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SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 1 AlphaSync

ATPase that possesses intrinsic ATP-dependent chromatin-remodeling activity^1,2,3,4. ATPase activity is substrate-dependent, and is increased when nucleosomes are the substrate, but is also catalytically active when DNA alone is the substrate^5,6,7. Catalytic subunit of ISWI chromatin-remodeling complexes, which form ordered nucleosome arrays on chromatin and facilitate access to DNA during DNA-templated processes such as DNA replication, transcription, and repair^8,9,10,11. Within the ISWI chromatin-remodeling complexes, slides edge- and center-positioned histone octamers away from their original location on the DNA template¹². Catalytic activity and histone octamer sliding propensity is regulated and determined by components of the ISWI chromatin-remodeling complexes¹³. The BAZ1A-, BAZ1B-, BAZ2A- and BAZ2B-containing ISWI chromatin-remodeling complexes regulate the spacing of nucleosomes along the chromatin and have the ability to slide mononucleosomes to the center of a DNA template¹⁴. The CECR2- and RSF1-containing ISWI chromatin-remodeling complexes do not have the ability to slide mononucleosomes to the center of a DNA template¹⁵. Within the NURF-1 and CERF-1 ISWI chromatin remodeling complexes, nucleosomes are the preferred substrate for its ATPase activity^16,17. Within the NURF-1 ISWI chromatin-remodeling complex, binds to the promoters of En1 and En2 to positively regulate their expression and promote brain development¹⁸. May promote neurite outgrowth¹⁹. May be involved in the development of luteal cells²⁰. Facilitates nucleosome assembly during DNA replication, ensuring replication fork progression and genomic stability by preventing replication stress and nascent DNA gaps²¹. Catalytically inactive when either DNA or nucleosomes are the substrate and does not possess chromatin-remodeling activity^22,23. Acts as a negative regulator of chromatin remodelers by generating inactive complexes²⁴.

AlphaFold DB , UniProt , Accession P28370, Species HUMAN (Homo sapiens, Human), Gene SMARCA1, Length 1,042 aa.

						>SMCA1_HUMAN|P28370|SMARCA1
MEQDTAAVAATVAAADATATIVVIEDEQPGPSTSQEEGAAAAATEATAATEKGEKKKEKNVSSFQLKLAAKAPKSEKEMDPEYEEKMKADRAKRFEFLLKQTELFAHFIQPSAQKSPTSPLNMKLGRPRIKKDEKQSLISAGDYRHRRTEQEEDEELLSESRKTSNVCIRFEVSPSYVKGGPLRDYQIRGLNWLISLYENGVNGILADEMGLGKTLQTIALLGYLKHYRNIPGPHMVLVPKSTLHNWMNEFKRWVPSLRVICFVGDKDARAAFIRDEMMPGEWDVCVTSYEMVIKEKSVFKKFHWRYLVIDEAHRIKNEKSKLSEIVREFKSTNRLLLTGTPLQNNLHELWALLNFLLPDVFNSADDFDSWFDTKNCLGDQKLVERLHAVLKPFLLRRIKTDVEKSLPPKKEIKIYLGLSKMQREWYTKILMKDIDVLNSSGKMDKMRLLNILMQLRKCCNHPYLFDGAEPGPPYTTDEHIVSNSGKMVVLDKLLAKLKEQGSRVLIFSQMTRLLDILEDYCMWRGYEYCRLDGQTPHEEREEAIEAFNAPNSSKFIFMLSTRAGGLGINLASADVVILYDSDWNPQVDLQAMDRAHRIGQKKPVRVFRLITDNTVEERIVERAEIKLRLDSIVIQQGRLIDQQSNKLAKEEMLQMIRHGATHVFASKESELTDEDITTILERGEKKTAEMNERLQKMGESSLRNFRMDIEQSLYKFEGEDYREKQKLGMVEWIEPPKRERKANYAVDAYFREALRVSEPKIPKAPRPPKQPNVQDFQFFPPRLFELLEKEILYYRKTIGYKVPRNPDIPNPALAQREEQKKIDGAEPLTPEETEEKEKLLTQGFTNWTKRDFNQFIKANEKYGRDDIDNIAREVEGKSPEEVMEYSAVFWERCNELQDIEKIMAQIERGEARIQRRISIKKALDAKIARYKAPFHQLRIQYGTSKGKNYTEEEDRFLICMLHKMGFDRENVYEELRQCVRNAPQFRFDWFIKSRTAMEFQRRCNTLISLIEKENMEIEERERAEKKKRATKTPMVKFSAFS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	33.1	Very low	38.6	Very low	243 Å²	243	122.7 Å²	122.7	100%	1.197	72%	0.722	S	S	*	*				0	44.5	0	-78	179.8	149.6	0	0	110.6
2	E	33.2	Very low	38.3	Very low	177 Å²	177	121.8 Å²	121.8	83%	0.827	72%	0.718	S	S	*	*			trans	-126.4	8.5	-176.6	-82.9	-175.6	148	0	0	112.9
3	Q	36.9	Very low	38.2	Very low	183 Å²	183	118.9 Å²	118.9	86%	0.855	72%	0.717	S	S	*	*	S	Bend	trans	-99.2	-8.9	-179	-76.3	-175.5	-15.2	0	0	114.7
4	D	40.7	Very low	38	Very low	148 Å²	148	116.6 Å²	116.6	79%	0.791	72%	0.717	S	S	*	*	S	Bend	trans	-93.1	-4.8	-178.3	-73.1	-31.6	0	0	0	114.8
5	T	42.2	Very low	37.6	Very low	109 Å²	109	114.5 Å²	114.5	67%	0.669	72%	0.716	S	S	*	*	S	Bend	trans	-85.2	-16.2	178.2	49.9	0	0	0	0	113.7
6	A	41.2	Very low	37	Very low	72 Å²	72	116.4 Å²	116.4	60%	0.595	72%	0.72	S	S	*	*	H	α-helix	trans	-75.3	-28.7	179.9	0	0	0	0	0	113.3	V8	A6-V8 PolarHBondContact O-N 3.29Å
7	A	41.1	Very low	36.7	Very low	72 Å²	72	114.9 Å²	114.9	60%	0.595	72%	0.721	S	S	*	*	H	α-helix	trans	-73.6	-27.3	-177.7	0	0	0	0	0	113.4	T11	A7-T11 PolarHBondContact O-OG1 3.42Å
8	V	39.1	Very low	36.3	Very low	99 Å²	99	115 Å²	115	60%	0.6	72%	0.721	S	S	*	*	H	α-helix	trans	-81.6	-28.3	-179.6	-176.4	0	0	0	0	111.9	A6 T11	A6-V8 PolarHBondContact O-N 3.29Å; V8-T11 PolarHBondContact O-OG1 2.99Å
9	A	39.1	Very low	35.8	Very low	70 Å²	70	113.6 Å²	113.6	58%	0.579	72%	0.721	S	S	*	*	H	α-helix	trans	-71.7	-31.5	176.7	0	0	0	0	0	112.7	T11	A9-T11 PolarHBondContact O-N 3.14Å
10	A	39.8	Very low	35.3	Very low	71 Å²	71	114 Å²	114	59%	0.587	72%	0.723	S	S	*	*	H	α-helix	trans	-73	-26.1	-179.3	0	0	0	0	0	113.4
11	T	37.7	Very low	34.8	Very low	106 Å²	106	115.3 Å²	115.3	65%	0.65	72%	0.723	S	S	*	*	H	α-helix	trans	-81.6	-22.1	-179.7	21.3	0	0	0	0	113.4	A7 V8 A9	A7-T11 PolarHBondContact O-OG1 3.42Å; V8-T11 PolarHBondContact O-OG1 2.99Å; A9-T11 PolarHBondContact O-N 3.14Å
12	V	35.8	Very low	34.5	Very low	111 Å²	111	109.1 Å²	109.1	67%	0.673	70%	0.699	S	S	*	*	H	α-helix	trans	-82.2	-25.5	176.6	-179.2	0	0	0	0	112.1	A14	V12-A14 VanDerWaalsContact C-N 3.32Å; V12-A14 PolarHBondContact O-N 3.08Å
13	A	36.3	Very low	34.1	Very low	85 Å²	85	106 Å²	106	70%	0.702	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-13	-179.8	0	0	0	0	0	114.8
14	A	35.7	Very low	33.5	Very low	87 Å²	87	104.2 Å²	104.2	72%	0.719	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-1.4	-178.4	0	0	0	0	0	114.4	V12	V12-A14 VanDerWaalsContact C-N 3.32Å; V12-A14 PolarHBondContact O-N 3.08Å
15	A	31.6	Very low	32.8	Very low	84 Å²	84	105.2 Å²	105.2	69%	0.694	69%	0.686	S	S	*	*	S	Bend	trans	-106.4	8.5	-177	0	0	0	0	0	114.8	A17	A15-A17 VanDerWaalsContact C-N 3.28Å; A15-A17 PolarHBondContact O-N 3.32Å
16	D	27.7	Very low	32.1	Very low	146 Å²	146	107.3 Å²	107.3	78%	0.781	69%	0.693	S	S	*	*			trans	-97.2	39.3	172.6	-114.2	-6	0	0	0	111.8	T18	D16-T18 PolarHBondContact O-N 3.23Å
17	A	31.8	Very low	31.3	Very low	90 Å²	90	113.1 Å²	113.1	74%	0.744	71%	0.708	S	S	*	*			trans	-68.8	79.9	159	0	0	0	0	0	107.5	A15 A19	A15-A17 VanDerWaalsContact C-N 3.28Å; A15-A17 PolarHBondContact O-N 3.32Å; A17-A19 PolarHBondContact O-N 3.35Å
18	T	30.3	Very low	30.4	Very low	117 Å²	117	118.1 Å²	118.1	72%	0.718	72%	0.719	S	S	*	*			trans	-34.1	108.1	167.5	36.4	0	0	0	0	109.7	D16 T20	D16-T18 PolarHBondContact O-N 3.23Å; T18-T20 VanDerWaalsContact C-N 3.33Å; T18-T20 PolarHBondContact O-N 3.02Å; T18-T20 PolarHBondContact O-OG1 3.41Å
