1 Å²	54.1	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	128.8	173.9	29.4	-35	0	0	0	109.7	I788 V793 I841 A843 D845	P785-I788 HydrophobicContact CB-CD1 4.09Å; P785-I788 HydrophobicContact CB-CG1 4.16Å; P785-V793 HydrophobicContact CB-CG1 3.66Å; P785-I841 HydrophobicContact CB-CD1 4.43Å; P785-A843 VanDerWaalsContact CG-O 3.29Å; P785-A843 WeakPolarHBondContact CG-O 3.36Å; P785-D845 WeakPolarHBondContact CD-O 3.35Å; P785-D845 WeakPolarHBondContact CG-O 2.92Å
786	Y	93	Very high	95	Very high	147 Å²	147	57.8 Å²	57.8	58%	0.576	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	-44.3	177.9	177.3	-116.3	0	0	0	111.8	H784 V794	H784-Y786 PolarHBondContact O-N 3.21Å; Y786-V794 HydrophobicContact CD1-CG1 4.44Å; Y786-V794 PolarHBondContact N-O 3.08Å
787	K	95.1	Very high	94.9	Very high	148 Å²	148	63.7 Å²	63.7	64%	0.643	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	123.7	179.1	-171.3	171.9	-176.9	172.8	0	110.6	V793 V794	K787-V793 CarbonylContact O-C 3.54Å; K787-V793 WeakPolarHBondContact O-CA 3.3Å; K787-V794 HydrophobicContact CB-CB 4.2Å; K787-V794 HydrophobicContact CB-CG2 4.31Å; K787-V794 PolarHBondContact N-O 2.76Å; K787-V794 PolarHBondContact O-N 2.95Å
788	I	95.2	Very high	94.9	Very high	64 Å²	64	61.2 Å²	61.2	33%	0.328	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.3	-176.2	-61.8	163.5	0	0	0	109.6	P785 V793 A843	P785-I788 HydrophobicContact CB-CD1 4.09Å; P785-I788 HydrophobicContact CB-CG1 4.16Å; I788-V793 HydrophobicContact CB-CG2 4.37Å; I788-V793 HydrophobicContact CG1-CG1 3.84Å; I788-V793 HydrophobicContact CG1-CG2 4.03Å; I788-V793 HydrophobicContact CG2-CG2 4.11Å; I788-A843 HydrophobicContact CD1-CB 4.08Å
789	N	94.1	Very high	95	Very high	106 Å²	106	58 Å²	58	57%	0.567	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	91.5	170.9	-178.1	10.6	0	0	0	109.5	R791 H792	N789-R791 PolarHBondContact O-N 2.86Å; N789-H792 CarbonylContact C-O 3.51Å; N789-H792 PolarHBondContact N-O 3.49Å; N789-H792 PolarHBondContact O-N 3.33Å
790	Q	92.8	Very high	95	Very high	154 Å²	154	60.8 Å²	60.8	72%	0.72	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	-106.1	-174	-58.1	-179.3	-0.9	0	0	111.4	P840	Q790-P840 WeakPolarHBondContact O-CA 3.45Å; Q790-P840 WeakPolarHBondContact O-CB 3.46Å
791	R	95.2	Very high	94.9	Very high	144 Å²	144	62.6 Å²	62.6	54%	0.543	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-15.6	179.1	-67.6	-174.9	-172.8	-173.6	-0.9	114	N789 V836 F837 D838	N789-R791 PolarHBondContact O-N 2.86Å; R791-V836 HydrophobicContact CB-CG1 4.45Å; R791-V836 WeakPolarHBondContact O-CA 3.44Å; R791-F837 WeakPolarHBondContact CB-O 3.3Å; R791-F837 PolarHBondContact O-N 3.47Å; R791-D838 PolarHBondContact NE-O 3.44Å
792	H	96.6	Very high	94.9	Very high	75 Å²	75	64.7 Å²	64.7	35%	0.347	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126	178.9	-68.9	-79	0	0	0	110.1	N789 C835 V836	N789-H792 CarbonylContact C-O 3.51Å; N789-H792 PolarHBondContact N-O 3.49Å; N789-H792 PolarHBondContact O-N 3.33Å; H792-C835 WeakPolarHBondContact CA-O 3.43Å; H792-V836 WeakPolarHBondContact ND1-CG2 3.29Å
793	V	96.8	Very high	95	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.4	-178.7	-176.2	0	0	0	0	110.5	P785 K787 I788 V795 C835 F837 I841	P785-V793 HydrophobicContact CB-CG1 3.66Å; K787-V793 CarbonylContact O-C 3.54Å; K787-V793 WeakPolarHBondContact O-CA 3.3Å; I788-V793 HydrophobicContact CB-CG2 4.37Å; I788-V793 HydrophobicContact CG1-CG1 3.84Å; I788-V793 HydrophobicContact CG1-CG2 4.03Å; I788-V793 HydrophobicContact CG2-CG2 4.11Å; V793-V795 HydrophobicContact CG1-CG2 4.26Å; V793-C835 PolarHBondContact N-O 3.38Å; V793-C835 PolarHBondContact O-N 2.89Å; V793-F837 HydrophobicContact CB-CD2 4.37Å; V793-F837 HydrophobicContact CB-CE2 4.31Å; V793-F837 HydrophobicContact CG2-CD2 4.2Å; V793-I841 HydrophobicContact CB-CD1 4.32Å; V793-I841 HydrophobicContact CG1-CD1 4.1Å; V793-I841 HydrophobicContact CG2-CD1 3.95Å; V793-I841 HydrophobicContact CG2-CG1 3.7Å
794	V	96.9	Very high	95	Very high	28 Å²	28	66.9 Å²	66.9	17%	0.17	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.8	167.8	-177	0	0	0	0	108	Y786 K787 H832 M833	Y786-V794 HydrophobicContact CD1-CG1 4.44Å; Y786-V794 PolarHBondContact N-O 3.08Å; K787-V794 HydrophobicContact CB-CB 4.2Å; K787-V794 HydrophobicContact CB-CG2 4.31Å; K787-V794 PolarHBondContact N-O 2.76Å; K787-V794 PolarHBondContact O-N 2.95Å; V794-H832 HydrophobicContact CG1-CB 4.4Å; V794-M833 CarbonylContact C-O 3.5Å; V794-M833 VanDerWaalsContact CA-O 3.29Å; V794-M833 WeakPolarHBondContact CA-O 3.29Å
795	V	96.6	Very high	95	Very high	1 Å²	1	63 Å²	63	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.6	179.7	-179.3	0	0	0	0	109.4	H784 V793 M833 C835 A847	H784-V795 WeakPolarHBondContact O-CA 3.2Å; V793-V795 HydrophobicContact CG1-CG2 4.26Å; V795-M833 HydrophobicContact CB-CE 3.91Å; V795-M833 HydrophobicContact CB-CG 4.11Å; V795-M833 HydrophobicContact CG1-CE 3.86Å; V795-M833 HydrophobicContact CG2-CE 4.49Å; V795-M833 PolarHBondContact N-O 3.29Å; V795-M833 PolarHBondContact O-N 3.02Å; V795-M833 VanDerWaalsContact O-N 3.08Å; V795-C835 HydrophobicContact CG2-CB 4.46Å; V795-A847 HydrophobicContact CG1-CB 4.05Å; V795-A847 HydrophobicContact CG2-CB 4.02Å
796	R	94.8	Very high	95	Very high	81 Å²	81	67 Å²	67	31%	0.306	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	164	176.8	65.5	174.6	179	174.5	2.9	111.8	G783 H784 M798	G783-R796 WeakPolarHBondContact CA-O 3.33Å; H784-R796 HydrophobicContact CB-CG 4.46Å; H784-R796 PolarHBondContact N-O 2.95Å; H784-R796 WeakPolarHBondContact O-CG 3.27Å; H784-R796 PolarHBondContact O-N 3.1Å; R796-M798 PolarHBondContact O-N 2.92Å; R796-M798 VanDerWaalsContact O-N 3.1Å
797	Y	94.1	Very high	95	Very high	124 Å²	124	65.1 Å²	65.1	49%	0.486	31%	0.313	S	S	.	.	S	Bend	trans	66.8	-5.4	174.5	-52.6	-42	0	0	0	117.7	F799	Y797-F799 VanDerWaalsContact C-N 3.34Å
798	M	95.3	Very high	95	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	29%	0.285	C	S	.	.	S	Bend	trans	-71.7	-31.3	170.7	-170.3	175.9	-67.1	0	0	113.1	T454 L781 S782 R796 L813 M833 A847 M849	T454-M798 WeakPolarHBondContact CG2-O 3.48Å; T454-M798 PolarHBondContact OG1-O 2.79Å; T454-M798 VanDerWaalsContact OG1-O 3.06Å; L781-M798 HydrophobicContact CB-CG 4.01Å; L781-M798 HydrophobicContact CB-SD 4.49Å; L781-M798 WeakPolarHBondContact O-CE 3.44Å; S782-M798 WeakPolarHBondContact O-CA 3.4Å; S782-M798 WeakPolarHBondContact O-CB 3.37Å; R796-M798 PolarHBondContact O-N 2.92Å; R796-M798 VanDerWaalsContact O-N 3.1Å; M798-L813 HydrophobicContact CE-CD2 4.36Å; M798-L813 HydrophobicContact SD-CD2 4.22Å; M798-M833 HydrophobicContact CB-CE 4.12Å; M798-M833 HydrophobicContact CE-CE 3.91Å; M798-M833 HydrophobicContact CG-CE 4.31Å; M798-M833 HydrophobicContact SD-CE 3.39Å; M798-M833 WeakPolarHBondContact SD-CE 3.15Å; M798-A847 HydrophobicContact CE-CB 4.25Å; M798-A847 WeakPolarHBondContact CE-O 3.47Å; M798-M849 HydrophobicContact CE-CB 4.22Å; M798-M849 HydrophobicContact SD-CB 3.74Å
799	F	95.9	Very high	94.9	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	29%	0.286	C	S	.	.			trans	-141.3	151.6	177	-60.1	-65.3	0	0	0	108.8	A460 L781 Y797 D804 V805 F808 G831 M833 M849	A460-F799 HydrophobicContact CB-CD1 3.57Å; A460-F799 HydrophobicContact CB-CE1 3.69Å; L781-F799 HydrophobicContact CD1-CE1 3.99Å; L781-F799 HydrophobicContact CD1-CZ 4.42Å; Y797-F799 VanDerWaalsContact C-N 3.34Å; F799-D804 HydrophobicContact CB-CB 4.22Å; F799-D804 HydrophobicContact CD1-CB 3.72Å; F799-D804 HydrophobicContact CE1-CB 4.3Å; F799-D804 HydrophobicContact CG-CB 4.06Å; F799-V805 HydrophobicContact CB-CG2 4.09Å; F799-V805 HydrophobicContact CD2-CG2 3.88Å; F799-V805 HydrophobicContact CG-CG2 4.32Å; F799-F808 HydrophobicContact CD1-CD2 4.39Å; F799-F808 AromaticContact CE1-CD2 3.38Å; F799-F808 HydrophobicContact CE1-CD2 3.38Å; F799-F808 AromaticContact CE1-CE2 3.82Å; F799-F808 HydrophobicContact CE1-CE2 3.82Å; F799-F808 HydrophobicContact CE1-CG 4.15Å; F799-F808 HydrophobicContact CE2-CB 4.25Å; F799-F808 HydrophobicContact CE2-CD2 4.47Å; F799-F808 HydrophobicContact CZ-CB 3.7Å; F799-F808 AromaticContact CZ-CD2 3.41Å; F799-F808 HydrophobicContact CZ-CD2 3.41Å; F799-F808 VanDerWaalsContact CZ-CD2 3.41Å; F799-F808 HydrophobicContact CZ-CE2 4.27Å; F799-F808 AromaticContact CZ-CG 3.74Å; F799-F808 HydrophobicContact CZ-CG 3.74Å; F799-G831 CarbonylContact O-C 3.57Å; F799-G831 WeakPolarHBondContact O-CA 3.48Å; F799-M833 HydrophobicContact CD2-SD 4.16Å; F799-M833 HydrophobicContact CE2-SD 4.17Å; F799-M849 HydrophobicContact CE1-CE 4.14Å; F799-M849 HydrophobicContact CE2-CE 4.4Å; F799-M849 HydrophobicContact CZ-CE 3.46Å; F799-M849 VanDerWaalsContact CZ-CE 3.46Å; F799-M849 HydrophobicContact CZ-SD 4.05Å