19	A	26.6	Very low	29.8	Very low	88 Å²	88	119.4 Å²	119.4	73%	0.727	73%	0.729	S	S	*	*			trans	-51	102.6	170.5	0	0	0	0	0	107.2	A17 I21	A17-A19 PolarHBondContact O-N 3.35Å; A19-I21 PolarHBondContact O-N 3.11Å
20	T	26.5	Very low	29.1	Very low	122 Å²	122	118.9 Å²	118.9	75%	0.748	73%	0.731	S	S	*	*			trans	-68.8	92.6	172.9	-51.4	0	0	0	0	104.9	T18 V22	T18-T20 VanDerWaalsContact C-N 3.33Å; T18-T20 PolarHBondContact O-N 3.02Å; T18-T20 PolarHBondContact O-OG1 3.41Å; T20-V22 PolarHBondContact O-N 2.82Å
21	I	25.1	Very low	28.5	Very low	141 Å²	141	121.4 Å²	121.4	72%	0.723	74%	0.741	S	S	*	*			trans	-63	97	168.1	-64.2	174	0	0	0	104.7	A19 V23	A19-I21 PolarHBondContact O-N 3.11Å; I21-V23 HydrophobicContact CG2-CG2 3.96Å; I21-V23 PolarHBondContact O-N 2.95Å
22	V	25.3	Very low	27.9	Very low	114 Å²	114	121.5 Å²	121.5	69%	0.691	75%	0.746	S	S	*	*			trans	-65.1	91.1	165.9	179.4	0	0	0	0	105.2	T20 I24	T20-V22 PolarHBondContact O-N 2.82Å; V22-I24 VanDerWaalsContact C-N 3.27Å; V22-I24 HydrophobicContact CG1-CG1 4.22Å; V22-I24 PolarHBondContact O-N 2.96Å
23	V	25.2	Very low	27.4	Very low	112 Å²	112	122.7 Å²	122.7	68%	0.679	75%	0.754	S	S	*	*			trans	-65.5	98.7	164.9	179.9	0	0	0	0	105	I21 E25	I21-V23 HydrophobicContact CG2-CG2 3.96Å; I21-V23 PolarHBondContact O-N 2.95Å; V23-E25 VanDerWaalsContact C-N 3.3Å; V23-E25 PolarHBondContact O-N 3.04Å
24	I	24.8	Very low	27	Very low	144 Å²	144	123.2 Å²	123.2	74%	0.738	75%	0.753	S	S	*	*			trans	-65.1	99.5	166.7	-60.4	172.2	0	0	0	104.5	V22 D26	V22-I24 VanDerWaalsContact C-N 3.27Å; V22-I24 HydrophobicContact CG1-CG1 4.22Å; V22-I24 PolarHBondContact O-N 2.96Å; I24-D26 PolarHBondContact O-N 3.31Å; I24-D26 VanDerWaalsContact O-N 3.07Å
25	E	25.9	Very low	26.5	Very low	169 Å²	169	128 Å²	128	79%	0.79	76%	0.76	S	S	*	*			trans	-57.2	113.2	168.4	-73	-174.5	149.9	0	0	107.4	V23 E27	V23-E25 VanDerWaalsContact C-N 3.3Å; V23-E25 PolarHBondContact O-N 3.04Å; E25-E27 PolarHBondContact O-N 2.88Å
26	D	26.4	Very low	26.2	Very low	154 Å²	154	132.7 Å²	132.7	82%	0.824	77%	0.768	S	S	*	*			trans	-51.2	114	166	-96.1	-36	0	0	0	107.4	I24 Q28	I24-D26 PolarHBondContact O-N 3.31Å; I24-D26 VanDerWaalsContact O-N 3.07Å; D26-Q28 VanDerWaalsContact C-N 3.31Å; D26-Q28 PolarHBondContact O-N 3.07Å
27	E	24.4	Very low	26.2	Very low	193 Å²	193	134.6 Å²	134.6	90%	0.902	77%	0.772	S	S	*	*			trans	-52.4	98.9	166.2	-82.5	-174.8	143.4	0	0	107.7	E25	E25-E27 PolarHBondContact O-N 2.88Å
28	Q	24.2	Very low	25.9	Very low	178 Å²	178	134 Å²	134	83%	0.832	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-59.5	126.9	166.1	-75.6	-154.5	-18.5	0	0	107.1	D26 G30	D26-Q28 VanDerWaalsContact C-N 3.31Å; D26-Q28 PolarHBondContact O-N 3.07Å; Q28-G30 PolarHBondContact O-N 3.17Å
29	P	25.9	Very low	25.7	Very low	125 Å²	125	133.2 Å²	133.2	81%	0.812	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-57.8	120.5	-175.8	21.8	-31.1	0	0	0	108.8
30	G	24.2	Very low	25.7	Very low	60 Å²	60	133.7 Å²	133.7	62%	0.619	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-48.4	141	178.4	0	0	0	0	0	110.7	Q28 S32	Q28-G30 PolarHBondContact O-N 3.17Å; G30-S32 PolarHBondContact O-N 3.27Å; G30-S32 VanDerWaalsContact O-N 3.13Å
31	P	27.5	Very low	25.7	Very low	123 Å²	123	132.8 Å²	132.8	80%	0.799	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-57.7	124.3	-174.7	24.1	-32.2	0	0	0	108.8	T33	P31-T33 PolarHBondContact O-N 3.38Å
32	S	25.6	Very low	25.9	Very low	109 Å²	109	130.4 Å²	130.4	76%	0.762	79%	0.79	S	S	*	*			trans	-50.1	108.4	170.8	51.9	0	0	0	0	108.5	G30 S34	G30-S32 PolarHBondContact O-N 3.27Å; G30-S32 VanDerWaalsContact O-N 3.13Å; S32-S34 PolarHBondContact O-N 3.5Å
33	T	24.9	Very low	25.9	Very low	135 Å²	135	129.7 Å²	129.7	83%	0.828	80%	0.796	S	S	*	*			trans	-63.5	87.4	165.1	26.9	0	0	0	0	107.4	P31 Q35	P31-T33 PolarHBondContact O-N 3.38Å; T33-Q35 PolarHBondContact O-N 3.1Å; T33-Q35 VanDerWaalsContact O-N 3.09Å
34	S	26.4	Very low	26	Very low	97 Å²	97	130.7 Å²	130.7	68%	0.678	80%	0.803	S	S	*	*			trans	-58.7	108.8	155.2	47.2	0	0	0	0	105.9	S32 E36	S32-S34 PolarHBondContact O-N 3.5Å; S34-E36 VanDerWaalsContact C-N 3.29Å; S34-E36 PolarHBondContact O-N 3.44Å
35	Q	25.2	Very low	26	Very low	187 Å²	187	132.6 Å²	132.6	87%	0.874	81%	0.808	S	S	*	*			trans	-56.6	100.1	165.5	-71.4	175.6	-25.9	0	0	106.5	T33 E37	T33-Q35 PolarHBondContact O-N 3.1Å; T33-Q35 VanDerWaalsContact O-N 3.09Å; Q35-E37 PolarHBondContact O-N 2.73Å; Q35-E37 VanDerWaalsContact O-N 3.1Å
36	E	26.2	Very low	25.9	Very low	182 Å²	182	129.6 Å²	129.6	85%	0.85	81%	0.813	S	S	*	*			trans	-63.8	106.2	162.1	-78.4	-178.7	154.1	0	0	105.8	S34 G38	S34-E36 VanDerWaalsContact C-N 3.29Å; S34-E36 PolarHBondContact O-N 3.44Å; E36-G38 PolarHBondContact O-N 3.23Å; E36-G38 VanDerWaalsContact O-N 3.13Å
37	E	27.6	Very low	25.9	Very low	187 Å²	187	128.6 Å²	128.6	87%	0.874	81%	0.812	S	S	*	*			trans	-53.6	116.2	166.8	-70.5	179.6	152.2	0	0	107.7	Q35 A39	Q35-E37 PolarHBondContact O-N 2.73Å; Q35-E37 VanDerWaalsContact O-N 3.1Å; E37-A39 PolarHBondContact O-N 3.5Å
38	G	24.9	Very low	25.9	Very low	78 Å²	78	124.4 Å²	124.4	80%	0.804	81%	0.811	S	S	*	*			trans	-57.8	105.7	-179.8	0	0	0	0	0	110.7	E36 A40	E36-G38 PolarHBondContact O-N 3.23Å; E36-G38 VanDerWaalsContact O-N 3.13Å; G38-A40 PolarHBondContact O-N 3.32Å
39	A	26.8	Very low	26	Very low	100 Å²	100	120.5 Å²	120.5	83%	0.826	81%	0.808	S	S	*	*			trans	-67.2	101.6	162	0	0	0	0	0	107.5	E37 A41	E37-A39 PolarHBondContact O-N 3.5Å; A39-A41 PolarHBondContact O-N 2.62Å
40	A	27.8	Very low	25.9	Very low	98 Å²	98	121.1 Å²	121.1	81%	0.81	81%	0.81	S	S	*	*			trans	-55.7	109	173.5	0	0	0	0	0	109.6	G38 A42	G38-A40 PolarHBondContact O-N 3.32Å; A40-A42 VanDerWaalsContact C-N 3.3Å; A40-A42 PolarHBondContact O-N 3.47Å
41	A	26.4	Very low	25.9	Very low	102 Å²	102	127.9 Å²	127.9	84%	0.843	83%	0.826	S	S	*	*			trans	-69.4	87.4	170.9	0	0	0	0	0	108.9	A39 A43	A39-A41 PolarHBondContact O-N 2.62Å; A41-A43 PolarHBondContact O-N 3.44Å; A41-A43 VanDerWaalsContact O-N 3.12Å
42	A	28.5	Very low	25.7	Very low	91 Å²	91	131.8 Å²	131.8	75%	0.752	83%	0.83	S	S	*	*			trans	-72.5	98.2	165.9	0	0	0	0	0	108.4	A40 T44	A40-A42 VanDerWaalsContact C-N 3.3Å; A40-A42 PolarHBondContact O-N 3.47Å; A42-T44 PolarHBondContact O-N 3.19Å
43	A	24.6	Very low	25.6	Very low	99 Å²	99	130 Å²	130	82%	0.818	83%	0.829	S	S	*	*			trans	-65.4	118.6	165.2	0	0	0	0	0	109.1	A41	A41-A43 PolarHBondContact O-N 3.44Å; A41-A43 VanDerWaalsContact O-N 3.12Å
44	T	27.8	Very low	25.6	Very low	134 Å²	134	132.1 Å²	132.1	82%	0.822	83%	0.83	S	S	*	*			trans	-132.6	120.7	162.3	46.6	0	0	0	0	108.6	A42	A42-T44 PolarHBondContact O-N 3.19Å
45	E	26.1	Very low	25.4	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	84%	0.842	S	S	*	*			trans	-58.7	142.3	-170.3	-68	166.2	136.6	0	0	113.4	T47	E45-T47 PolarHBondContact O-N 3.46Å
46	A	23.2	Very low	25.4	Very low	106 Å²	106	137.7 Å²	137.7	88%	0.876	84%	0.839	S	S	*	*			trans	-73.1	103.1	170.2	0	0	0	0	0	110
47	T	26.9	Very low	25.3	Very low	132 Å²	132	139.1 Å²	139.1	81%	0.81	84%	0.842	S	S	*	*			trans	-107.4	106.1	160.9	49.7	0	0	0	0	109.5	E45 A49	E45-T47 PolarHBondContact O-N 3.46Å; T47-A49 PolarHBondContact O-N 3.4Å
48	A	23.1	Very low	25.2	Very low	106 Å²	106	139.2 Å²	139.2	88%	0.876	84%	0.843	S	S	*	*			trans	-64.4	123.3	166	0	0	0	0	0	110.2
49	A	27	Very low	25.3	Very low	95 Å²	95	145 Å²	145	79%	0.785	85%	0.846	S	S	*	*			trans	-149.7	104.9	158.1	0	0	0	0	0	108.7	T47	T47-A49 PolarHBondContact O-N 3.4Å
50	T	23.1	Very low	25.3	Very low	139 Å²	139	148.1 Å²	148.1	85%	0.853	85%	0.848	S	S	*	*			trans	-49.6	127.9	160.9	40.1	0	0	0	0	111.2
51	E	25.3	Very low	25.2	Very low	201 Å²	201	150.1 Å²	150.1	94%	0.939	85%	0.85	S	S	*	*			trans	-159.3	146	141.7	-115.3	170.5	-159.9	0	0	113.2
52	K	23	Very low	25.3	Very low	206 Å²	206	150.4 Å²	150.4	90%	0.896	85%	0.846	S	S	*	*			trans	-78.7	139.6	-163.2	-71.6	166.5	169.6	171	0	111.7
53	G	22.8	Very low	25.3	Very low	72 Å²	72	150.4 Å²	150.4	74%	0.742	84%	0.841	S	S	*	*			trans	64.7	112.6	133.1	0	0	0	0	0	118.3
54	E	24.3	Very low	25.4	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	84%	0.839	S	S	*	*				-162.6	123.7	124	-111.1	178.2	-174.7	0	0	110.9	K56	E54-K56 PolarHBondContact O-N 2.98Å; E54-K56 VanDerWaalsContact O-N 3.17Å
55	K	23.8	Very low	25.3	Very low	215 Å²	215	156.1 Å²	156.1	94%	0.935	84%	0.839	S	S	*	*			trans	-65.7	106.3	173.7	-73.8	171.7	172.7	173.9	0	109.1
56	K	24.7	Very low	25.4	Very low	185 Å²	185	153.9 Å²	153.9	80%	0.804	83%	0.832	S	S	*	*			trans	-117.4	122.2	160.1	-89.1	-178.9	178.4	168.6	0	111.1	E54 E58	E54-K56 PolarHBondContact O-N 2.98Å; E54-K56 VanDerWaalsContact O-N 3.17Å; K56-E58 PolarHBondContact O-N 3.15Å
57	K	24.8	Very low	25.4	Very low	213 Å²	213	158.7 Å²	158.7	93%	0.926	83%	0.833	S	S	*	*			trans	-54.9	107.7	175.7	-70.7	164.3	168.6	173.2	0	110.3
58	E	24.7	Very low	25.5	Very low	188 Å²	188	160.3 Å²	160.3	88%	0.879	84%	0.836	S	S	*	*			trans	-98.9	124.4	160.7	-79.1	-172.1	159.7	0	0	110	K56 N60	K56-E58 PolarHBondContact O-N 3.15Å; E58-N60 PolarHBondContact O-N 3.19Å
59	K	25.8	Very low	25.8	Very low	201 Å²	201	159.9 Å²	159.9	87%	0.874	83%	0.832	S	S	*	*			trans	-63	110.6	-178.6	-71.5	167.8	171.8	174.5	0	108.4	V61	K59-V61 PolarHBondContact O-N 2.98Å
60	N	27	Very low	25.8	Very low	165 Å²	165	160.4 Å²	160.4	88%	0.882	84%	0.836	S	S	*	*			trans	-56.1	106.8	164.6	-99	-21.5	0	0	0	108.8	E58 S62	E58-N60 PolarHBondContact O-N 3.19Å; N60-S62 VanDerWaalsContact C-N 3.32Å; N60-S62 PolarHBondContact O-N 3.22Å
61	V	26.4	Very low	26	Very low	140 Å²	140	163.4 Å²	163.4	85%	0.848	84%	0.838	S	S	*	*			trans	-64.6	98.5	166	179.2	0	0	0	0	106	K59 S63	K59-V61 PolarHBondContact O-N 2.98Å; V61-S63 PolarHBondContact O-N 2.87Å
62	S	27.8	Very low	26.2	Very low	107 Å²	107	157.8 Å²	157.8	75%	0.748	83%	0.826	S	S	*	*			trans	-51.5	102.9	175.7	160.8	0	0	0	0	109.8	N60 F64	N60-S62 VanDerWaalsContact C-N 3.32Å; N60-S62 PolarHBondContact O-N 3.22Å; S62-F64 PolarHBondContact O-N 2.97Å; S62-F64 VanDerWaalsContact O-N 3.16Å
63	S	28.8	Very low	26.6	Very low	92 Å²	92	154.2 Å²	154.2	64%	0.643	82%	0.823	S	S	*	*			trans	-51.3	119.9	167.7	59.4	0	0	0	0	109.1	V61 Q65	V61-S63 PolarHBondContact O-N 2.87Å; S63-Q65 VanDerWaalsContact C-N 3.31Å; S63-Q65 PolarHBondContact O-N 2.97Å
64	F	26.5	Very low	27	Very low	180 Å²	180	160.3 Å²	160.3	79%	0.789	83%	0.829	S	S	*	*			trans	-58.4	84.1	-178.6	-160.6	-101.1	0	0	0	110.9	S62 L66	S62-F64 PolarHBondContact O-N 2.97Å; S62-F64 VanDerWaalsContact O-N 3.16Å; F64-L66 HydrophobicContact CD1-CD1 4.21Å; F64-L66 HydrophobicContact CD1-CG 3.96Å; F64-L66 HydrophobicContact CE1-CD1 4.1Å; F64-L66 HydrophobicContact CE1-CD2 4.13Å; F64-L66 HydrophobicContact CE1-CG 3.77Å; F64-L66 PolarHBondContact O-N 2.99Å; F64-L66 VanDerWaalsContact O-N 3.14Å
65	Q	25.9	Very low	27.3	Very low	173 Å²	173	156.3 Å²	156.3	81%	0.808	82%	0.821	S	S	*	*			trans	-76.1	95.7	167.8	-81.8	-177.2	-8.8	0	0	108	S63 K67	S63-Q65 VanDerWaalsContact C-N 3.31Å; S63-Q65 PolarHBondContact O-N 2.97Å; Q65-K67 PolarHBondContact O-N 3.41Å
66	L	28.5	Very low	27.8	Very low	136 Å²	136	155 Å²	155	71%	0.712	82%	0.818	S	S	*	*			trans	-55	107.4	163.1	-89	153.7	0	0	0	108.3	F64 L68	F64-L66 HydrophobicContact CD1-CD1 4.21Å; F64-L66 HydrophobicContact CD1-CG 3.96Å; F64-L66 HydrophobicContact CE1-CD1 4.1Å; F64-L66 HydrophobicContact CE1-CD2 4.13Å; F64-L66 HydrophobicContact CE1-CG 3.77Å; F64-L66 PolarHBondContact O-N 2.99Å; F64-L66 VanDerWaalsContact O-N 3.14Å; L66-L68 VanDerWaalsContact C-N 3.25Å; L66-L68 PolarHBondContact O-N 2.99Å
67	K	24.3	Very low	28.7	Very low	208 Å²	208	155.7 Å²	155.7	90%	0.904	82%	0.821	S	S	*	*			trans	-59.5	85.5	170.5	-74.9	177.8	174.6	176.8	0	109.3	Q65 A69	Q65-K67 PolarHBondContact O-N 3.41Å; K67-A69 PolarHBondContact O-N 3Å
68	L	28.9	Very low	29.5	Very low	166 Å²	166	154.1 Å²	154.1	87%	0.869	82%	0.817	S	S	*	*			trans	-76.3	115.2	158.6	-82.5	162.5	0	0	0	107.2	L66 A70	L66-L68 VanDerWaalsContact C-N 3.25Å; L66-L68 PolarHBondContact O-N 2.99Å; L68-A70 PolarHBondContact O-N 3.34Å
69	A	28.8	Very low	30.6	Very low	96 Å²	96	149.6 Å²	149.6	79%	0.793	80%	0.797	S	S	*	*			trans	-47.7	127.2	-178.5	0	0	0	0	0	111.2	K67 K71	K67-A69 PolarHBondContact O-N 3Å; A69-K71 PolarHBondContact O-N 3.5Å
70	A	25.9	Very low	32.3	Very low	106 Å²	106	143.2 Å²	143.2	88%	0.876	77%	0.772	S	S	*	*			trans	-55.6	99.9	178.9	0	0	0	0	0	111.3	L68	L68-A70 PolarHBondContact O-N 3.34Å
71	K	27.9	Very low	34.4	Very low	203 Å²	203	140 Å²	140	88%	0.883	76%	0.761	S	S	*	*			trans	-103.7	117.6	148.1	-87.7	-178.1	175.2	174.4	0	106.6	A69	A69-K71 PolarHBondContact O-N 3.5Å
72	A	29	Very low	36.4	Very low	83 Å²	83	139.8 Å²	139.8	69%	0.686	75%	0.751	S	S	*	*			trans	-43.8	146.1	179	0	0	0	0	0	112.1	K74	A72-K74 PolarHBondContact O-N 3.22Å
73	P	32.3	Very low	38.7	Very low	130 Å²	130	135.7 Å²	135.7	84%	0.844	72%	0.719	S	S	*	*			trans	-66.9	104.9	-170.8	28.7	-32.1	0	0	0	108.4	S75	P73-S75 PolarHBondContact O-N 2.63Å
74	K	30.2	Very low	40.9	Very low	201 Å²	201	135.2 Å²	135.2	87%	0.874	71%	0.707	S	S	*	*			trans	-62	112.9	166.4	-76.9	-173.6	173.1	-172.8	0	106.6	A72	A72-K74 PolarHBondContact O-N 3.22Å
75	S	31.6	Very low	43.3	Very low	95 Å²	95	133.6 Å²	133.6	66%	0.664	70%	0.701	S	S	*	*			trans	-32.5	142.1	165.1	44.1	0	0	0	0	111.8	P73 K77	P73-S75 PolarHBondContact O-N 2.63Å; S75-K77 PolarHBondContact O-N 2.97Å; S75-K77 VanDerWaalsContact O-N 3.17Å