800	H	94.1	Very high	94.8	Very high	59 Å²	59	59.5 Å²	59.5	27%	0.273	30%	0.297	S	S	.	.	S	Bend	trans	-105	-13.5	179.2	-63.2	99.7	0	0	0	112.7	T454 P455 H830 G831	T454-H800 PolarHBondContact O-CE1 2.89Å; P455-H800 PolarHBondContact O-ND1 2.87Å; H800-H830 CarbonylContact O-C 3.55Å; H800-G831 PolarHBondContact O-N 3.46Å
801	N	92.9	Very high	94.9	Very high	62 Å²	62	52.8 Å²	52.8	33%	0.332	27%	0.266	S	S	.	.	S	Bend	trans	-126.5	141.8	-178.8	-63.8	-49.6	0	0	0	111.7	A803 D804	N801-A803 VanDerWaalsContact C-N 3.25Å; N801-A803 PolarHBondContact O-N 3.42Å; N801-D804 PolarHBondContact O-N 2.94Å
802	P	95	Very high	94.8	Very high	44 Å²	44	48.1 Å²	48.1	29%	0.286	25%	0.251	S	S	.	.	H	α-helix	trans	-67	-25.7	177.8	27.4	-34.6	0	0	0	112.9	D804 V805 I806 P826 T829	P802-D804 VanDerWaalsContact C-N 3.32Å; P802-D804 PolarHBondContact O-N 3.34Å; P802-V805 WeakPolarHBondContact O-CB 3.01Å; P802-V805 PolarHBondContact O-N 3.17Å; P802-I806 WeakPolarHBondContact O-CG1 2.99Å; P802-I806 PolarHBondContact O-N 2.9Å; P802-I806 VanDerWaalsContact O-N 3.16Å; P802-P826 HydrophobicContact CB-CB 3.97Å; P802-T829 WeakPolarHBondContact CD-O 3.49Å
803	A	94.6	Very high	94.7	Very high	64 Å²	64	44.6 Å²	44.6	53%	0.529	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-38.6	175.5	0	0	0	0	0	112.1	N801 I806 H807	N801-A803 VanDerWaalsContact C-N 3.25Å; N801-A803 PolarHBondContact O-N 3.42Å; A803-I806 PolarHBondContact O-N 3.2Å; A803-H807 WeakPolarHBondContact O-CB 3.41Å; A803-H807 PolarHBondContact O-N 3.5Å
804	D	94.9	Very high	94.6	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-68	-39.1	177.1	-68.4	-37.3	0	0	0	111.3	P459 A460 S461 F799 N801 P802 I806 H807 F808	P459-D804 WeakPolarHBondContact CA-OD2 2.95Å; A460-D804 HydrophobicContact CB-CB 4.12Å; A460-D804 VanDerWaalsContact N-CG 3.27Å; A460-D804 PolarHBondContact N-OD1 2.76Å; A460-D804 PolarHBondContact N-OD2 2.78Å; S461-D804 VanDerWaalsContact CB-OD1 3.28Å; S461-D804 WeakPolarHBondContact CB-OD1 3.31Å; S461-D804 PolarHBondContact N-OD1 2.98Å; S461-D804 PolarHBondContact OG-OD1 3.05Å; F799-D804 HydrophobicContact CB-CB 4.22Å; F799-D804 HydrophobicContact CD1-CB 3.72Å; F799-D804 HydrophobicContact CE1-CB 4.3Å; F799-D804 HydrophobicContact CG-CB 4.06Å; N801-D804 PolarHBondContact O-N 2.94Å; P802-D804 VanDerWaalsContact C-N 3.32Å; P802-D804 PolarHBondContact O-N 3.34Å; D804-I806 VanDerWaalsContact C-N 3.29Å; D804-I806 PolarHBondContact O-N 3.45Å; D804-H807 WeakPolarHBondContact O-CB 3.47Å; D804-H807 PolarHBondContact O-N 3.42Å; D804-F808 VanDerWaalsContact O-CD2 3.26Å; D804-F808 WeakPolarHBondContact O-CD2 3.45Å; D804-F808 PolarHBondContact O-N 2.87Å
805	V	95.7	Very high	94.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-43.3	174.5	178.9	0	0	0	0	111.2	F799 P802 Q809 I823 P826 G831 M833	F799-V805 HydrophobicContact CB-CG2 4.09Å; F799-V805 HydrophobicContact CD2-CG2 3.88Å; F799-V805 HydrophobicContact CG-CG2 4.32Å; P802-V805 WeakPolarHBondContact O-CB 3.01Å; P802-V805 PolarHBondContact O-N 3.17Å; V805-Q809 WeakPolarHBondContact O-CA 3.32Å; V805-Q809 WeakPolarHBondContact O-CB 3.24Å; V805-Q809 PolarHBondContact O-N 2.87Å; V805-I823 HydrophobicContact CG1-CG2 3.75Å; V805-P826 HydrophobicContact CB-CB 4.05Å; V805-P826 HydrophobicContact CG1-CB 3.92Å; V805-G831 WeakPolarHBondContact CG2-O 3.17Å; V805-M833 HydrophobicContact CB-CB 4.48Å; V805-M833 HydrophobicContact CG1-CB 3.5Å; V805-M833 VanDerWaalsContact CG1-CB 3.5Å; V805-M833 HydrophobicContact CG1-SD 4.38Å; V805-M833 HydrophobicContact CG2-CB 4.09Å
806	I	95.1	Very high	94.1	Very high	98 Å²	98	53.9 Å²	53.9	50%	0.503	27%	0.274	S	S	.	.	H	α-helix	trans	-66.6	-43.5	177.1	-64.4	166.9	0	0	0	110.3	P802 A803 D804 F808 Q809 P826	P802-I806 WeakPolarHBondContact O-CG1 2.99Å; P802-I806 PolarHBondContact O-N 2.9Å; P802-I806 VanDerWaalsContact O-N 3.16Å; A803-I806 PolarHBondContact O-N 3.2Å; D804-I806 VanDerWaalsContact C-N 3.29Å; D804-I806 PolarHBondContact O-N 3.45Å; I806-F808 VanDerWaalsContact C-N 3.34Å; I806-F808 PolarHBondContact O-N 2.83Å; I806-Q809 VanDerWaalsContact O-CB 3.27Å; I806-Q809 WeakPolarHBondContact O-CB 3.45Å; I806-Q809 PolarHBondContact O-N 2.93Å; I806-P826 HydrophobicContact CD1-CG 4.22Å; I806-P826 HydrophobicContact CG1-CG 3.97Å
807	H	93.5	Very high	93.9	Very high	108 Å²	108	52.7 Å²	52.7	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-43	178.9	-176.4	87.3	0	0	0	112.6	A803 D804	A803-H807 WeakPolarHBondContact O-CB 3.41Å; A803-H807 PolarHBondContact O-N 3.5Å; D804-H807 WeakPolarHBondContact O-CB 3.47Å; D804-H807 PolarHBondContact O-N 3.42Å
808	F	94.8	Very high	93.8	Very high	9 Å²	9	48.6 Å²	48.6	4%	0.039	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	6.2	-178.9	-67.7	-73	0	0	0	114	A460 F464 F799 D804 I806 S810 V811 M849 L851	A460-F808 HydrophobicContact CB-CE2 4Å; F464-F808 HydrophobicContact CB-CZ 4.18Å; F799-F808 HydrophobicContact CD1-CD2 4.39Å; F799-F808 AromaticContact CE1-CD2 3.38Å; F799-F808 HydrophobicContact CE1-CD2 3.38Å; F799-F808 AromaticContact CE1-CE2 3.82Å; F799-F808 HydrophobicContact CE1-CE2 3.82Å; F799-F808 HydrophobicContact CE1-CG 4.15Å; F799-F808 HydrophobicContact CE2-CB 4.25Å; F799-F808 HydrophobicContact CE2-CD2 4.47Å; F799-F808 HydrophobicContact CZ-CB 3.7Å; F799-F808 AromaticContact CZ-CD2 3.41Å; F799-F808 HydrophobicContact CZ-CD2 3.41Å; F799-F808 VanDerWaalsContact CZ-CD2 3.41Å; F799-F808 HydrophobicContact CZ-CE2 4.27Å; F799-F808 AromaticContact CZ-CG 3.74Å; F799-F808 HydrophobicContact CZ-CG 3.74Å; D804-F808 VanDerWaalsContact O-CD2 3.26Å; D804-F808 WeakPolarHBondContact O-CD2 3.45Å; D804-F808 PolarHBondContact O-N 2.87Å; I806-F808 VanDerWaalsContact C-N 3.34Å; I806-F808 PolarHBondContact O-N 2.83Å; F808-S810 PolarHBondContact O-N 3.36Å; F808-S810 VanDerWaalsContact O-N 3.1Å; F808-V811 HydrophobicContact CB-CG2 4.47Å; F808-V811 HydrophobicContact CD1-CG2 4.19Å; F808-V811 WeakPolarHBondContact O-CB 3.36Å; F808-V811 PolarHBondContact O-N 3.36Å; F808-M849 HydrophobicContact CB-CE 4.19Å; F808-M849 HydrophobicContact CB-SD 3.78Å; F808-M849 HydrophobicContact CD1-CE 3.96Å; F808-M849 HydrophobicContact CD1-SD 4.25Å; F808-M849 HydrophobicContact CG-CE 3.97Å; F808-M849 HydrophobicContact CG-SD 4.18Å; F808-L851 HydrophobicContact CD1-CD2 4.2Å; F808-L851 HydrophobicContact CE1-CD1 3.98Å; F808-L851 HydrophobicContact CE1-CD2 4.1Å; F808-L851 HydrophobicContact CZ-CD1 4.47Å
809	Q	94	Very high	93.7	Very high	78 Å²	78	48.5 Å²	48.5	36%	0.364	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.3	-174.4	-171.3	179.8	13.7	0	0	113.7	V805 I806 V811 I823 K824	V805-Q809 WeakPolarHBondContact O-CA 3.32Å; V805-Q809 WeakPolarHBondContact O-CB 3.24Å; V805-Q809 PolarHBondContact O-N 2.87Å; I806-Q809 VanDerWaalsContact O-CB 3.27Å; I806-Q809 WeakPolarHBondContact O-CB 3.45Å; I806-Q809 PolarHBondContact O-N 2.93Å; Q809-V811 VanDerWaalsContact C-N 3.26Å; Q809-V811 PolarHBondContact O-N 2.97Å; Q809-I823 HydrophobicContact CG-CB 4.24Å; Q809-I823 HydrophobicContact CG-CG2 4.14Å; Q809-K824 PolarHBondContact NE2-O 2.75Å
810	S	91.8	Very high	93.7	Very high	112 Å²	112	50.6 Å²	50.6	78%	0.783	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.3	179.3	61.1	0	0	0	0	114.2	F808	F808-S810 PolarHBondContact O-N 3.36Å; F808-S810 VanDerWaalsContact O-N 3.1Å
811	V	93.4	Very high	93.7	Very high	13 Å²	13	47.8 Å²	47.8	8%	0.079	27%	0.273	C	S	.	.	S	Bend	trans	-81.9	137.1	-177.4	-173.7	0	0	0	0	109.9	F808 Q809 M849 L851	F808-V811 HydrophobicContact CB-CG2 4.47Å; F808-V811 HydrophobicContact CD1-CG2 4.19Å; F808-V811 WeakPolarHBondContact O-CB 3.36Å; F808-V811 PolarHBondContact O-N 3.36Å; Q809-V811 VanDerWaalsContact C-N 3.26Å; Q809-V811 PolarHBondContact O-N 2.97Å; V811-M849 HydrophobicContact CB-CG 4.15Å; V811-M849 HydrophobicContact CB-SD 3.82Å; V811-M849 HydrophobicContact CG1-CG 3.53Å; V811-M849 HydrophobicContact CG1-SD 3.85Å; V811-M849 HydrophobicContact CG2-SD 4.38Å; V811-L851 HydrophobicContact CG1-CD2 4.33Å; V811-L851 HydrophobicContact CG2-CD2 4.43Å