76	E	34.9	Very low	45.6	Very low	187 Å²	187	127.5 Å²	127.5	87%	0.874	67%	0.672	S	S	*	*	S	Bend	trans	-18.7	113.2	171.4	-64.8	177.9	153.7	0	0	111.6	E78	E76-E78 PolarHBondContact O-N 3.15Å
77	K	41.8	Very low	47.8	Very low	200 Å²	200	123.8 Å²	123.8	87%	0.87	65%	0.652	S	S	*	*			trans	-39	105.9	-178.4	-81.1	-178.1	173.5	-177	0	108.9	S75 M79	S75-K77 PolarHBondContact O-N 2.97Å; S75-K77 VanDerWaalsContact O-N 3.17Å; K77-M79 PolarHBondContact O-N 3.33Å; K77-M79 VanDerWaalsContact O-N 3.09Å
78	E	42.2	Very low	50.3	Low	180 Å²	180	120.5 Å²	120.5	84%	0.841	64%	0.638	S	S	*	*			trans	-49.2	121.8	170.9	-74.3	179.4	153.4	0	0	106.3	E76 D80	E76-E78 PolarHBondContact O-N 3.15Å; E78-D80 PolarHBondContact O-N 3.49Å
79	M	47.3	Very low	52.6	Low	92 Å²	92	114.9 Å²	114.9	45%	0.453	62%	0.615	S	S	.	*			trans	-54	134.8	-178.7	-74	-176.4	33.2	0	0	109.3	K77 P81 E84	K77-M79 PolarHBondContact O-N 3.33Å; K77-M79 VanDerWaalsContact O-N 3.09Å; M79-P81 WeakPolarHBondContact O-CD 3.45Å; M79-E84 HydrophobicContact CE-CG 3.5Å; M79-E84 WeakPolarHBondContact CE-OE1 3.43Å
80	D	62.9	Low	54.9	Low	67 Å²	67	110.8 Å²	110.8	36%	0.358	58%	0.58	S	S	.	*			trans	-52.5	105	177.2	178	13.9	0	0	0	109.4	E78 E82 Y83 E84 R306	E78-D80 PolarHBondContact O-N 3.49Å; D80-E82 PolarHBondContact O-N 2.67Å; D80-E82 WeakPolarHBondContact OD1-CB 3.32Å; D80-E82 PolarHBondContact OD1-N 2.88Å; D80-Y83 VanDerWaalsContact O-CB 3.32Å; D80-Y83 WeakPolarHBondContact O-CB 3.08Å; D80-Y83 PolarHBondContact O-N 3.38Å; D80-E84 PolarHBondContact O-N 3.43Å; D80-R306 IonicContact OD2-CZ 2.79Å; D80-R306 IonicContact OD2-NH2 3.95Å; D80-R306 PolarHBondContact OD2-NH2 3.38Å
81	P	69.4	Low	57.3	Low	99 Å²	99	112.2 Å²	112.2	64%	0.643	56%	0.563	S	S	*	*	H	α-helix	trans	-63.6	-30.4	-172.9	23.6	-31	0	0	0	111.1	M79 Y83 E84 E85	M79-P81 WeakPolarHBondContact O-CD 3.45Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3.43Å; P81-E84 PolarHBondContact O-N 3.45Å; P81-E85 WeakPolarHBondContact O-CB 3.26Å; P81-E85 PolarHBondContact O-N 2.68Å
82	E	70.4	Confident	59.5	Low	135 Å²	135	105.5 Å²	105.5	63%	0.631	55%	0.545	S	S	*	.	H	α-helix	trans	-63.9	-35.1	175.6	-165.5	-177.4	169.7	0	0	111.5	D80 K86	D80-E82 PolarHBondContact O-N 2.67Å; D80-E82 WeakPolarHBondContact OD1-CB 3.32Å; D80-E82 PolarHBondContact OD1-N 2.88Å; E82-K86 VanDerWaalsContact O-CB 3.23Å; E82-K86 WeakPolarHBondContact O-CB 3.48Å; E82-K86 PolarHBondContact O-N 3.24Å; E82-K86 VanDerWaalsContact O-N 3.1Å
83	Y	74.6	Confident	61.7	Low	20 Å²	20	105.1 Å²	105.1	8%	0.078	53%	0.528	C	S	.	.	H	α-helix	trans	-66.2	-45.7	175.1	-179.3	-83.4	0	0	0	112	D80 P81 M87 H304 T333	D80-Y83 VanDerWaalsContact O-CB 3.32Å; D80-Y83 WeakPolarHBondContact O-CB 3.08Å; D80-Y83 PolarHBondContact O-N 3.38Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3.43Å; Y83-M87 HydrophobicContact CD1-CG 4.1Å; Y83-M87 HydrophobicContact CE1-CG 3.69Å; Y83-M87 VanDerWaalsContact O-CG 3.31Å; Y83-M87 WeakPolarHBondContact O-CG 3.44Å; Y83-M87 PolarHBondContact O-N 2.86Å; Y83-H304 HydrophobicContact CD2-CB 3.97Å; Y83-H304 AromaticContact CE1-CD2 3.94Å; Y83-H304 HydrophobicContact CE2-CB 3.72Å; Y83-T333 HydrophobicContact CD2-CG2 3.92Å; Y83-T333 HydrophobicContact CE2-CG2 3.34Å
84	E	75.3	Confident	63.8	Low	83 Å²	83	99.7 Å²	99.7	39%	0.388	49%	0.49	S	S	.	.	H	α-helix	trans	-66.4	-44.3	179.1	-81.6	-147.1	159.2	0	0	112.7	M79 D80 P81 K86 M87 K88	M79-E84 HydrophobicContact CE-CG 3.5Å; M79-E84 WeakPolarHBondContact CE-OE1 3.43Å; D80-E84 PolarHBondContact O-N 3.43Å; P81-E84 PolarHBondContact O-N 3.45Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 2.74Å; E84-M87 PolarHBondContact O-N 3.23Å; E84-K88 WeakPolarHBondContact O-CG 3.4Å; E84-K88 PolarHBondContact O-N 2.78Å; E84-K88 IonicContact OE2-NZ 3.44Å; E84-K88 PolarHBondContact OE2-NZ 3.34Å
85	E	76.9	Confident	65.7	Low	145 Å²	145	95 Å²	95	68%	0.678	47%	0.47	S	S	*	.	H	α-helix	trans	-61.1	-45.1	-179.9	-171.3	175.8	179.1	0	0	110.4	P81 M87 K88 A89	P81-E85 WeakPolarHBondContact O-CB 3.26Å; P81-E85 PolarHBondContact O-N 2.68Å; E85-M87 PolarHBondContact O-N 3.41Å; E85-K88 PolarHBondContact O-N 2.91Å; E85-A89 WeakPolarHBondContact O-CB 3.5Å; E85-A89 PolarHBondContact O-N 3.3Å
86	K	74.1	Confident	67.7	Low	46 Å²	46	95.4 Å²	95.4	20%	0.2	46%	0.462	C	S	.	.	H	α-helix	trans	-61.4	-43.8	174.8	-173.8	171.8	-175.5	165.7	0	112.7	E82 E84 K88 A89 D90 Y198 I231	E82-K86 VanDerWaalsContact O-CB 3.23Å; E82-K86 WeakPolarHBondContact O-CB 3.48Å; E82-K86 PolarHBondContact O-N 3.24Å; E82-K86 VanDerWaalsContact O-N 3.1Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 2.74Å; K86-K88 VanDerWaalsContact C-N 3.28Å; K86-K88 PolarHBondContact O-N 3.41Å; K86-A89 PolarHBondContact O-N 3.42Å; K86-D90 WeakPolarHBondContact O-CB 3.36Å; K86-D90 PolarHBondContact O-N 3.43Å; K86-Y198 PolarHBondContact NZ-OH 3.41Å; K86-I231 VanDerWaalsContact NZ-CD1 3.26Å
87	M	76.1	Confident	69.5	Low	58 Å²	58	88.2 Å²	88.2	29%	0.286	43%	0.428	S	S	.	.	H	α-helix	trans	-59.4	-39	176.8	-79.2	-65.9	-65.3	0	0	112.5	Y83 E84 E85 R91 T333	Y83-M87 HydrophobicContact CD1-CG 4.1Å; Y83-M87 HydrophobicContact CE1-CG 3.69Å; Y83-M87 VanDerWaalsContact O-CG 3.31Å; Y83-M87 WeakPolarHBondContact O-CG 3.44Å; Y83-M87 PolarHBondContact O-N 2.86Å; E84-M87 PolarHBondContact O-N 3.23Å; E85-M87 PolarHBondContact O-N 3.41Å; M87-R91 WeakPolarHBondContact O-CB 3.4Å; M87-R91 PolarHBondContact O-N 3.33Å; M87-T333 HydrophobicContact CG-CG2 4.32Å; M87-T333 HydrophobicContact SD-CG2 3.79Å
88	K	76.1	Confident	70.8	Confident	139 Å²	139	78.9 Å²	78.9	60%	0.604	39%	0.387	S	S	*	.	H	α-helix	trans	-68.3	-45.2	176	-70.9	171.1	-172.8	158.6	0	111.3	E84 E85 K86 R91 A92	E84-K88 WeakPolarHBondContact O-CG 3.4Å; E84-K88 PolarHBondContact O-N 2.78Å; E84-K88 IonicContact OE2-NZ 3.44Å; E84-K88 PolarHBondContact OE2-NZ 3.34Å; E85-K88 PolarHBondContact O-N 2.91Å; K86-K88 VanDerWaalsContact C-N 3.28Å; K86-K88 PolarHBondContact O-N 3.41Å; K88-R91 PolarHBondContact O-N 3.11Å; K88-A92 PolarHBondContact O-N 2.96Å; K88-A92 VanDerWaalsContact O-N 3.15Å
89	A	76.9	Confident	72	Confident	47 Å²	47	73.8 Å²	73.8	39%	0.388	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-45.5	177.7	0	0	0	0	0	112.1	E85 K86 R91 A92 K93	E85-A89 WeakPolarHBondContact O-CB 3.5Å; E85-A89 PolarHBondContact O-N 3.3Å; K86-A89 PolarHBondContact O-N 3.42Å; A89-R91 VanDerWaalsContact C-N 3.31Å; A89-R91 PolarHBondContact O-N 3.36Å; A89-A92 PolarHBondContact O-N 2.83Å; A89-K93 PolarHBondContact O-N 3.45Å
90	D	77.9	Confident	73	Confident	10 Å²	10	76.8 Å²	76.8	5%	0.053	38%	0.376	C	S	.	.	H	α-helix	trans	-64.1	-37	177.7	-75.4	-7.5	0	0	0	111.2	K86 A92 R94	K86-D90 WeakPolarHBondContact O-CB 3.36Å; K86-D90 PolarHBondContact O-N 3.43Å; D90-A92 PolarHBondContact O-N 3.01Å; D90-R94 WeakPolarHBondContact O-CB 3.24Å; D90-R94 PolarHBondContact O-N 3.06Å
91	R	75.1	Confident	73.1	Confident	137 Å²	137	78 Å²	78	52%	0.517	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-41.8	175.2	-164.8	-176.1	-124.5	-163.7	3.4	111.6	M87 K88 A89 F95 D360	M87-R91 WeakPolarHBondContact O-CB 3.4Å; M87-R91 PolarHBondContact O-N 3.33Å; K88-R91 PolarHBondContact O-N 3.11Å; A89-R91 VanDerWaalsContact C-N 3.31Å; A89-R91 PolarHBondContact O-N 3.36Å; R91-F95 VanDerWaalsContact O-CB 3.28Å; R91-F95 WeakPolarHBondContact O-CB 3.43Å; R91-F95 PolarHBondContact O-N 3.2Å; R91-D360 IonicContact CZ-OD1 2.76Å; R91-D360 IonicContact CZ-OD2 3.79Å; R91-D360 IonicContact NE-OD1 2.88Å; R91-D360 IonicContact NE-OD2 2.71Å; R91-D360 PolarHBondContact NE-OD2 2.76Å; R91-D360 IonicContact NH2-OD1 2.68Å; R91-D360 PolarHBondContact NH2-OD1 2.64Å; R91-D360 IonicContact NH2-OD2 3.71Å; R91-D360 PolarHBondContact NH2-OD2 2.93Å
92	A	73.6	Confident	72.4	Confident	62 Å²	62	74.5 Å²	74.5	51%	0.512	36%	0.356	S	S	.	.	H	α-helix	trans	-67.8	-47.6	177.4	0	0	0	0	0	112.1	K88 A89 D90 R94 F95 E96	K88-A92 PolarHBondContact O-N 2.96Å; K88-A92 VanDerWaalsContact O-N 3.15Å; A89-A92 PolarHBondContact O-N 2.83Å; D90-A92 PolarHBondContact O-N 3.01Å; A92-R94 PolarHBondContact O-N 2.94Å; A92-F95 WeakPolarHBondContact O-CB 3.38Å; A92-F95 PolarHBondContact O-N 3.5Å; A92-E96 PolarHBondContact O-N 3.44Å
93	K	76.6	Confident	71.8	Confident	75 Å²	75	77 Å²	77	33%	0.326	37%	0.368	S	S	.	.	H	α-helix	trans	-60.1	-45	175.8	-76.4	-175.8	177.7	-178.8	0	112.1	A89 F95 E96 F97	A89-K93 PolarHBondContact O-N 3.45Å; K93-F95 VanDerWaalsContact C-N 3.32Å; K93-F95 PolarHBondContact O-N 3.27Å; K93-E96 PolarHBondContact O-N 3.42Å; K93-F97 WeakPolarHBondContact O-CB 3.39Å; K93-F97 PolarHBondContact O-N 3.2Å
94	R	76.3	Confident	70.9	Confident	16 Å²	16	78.4 Å²	78.4	6%	0.06	38%	0.376	C	S	.	.	H	α-helix	trans	-57.8	-48.5	175.5	-179.4	-168.4	-57.2	138.7	6.2	110	D90 A92 E96 F97 L98 N200 G201 V202 L358 D360	D90-R94 WeakPolarHBondContact O-CB 3.24Å; D90-R94 PolarHBondContact O-N 3.06Å; A92-R94 PolarHBondContact O-N 2.94Å; R94-E96 PolarHBondContact O-N 3.45Å; R94-F97 PolarHBondContact O-N 2.73Å; R94-L98 HydrophobicContact CG-CD1 3.95Å; R94-L98 HydrophobicContact CG-CG 4.23Å; R94-L98 WeakPolarHBondContact O-CB 3.01Å; R94-L98 WeakPolarHBondContact O-CG 3.47Å; R94-L98 PolarHBondContact O-N 2.6Å; R94-N200 VanDerWaalsContact CA-O 3.26Å; R94-N200 WeakPolarHBondContact CA-O 3.38Å; R94-N200 PolarHBondContact N-O 2.89Å; R94-G201 PolarHBondContact NE-O 2.81Å; R94-G201 PolarHBondContact NH2-O 3.05Å; R94-V202 HydrophobicContact CB-CG2 4.35Å; R94-V202 HydrophobicContact CG-CG2 4Å; R94-L358 HydrophobicContact CG-CD2 4.3Å; R94-D360 IonicContact NH1-OD2 3.75Å; R94-D360 PolarHBondContact NH1-OD2 3.45Å
95	F	69.6	Low	70	Confident	101 Å²	101	74.5 Å²	74.5	44%	0.443	36%	0.358	S	S	.	.	H	α-helix	trans	-57.1	-47.3	179	-168.1	-96.2	0	0	0	112.3	R91 A92 K93 L98 L99 I109	R91-F95 VanDerWaalsContact O-CB 3.28Å; R91-F95 WeakPolarHBondContact O-CB 3.43Å; R91-F95 PolarHBondContact O-N 3.2Å; A92-F95 WeakPolarHBondContact O-CB 3.38Å; A92-F95 PolarHBondContact O-N 3.5Å; K93-F95 VanDerWaalsContact C-N 3.32Å; K93-F95 PolarHBondContact O-N 3.27Å; F95-L98 PolarHBondContact O-N 2.85Å; F95-L99 HydrophobicContact CD1-CD1 3.43Å; F95-L99 VanDerWaalsContact CD1-CD1 3.43Å; F95-L99 HydrophobicContact CE1-CD1 3.22Å; F95-L99 HydrophobicContact CG-CD1 4.31Å; F95-L99 HydrophobicContact CZ-CD1 3.99Å; F95-L99 WeakPolarHBondContact O-CB 3.31Å; F95-L99 PolarHBondContact O-N 3.34Å; F95-I109 HydrophobicContact CD2-CD1 4.37Å; F95-I109 HydrophobicContact CD2-CG2 4.28Å; F95-I109 HydrophobicContact CE2-CB 4.44Å; F95-I109 HydrophobicContact CE2-CD1 4.17Å; F95-I109 HydrophobicContact CE2-CG2 3.18Å; F95-I109 HydrophobicContact CZ-CG2 3.4Å; F95-I109 VanDerWaalsContact CZ-CG2 3.4Å
96	E	73.6	Confident	69.1	Low	105 Å²	105	69 Å²	69	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-63.6	-44.2	177.1	-168	-170.1	159.4	0	0	112.1	A92 K93 R94 L98 L99 K100	A92-E96 PolarHBondContact O-N 3.44Å; K93-E96 PolarHBondContact O-N 3.42Å; R94-E96 PolarHBondContact O-N 3.45Å; E96-L98 PolarHBondContact O-N 2.77Å; E96-L99 PolarHBondContact O-N 3.49Å; E96-K100 WeakPolarHBondContact O-CG 3.32Å; E96-K100 PolarHBondContact O-N 2.99Å; E96-K100 VanDerWaalsContact O-N 3.08Å; E96-K100 VanDerWaalsContact OE1-CE 3.32Å; E96-K100 WeakPolarHBondContact OE1-CE 3.4Å; E96-K100 IonicContact OE1-NZ 3.91Å; E96-K100 PolarHBondContact OE1-NZ 2.64Å
97	F	71.7	Confident	68.3	Low	36 Å²	36	72.3 Å²	72.3	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-62.2	-43.6	177.7	-178	-95	0	0	0	111.9	K93 R94 K100 Q101 N200 V202	K93-F97 WeakPolarHBondContact O-CB 3.39Å; K93-F97 PolarHBondContact O-N 3.2Å; R94-F97 PolarHBondContact O-N 2.73Å; F97-K100 PolarHBondContact O-N 2.93Å; F97-Q101 HydrophobicContact CD1-CG 4.11Å; F97-Q101 HydrophobicContact CE1-CG 3.71Å; F97-Q101 HydrophobicContact CE2-CG 4.33Å; F97-Q101 HydrophobicContact CZ-CG 3.83Å; F97-Q101 WeakPolarHBondContact O-CG 3.16Å; F97-Q101 PolarHBondContact O-N 2.93Å; F97-Q101 VanDerWaalsContact O-N 3.09Å; F97-N200 HydrophobicContact CB-CB 4.2Å; F97-N200 HydrophobicContact CD2-CB 4.01Å; F97-N200 HydrophobicContact CG-CB 3.98Å; F97-V202 HydrophobicContact CD1-CG2 3.65Å; F97-V202 HydrophobicContact CE1-CG2 4.19Å; F97-V202 HydrophobicContact CG-CG2 4.26Å
98	L	70.2	Confident	67.3	Low	3 Å²	3	70.8 Å²	70.8	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-43.9	176.8	-70.3	-179	0	0	0	111.9	R94 F95 E96 K100 Q101 T102 F105 L358 F394	R94-L98 HydrophobicContact CG-CD1 3.95Å; R94-L98 HydrophobicContact CG-CG 4.23Å; R94-L98 WeakPolarHBondContact O-CB 3.01Å; R94-L98 WeakPolarHBondContact O-CG 3.47Å; R94-L98 PolarHBondContact O-N 2.6Å; F95-L98 PolarHBondContact O-N 2.85Å; E96-L98 PolarHBondContact O-N 2.77Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.35Å; L98-Q101 PolarHBondContact O-N 2.94Å; L98-T102 PolarHBondContact O-N 3.3Å; L98-F105 HydrophobicContact CB-CD2 4.26Å; L98-F105 HydrophobicContact CB-CG 4.22Å; L98-F105 HydrophobicContact CD2-CD2 4.35Å; L98-F105 HydrophobicContact CD2-CE1 4.16Å; L98-F105 HydrophobicContact CD2-CE2 3.96Å; L98-F105 HydrophobicContact CD2-CZ 3.87Å; L98-F105 VanDerWaalsContact O-CD2 3.25Å; L98-F105 WeakPolarHBondContact O-CD2 3.5Å; L98-L358 HydrophobicContact CD1-CD1 4.18Å; L98-L358 HydrophobicContact CD1-CD2 4.07Å; L98-F394 HydrophobicContact CD2-CE1 3.45Å; L98-F394 VanDerWaalsContact CD2-CE1 3.45Å; L98-F394 HydrophobicContact CD2-CE2 4.4Å; L98-F394 HydrophobicContact CD2-CZ 3.17Å