812	Q	93.8	Very high	93.8	Very high	47 Å²	47	49.7 Å²	49.7	22%	0.22	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	136.3	177.4	-176.2	168.2	42.3	0	0	110.6	P471 V820 P850	P471-Q812 PolarHBondContact O-OE1 3.38Å; Q812-V820 HydrophobicContact CG-CG1 3.74Å; Q812-P850 WeakPolarHBondContact O-CD 3.48Å
813	L	95.1	Very high	93.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	151.3	174.4	-59.7	179.2	0	0	0	110.7	M798 V820 G821 I823 M833 C835 F837 L848 M849	M798-L813 HydrophobicContact CE-CD2 4.36Å; M798-L813 HydrophobicContact SD-CD2 4.22Å; L813-V820 WeakPolarHBondContact O-CA 3.18Å; L813-G821 PolarHBondContact N-O 3.36Å; L813-G821 PolarHBondContact O-N 2.98Å; L813-I823 HydrophobicContact CD1-CG1 3.81Å; L813-I823 HydrophobicContact CD2-CD1 4.48Å; L813-I823 HydrophobicContact CD2-CG1 4.46Å; L813-I823 HydrophobicContact CG-CG1 4.17Å; L813-M833 HydrophobicContact CD1-CE 4.07Å; L813-C835 HydrophobicContact CD1-CB 3.96Å; L813-C835 WeakPolarHBondContact CD1-SG 3.44Å; L813-F837 HydrophobicContact CB-CE1 4.19Å; L813-F837 HydrophobicContact CB-CZ 4.33Å; L813-F837 HydrophobicContact CD1-CZ 4.38Å; L813-L848 WeakPolarHBondContact CA-O 3.21Å; L813-M849 HydrophobicContact CD2-CB 3.61Å; L813-M849 HydrophobicContact CD2-CG 3.85Å; L813-M849 HydrophobicContact CD2-SD 4.45Å
814	Q	93.7	Very high	94	Very high	67 Å²	67	50.2 Å²	50.2	31%	0.313	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.2	171.9	-63.5	-180	5.1	0	0	108.5	A819 L848	Q814-A819 CarbonylContact C-O 3.43Å; Q814-A819 VanDerWaalsContact CA-O 3.25Å; Q814-A819 WeakPolarHBondContact CA-O 3.23Å; Q814-L848 PolarHBondContact N-O 3.33Å; Q814-L848 WeakPolarHBondContact O-CA 3.41Å; Q814-L848 WeakPolarHBondContact O-CB 3.33Å; Q814-L848 PolarHBondContact O-N 3.01Å; Q814-L848 VanDerWaalsContact O-O 3.07Å
815	S	93.5	Very high	94	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	161.4	171.1	76.3	0	0	0	0	111.1	S817 G818 A819 D845 V846	S815-S817 PolarHBondContact O-N 3.22Å; S815-S817 PolarHBondContact OG-N 3.29Å; S815-S817 PolarHBondContact OG-OG 3.47Å; S815-G818 WeakPolarHBondContact O-CA 3.41Å; S815-G818 PolarHBondContact O-N 3.22Å; S815-G818 PolarHBondContact OG-N 2.91Å; S815-A819 PolarHBondContact N-O 3.13Å; S815-A819 WeakPolarHBondContact OG-CB 3.26Å; S815-A819 PolarHBondContact OG-N 2.82Å; S815-D845 VanDerWaalsContact CB-OD2 3.23Å; S815-D845 WeakPolarHBondContact CB-OD2 3.19Å; S815-D845 PolarHBondContact OG-OD2 3.32Å; S815-D845 VanDerWaalsContact OG-OD2 3.11Å; S815-V846 CarbonylContact C-O 3.54Å; S815-V846 VanDerWaalsContact CA-O 3.27Å; S815-V846 WeakPolarHBondContact CA-O 3.28Å
816	K	90.3	Very high	94.1	Very high	152 Å²	152	55.9 Å²	55.9	66%	0.661	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.7	173.6	-167.5	170.1	-177.7	164.3	0	112	G818 D845 V846	K816-G818 PolarHBondContact O-N 3.38Å; K816-D845 WeakPolarHBondContact CB-OD1 3.22Å; K816-D845 PolarHBondContact N-OD1 3.41Å; K816-D845 VanDerWaalsContact N-OD1 3.07Å; K816-V846 PolarHBondContact N-O 3.46Å
817	S	91	Very high	94.1	Very high	57 Å²	57	53.9 Å²	53.9	40%	0.399	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	0	168.8	67.2	0	0	0	0	114.9	S815 R839 D845	S815-S817 PolarHBondContact O-N 3.22Å; S815-S817 PolarHBondContact OG-N 3.29Å; S815-S817 PolarHBondContact OG-OG 3.47Å; S817-R839 PolarHBondContact O-NH1 3.43Å; S817-R839 PolarHBondContact O-NH2 2.98Å; S817-D845 VanDerWaalsContact CB-OD2 3.3Å; S817-D845 WeakPolarHBondContact CB-OD2 3.29Å; S817-D845 PolarHBondContact N-OD1 3.48Å; S817-D845 PolarHBondContact OG-OD2 3.47Å
818	G	90.6	Very high	94.1	Very high	38 Å²	38	51.6 Å²	51.6	39%	0.392	29%	0.294	S	S	.	.			trans	82.5	10.1	178.1	0	0	0	0	0	114.7	S815 K816 R839	S815-G818 WeakPolarHBondContact O-CA 3.41Å; S815-G818 PolarHBondContact O-N 3.22Å; S815-G818 PolarHBondContact OG-N 2.91Å; K816-G818 PolarHBondContact O-N 3.38Å; G818-R839 PolarHBondContact O-NH2 3.05Å
819	A	94.2	Very high	93.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.323	C	S	.	.			trans	-67.3	148.3	172.5	0	0	0	0	0	109.8	Q814 S815 F837 D838 R839 I841	Q814-A819 CarbonylContact C-O 3.43Å; Q814-A819 VanDerWaalsContact CA-O 3.25Å; Q814-A819 WeakPolarHBondContact CA-O 3.23Å; S815-A819 PolarHBondContact N-O 3.13Å; S815-A819 WeakPolarHBondContact OG-CB 3.26Å; S815-A819 PolarHBondContact OG-N 2.82Å; A819-F837 HydrophobicContact CB-CB 4.49Å; A819-F837 HydrophobicContact CB-CD1 4.05Å; A819-D838 WeakPolarHBondContact CA-OD1 3.48Å; A819-D838 WeakPolarHBondContact CB-OD1 3.42Å; A819-R839 HydrophobicContact CB-CG 3.5Å; A819-R839 VanDerWaalsContact CB-CG 3.5Å; A819-I841 HydrophobicContact CB-CG2 3.52Å
820	V	94.7	Very high	93.7	Very high	45 Å²	45	58.7 Å²	58.7	27%	0.273	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.6	-176.4	177.6	0	0	0	0	108.6	Q812 L813 F837 D838	Q812-V820 HydrophobicContact CG-CG1 3.74Å; L813-V820 WeakPolarHBondContact O-CA 3.18Å; V820-F837 CarbonylContact O-C 3.41Å; V820-F837 WeakPolarHBondContact O-CA 3.33Å; V820-D838 PolarHBondContact N-OD1 3.01Å; V820-D838 PolarHBondContact O-N 2.94Å
821	G	95.2	Very high	93.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	175.2	-174.6	0	0	0	0	0	115.1	L813 V836	L813-G821 PolarHBondContact N-O 3.36Å; L813-G821 PolarHBondContact O-N 2.98Å; G821-V836 CarbonylContact C-O 2.95Å; G821-V836 WeakPolarHBondContact CA-O 3.3Å
822	H	95.6	Very high	93.9	Very high	102 Å²	102	55 Å²	55	47%	0.472	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.9	179.7	-62.6	-78.3	0	0	0	110.7	C835 V836	H822-C835 CarbonylContact O-C 3.59Å; H822-C835 VanDerWaalsContact O-CA 3.25Å; H822-C835 WeakPolarHBondContact O-CA 3.4Å; H822-V836 PolarHBondContact N-O 3.14Å; H822-V836 PolarHBondContact O-N 2.95Å
823	I	96.4	Very high	94	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.051	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.7	175.6	-58.7	172.4	0	0	0	108.7	V805 Q809 L813 M833	V805-I823 HydrophobicContact CG1-CG2 3.75Å; Q809-I823 HydrophobicContact CG-CB 4.24Å; Q809-I823 HydrophobicContact CG-CG2 4.14Å; L813-I823 HydrophobicContact CD1-CG1 3.81Å; L813-I823 HydrophobicContact CD2-CD1 4.48Å; L813-I823 HydrophobicContact CD2-CG1 4.46Å; L813-I823 HydrophobicContact CG-CG1 4.17Å; I823-M833 HydrophobicContact CD1-CE 4.42Å; I823-M833 HydrophobicContact CD1-SD 3.57Å; I823-M833 VanDerWaalsContact CD1-SD 3.57Å; I823-M833 HydrophobicContact CG1-CE 4.49Å; I823-M833 HydrophobicContact CG1-SD 3.72Å; I823-M833 HydrophobicContact CG2-CB 4.28Å; I823-M833 HydrophobicContact CG2-SD 4.24Å
824	K	96.1	Very high	94.1	Very high	108 Å²	108	55.6 Å²	55.6	47%	0.47	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-54.2	178.1	-173.6	175.4	178.7	174.9	0	112	Q809 K834 V836	Q809-K824 PolarHBondContact NE2-O 2.75Å; K824-K834 WeakPolarHBondContact CA-O 3.48Å; K824-K834 VanDerWaalsContact CB-O 3.3Å; K824-K834 WeakPolarHBondContact CB-O 3.42Å; K824-K834 PolarHBondContact N-O 3.35Å; K824-V836 HydrophobicContact CB-CG2 4.43Å; K824-V836 HydrophobicContact CD-CG2 4.5Å
825	E	95.8	Very high	94.3	Very high	78 Å²	78	52.4 Å²	52.4	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	149.2	-174.4	60	-164.3	165.1	0	0	111.1	K834	E825-K834 HydrophobicContact CG-CB 3.97Å; E825-K834 HydrophobicContact CG-CD 4Å; E825-K834 PolarHBondContact N-O 3.24Å; E825-K834 PolarHBondContact O-N 2.76Å; E825-K834 WeakPolarHBondContact OE1-CD 3.43Å; E825-K834 IonicContact OE1-NZ 2.73Å; E825-K834 PolarHBondContact OE1-NZ 2.87Å
826	P	96.9	Very high	94.4	Very high	45 Å²	45	54.4 Å²	54.4	29%	0.292	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	150.3	166.7	30.2	-34.7	0	0	0	111	P802 V805 I806 H832	P802-P826 HydrophobicContact CB-CB 3.97Å; V805-P826 HydrophobicContact CB-CB 4.05Å; V805-P826 HydrophobicContact CG1-CB 3.92Å; I806-P826 HydrophobicContact CD1-CG 4.22Å; I806-P826 HydrophobicContact CG1-CG 3.97Å; P826-H832 CarbonylContact C-O 3.54Å
827	V	95.1	Very high	94.7	Very high	56 Å²	56	47.4 Å²	47.4	34%	0.339	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.1	-179	-179.2	0	0	0	0	109	H832 K834	V827-H832 HydrophobicContact CB-CB 4.15Å; V827-H832 PolarHBondContact N-O 3.4Å; V827-H832 WeakPolarHBondContact O-CB 3.09Å; V827-K834 HydrophobicContact CG2-CB 3.9Å
828	G	93.2	Very high	95	Very high	61 Å²	61	48.5 Å²	48.5	63%	0.629	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	-154.7	178.8	0	0	0	0	0	113.8
829	T	90.6	Very high	95.2	Very high	103 Å²	103	52.1 Å²	52.1	63%	0.632	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-13.1	-174.2	52.4	0	0	0	0	114.3	P802 G831	P802-T829 WeakPolarHBondContact CD-O 3.49Å; T829-G831 VanDerWaalsContact C-N 3.33Å; T829-G831 PolarHBondContact O-N 2.72Å