99	L	67	Low	66.3	Low	73 Å²	73	64.7 Å²	64.7	38%	0.382	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-36.9	176.5	-90.6	153.6	0	0	0	112.7	F95 E96 A106	F95-L99 HydrophobicContact CD1-CD1 3.43Å; F95-L99 VanDerWaalsContact CD1-CD1 3.43Å; F95-L99 HydrophobicContact CE1-CD1 3.22Å; F95-L99 HydrophobicContact CG-CD1 4.31Å; F95-L99 HydrophobicContact CZ-CD1 3.99Å; F95-L99 WeakPolarHBondContact O-CB 3.31Å; F95-L99 PolarHBondContact O-N 3.34Å; E96-L99 PolarHBondContact O-N 3.49Å; L99-A106 HydrophobicContact CD2-CB 4.11Å
100	K	68.9	Low	65.1	Low	155 Å²	155	69.3 Å²	69.3	67%	0.674	33%	0.333	S	S	*	.	H	α-helix	trans	-73.6	-34.2	178.1	-73.9	179.5	-174.1	168.7	0	113.6	E96 F97 L98	E96-K100 WeakPolarHBondContact O-CG 3.32Å; E96-K100 PolarHBondContact O-N 2.99Å; E96-K100 VanDerWaalsContact O-N 3.08Å; E96-K100 VanDerWaalsContact OE1-CE 3.32Å; E96-K100 WeakPolarHBondContact OE1-CE 3.4Å; E96-K100 IonicContact OE1-NZ 3.91Å; E96-K100 PolarHBondContact OE1-NZ 2.64Å; F97-K100 PolarHBondContact O-N 2.93Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.35Å
101	Q	64.6	Low	63.6	Low	94 Å²	94	72.2 Å²	72.2	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-73.6	-28.1	-175.2	-76.9	-82.7	-26.6	0	0	112.9	F97 L98 P393	F97-Q101 HydrophobicContact CD1-CG 4.11Å; F97-Q101 HydrophobicContact CE1-CG 3.71Å; F97-Q101 HydrophobicContact CE2-CG 4.33Å; F97-Q101 HydrophobicContact CZ-CG 3.83Å; F97-Q101 WeakPolarHBondContact O-CG 3.16Å; F97-Q101 PolarHBondContact O-N 2.93Å; F97-Q101 VanDerWaalsContact O-N 3.09Å; L98-Q101 PolarHBondContact O-N 2.94Å; Q101-P393 HydrophobicContact CB-CG 4.27Å; Q101-P393 HydrophobicContact CG-CB 4.43Å
102	T	55.8	Low	62.1	Low	25 Å²	25	68.2 Å²	68.2	15%	0.153	35%	0.345	C	S	.	.			trans	-158.4	124.4	-174.4	0.4	0	0	0	0	112.7	L98 L104 F105	L98-T102 PolarHBondContact O-N 3.3Å; T102-L104 HydrophobicContact CG2-CB 4.08Å; T102-L104 HydrophobicContact CG2-CD1 3.91Å; T102-L104 HydrophobicContact CG2-CG 4.45Å; T102-L104 PolarHBondContact O-N 2.9Å; T102-F105 PolarHBondContact O-N 3.09Å; T102-F105 WeakPolarHBondContact OG1-CD2 3.4Å; T102-F105 WeakPolarHBondContact OG1-CE2 3.5Å
103	E	57.8	Low	60.7	Low	188 Å²	188	69.4 Å²	69.4	88%	0.879	36%	0.355	S	S	*	.	H	α-helix	trans	-52.4	-28.5	166.3	-66.1	-175.6	169.7	0	0	111.7	F105 A106	E103-F105 VanDerWaalsContact C-N 3.35Å; E103-F105 PolarHBondContact O-N 2.78Å; E103-A106 WeakPolarHBondContact O-CB 3.31Å; E103-A106 PolarHBondContact O-N 3.43Å
104	L	54.6	Low	59	Low	48 Å²	48	74 Å²	74	25%	0.251	38%	0.377	S	S	.	.	H	α-helix	trans	-58.9	-36.6	175.8	-75.8	155.3	0	0	0	113.6	T102 A106 H107 F108 R386 A389 V390	T102-L104 HydrophobicContact CG2-CB 4.08Å; T102-L104 HydrophobicContact CG2-CD1 3.91Å; T102-L104 HydrophobicContact CG2-CG 4.45Å; T102-L104 PolarHBondContact O-N 2.9Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 3.2Å; L104-H107 WeakPolarHBondContact O-CB 3.39Å; L104-H107 PolarHBondContact O-N 3Å; L104-F108 WeakPolarHBondContact O-CD2 3Å; L104-R386 HydrophobicContact CD2-CB 3.99Å; L104-R386 HydrophobicContact CD2-CG 3.67Å; L104-A389 HydrophobicContact CD1-CB 4.19Å; L104-V390 HydrophobicContact CB-CG2 4.13Å
105	F	56.9	Low	57	Low	1 Å²	1	81 Å²	81	0%	0.004	41%	0.409	C	S	.	.	H	α-helix	trans	-68.2	-32.5	179.8	-82.2	-69.2	0	0	0	112.5	L98 T102 E103 H107 F108 I109 L358 V390 F394	L98-F105 HydrophobicContact CB-CD2 4.26Å; L98-F105 HydrophobicContact CB-CG 4.22Å; L98-F105 HydrophobicContact CD2-CD2 4.35Å; L98-F105 HydrophobicContact CD2-CE1 4.16Å; L98-F105 HydrophobicContact CD2-CE2 3.96Å; L98-F105 HydrophobicContact CD2-CZ 3.87Å; L98-F105 VanDerWaalsContact O-CD2 3.25Å; L98-F105 WeakPolarHBondContact O-CD2 3.5Å; T102-F105 PolarHBondContact O-N 3.09Å; T102-F105 WeakPolarHBondContact OG1-CD2 3.4Å; T102-F105 WeakPolarHBondContact OG1-CE2 3.5Å; E103-F105 VanDerWaalsContact C-N 3.35Å; E103-F105 PolarHBondContact O-N 2.78Å; F105-H107 PolarHBondContact O-N 3.5Å; F105-F108 PolarHBondContact O-N 2.87Å; F105-F108 VanDerWaalsContact O-N 3.08Å; F105-I109 HydrophobicContact CB-CD1 3.97Å; F105-I109 VanDerWaalsContact O-CB 3.32Å; F105-I109 WeakPolarHBondContact O-CB 3.28Å; F105-I109 WeakPolarHBondContact O-CD1 3.45Å; F105-I109 WeakPolarHBondContact O-CG1 3.48Å; F105-I109 PolarHBondContact O-N 2.98Å; F105-L358 HydrophobicContact CE1-CD1 4.37Å; F105-V390 HydrophobicContact CD1-CG1 4.37Å; F105-V390 HydrophobicContact CE1-CB 4.4Å; F105-V390 HydrophobicContact CE1-CG1 3.39Å; F105-V390 HydrophobicContact CE1-CG2 4.45Å; F105-V390 HydrophobicContact CE2-CG1 4.23Å; F105-V390 HydrophobicContact CZ-CB 4Å; F105-V390 HydrophobicContact CZ-CG1 3.27Å; F105-V390 HydrophobicContact CZ-CG2 4.26Å; F105-F394 HydrophobicContact CE1-CE2 4.49Å; F105-F394 HydrophobicContact CE1-CZ 4.39Å; F105-F394 HydrophobicContact CE2-CZ 4.1Å; F105-F394 AromaticContact CZ-CE2 3.69Å; F105-F394 HydrophobicContact CZ-CE2 3.69Å; F105-F394 AromaticContact CZ-CZ 3.55Å; F105-F394 HydrophobicContact CZ-CZ 3.55Å
106	A	58.3	Low	55.2	Low	30 Å²	30	81.1 Å²	81.1	25%	0.248	42%	0.422	C	S	.	.	H	α-helix	trans	-56.3	-36.1	176.7	0	0	0	0	0	111.1	L99 E103 L104 Q110	L99-A106 HydrophobicContact CD2-CB 4.11Å; E103-A106 WeakPolarHBondContact O-CB 3.31Å; E103-A106 PolarHBondContact O-N 3.43Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 3.2Å; A106-Q110 WeakPolarHBondContact O-CG 3.34Å; A106-Q110 PolarHBondContact O-N 2.68Å
107	H	56.3	Low	53.1	Low	115 Å²	115	81.4 Å²	81.4	53%	0.532	43%	0.433	S	S	.	.	H	α-helix	trans	-69	-39.5	177.4	-165.3	-75.3	0	0	0	113.2	L104 F105 P111 W371	L104-H107 WeakPolarHBondContact O-CB 3.39Å; L104-H107 PolarHBondContact O-N 3Å; F105-H107 PolarHBondContact O-N 3.5Å; H107-P111 WeakPolarHBondContact O-CD 3.32Å; H107-W371 AromaticContact CE1-CZ2 3.62Å; H107-W371 AromaticContact ND1-CZ2 3.6Å
108	F	56.2	Low	51	Low	27 Å²	27	86.9 Å²	86.9	12%	0.118	47%	0.469	C	S	.	.	H	α-helix	trans	-76.1	-27.8	179.4	-69.9	-73.4	0	0	0	113.2	L104 F105 W371 L387 V390	L104-F108 WeakPolarHBondContact O-CD2 3Å; F105-F108 PolarHBondContact O-N 2.87Å; F105-F108 VanDerWaalsContact O-N 3.08Å; F108-W371 HydrophobicContact CD1-CH2 4.28Å; F108-W371 HydrophobicContact CD1-CZ2 4.41Å; F108-W371 HydrophobicContact CE1-CE3 4.17Å; F108-W371 AromaticContact CE1-CH2 3.4Å; F108-W371 HydrophobicContact CE1-CH2 3.4Å; F108-W371 VanDerWaalsContact CE1-CH2 3.4Å; F108-W371 AromaticContact CE1-CZ2 3.95Å; F108-W371 HydrophobicContact CE1-CZ2 3.95Å; F108-W371 AromaticContact CE1-CZ3 3.52Å; F108-W371 HydrophobicContact CE1-CZ3 3.52Å; F108-W371 AromaticContact CZ-CH2 3.72Å; F108-W371 HydrophobicContact CZ-CH2 3.72Å; F108-W371 AromaticContact CZ-CZ3 3.96Å; F108-W371 HydrophobicContact CZ-CZ3 3.96Å; F108-L387 HydrophobicContact CZ-CD2 4.16Å; F108-V390 HydrophobicContact CD2-CG2 4.43Å; F108-V390 HydrophobicContact CE2-CG2 4Å
109	I	54.3	Low	48.9	Very low	10 Å²	10	91.4 Å²	91.4	5%	0.051	50%	0.501	C	S	.	.	H	α-helix	trans	-86.3	-34.9	-171.6	-71.9	172.1	0	0	0	112.8	F95 F105 P111 S112	F95-I109 HydrophobicContact CD2-CD1 4.37Å; F95-I109 HydrophobicContact CD2-CG2 4.28Å; F95-I109 HydrophobicContact CE2-CB 4.44Å; F95-I109 HydrophobicContact CE2-CD1 4.17Å; F95-I109 HydrophobicContact CE2-CG2 3.18Å; F95-I109 HydrophobicContact CZ-CG2 3.4Å; F95-I109 VanDerWaalsContact CZ-CG2 3.4Å; F105-I109 HydrophobicContact CB-CD1 3.97Å; F105-I109 VanDerWaalsContact O-CB 3.32Å; F105-I109 WeakPolarHBondContact O-CB 3.28Å; F105-I109 WeakPolarHBondContact O-CD1 3.45Å; F105-I109 WeakPolarHBondContact O-CG1 3.48Å; F105-I109 PolarHBondContact O-N 2.98Å; I109-P111 VanDerWaalsContact C-CD 3.49Å; I109-S112 PolarHBondContact O-N 3.43Å; I109-S112 PolarHBondContact O-OG 2.87Å
110	Q	51.6	Low	47.4	Very low	145 Å²	145	94.2 Å²	94.2	68%	0.678	52%	0.524	S	S	*	.	H	α-helix	trans	-56.3	-38.9	-176.4	-79.8	177.5	14.4	0	0	114.7	A106	A106-Q110 WeakPolarHBondContact O-CG 3.34Å; A106-Q110 PolarHBondContact O-N 2.68Å
111	P	45.9	Very low	45.3	Very low	70 Å²	70	94.2 Å²	94.2	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-78	-37.2	-179.1	-16.8	31.9	0	0	0	114.1	H107 I109 A113 Q114	H107-P111 WeakPolarHBondContact O-CD 3.32Å; I109-P111 VanDerWaalsContact C-CD 3.49Å; P111-A113 VanDerWaalsContact C-N 3.32Å; P111-A113 PolarHBondContact O-N 3.24Å; P111-Q114 PolarHBondContact O-N 3.35Å; P111-Q114 VanDerWaalsContact O-N 3.14Å
112	S	43.4	Very low	43.4	Very low	53 Å²	53	97 Å²	97	37%	0.371	55%	0.548	S	S	.	.	H	α-helix	trans	-70.6	-27.8	-173.4	54.8	0	0	0	0	112.7	I109 Q114	I109-S112 PolarHBondContact O-N 3.43Å; I109-S112 PolarHBondContact O-OG 2.87Å; S112-Q114 PolarHBondContact O-N 3.23Å
113	A	44.8	Very low	42	Very low	88 Å²	88	104.1 Å²	104.1	73%	0.727	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-18.9	172.7	0	0	0	0	0	113.8	P111	P111-A113 VanDerWaalsContact C-N 3.32Å; P111-A113 PolarHBondContact O-N 3.24Å
114	Q	41.8	Very low	40.4	Very low	170 Å²	170	105.6 Å²	105.6	79%	0.794	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-18	-175.6	-66.7	-173.3	-9.3	0	0	114.4	P111 S112	P111-Q114 PolarHBondContact O-N 3.35Å; P111-Q114 VanDerWaalsContact O-N 3.14Å; S112-Q114 PolarHBondContact O-N 3.23Å
115	K	32.7	Very low	39.1	Very low	165 Å²	165	110.8 Å²	110.8	72%	0.717	61%	0.612	S	S	*	*			trans	-105.3	102.1	-175.7	-73.5	-177.7	176.1	179.8	0	111.3
116	S	31.8	Very low	37.6	Very low	103 Å²	103	114.2 Å²	114.2	72%	0.72	65%	0.648	S	S	*	*			trans	-66.9	136.2	168.5	52.1	0	0	0	0	111	T118	S116-T118 PolarHBondContact O-N 3.46Å
117	P	31	Very low	36.1	Very low	111 Å²	111	123 Å²	123	72%	0.721	68%	0.675	S	S	*	*			trans	-70	127	-175.2	26.6	-31.3	0	0	0	111.6	S119	P117-S119 PolarHBondContact O-N 2.92Å; P117-S119 VanDerWaalsContact O-N 3.16Å
118	T	27.3	Very low	34.9	Very low	150 Å²	150	122.6 Å²	122.6	92%	0.92	68%	0.683	S	S	*	*			trans	-75.8	89	177.6	33.5	0	0	0	0	111.4	S116	S116-T118 PolarHBondContact O-N 3.46Å
119	S	26.3	Very low	33.5	Very low	98 Å²	98	133 Å²	133	69%	0.685	72%	0.721	S	S	*	*			trans	-148.4	114.9	157	48.6	0	0	0	0	110	P117 L121	P117-S119 PolarHBondContact O-N 2.92Å; P117-S119 VanDerWaalsContact O-N 3.16Å; S119-L121 PolarHBondContact O-N 3.49Å; S119-L121 VanDerWaalsContact O-N 3.08Å
120	P	35.7	Very low	32.4	Very low	132 Å²	132	139.1 Å²	139.1	86%	0.857	75%	0.752	S	S	*	*			trans	-87.4	77.8	-171.8	34	-32.2	0	0	0	110
121	L	25.3	Very low	31.4	Very low	155 Å²	155	141.3 Å²	141.3	81%	0.812	76%	0.76	S	S	*	*	S	Bend	trans	-154.1	96.8	166.1	-100.1	153	0	0	0	109.9	S119	S119-L121 PolarHBondContact O-N 3.49Å; S119-L121 VanDerWaalsContact O-N 3.08Å
122	N	23.8	Very low	30.6	Very low	154 Å²	154	147 Å²	147	82%	0.824	78%	0.777	S	S	*	*			trans	41.7	78.8	154.9	-64.4	-18.4	0	0	0	118.6
123	M	25.6	Very low	30.1	Very low	173 Å²	173	150 Å²	150	85%	0.852	79%	0.789	S	S	*	*			trans	-137.7	115.7	143	-74.2	-165.5	75.7	0	0	109.4	L125	M123-L125 PolarHBondContact O-N 3.44Å
124	K	24.1	Very low	29.8	Very low	219 Å²	219	153.6 Å²	153.6	95%	0.952	79%	0.791	S	S	*	*			trans	-59.9	97.6	168.7	-89.2	177.3	171.7	174.3	0	108.1	G126	K124-G126 PolarHBondContact O-N 2.87Å
125	L	28.8	Very low	29.4	Very low	157 Å²	157	155 Å²	155	82%	0.822	79%	0.794	S	S	*	*			trans	-70.3	101.6	170.8	-130.2	78.2	0	0	0	107.8	M123 R127	M123-L125 PolarHBondContact O-N 3.44Å; L125-R127 PolarHBondContact O-N 3.24Å
126	G	25.1	Very low	29.7	Very low	73 Å²	73	153.8 Å²	153.8	75%	0.753	79%	0.791	S	S	*	*			trans	-63.1	87.9	167.7	0	0	0	0	0	109.2	K124 P128	K124-G126 PolarHBondContact O-N 2.87Å; G126-P128 WeakPolarHBondContact O-CD 3.38Å
127	R	26	Very low	30.1	Very low	215 Å²	215	152.4 Å²	152.4	81%	0.811	78%	0.782	S	S	*	*			trans	-60.7	112.4	167.8	-161.2	179.7	-164	176.3	5.9	106.6	L125 R129	L125-R127 PolarHBondContact O-N 3.24Å; R127-R129 PolarHBondContact O-N 3.44Å
128	P	32	Very low	30.4	Very low	107 Å²	107	154.2 Å²	154.2	70%	0.695	78%	0.784	S	S	*	*			trans	-59.3	129.8	162.9	-9.8	25.8	0	0	0	105.1	G126 I130	G126-P128 WeakPolarHBondContact O-CD 3.38Å; P128-I130 VanDerWaalsContact C-N 3.25Å; P128-I130 PolarHBondContact O-N 2.9Å
129	R	27.1	Very low	30.9	Very low	245 Å²	245	154.3 Å²	154.3	93%	0.925	78%	0.778	S	S	*	*			trans	-56.9	95.5	174.8	-76	175.8	171.8	162.9	-3.7	107.4	R127 K131	R127-R129 PolarHBondContact O-N 3.44Å; R129-K131 VanDerWaalsContact C-N 3.29Å; R129-K131 PolarHBondContact O-N 3.01Å
130	I	31	Very low	31.2	Very low	138 Å²	138	154 Å²	154	71%	0.708	78%	0.776	S	S	*	*			trans	-61.8	101.3	165	-66.2	166.1	0	0	0	103.8	P128 K132	P128-I130 VanDerWaalsContact C-N 3.25Å; P128-I130 PolarHBondContact O-N 2.9Å; I130-K132 VanDerWaalsContact C-N 3.3Å; I130-K132 PolarHBondContact O-N 3.17Å
131	K	29.2	Very low	31.2	Very low	192 Å²	192	152.6 Å²	152.6	84%	0.835	78%	0.775	S	S	*	*			trans	-53.9	104.3	162.2	-83.5	-179.6	172.3	179.3	0	105.1	R129 D133	R129-K131 VanDerWaalsContact C-N 3.29Å; R129-K131 PolarHBondContact O-N 3.01Å; K131-D133 PolarHBondContact O-N 2.7Å; K131-D133 VanDerWaalsContact O-N 3.09Å
132	K	29.7	Very low	31.4	Very low	188 Å²	188	148.1 Å²	148.1	82%	0.817	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	112.9	156.5	-79.5	178.5	170.4	-178.5	0	104.3	I130	I130-K132 VanDerWaalsContact C-N 3.3Å; I130-K132 PolarHBondContact O-N 3.17Å
133	D	33.8	Very low	31.8	Very low	117 Å²	117	147.2 Å²	147.2	63%	0.626	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.2	9.8	150.8	-78.7	-13.8	0	0	0	114.1	K131 K135 Q136	K131-D133 PolarHBondContact O-N 2.7Å; K131-D133 VanDerWaalsContact O-N 3.09Å; D133-K135 VanDerWaalsContact C-N 3.28Å; D133-K135 PolarHBondContact O-N 3.39Å; D133-Q136 PolarHBondContact O-N 3.32Å