830	H	90.9	Very high	95.2	Very high	132 Å²	132	56 Å²	56	61%	0.611	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	27.5	-171.2	-59.2	85.3	0	0	0	113.3	H800 H832	H800-H830 CarbonylContact O-C 3.55Å; H830-H832 PolarHBondContact O-N 2.97Å; H830-H832 PolarHBondContact O-ND1 3.38Å
831	G	92.5	Very high	95.2	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	14.9	-178.9	0	0	0	0	0	115.6	F799 H800 V805 T829	F799-G831 CarbonylContact O-C 3.57Å; F799-G831 WeakPolarHBondContact O-CA 3.48Å; H800-G831 PolarHBondContact O-N 3.46Å; V805-G831 WeakPolarHBondContact CG2-O 3.17Å; T829-G831 VanDerWaalsContact C-N 3.33Å; T829-G831 PolarHBondContact O-N 2.72Å
832	H	96.4	Very high	95	Very high	45 Å²	45	60.4 Å²	60.4	21%	0.208	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	151.1	174.3	-58.2	3.8	0	0	0	109.4	V794 P826 V827 H830	V794-H832 HydrophobicContact CG1-CB 4.4Å; P826-H832 CarbonylContact C-O 3.54Å; V827-H832 HydrophobicContact CB-CB 4.15Å; V827-H832 PolarHBondContact N-O 3.4Å; V827-H832 WeakPolarHBondContact O-CB 3.09Å; H830-H832 PolarHBondContact O-N 2.97Å; H830-H832 PolarHBondContact O-ND1 3.38Å
833	M	96.3	Very high	94.9	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.7	-176.2	61.6	177.5	-177.4	0	0	111.4	V794 V795 M798 F799 V805 L813 I823	V794-M833 CarbonylContact C-O 3.5Å; V794-M833 VanDerWaalsContact CA-O 3.29Å; V794-M833 WeakPolarHBondContact CA-O 3.29Å; V795-M833 HydrophobicContact CB-CE 3.91Å; V795-M833 HydrophobicContact CB-CG 4.11Å; V795-M833 HydrophobicContact CG1-CE 3.86Å; V795-M833 HydrophobicContact CG2-CE 4.49Å; V795-M833 PolarHBondContact N-O 3.29Å; V795-M833 PolarHBondContact O-N 3.02Å; V795-M833 VanDerWaalsContact O-N 3.08Å; M798-M833 HydrophobicContact CB-CE 4.12Å; M798-M833 HydrophobicContact CE-CE 3.91Å; M798-M833 HydrophobicContact CG-CE 4.31Å; M798-M833 HydrophobicContact SD-CE 3.39Å; M798-M833 WeakPolarHBondContact SD-CE 3.15Å; F799-M833 HydrophobicContact CD2-SD 4.16Å; F799-M833 HydrophobicContact CE2-SD 4.17Å; V805-M833 HydrophobicContact CB-CB 4.48Å; V805-M833 HydrophobicContact CG1-CB 3.5Å; V805-M833 VanDerWaalsContact CG1-CB 3.5Å; V805-M833 HydrophobicContact CG1-SD 4.38Å; V805-M833 HydrophobicContact CG2-CB 4.09Å; L813-M833 HydrophobicContact CD1-CE 4.07Å; I823-M833 HydrophobicContact CD1-CE 4.42Å; I823-M833 HydrophobicContact CD1-SD 3.57Å; I823-M833 VanDerWaalsContact CD1-SD 3.57Å; I823-M833 HydrophobicContact CG1-CE 4.49Å; I823-M833 HydrophobicContact CG1-SD 3.72Å; I823-M833 HydrophobicContact CG2-CB 4.28Å; I823-M833 HydrophobicContact CG2-SD 4.24Å
834	K	97.3	Very high	94.7	Very high	60 Å²	60	66.1 Å²	66.1	26%	0.261	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.6	173.8	-173.2	-176.1	-173.7	173.6	0	108.7	K824 E825 V827	K824-K834 WeakPolarHBondContact CA-O 3.48Å; K824-K834 VanDerWaalsContact CB-O 3.3Å; K824-K834 WeakPolarHBondContact CB-O 3.42Å; K824-K834 PolarHBondContact N-O 3.35Å; E825-K834 HydrophobicContact CG-CB 3.97Å; E825-K834 HydrophobicContact CG-CD 4Å; E825-K834 PolarHBondContact N-O 3.24Å; E825-K834 PolarHBondContact O-N 2.76Å; E825-K834 WeakPolarHBondContact OE1-CD 3.43Å; E825-K834 IonicContact OE1-NZ 2.73Å; E825-K834 PolarHBondContact OE1-NZ 2.87Å; V827-K834 HydrophobicContact CG2-CB 3.9Å
835	C	96.9	Very high	94.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	157.8	-178.1	-55.5	0	0	0	0	110.6	H792 V793 V795 L813 H822 F837	H792-C835 WeakPolarHBondContact CA-O 3.43Å; V793-C835 PolarHBondContact N-O 3.38Å; V793-C835 PolarHBondContact O-N 2.89Å; V795-C835 HydrophobicContact CG2-CB 4.46Å; L813-C835 HydrophobicContact CD1-CB 3.96Å; L813-C835 WeakPolarHBondContact CD1-SG 3.44Å; H822-C835 CarbonylContact O-C 3.59Å; H822-C835 VanDerWaalsContact O-CA 3.25Å; H822-C835 WeakPolarHBondContact O-CA 3.4Å; C835-F837 HydrophobicContact CB-CD2 4.49Å; C835-F837 HydrophobicContact CB-CE2 3.93Å
836	V	96.9	Very high	94.4	Very high	48 Å²	48	59 Å²	59	29%	0.291	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.7	172.6	-170	0	0	0	0	108.4	R791 H792 G821 H822 K824	R791-V836 HydrophobicContact CB-CG1 4.45Å; R791-V836 WeakPolarHBondContact O-CA 3.44Å; H792-V836 WeakPolarHBondContact ND1-CG2 3.29Å; G821-V836 CarbonylContact C-O 2.95Å; G821-V836 WeakPolarHBondContact CA-O 3.3Å; H822-V836 PolarHBondContact N-O 3.14Å; H822-V836 PolarHBondContact O-N 2.95Å; K824-V836 HydrophobicContact CB-CG2 4.43Å; K824-V836 HydrophobicContact CD-CG2 4.5Å
837	F	97.1	Very high	94.3	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	154.7	175.8	-69.8	-89.6	0	0	0	111.3	R791 V793 L813 A819 V820 C835 R839 I841 A847	R791-F837 WeakPolarHBondContact CB-O 3.3Å; R791-F837 PolarHBondContact O-N 3.47Å; V793-F837 HydrophobicContact CB-CD2 4.37Å; V793-F837 HydrophobicContact CB-CE2 4.31Å; V793-F837 HydrophobicContact CG2-CD2 4.2Å; L813-F837 HydrophobicContact CB-CE1 4.19Å; L813-F837 HydrophobicContact CB-CZ 4.33Å; L813-F837 HydrophobicContact CD1-CZ 4.38Å; A819-F837 HydrophobicContact CB-CB 4.49Å; A819-F837 HydrophobicContact CB-CD1 4.05Å; V820-F837 CarbonylContact O-C 3.41Å; V820-F837 WeakPolarHBondContact O-CA 3.33Å; C835-F837 HydrophobicContact CB-CD2 4.49Å; C835-F837 HydrophobicContact CB-CE2 3.93Å; F837-R839 VanDerWaalsContact C-N 3.27Å; F837-R839 VanDerWaalsContact CB-O 3.29Å; F837-R839 WeakPolarHBondContact CB-O 3.36Å; F837-R839 PolarHBondContact O-N 3.48Å; F837-I841 HydrophobicContact CB-CG2 4.39Å; F837-I841 HydrophobicContact CD1-CG2 4.28Å; F837-I841 HydrophobicContact CD2-CD1 3.96Å; F837-I841 HydrophobicContact CD2-CG1 4.32Å; F837-I841 HydrophobicContact CD2-CG2 4.46Å; F837-I841 HydrophobicContact CE2-CD1 3.67Å; F837-I841 HydrophobicContact CG-CG2 4.13Å; F837-I841 HydrophobicContact CZ-CD1 4.11Å; F837-A847 HydrophobicContact CZ-CB 4.12Å
838	D	95.8	Very high	94.3	Very high	80 Å²	80	54.9 Å²	54.9	43%	0.428	31%	0.311	S	S	.	.	S	Bend	trans	-61.9	-34.2	175.2	63.5	-22.3	0	0	0	112.8	R791 A819 V820	R791-D838 PolarHBondContact NE-O 3.44Å; A819-D838 WeakPolarHBondContact CA-OD1 3.48Å; A819-D838 WeakPolarHBondContact CB-OD1 3.42Å; V820-D838 PolarHBondContact N-OD1 3.01Å; V820-D838 PolarHBondContact O-N 2.94Å
839	R	95	Very high	94.4	Very high	114 Å²	114	52 Å²	52	43%	0.43	28%	0.281	S	S	.	.	S	Bend	trans	-129.9	154.7	174.4	59.3	-175.7	140.9	160.3	-2.1	111.7	S817 G818 A819 F837 I841	S817-R839 PolarHBondContact O-NH1 3.43Å; S817-R839 PolarHBondContact O-NH2 2.98Å; G818-R839 PolarHBondContact O-NH2 3.05Å; A819-R839 HydrophobicContact CB-CG 3.5Å; A819-R839 VanDerWaalsContact CB-CG 3.5Å; F837-R839 VanDerWaalsContact C-N 3.27Å; F837-R839 VanDerWaalsContact CB-O 3.29Å; F837-R839 WeakPolarHBondContact CB-O 3.36Å; F837-R839 PolarHBondContact O-N 3.48Å; R839-I841 PolarHBondContact O-N 3.06Å
840	P	94	Very high	94.6	Very high	82 Å²	82	47.2 Å²	47.2	53%	0.532	25%	0.252	S	S	.	.			trans	-57.2	135.5	170.6	-22.2	33.7	0	0	0	111.3	Q790	Q790-P840 WeakPolarHBondContact O-CA 3.45Å; Q790-P840 WeakPolarHBondContact O-CB 3.46Å
841	I	94.3	Very high	94.8	Very high	9 Å²	9	41 Å²	41	5%	0.046	22%	0.223	C	C	.	.			trans	-105.1	157.5	175.9	59.5	165.5	0	0	0	110.9	P785 V793 A819 F837 R839 D845	P785-I841 HydrophobicContact CB-CD1 4.43Å; V793-I841 HydrophobicContact CB-CD1 4.32Å; V793-I841 HydrophobicContact CG1-CD1 4.1Å; V793-I841 HydrophobicContact CG2-CD1 3.95Å; V793-I841 HydrophobicContact CG2-CG1 3.7Å; A819-I841 HydrophobicContact CB-CG2 3.52Å; F837-I841 HydrophobicContact CB-CG2 4.39Å; F837-I841 HydrophobicContact CD1-CG2 4.28Å; F837-I841 HydrophobicContact CD2-CD1 3.96Å; F837-I841 HydrophobicContact CD2-CG1 4.32Å; F837-I841 HydrophobicContact CD2-CG2 4.46Å; F837-I841 HydrophobicContact CE2-CD1 3.67Å; F837-I841 HydrophobicContact CG-CG2 4.13Å; F837-I841 HydrophobicContact CZ-CD1 4.11Å; R839-I841 PolarHBondContact O-N 3.06Å; I841-D845 HydrophobicContact CB-CB 4.34Å
842	L	92.6	Very high	94.9	Very high	128 Å²	128	41.3 Å²	41.3	67%	0.67	22%	0.223	S	C	*	.			trans	-81	158.2	-179.8	-60.9	174.9	0	0	0	111.4	N844 D845	L842-N844 VanDerWaalsContact C-N 3.26Å; L842-N844 PolarHBondContact O-N 3.24Å; L842-D845 HydrophobicContact CB-CB 4.3Å; L842-D845 WeakPolarHBondContact O-CB 3.35Å; L842-D845 PolarHBondContact O-N 2.87Å; L842-D845 VanDerWaalsContact O-N 3.13Å
843	A	91.8	Very high	94.8	Very high	71 Å²	71	42 Å²	42	59%	0.587	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.5	175.7	0	0	0	0	0	113.5	P785 I788 D845	P785-A843 VanDerWaalsContact CG-O 3.29Å; P785-A843 WeakPolarHBondContact CG-O 3.36Å; I788-A843 HydrophobicContact CD1-CB 4.08Å; A843-D845 VanDerWaalsContact C-N 3.33Å
844	N	92.6	Very high	94.6	Very high	162 Å²	162	43 Å²	43	87%	0.866	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	3.3	175.9	-62.6	-2.7	0	0	0	112.6	L842	L842-N844 VanDerWaalsContact C-N 3.26Å; L842-N844 PolarHBondContact O-N 3.24Å
845	D	93.5	Very high	94.3	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.059	22%	0.221	C	C	.	.			trans	-74.8	158.7	176.6	-154.8	-7.8	0	0	0	110.1	P785 S815 K816 S817 I841 L842 A843	P785-D845 WeakPolarHBondContact CD-O 3.35Å; P785-D845 WeakPolarHBondContact CG-O 2.92Å; S815-D845 VanDerWaalsContact CB-OD2 3.23Å; S815-D845 WeakPolarHBondContact CB-OD2 3.19Å; S815-D845 PolarHBondContact OG-OD2 3.32Å; S815-D845 VanDerWaalsContact OG-OD2 3.11Å; K816-D845 WeakPolarHBondContact CB-OD1 3.22Å; K816-D845 PolarHBondContact N-OD1 3.41Å; K816-D845 VanDerWaalsContact N-OD1 3.07Å; S817-D845 VanDerWaalsContact CB-OD2 3.3Å; S817-D845 WeakPolarHBondContact CB-OD2 3.29Å; S817-D845 PolarHBondContact N-OD1 3.48Å; S817-D845 PolarHBondContact OG-OD2 3.47Å; I841-D845 HydrophobicContact CB-CB 4.34Å; L842-D845 HydrophobicContact CB-CB 4.3Å; L842-D845 WeakPolarHBondContact O-CB 3.35Å; L842-D845 PolarHBondContact O-N 2.87Å; L842-D845 VanDerWaalsContact O-N 3.13Å; A843-D845 VanDerWaalsContact C-N 3.33Å
846	V	93.1	Very high	94	Very high	24 Å²	24	42.7 Å²	42.7	15%	0.145	23%	0.229	C	C	.	.			trans	-116.8	126.9	176.7	-177.3	0	0	0	0	107.9	S815 K816 L848	S815-V846 CarbonylContact C-O 3.54Å; S815-V846 VanDerWaalsContact CA-O 3.27Å; S815-V846 WeakPolarHBondContact CA-O 3.28Å; K816-V846 PolarHBondContact N-O 3.46Å; V846-L848 HydrophobicContact CG1-CD2 3.8Å; V846-L848 HydrophobicContact CG1-CG 4.4Å
847	A	94.7	Very high	93.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.5	170.6	0	0	0	0	0	108.6	S782 G783 V795 M798 F837	S782-A847 CarbonylContact C-O 3.55Å; G783-A847 PolarHBondContact N-O 3.38Å; G783-A847 PolarHBondContact O-N 3.06Å; V795-A847 HydrophobicContact CG1-CB 4.05Å; V795-A847 HydrophobicContact CG2-CB 4.02Å; M798-A847 HydrophobicContact CE-CB 4.25Å; M798-A847 WeakPolarHBondContact CE-O 3.47Å; F837-A847 HydrophobicContact CZ-CB 4.12Å
848	L	94.9	Very high	93.1	Very high	16 Å²	16	43.2 Å²	43.2	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.7	-177.9	-57.5	170.9	0	0	0	109.2	F780 L781 L813 Q814 V846	F780-L848 HydrophobicContact CB-CB 4.31Å; F780-L848 HydrophobicContact CB-CD2 4.13Å; F780-L848 HydrophobicContact CD1-CB 3.91Å; F780-L848 HydrophobicContact CD1-CD1 4.5Å; F780-L848 HydrophobicContact CG-CB 4.35Å; L781-L848 CarbonylContact O-C 3.49Å; L781-L848 WeakPolarHBondContact O-CA 3.23Å; L813-L848 WeakPolarHBondContact CA-O 3.21Å; Q814-L848 PolarHBondContact N-O 3.33Å; Q814-L848 WeakPolarHBondContact O-CA 3.41Å; Q814-L848 WeakPolarHBondContact O-CB 3.33Å; Q814-L848 PolarHBondContact O-N 3.01Å; Q814-L848 VanDerWaalsContact O-O 3.07Å; V846-L848 HydrophobicContact CG1-CD2 3.8Å; V846-L848 HydrophobicContact CG1-CG 4.4Å
849	M	95.3	Very high	92.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	106.9	171.6	-171.6	-178.8	60.5	0	0	110	F780 L781 M798 F799 F808 V811 L813 L851	F780-M849 WeakPolarHBondContact CA-O 3.44Å; L781-M849 HydrophobicContact CB-CB 4.35Å; L781-M849 HydrophobicContact CB-CE 4.14Å; L781-M849 HydrophobicContact CD1-CE 3.39Å; L781-M849 HydrophobicContact CG-CE 3.88Å; L781-M849 PolarHBondContact N-O 3.34Å; L781-M849 PolarHBondContact O-N 3.37Å; M798-M849 HydrophobicContact CE-CB 4.22Å; M798-M849 HydrophobicContact SD-CB 3.74Å; F799-M849 HydrophobicContact CE1-CE 4.14Å; F799-M849 HydrophobicContact CE2-CE 4.4Å; F799-M849 HydrophobicContact CZ-CE 3.46Å; F799-M849 VanDerWaalsContact CZ-CE 3.46Å; F799-M849 HydrophobicContact CZ-SD 4.05Å; F808-M849 HydrophobicContact CB-CE 4.19Å; F808-M849 HydrophobicContact CB-SD 3.78Å; F808-M849 HydrophobicContact CD1-CE 3.96Å; F808-M849 HydrophobicContact CD1-SD 4.25Å; F808-M849 HydrophobicContact CG-CE 3.97Å; F808-M849 HydrophobicContact CG-SD 4.18Å; V811-M849 HydrophobicContact CB-CG 4.15Å; V811-M849 HydrophobicContact CB-SD 3.82Å; V811-M849 HydrophobicContact CG1-CG 3.53Å; V811-M849 HydrophobicContact CG1-SD 3.85Å; V811-M849 HydrophobicContact CG2-SD 4.38Å; L813-M849 HydrophobicContact CD2-CB 3.61Å; L813-M849 HydrophobicContact CD2-CG 3.85Å; L813-M849 HydrophobicContact CD2-SD 4.45Å; M849-L851 HydrophobicContact CE-CD1 3.8Å; M849-L851 HydrophobicContact CE-CD2 4.16Å; M849-L851 HydrophobicContact CE-CG 3.95Å; M849-L851 PolarHBondContact O-N 3.42Å
850	P	94.8	Very high	92.1	Very high	3 Å²	3	39 Å²	39	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	124.7	177.2	26.8	-32.2	0	0	0	111.7	I779 F780 Q812 Y852	I779-P850 WeakPolarHBondContact O-CA 3.33Å; F780-P850 HydrophobicContact CD1-CB 3.99Å; F780-P850 HydrophobicContact CE1-CB 3.76Å; Q812-P850 WeakPolarHBondContact O-CD 3.48Å; P850-Y852 HydrophobicContact CB-CE2 3.95Å
851	L	95.2	Very high	92	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.2	172.3	-67.6	-178.9	0	0	0	110.3	F464 Y467 R778 I779 L781 F808 V811 M849	F464-L851 HydrophobicContact CB-CD1 4.12Å; F464-L851 HydrophobicContact CG-CD1 4.25Å; Y467-L851 HydrophobicContact CD1-CB 4.11Å; Y467-L851 HydrophobicContact CG-CB 4.37Å; R778-L851 CarbonylContact C-O 3.5Å; R778-L851 WeakPolarHBondContact CA-O 3.49Å; I779-L851 HydrophobicContact CD1-CB 4.14Å; I779-L851 HydrophobicContact CD1-CD1 4.42Å; I779-L851 HydrophobicContact CG1-CB 3.7Å; I779-L851 PolarHBondContact N-O 3.07Å; I779-L851 PolarHBondContact O-N 3.07Å; L781-L851 HydrophobicContact CD1-CD1 3.78Å; L781-L851 HydrophobicContact CG-CD1 4Å; F808-L851 HydrophobicContact CD1-CD2 4.2Å; F808-L851 HydrophobicContact CE1-CD1 3.98Å; F808-L851 HydrophobicContact CE1-CD2 4.1Å; F808-L851 HydrophobicContact CZ-CD1 4.47Å; V811-L851 HydrophobicContact CG1-CD2 4.33Å; V811-L851 HydrophobicContact CG2-CD2 4.43Å; M849-L851 HydrophobicContact CE-CD1 3.8Å; M849-L851 HydrophobicContact CE-CD2 4.16Å; M849-L851 HydrophobicContact CE-CG 3.95Å; M849-L851 PolarHBondContact O-N 3.42Å
852	Y	95	Very high	91.8	Very high	9 Å²	9	37.4 Å²	37.4	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.5	-171.9	-59.2	-82.1	0	0	0	112.2	Y467 C468 L470 F473 I776 K777 R778 P850	Y467-Y852 CarbonylContact C-O 3.58Å; Y467-Y852 WeakPolarHBondContact CA-O 3.24Å; C468-Y852 PolarHBondContact N-O 3.48Å; C468-Y852 WeakPolarHBondContact O-CD2 3.35Å; C468-Y852 PolarHBondContact O-N 2.91Å; C468-Y852 PolarHBondContact SG-O 2.94Å; L470-Y852 HydrophobicContact CB-CD2 3.66Å; L470-Y852 HydrophobicContact CB-CE2 3.68Å; L470-Y852 HydrophobicContact CD1-CD1 4.43Å; L470-Y852 HydrophobicContact CD1-CD2 3.72Å; L470-Y852 HydrophobicContact CD1-CE2 4.25Å; L470-Y852 HydrophobicContact CD1-CG 3.81Å; L470-Y852 HydrophobicContact CG-CD2 3.67Å; L470-Y852 HydrophobicContact CG-CE2 4.2Å; L470-Y852 HydrophobicContact CG-CG 4.21Å; F473-Y852 HydrophobicContact CB-CE1 4.1Å; F473-Y852 AromaticContact CD2-CD1 3.56Å; F473-Y852 HydrophobicContact CD2-CD1 3.56Å; F473-Y852 AromaticContact CD2-CE1 3.26Å; F473-Y852 HydrophobicContact CD2-CE1 3.26Å; F473-Y852 AromaticContact CE2-CD1 3.88Å; F473-Y852 HydrophobicContact CE2-CD1 3.88Å; F473-Y852 AromaticContact CE2-CE1 3.96Å; F473-Y852 HydrophobicContact CE2-CE1 3.96Å; F473-Y852 AromaticContact CG-CE1 3.96Å; F473-Y852 HydrophobicContact CG-CE1 3.96Å; I776-Y852 HydrophobicContact CG2-CD1 3.97Å; I776-Y852 HydrophobicContact CG2-CG 4.32Å; K777-Y852 CarbonylContact O-C 3.57Å; K777-Y852 VanDerWaalsContact O-CA 3.3Å; K777-Y852 WeakPolarHBondContact O-CA 3.48Å; R778-Y852 HydrophobicContact CB-CD1 3.97Å; R778-Y852 HydrophobicContact CB-CE1 3.85Å; R778-Y852 HydrophobicContact CG-CD1 4.06Å; R778-Y852 HydrophobicContact CG-CE1 3.55Å; P850-Y852 HydrophobicContact CB-CE2 3.95Å
853	K	93	Very high	91.7	Very high	60 Å²	60	32 Å²	32	26%	0.261	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.8	177.1	172.3	179.7	174.8	-174.7	0	110.7	K466 Y467 I776 K777 V855	K466-K853 HydrophobicContact CB-CD 4.12Å; Y467-K853 HydrophobicContact CD1-CB 3.47Å; Y467-K853 VanDerWaalsContact CD1-CB 3.47Å; Y467-K853 HydrophobicContact CD2-CB 4.34Å; Y467-K853 HydrophobicContact CD2-CD 4.31Å; Y467-K853 HydrophobicContact CE1-CB 3.41Å; Y467-K853 VanDerWaalsContact CE1-CB 3.41Å; Y467-K853 HydrophobicContact CE1-CD 4.21Å; Y467-K853 HydrophobicContact CE1-CG 4.46Å; Y467-K853 HydrophobicContact CE2-CB 4.33Å; Y467-K853 HydrophobicContact CE2-CD 3.84Å; Y467-K853 HydrophobicContact CG-CB 3.94Å; I776-K853 CarbonylContact C-O 3.46Å; I776-K853 WeakPolarHBondContact CA-O 3.37Å; K777-K853 PolarHBondContact N-O 2.74Å; K777-K853 PolarHBondContact O-N 2.83Å; K853-V855 PolarHBondContact O-N 3.41Å
854	R	92.5	Very high	91.7	Very high	22 Å²	22	29.5 Å²	29.5	8%	0.083	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	129.9	171.7	-175.1	170.7	178.6	166.2	4.7	109.8	W478 N483 I775 F856	W478-R854 HydrophobicContact CH2-CB 4.33Å; W478-R854 HydrophobicContact CZ2-CB 3.63Å; N483-R854 PolarHBondContact OD1-NH1 2.9Å; I775-R854 WeakPolarHBondContact O-CA 3.39Å; R854-F856 HydrophobicContact CB-CE2 4.43Å; R854-F856 HydrophobicContact CG-CD2 4.35Å; R854-F856 HydrophobicContact CG-CE1 4.38Å; R854-F856 HydrophobicContact CG-CE2 3.84Å; R854-F856 HydrophobicContact CG-CZ 3.88Å
855	V	92.3	Very high	91.6	Very high	15 Å²	15	21.9 Å²	21.9	9%	0.091	10%	0.101	C	C	.	.			trans	-109.3	132.1	175.5	-177.8	0	0	0	0	108.3	I698 F711 I775 K777 K853	I698-V855 HydrophobicContact CD1-CG1 4.2Å; F711-V855 HydrophobicContact CB-CG2 4.27Å; F711-V855 HydrophobicContact CD2-CB 4.28Å; F711-V855 HydrophobicContact CD2-CG1 3.94Å; F711-V855 HydrophobicContact CD2-CG2 4.29Å; F711-V855 HydrophobicContact CE2-CG1 4.09Å; F711-V855 HydrophobicContact CG-CG2 4.1Å; I775-V855 HydrophobicContact CG2-CB 4.35Å; I775-V855 PolarHBondContact O-N 3.48Å; K777-V855 HydrophobicContact CB-CG2 3.6Å; K853-V855 PolarHBondContact O-N 3.41Å
856	F	90.4	Very high	91.1	Very high	37 Å²	37	22 Å²	22	16%	0.162	10%	0.102	C	C	.	.			trans	-108.3	148.1	173.4	-64	-84.3	0	0	0	109.1	W484 L485 P486 Y489 R854	W484-F856 WeakPolarHBondContact O-CE2 3.35Å; L485-F856 HydrophobicContact CD2-CE1 4.1Å; L485-F856 HydrophobicContact CD2-CZ 4.39Å; P486-F856 HydrophobicContact CG-CB 3.98Å; P486-F856 HydrophobicContact CG-CD1 4.12Å; P486-F856 HydrophobicContact CG-CD2 3.87Å; P486-F856 HydrophobicContact CG-CE2 4.33Å; P486-F856 HydrophobicContact CG-CG 3.74Å; Y489-F856 HydrophobicContact CD2-CD1 4.27Å; Y489-F856 HydrophobicContact CE1-CD1 4.19Å; Y489-F856 HydrophobicContact CE1-CE1 4.3Å; Y489-F856 HydrophobicContact CE2-CB 4.16Å; Y489-F856 AromaticContact CE2-CD1 3.47Å; Y489-F856 HydrophobicContact CE2-CD1 3.47Å; Y489-F856 VanDerWaalsContact CE2-CD1 3.47Å; Y489-F856 HydrophobicContact CE2-CE1 4.15Å; Y489-F856 HydrophobicContact CE2-CG 4.16Å; Y489-F856 AromaticContact CZ-CD1 3.47Å; Y489-F856 VanDerWaalsContact CZ-CD1 3.47Å; Y489-F856 WeakPolarHBondContact OH-CD1 3.45Å; R854-F856 HydrophobicContact CB-CE2 4.43Å; R854-F856 HydrophobicContact CG-CD2 4.35Å; R854-F856 HydrophobicContact CG-CE1 4.38Å; R854-F856 HydrophobicContact CG-CE2 3.84Å; R854-F856 HydrophobicContact CG-CZ 3.88Å
857	P	90.8	Very high	90.4	Very high	7 Å²	7	25.2 Å²	25.2	5%	0.045	12%	0.115	C	C	.	.			trans	-59	154	169.1	24.9	-31.4	0	0	0	109.9	Y489 V588 I698 T725 Y727	Y489-P857 WeakPolarHBondContact OH-CD 3.25Å; V588-P857 HydrophobicContact CG1-CG 4.24Å; V588-P857 HydrophobicContact CG2-CG 4.33Å; I698-P857 HydrophobicContact CD1-CB 4.13Å; I698-P857 HydrophobicContact CG1-CB 4.3Å; T725-P857 HydrophobicContact CG2-CB 4.46Å; T725-P857 HydrophobicContact CG2-CG 4.19Å; Y727-P857 HydrophobicContact CD2-CB 3.94Å; Y727-P857 HydrophobicContact CD2-CG 3.86Å; Y727-P857 HydrophobicContact CE2-CB 3.98Å; Y727-P857 HydrophobicContact CE2-CG 3.64Å; Y727-P857 VanDerWaalsContact CE2-O 3.29Å; Y727-P857 WeakPolarHBondContact CE2-O 3.31Å
858	K	83.2	Confident	89.8	Confident	56 Å²	56	26 Å²	26	24%	0.243	12%	0.118	C	C	.	.			trans	-75.8	140.6	171.2	-71	-173.7	171.4	-179.6	0	109	I415 K681 A696 Y727 V860	I415-K858 HydrophobicContact CD1-CD 4.37Å; I415-K858 HydrophobicContact CG2-CD 4.48Å; K681-K858 HydrophobicContact CB-CD 4.16Å; A696-K858 HydrophobicContact CB-CB 4.29Å; A696-K858 HydrophobicContact CB-CD 4.37Å; Y727-K858 WeakPolarHBondContact CD2-O 3.47Å; K858-V860 HydrophobicContact CB-CG2 3.97Å; K858-V860 PolarHBondContact O-N 2.99Å
859	Y	85.5	Confident	89	Confident	100 Å²	100	27.2 Å²	27.2	39%	0.392	12%	0.124	S	C	.	.			trans	-74.1	73.2	178	-170.9	-107.1	0	0	0	110.7	H488 Y727	H488-Y859 HydrophobicContact CB-CD1 4.45Å; H488-Y859 HydrophobicContact CB-CD2 3.76Å; H488-Y859 HydrophobicContact CB-CE2 4.06Å; H488-Y859 HydrophobicContact CB-CG 3.98Å; H488-Y859 AromaticContact CD2-CG 3.98Å; H488-Y859 AromaticContact CE1-CD1 3.94Å; H488-Y859 AromaticContact CG-CD1 3.86Å; H488-Y859 AromaticContact CG-CG 3.77Å; H488-Y859 AromaticContact ND1-CD1 3.76Å; H488-Y859 AromaticContact ND1-CE1 3.79Å; Y727-Y859 AromaticContact CD1-CD2 3.88Å; Y727-Y859 HydrophobicContact CD1-CD2 3.88Å; Y727-Y859 HydrophobicContact CD1-CE2 4.29Å; Y727-Y859 HydrophobicContact CD2-CD2 4.21Å; Y727-Y859 AromaticContact CE1-CD2 3.89Å; Y727-Y859 HydrophobicContact CE1-CD2 3.89Å; Y727-Y859 HydrophobicContact CE1-CE2 4.47Å; Y727-Y859 HydrophobicContact CE2-CD2 4.16Å; Y727-Y859 AromaticContact CG-CD2 4Å; Y727-Y859 HydrophobicContact CG-CD2 4Å; Y727-Y859 AromaticContact CZ-CD2 3.98Å
860	V	85.9	Confident	87.5	Confident	6 Å²	6	29.9 Å²	29.9	4%	0.036	15%	0.146	C	C	.	.			trans	-126.8	115.5	-179.9	-177	0	0	0	0	107.8	I415 L683 A696 K858	I415-V860 HydrophobicContact CD1-CG2 3.97Å; I415-V860 HydrophobicContact CG2-CG2 4.33Å; L683-V860 HydrophobicContact CD2-CG1 3.78Å; A696-V860 HydrophobicContact CB-CB 4.27Å; A696-V860 HydrophobicContact CB-CG2 4.2Å; K858-V860 HydrophobicContact CB-CG2 3.97Å; K858-V860 PolarHBondContact O-N 2.99Å
861	Y	90.1	Very high	85.3	Confident	41 Å²	41	35.9 Å²	35.9	16%	0.161	18%	0.178	C	C	.	.			trans	-149.1	103.3	173.2	174.1	-99.5	0	0	0	108.1	M586 F693 A728 P729 P863	M586-Y861 HydrophobicContact CE-CD1 3.54Å; M586-Y861 HydrophobicContact CE-CD2 4.43Å; M586-Y861 HydrophobicContact CE-CE1 3.97Å; M586-Y861 HydrophobicContact CE-CG 3.8Å; F693-Y861 HydrophobicContact CB-CD2 4.09Å; F693-Y861 HydrophobicContact CB-CE2 3.63Å; F693-Y861 AromaticContact CD1-CE2 3.76Å; F693-Y861 HydrophobicContact CD1-CE2 3.76Å; F693-Y861 AromaticContact CD2-CD2 3.6Å; F693-Y861 HydrophobicContact CD2-CD2 3.6Å; F693-Y861 AromaticContact CD2-CE2 3.67Å; F693-Y861 HydrophobicContact CD2-CE2 3.67Å; F693-Y861 HydrophobicContact CE1-CE2 4.31Å; F693-Y861 HydrophobicContact CE2-CD2 4.11Å; F693-Y861 HydrophobicContact CE2-CE2 4.22Å; F693-Y861 AromaticContact CG-CD2 3.83Å; F693-Y861 HydrophobicContact CG-CD2 3.83Å; F693-Y861 AromaticContact CG-CE2 3.41Å; F693-Y861 HydrophobicContact CG-CE2 3.41Å; F693-Y861 VanDerWaalsContact CG-CE2 3.41Å; A728-Y861 HydrophobicContact CB-CD2 4.44Å; A728-Y861 HydrophobicContact CB-CE2 4.5Å; P729-Y861 VanDerWaalsContact CD-CZ 3.43Å; P729-Y861 HydrophobicContact CG-CE1 4.13Å; P729-Y861 HydrophobicContact CG-CE2 4.08Å; P729-Y861 WeakPolarHBondContact CG-OH 3.37Å; Y861-P863 HydrophobicContact CE1-CB 4.05Å; Y861-P863 HydrophobicContact CE1-CG 4.07Å
862	E	90.2	Very high	82.6	Confident	17 Å²	17	41 Å²	41	8%	0.079	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-113.6	106.7	177.7	-179.6	177.2	-151.1	0	0	109.7	Y412 F693 V694 V864 Y868	Y412-E862 WeakPolarHBondContact OH-CB 3.4Å; Y412-E862 WeakPolarHBondContact OH-CG 3.43Å; Y412-E862 PolarHBondContact OH-OE1 2.89Å; Y412-E862 VanDerWaalsContact OH-OE1 3.09Å; Y412-E862 PolarHBondContact OH-OE2 3.38Å; F693-E862 CarbonylContact C-O 3.57Å; F693-E862 WeakPolarHBondContact CA-O 3.28Å; F693-E862 VanDerWaalsContact CB-O 3.25Å; F693-E862 WeakPolarHBondContact CB-O 3.4Å; V694-E862 HydrophobicContact CB-CB 4.19Å; V694-E862 PolarHBondContact N-O 2.9Å; V694-E862 PolarHBondContact O-N 3.48Å; E862-V864 WeakPolarHBondContact CG-O 3.36Å; E862-Y868 VanDerWaalsContact OE2-CE2 3.25Å; E862-Y868 WeakPolarHBondContact OE2-CE2 3.32Å; E862-Y868 PolarHBondContact OE2-OH 3.18Å
863	P	91.9	Very high	79.6	Confident	15 Å²	15	45.2 Å²	45.2	10%	0.097	23%	0.228	C	C	.	.			trans	-78.4	-20.1	-179.7	30.7	-34.1	0	0	0	113.5	G315 W316 Y861 V865	G315-P863 CarbonylContact C-O 3.57Å; W316-P863 PolarHBondContact N-O 3.27Å; Y861-P863 HydrophobicContact CE1-CB 4.05Å; Y861-P863 HydrophobicContact CE1-CG 4.07Å; P863-V865 PolarHBondContact O-N 3.29Å
864	V	91.1	Very high	76.7	Confident	18 Å²	18	52.2 Å²	52.2	11%	0.109	25%	0.253	C	S	.	.			trans	-89.1	102.1	-179.6	-178	0	0	0	0	109.1	G315 W316 L547 E862	G315-V864 WeakPolarHBondContact O-CA 3.45Å; W316-V864 HydrophobicContact CE3-CG1 3.87Å; W316-V864 HydrophobicContact CZ3-CG1 3.96Å; W316-V864 WeakPolarHBondContact O-CG2 3.4Å; L547-V864 HydrophobicContact CD1-CG1 4.09Å; L547-V864 HydrophobicContact CD1-CG2 3.72Å; E862-V864 WeakPolarHBondContact CG-O 3.36Å
865	V	89.5	Confident	73.8	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	28%	0.278	C	S	.	.			trans	-105.6	-3.8	-171.2	-53.8	0	0	0	0	114.1	G315 L685 R692 V694 P863 K867 Y868 L869	G315-V865 PolarHBondContact O-N 3.06Å; G315-V865 VanDerWaalsContact O-N 3.1Å; L685-V865 HydrophobicContact CD1-CB 3.78Å; L685-V865 HydrophobicContact CD1-CG1 3.56Å; L685-V865 HydrophobicContact CD1-CG2 4.34Å; R692-V865 HydrophobicContact CG-CG1 4.29Å; R692-V865 HydrophobicContact CG-CG2 3.98Å; V694-V865 HydrophobicContact CG2-CG1 4.21Å; P863-V865 PolarHBondContact O-N 3.29Å; V865-K867 PolarHBondContact O-N 3.42Å; V865-K867 VanDerWaalsContact O-N 3.17Å; V865-Y868 PolarHBondContact O-N 3.32Å; V865-L869 HydrophobicContact CG2-CD1 4.04Å
866	S	84	Confident	70.8	Confident	13 Å²	13	61.4 Å²	61.4	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-54.8	-35.2	-174.8	46.4	0	0	0	0	113.6	W316 Y868 L869 A870	W316-S866 WeakPolarHBondContact CH2-OG 3.49Å; S866-Y868 PolarHBondContact O-N 2.89Å; S866-L869 PolarHBondContact O-N 3.18Å; S866-A870 PolarHBondContact O-N 3.31Å
867	K	78.4	Confident	67.8	Low	93 Å²	93	67.1 Å²	67.1	40%	0.404	34%	0.342	S	S	.	.	H	α-helix	trans	-59.8	-28.9	176.5	-61.9	177.3	-173.1	163.7	0	113.6	V865	V865-K867 PolarHBondContact O-N 3.42Å; V865-K867 VanDerWaalsContact O-N 3.17Å
868	Y	81.6	Confident	64.9	Low	17 Å²	17	74.3 Å²	74.3	7%	0.067	38%	0.375	C	S	.	.	H	α-helix	trans	-87.6	-14.6	178	-56.1	-86.4	0	0	0	113	V694 I742 P755 Y756 V757 E862 V865 S866	V694-Y868 HydrophobicContact CB-CE2 4.4Å; V694-Y868 HydrophobicContact CG2-CD2 3.83Å; V694-Y868 HydrophobicContact CG2-CE2 3.63Å; V694-Y868 HydrophobicContact CG2-CG 4.46Å; I742-Y868 HydrophobicContact CD1-CD1 4.15Å; I742-Y868 HydrophobicContact CD1-CE1 4.07Å; I742-Y868 HydrophobicContact CG2-CD1 4Å; I742-Y868 HydrophobicContact CG2-CE1 4.13Å; P755-Y868 HydrophobicContact CB-CD1 3.79Å; P755-Y868 HydrophobicContact CB-CE1 3.68Å; P755-Y868 HydrophobicContact CG-CD1 3.86Å; P755-Y868 HydrophobicContact CG-CE1 3.52Å; P755-Y868 WeakPolarHBondContact O-CA 3.32Å; P755-Y868 WeakPolarHBondContact O-CD1 3.25Å; Y756-Y868 CarbonylContact C-O 3.53Å; Y756-Y868 WeakPolarHBondContact CA-O 3.39Å; V757-Y868 PolarHBondContact N-O 2.99Å; E862-Y868 VanDerWaalsContact OE2-CE2 3.25Å; E862-Y868 WeakPolarHBondContact OE2-CE2 3.32Å; E862-Y868 PolarHBondContact OE2-OH 3.18Å; V865-Y868 PolarHBondContact O-N 3.32Å; S866-Y868 PolarHBondContact O-N 2.89Å
869	L	77.8	Confident	62.3	Low	41 Å²	41	77.2 Å²	77.2	22%	0.215	40%	0.397	C	S	.	.	H	α-helix	trans	-95.1	-16.5	-176.6	-60.5	-177.1	0	0	0	113.2	F137 V757 V865 S866 N871	F137-L869 HydrophobicContact CD2-CD1 4.28Å; F137-L869 HydrophobicContact CD2-CD2 3.31Å; F137-L869 HydrophobicContact CD2-CG 4.43Å; F137-L869 HydrophobicContact CE2-CD2 3.29Å; F137-L869 HydrophobicContact CG-CD2 4.22Å; F137-L869 HydrophobicContact CZ-CD2 4.21Å; V757-L869 HydrophobicContact CB-CD2 4.31Å; V757-L869 HydrophobicContact CG2-CD2 3.71Å; V865-L869 HydrophobicContact CG2-CD1 4.04Å; S866-L869 PolarHBondContact O-N 3.18Å; L869-N871 PolarHBondContact O-N 2.95Å
870	A	65.4	Low	59.5	Low	55 Å²	55	75.5 Å²	75.5	46%	0.455	40%	0.397	S	S	.	.	S	Bend	trans	-72.3	109.2	178	0	0	0	0	0	110.3	S866 N872	S866-A870 PolarHBondContact O-N 3.31Å; A870-N872 PolarHBondContact O-N 3.24Å
871	N	48.2	Very low	56.6	Low	129 Å²	129	81 Å²	81	69%	0.69	43%	0.431	S	S	*	.			trans	-69.1	111	175.2	-82.1	-20.7	0	0	0	111	L869 D873	L869-N871 PolarHBondContact O-N 2.95Å; N871-D873 PolarHBondContact O-N 2.73Å
872	N	37.2	Very low	53.8	Low	108 Å²	108	84 Å²	84	58%	0.578	45%	0.449	S	S	*	.	S	Bend	trans	49.3	12.1	152.4	-73.7	-1.2	0	0	0	120.7	A870 R874	A870-N872 PolarHBondContact O-N 3.24Å; N872-R874 PolarHBondContact O-N 3.11Å; N872-R874 VanDerWaalsContact O-N 3.16Å
873	D	33.2	Very low	50.8	Low	98 Å²	98	87.5 Å²	87.5	52%	0.524	48%	0.476	S	S	.	.			trans	-80.7	100.7	169.9	-71.5	-22.5	0	0	0	108.8	N871 S875	N871-D873 PolarHBondContact O-N 2.73Å; D873-S875 PolarHBondContact O-N 3.42Å
874	R	31.1	Very low	47.7	Very low	208 Å²	208	90.5 Å²	90.5	79%	0.785	51%	0.509	S	S	*	.			trans	-63.1	31.1	176.9	-71.2	-171.4	178.3	-170.3	-0.6	114.5	D747 N872	D747-R874 VanDerWaalsContact CG-NH2 3.26Å; D747-R874 IonicContact OD1-NH2 3.56Å; D747-R874 PolarHBondContact OD1-NH2 2.72Å; D747-R874 IonicContact OD2-CZ 2.87Å; D747-R874 IonicContact OD2-NH1 3.5Å; D747-R874 IonicContact OD2-NH2 3.7Å; D747-R874 PolarHBondContact OD2-NH2 2.81Å; N872-R874 PolarHBondContact O-N 3.11Å; N872-R874 VanDerWaalsContact O-N 3.16Å
875	S	31.2	Very low	44.7	Very low	86 Å²	86	96.5 Å²	96.5	60%	0.601	54%	0.536	S	S	*	.			trans	-129.8	79.7	179.8	62.2	0	0	0	0	109.9	D873	D873-S875 PolarHBondContact O-N 3.42Å
876	N	29.7	Very low	42	Very low	143 Å²	143	100.3 Å²	100.3	77%	0.765	55%	0.553	S	S	*	*			trans	166.5	84.4	137.4	-81.4	-18.7	0	0	0	108.9	H878	N876-H878 PolarHBondContact O-N 2.94Å
877	D	27.8	Very low	39.1	Very low	158 Å²	158	110.8 Å²	110.8	85%	0.845	59%	0.59	S	S	*	*			trans	-69.1	84.6	163.3	-103.5	-14.5	0	0	0	109.4
878	H	29.5	Very low	37	Very low	158 Å²	158	108.1 Å²	108.1	73%	0.731	58%	0.578	S	S	*	*			trans	-118.3	93.6	157.1	-72	-30	0	0	0	107.5	N876 V880	N876-H878 PolarHBondContact O-N 2.94Å; H878-V880 PolarHBondContact O-N 3.09Å
879	V	28.1	Very low	34.4	Very low	117 Å²	117	112.2 Å²	112.2	71%	0.709	61%	0.605	S	S	*	*			trans	-57.9	92.4	160.9	179.5	0	0	0	0	106.5	T881	V879-T881 VanDerWaalsContact C-N 3.3Å; V879-T881 HydrophobicContact CG1-CG2 4.35Å; V879-T881 PolarHBondContact O-N 3.38Å
880	V	28	Very low	32.2	Very low	64 Å²	64	110.9 Å²	110.9	39%	0.388	60%	0.599	S	S	.	*			trans	-62.2	99.9	169.5	-179.6	0	0	0	0	105.9	H878 D882	H878-V880 PolarHBondContact O-N 3.09Å; V880-D882 HydrophobicContact CG1-CB 4.35Å; V880-D882 PolarHBondContact O-N 2.98Å
881	T	24.2	Very low	30.7	Very low	121 Å²	121	112.5 Å²	112.5	74%	0.742	61%	0.607	S	S	*	*			trans	-73.3	85.2	165.5	43.9	0	0	0	0	106.1	V879 S883	V879-T881 VanDerWaalsContact C-N 3.3Å; V879-T881 HydrophobicContact CG1-CG2 4.35Å; V879-T881 PolarHBondContact O-N 3.38Å; T881-S883 PolarHBondContact O-N 3.03Å
882	D	31.6	Very low	30.3	Very low	103 Å²	103	111.6 Å²	111.6	55%	0.551	60%	0.602	S	S	*	*			trans	-65.6	106.9	-175.9	-161.9	13.8	0	0	0	109.3	V880 G884	V880-D882 HydrophobicContact CG1-CB 4.35Å; V880-D882 PolarHBondContact O-N 2.98Å; D882-G884 PolarHBondContact O-N 3.25Å; D882-G884 VanDerWaalsContact O-N 3.16Å
883	S	26.8	Very low	30.7	Very low	91 Å²	91	110.4 Å²	110.4	64%	0.636	60%	0.599	S	S	*	*			trans	-62.4	113.3	175.4	54.4	0	0	0	0	108.5	T881 Q885	T881-S883 PolarHBondContact O-N 3.03Å; S883-Q885 PolarHBondContact O-N 3.12Å
884	G	28.3	Very low	31.4	Very low	78 Å²	78	106.6 Å²	106.6	80%	0.804	58%	0.578	S	S	*	*			trans	-49.6	102.3	-172	0	0	0	0	0	114.4	D882	D882-G884 PolarHBondContact O-N 3.25Å; D882-G884 VanDerWaalsContact O-N 3.16Å
885	Q	26.8	Very low	32.1	Very low	144 Å²	144	100 Å²	100	67%	0.673	56%	0.556	S	S	*	*			trans	-145.6	56.1	170	-70.6	-165.3	2.9	0	0	112.7	S883	S883-Q885 PolarHBondContact O-N 3.12Å
886	F	32	Very low	32.5	Very low	82 Å²	82	97.3 Å²	97.3	36%	0.36	54%	0.535	S	S	.	.			trans	-129	60.2	151.2	-64.6	-73.6	0	0	0	109.4	Y888	F886-Y888 HydrophobicContact CB-CD2 4.42Å; F886-Y888 HydrophobicContact CB-CE2 3.93Å; F886-Y888 WeakPolarHBondContact O-CD2 3.31Å; F886-Y888 PolarHBondContact O-N 3.06Å; F886-Y888 VanDerWaalsContact O-N 3.11Å
887	R	24.4	Very low	32.7	Very low	232 Å²	232	97.3 Å²	97.3	88%	0.875	52%	0.524	S	S	*	.			trans	-74	99.9	170.3	-96	-174.4	-173.2	152.5	4.1	109.3
888	Y	34.4	Very low	32.8	Very low	37 Å²	37	97.4 Å²	97.4	15%	0.145	52%	0.517	C	S	.	.			trans	-81.4	128.1	163.9	-66.8	-77.8	0	0	0	109.1	T584 M586 F886	T584-Y888 WeakPolarHBondContact O-CD1 3.41Å; T584-Y888 WeakPolarHBondContact O-CE1 3.26Å; M586-Y888 HydrophobicContact CE-CD2 4.49Å; F886-Y888 HydrophobicContact CB-CD2 4.42Å; F886-Y888 HydrophobicContact CB-CE2 3.93Å; F886-Y888 WeakPolarHBondContact O-CD2 3.31Å; F886-Y888 PolarHBondContact O-N 3.06Å; F886-Y888 VanDerWaalsContact O-N 3.11Å
889	V	26.4	Very low	32.6	Very low	103 Å²	103	98.5 Å²	98.5	62%	0.624	52%	0.52	S	S	*	.			trans	-121.8	115.7	-179.3	-178.9	0	0	0	0	108.6
890	S	32.4	Very low	32.5	Very low	14 Å²	14	97.5 Å²	97.5	10%	0.098	52%	0.518	C	S	.	.			trans	-164.6	121.3	151.6	-179.6	0	0	0	0	109.7	N491 I492	N491-S890 CarbonylContact C-O 3.59Å; I492-S890 CarbonylContact C-O 3.12Å
891	S	33.8	Very low	32.7	Very low	88 Å²	88	102.1 Å²	102.1	62%	0.615	54%	0.539	S	S	*	.			trans	-96.4	-5.9	171.7	51.1	0	0	0	0	113.3
892	D	39.2	Very low	33	Very low	110 Å²	110	99.5 Å²	99.5	59%	0.588	53%	0.525	S	S	*	.	S	Bend	trans	-83.6	143.2	-173.4	-71.5	-6.4	0	0	0	112.3	L894	D892-L894 PolarHBondContact O-N 3.13Å
893	V	45.4	Very low	33.1	Very low	84 Å²	84	100.9 Å²	100.9	51%	0.509	53%	0.533	S	S	.	.	B	Isolated β-bridge	trans	-61.9	105.2	169.3	179.1	0	0	0	0	108.1	C494 R496 Q895	C494-V893 WeakPolarHBondContact O-CA 3.37Å; R496-V893 HydrophobicContact CB-CG1 3.89Å; V893-Q895 HydrophobicContact CG1-CG 4.28Å; V893-Q895 PolarHBondContact O-N 3.22Å
894	L	47.5	Very low	33.5	Very low	18 Å²	18	101.4 Å²	101.4	9%	0.094	53%	0.534	C	S	.	.			trans	-68.1	109.6	179.2	-65.3	177.1	0	0	0	108.8	A493 C494 F495 N501 H582 Q585 D892	A493-L894 HydrophobicContact CB-CD1 3.55Å; A493-L894 HydrophobicContact CB-CG 4.37Å; C494-L894 PolarHBondContact O-N 3.24Å; F495-L894 HydrophobicContact CD1-CB 3.72Å; F495-L894 WeakPolarHBondContact CD1-O 3.26Å; F495-L894 HydrophobicContact CE1-CB 3.54Å; F495-L894 HydrophobicContact CE1-CD1 3.81Å; F495-L894 HydrophobicContact CE1-CG 4.34Å; F495-L894 HydrophobicContact CZ-CD1 4.08Å; N501-L894 PolarHBondContact ND2-O 2.66Å; H582-L894 HydrophobicContact CB-CD1 4.11Å; Q585-L894 HydrophobicContact CG-CD1 4.29Å; D892-L894 PolarHBondContact O-N 3.13Å
895	Q	46.9	Very low	33.9	Very low	68 Å²	68	101.9 Å²	101.9	32%	0.318	53%	0.53	S	S	.	.			trans	-123.2	125.4	165	-70.4	-175.8	11.1	0	0	108.1	R496 V893 R897	R496-Q895 VanDerWaalsContact CD-NE2 3.33Å; V893-Q895 HydrophobicContact CG1-CG 4.28Å; V893-Q895 PolarHBondContact O-N 3.22Å; Q895-R897 VanDerWaalsContact C-N 3.32Å; Q895-R897 PolarHBondContact O-N 2.95Å
896	L	39.1	Very low	34.4	Very low	30 Å²	30	104.6 Å²	104.6	16%	0.157	53%	0.534	C	S	.	.			trans	-66.4	96.5	166.6	-67.5	170.2	0	0	0	107.7	L299 T504 M505 H582	L299-L896 HydrophobicContact CB-CD2 4.45Å; L299-L896 HydrophobicContact CD1-CD2 3.58Å; L299-L896 HydrophobicContact CD2-CD2 3.64Å; L299-L896 HydrophobicContact CG-CD2 4.07Å; T504-L896 HydrophobicContact CG2-CB 3.92Å; T504-L896 HydrophobicContact CG2-CD1 3.95Å; M505-L896 HydrophobicContact CB-CD1 3.85Å; H582-L896 VanDerWaalsContact NE2-CD2 3.33Å; H582-L896 WeakPolarHBondContact NE2-CD2 3.39Å
897	R	34	Very low	34.7	Very low	144 Å²	144	105.5 Å²	105.5	54%	0.543	54%	0.54	S	S	.	.			trans	-94.3	146.1	159	-65.9	-173.3	-179.2	-169.4	-0.7	106.5	Q895 D910	Q895-R897 VanDerWaalsContact C-N 3.32Å; Q895-R897 PolarHBondContact O-N 2.95Å; R897-D910 IonicContact NH1-OD2 3.99Å
898	K	29.4	Very low	35.3	Very low	159 Å²	159	102 Å²	102	69%	0.691	53%	0.531	S	S	*	.			trans	-90.5	129.7	160.2	179.9	176.9	-179.4	175.8	0	103.9	S900	K898-S900 VanDerWaalsContact C-N 3.3Å; K898-S900 PolarHBondContact O-N 2.86Å
899	K	25.3	Very low	35.3	Very low	182 Å²	182	106.6 Å²	106.6	79%	0.791	56%	0.555	S	S	*	*			trans	-46.4	94.5	170.6	-159.1	174.9	-170.5	174.7	0	110
900	S	27.5	Very low	36	Very low	96 Å²	96	105.4 Å²	105.4	67%	0.671	55%	0.545	S	S	*	.			trans	-85.5	123.5	169.5	61	0	0	0	0	105.6	K898 S902	K898-S900 VanDerWaalsContact C-N 3.3Å; K898-S900 PolarHBondContact O-N 2.86Å; S900-S902 PolarHBondContact O-N 2.8Å
901	I	32	Very low	36.3	Very low	160 Å²	160	110.9 Å²	110.9	82%	0.821	57%	0.569	S	S	*	*			trans	-47.9	110.3	171.8	-62.1	159.4	0	0	0	107.2	N903	I901-N903 PolarHBondContact O-N 3.24Å
902	S	30.1	Very low	36.6	Very low	67 Å²	67	112.2 Å²	112.2	47%	0.469	57%	0.57	S	S	.	*			trans	-71.7	123.6	-174.4	50.6	0	0	0	0	109.2	S900 E907	S900-S902 PolarHBondContact O-N 2.8Å; S902-E907 VanDerWaalsContact CB-OE1 3.23Å; S902-E907 WeakPolarHBondContact CB-OE1 3.37Å; S902-E907 PolarHBondContact OG-OE1 3.49Å
903	N	32.7	Very low	36.4	Very low	131 Å²	131	112.7 Å²	112.7	70%	0.701	57%	0.568	S	S	*	*			trans	-77.9	128.2	155.8	-91.1	-14.2	0	0	0	106.6	I901 A905 R906	I901-N903 PolarHBondContact O-N 3.24Å; N903-A905 PolarHBondContact O-N 2.96Å; N903-R906 PolarHBondContact O-N 3.18Å; N903-R906 VanDerWaalsContact O-N 3.17Å
904	P	35.7	Very low	36.2	Very low	102 Å²	102	112.1 Å²	112.1	66%	0.662	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-8.4	-168.8	21.1	-32.4	0	0	0	115.2
905	A	37.6	Very low	35.8	Very low	88 Å²	88	114.8 Å²	114.8	73%	0.727	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-22.3	175.9	0	0	0	0	0	114	N903	N903-A905 PolarHBondContact O-N 2.96Å
906	R	36.3	Very low	35.1	Very low	202 Å²	202	118.2 Å²	118.2	76%	0.762	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-26.7	-177.7	-112.5	179.4	177.1	176	-2.7	113.9	N903 K908 M909 D910	N903-R906 PolarHBondContact O-N 3.18Å; N903-R906 VanDerWaalsContact O-N 3.17Å; R906-K908 VanDerWaalsContact C-N 3.27Å; R906-K908 PolarHBondContact O-N 2.74Å; R906-M909 PolarHBondContact O-N 3.32Å; R906-D910 PolarHBondContact O-N 2.83Å
907	E	37.8	Very low	34.9	Very low	101 Å²	101	125.8 Å²	125.8	47%	0.472	64%	0.644	S	S	.	*	H	α-helix	trans	-66.2	-28	179.4	-78.4	171.6	-172.5	0	0	112.6	S902 Q911	S902-E907 VanDerWaalsContact CB-OE1 3.23Å; S902-E907 WeakPolarHBondContact CB-OE1 3.37Å; S902-E907 PolarHBondContact OG-OE1 3.49Å; E907-Q911 WeakPolarHBondContact O-CG 3.25Å; E907-Q911 PolarHBondContact O-N 3.27Å
908	K	38.4	Very low	35	Very low	159 Å²	159	125.7 Å²	125.7	69%	0.691	67%	0.674	S	S	*	*	H	α-helix	trans	-68.6	-35.2	174.9	-81.5	-171.3	173.1	-173.6	0	113.7	R906	R906-K908 VanDerWaalsContact C-N 3.27Å; R906-K908 PolarHBondContact O-N 2.74Å
909	M	33.7	Very low	35.3	Very low	133 Å²	133	124 Å²	124	66%	0.655	67%	0.674	S	S	*	*	H	α-helix	trans	-72.7	-37.9	179.8	-108.1	-175.3	74	0	0	112.5	R906 D912 E913	R906-M909 PolarHBondContact O-N 3.32Å; M909-D912 PolarHBondContact O-N 3.46Å; M909-E913 PolarHBondContact O-N 2.91Å
910	D	41.4	Very low	35.8	Very low	77 Å²	77	120.9 Å²	120.9	41%	0.412	67%	0.667	S	S	.	*	H	α-helix	trans	-74.3	-27.2	-178.4	-78.4	5.8	0	0	0	112	R897 R906 S914	R897-D910 IonicContact NH1-OD2 3.99Å; R906-D910 PolarHBondContact O-N 2.83Å; D910-S914 PolarHBondContact O-N 3.5Å; D910-S914 PolarHBondContact O-OG 3.1Å
911	Q	39.5	Very low	36.2	Very low	129 Å²	129	122.3 Å²	122.3	60%	0.603	67%	0.667	S	S	*	*	H	α-helix	trans	-68.9	-37.1	173.1	-76.7	-179.9	-0.1	0	0	112.2	E907 S914 A915	E907-Q911 WeakPolarHBondContact O-CG 3.25Å; E907-Q911 PolarHBondContact O-N 3.27Å; Q911-S914 WeakPolarHBondContact CA-OG 3.5Å; Q911-S914 PolarHBondContact O-N 3Å; Q911-S914 PolarHBondContact O-OG 3.12Å; Q911-A915 PolarHBondContact O-N 2.89Å
912	D	38.7	Very low	36.5	Very low	117 Å²	117	120.1 Å²	120.1	63%	0.626	66%	0.658	S	S	*	*	H	α-helix	trans	-69	-33.5	177.2	-72.9	-19.8	0	0	0	112.2	M909	M909-D912 PolarHBondContact O-N 3.46Å
913	E	36.4	Very low	36.9	Very low	119 Å²	119	123.4 Å²	123.4	56%	0.556	67%	0.67	S	S	*	*	H	α-helix	trans	-72.5	-34.2	174.7	-78.2	-166	171.4	0	0	112.9	M909 L916 F917	M909-E913 PolarHBondContact O-N 2.91Å; E913-L916 PolarHBondContact O-N 2.77Å; E913-F917 WeakPolarHBondContact O-CD2 3.49Å
914	S	41	Very low	37.2	Very low	73 Å²	73	122.9 Å²	122.9	51%	0.51	67%	0.668	S	S	.	*	H	α-helix	trans	-75.4	-26.5	-179.7	32.4	0	0	0	0	113	D910 Q911 L916 A918	D910-S914 PolarHBondContact O-N 3.5Å; D910-S914 PolarHBondContact O-OG 3.1Å; Q911-S914 WeakPolarHBondContact CA-OG 3.5Å; Q911-S914 PolarHBondContact O-N 3Å; Q911-S914 PolarHBondContact O-OG 3.12Å; S914-L916 VanDerWaalsContact C-N 3.27Å; S914-L916 PolarHBondContact O-N 2.92Å; S914-A918 PolarHBondContact O-N 3.5Å
915	A	39.4	Very low	37.3	Very low	74 Å²	74	124.4 Å²	124.4	61%	0.612	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-17.3	171	0	0	0	0	0	113.9	Q911	Q911-A915 PolarHBondContact O-N 2.89Å
916	L	31	Very low	37.3	Very low	139 Å²	139	127.2 Å²	127.2	73%	0.728	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-14.1	179.2	-109	151.8	0	0	0	113.6	E913 S914	E913-L916 PolarHBondContact O-N 2.77Å; S914-L916 VanDerWaalsContact C-N 3.27Å; S914-L916 PolarHBondContact O-N 2.92Å
917	F	34.6	Very low	37.4	Very low	189 Å²	189	121 Å²	121	83%	0.829	66%	0.656	S	S	*	*			trans	-116	-0.7	-177.2	-78.6	-75.2	0	0	0	114.5	E913	E913-F917 WeakPolarHBondContact O-CD2 3.49Å
918	A	36.4	Very low	37.3	Very low	142 Å²	142	122.8 Å²	122.8	100%	1.174	67%	0.672	S	S	*	*			trans	-89.7	0	160.5	0	0	0	0	0	108.6	S914	S914-A918 PolarHBondContact O-N 3.5Å

Retrieved 918 of 918 residues in 545.2 ms (Link to these results)

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