134	E	37	Very low	32.4	Very low	164 Å²	164	149.5 Å²	149.5	77%	0.766	76%	0.763	S	S	*	*	H	α-helix	trans	-72.9	-15.6	172.5	-75.4	-170.6	153.8	0	0	114.6	Q136 S137	E134-Q136 VanDerWaalsContact C-N 3.32Å; E134-S137 PolarHBondContact O-OG 3.26Å; E134-S137 VanDerWaalsContact O-OG 3.12Å
135	K	34.8	Very low	33	Very low	199 Å²	199	149.4 Å²	149.4	87%	0.865	76%	0.756	S	S	*	*	H	α-helix	trans	-81.1	-13	175.1	-132.4	-178.6	-176.3	-176.3	0	113.5	D133	D133-K135 VanDerWaalsContact C-N 3.28Å; D133-K135 PolarHBondContact O-N 3.39Å
136	Q	39.2	Very low	33.6	Very low	139 Å²	139	150.7 Å²	150.7	65%	0.65	76%	0.757	S	S	*	*	H	α-helix	trans	-94.6	-22.2	172	-101.2	174.3	-12.7	0	0	112.7	D133 E134 L138 I139	D133-Q136 PolarHBondContact O-N 3.32Å; E134-Q136 VanDerWaalsContact C-N 3.32Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 3.43Å; Q136-I139 PolarHBondContact O-N 3.14Å
137	S	39.1	Very low	34.6	Very low	75 Å²	75	159.2 Å²	159.2	52%	0.524	77%	0.767	S	S	.	*	H	α-helix	trans	-72.1	-23.7	179.6	66.1	0	0	0	0	114.1	E134 I139	E134-S137 PolarHBondContact O-OG 3.26Å; E134-S137 VanDerWaalsContact O-OG 3.12Å; S137-I139 VanDerWaalsContact C-N 3.32Å; S137-I139 PolarHBondContact O-N 3.06Å
138	L	38.7	Very low	36.2	Very low	148 Å²	148	155.2 Å²	155.2	78%	0.775	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-11	178.1	-78.4	166.1	0	0	0	114.6	Q136	Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 3.43Å
139	I	36.3	Very low	37.7	Very low	153 Å²	153	153.9 Å²	153.9	79%	0.785	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-15.1	176.3	-57.7	179.2	0	0	0	111.6	Q136 S137 A141	Q136-I139 PolarHBondContact O-N 3.14Å; S137-I139 VanDerWaalsContact C-N 3.32Å; S137-I139 PolarHBondContact O-N 3.06Å; I139-A141 VanDerWaalsContact C-N 3.33Å; I139-A141 PolarHBondContact O-N 2.91Å
140	S	32.5	Very low	39.9	Very low	92 Å²	92	149.8 Å²	149.8	64%	0.643	73%	0.733	S	S	*	*			trans	-97.2	47.4	179.3	-55	0	0	0	0	112.3	G142	S140-G142 PolarHBondContact O-N 3.27Å
141	A	35.9	Very low	41.9	Very low	101 Å²	101	150.1 Å²	150.1	84%	0.835	73%	0.732	S	S	*	*			trans	-71.5	43.6	176.6	0	0	0	0	0	113.5	I139	I139-A141 VanDerWaalsContact C-N 3.33Å; I139-A141 PolarHBondContact O-N 2.91Å
142	G	30.5	Very low	43.8	Very low	62 Å²	62	146 Å²	146	64%	0.639	72%	0.716	S	S	*	*			trans	-170.8	79.1	177.5	0	0	0	0	0	112.5	S140	S140-G142 PolarHBondContact O-N 3.27Å
143	D	30.7	Very low	45.7	Very low	135 Å²	135	142 Å²	142	72%	0.722	70%	0.7	S	S	*	*			trans	-172.5	97.7	132.6	-134.1	-20.5	0	0	0	111.1	R145	D143-R145 PolarHBondContact O-N 2.75Å
144	Y	38.1	Very low	47.5	Very low	221 Å²	221	140.6 Å²	140.6	87%	0.867	69%	0.692	S	S	*	*			trans	-92.2	66.6	174.6	-79.9	-86.2	0	0	0	110.7
145	R	37.3	Very low	49.3	Very low	217 Å²	217	139 Å²	139	82%	0.819	69%	0.685	S	S	*	*			trans	-135.3	43.3	179	-75.5	-171.8	175.3	178.6	0.9	115	D143	D143-R145 PolarHBondContact O-N 2.75Å
146	H	42.5	Very low	51.1	Low	183 Å²	183	133.2 Å²	133.2	85%	0.847	66%	0.661	S	S	*	*			trans	-106.8	122.9	159	-79	-64.3	0	0	0	110.8	R148	H146-R148 PolarHBondContact O-N 3.48Å
147	R	45.6	Very low	52.5	Low	252 Å²	252	131.1 Å²	131.1	95%	0.951	65%	0.654	S	S	*	*			trans	-65.5	108.7	173	-172.5	178.1	-173.3	174.8	1.5	107.6
148	R	58.9	Low	54	Low	131 Å²	131	132.5 Å²	132.5	49%	0.494	65%	0.654	S	S	.	*			trans	-64.5	151.1	-178.8	-66.6	176.9	177.7	-168.2	-8.5	110.8	H146 E153 E156	H146-R148 PolarHBondContact O-N 3.48Å; R148-E153 HydrophobicContact CB-CG 4.32Å; R148-E156 IonicContact CZ-OE2 3.44Å; R148-E156 IonicContact NH1-OE2 2.71Å; R148-E156 PolarHBondContact NH1-OE2 3.36Å
149	T	63.4	Low	55.3	Low	80 Å²	80	127.5 Å²	127.5	49%	0.491	63%	0.632	S	S	.	*			trans	-86.8	148.4	174.8	55.3	0	0	0	0	110.3	Q151 E152 E153	T149-Q151 PolarHBondContact O-N 3.43Å; T149-Q151 VanDerWaalsContact O-N 3.13Å; T149-E152 PolarHBondContact N-OE2 2.85Å; T149-E152 VanDerWaalsContact N-OE2 3.12Å; T149-E152 WeakPolarHBondContact O-CB 3.26Å; T149-E152 PolarHBondContact O-N 3.34Å; T149-E152 VanDerWaalsContact OG1-CD 3.28Å; T149-E152 WeakPolarHBondContact OG1-CG 3.33Å; T149-E152 PolarHBondContact OG1-OE2 2.98Å; T149-E153 PolarHBondContact O-N 3.22Å
150	E	73.8	Confident	56.2	Low	158 Å²	158	125.2 Å²	125.2	74%	0.738	62%	0.618	S	S	*	*	H	α-helix	trans	-50.5	-38	-180	-175.1	-178.3	-178.9	0	0	112.1	E152 E153 D154	E150-E152 PolarHBondContact O-N 3.27Å; E150-E153 PolarHBondContact O-N 2.73Å; E150-D154 PolarHBondContact O-N 3.3Å
151	Q	71.9	Confident	57	Low	146 Å²	146	124.2 Å²	124.2	68%	0.682	61%	0.611	S	S	*	*	H	α-helix	trans	-66.5	-33.5	178.3	-167.6	173.1	8.3	0	0	113.6	T149 E155	T149-Q151 PolarHBondContact O-N 3.43Å; T149-Q151 VanDerWaalsContact O-N 3.13Å; Q151-E155 WeakPolarHBondContact O-CB 3.47Å; Q151-E155 PolarHBondContact O-N 2.97Å
152	E	70.7	Confident	57.9	Low	106 Å²	106	128.2 Å²	128.2	50%	0.495	61%	0.605	S	S	.	*	H	α-helix	trans	-74.4	-36.3	176.8	-70.7	169.4	148.1	0	0	111.4	T149 E150 E156	T149-E152 PolarHBondContact N-OE2 2.85Å; T149-E152 VanDerWaalsContact N-OE2 3.12Å; T149-E152 WeakPolarHBondContact O-CB 3.26Å; T149-E152 PolarHBondContact O-N 3.34Å; T149-E152 VanDerWaalsContact OG1-CD 3.28Å; T149-E152 WeakPolarHBondContact OG1-CG 3.33Å; T149-E152 PolarHBondContact OG1-OE2 2.98Å; E150-E152 PolarHBondContact O-N 3.27Å; E152-E156 WeakPolarHBondContact O-CB 3.49Å; E152-E156 PolarHBondContact O-N 3.21Å
153	E	68.6	Low	58.6	Low	103 Å²	103	132.3 Å²	132.3	48%	0.481	61%	0.605	S	S	.	*	H	α-helix	trans	-66.6	-41.2	172.8	-73.2	-172.8	162.3	0	0	111.3	R148 T149 E150 E156 L157	R148-E153 HydrophobicContact CB-CG 4.32Å; T149-E153 PolarHBondContact O-N 3.22Å; E150-E153 PolarHBondContact O-N 2.73Å; E153-E156 PolarHBondContact O-N 3.49Å; E153-L157 WeakPolarHBondContact O-CB 3.43Å; E153-L157 WeakPolarHBondContact O-CG 3.47Å; E153-L157 PolarHBondContact O-N 3.26Å
154	D	72.3	Confident	59.1	Low	87 Å²	87	131.2 Å²	131.2	47%	0.465	60%	0.603	S	S	.	*	H	α-helix	trans	-64.5	-43.7	175	-84.4	-10	0	0	0	112.4	E150 E156 L157 L158	E150-D154 PolarHBondContact O-N 3.3Å; D154-E156 VanDerWaalsContact C-N 3.33Å; D154-E156 PolarHBondContact O-N 3Å; D154-L157 PolarHBondContact O-N 2.93Å; D154-L158 VanDerWaalsContact O-CB 3.26Å; D154-L158 WeakPolarHBondContact O-CB 3.35Å; D154-L158 WeakPolarHBondContact O-CG 3.31Å; D154-L158 PolarHBondContact O-N 3.28Å
155	E	74.8	Confident	59.5	Low	130 Å²	130	124.6 Å²	124.6	61%	0.607	59%	0.589	S	S	*	*	H	α-helix	trans	-63	-39	174.8	-86.5	-169.8	162.8	0	0	111.9	Q151 S159	Q151-E155 WeakPolarHBondContact O-CB 3.47Å; Q151-E155 PolarHBondContact O-N 2.97Å; E155-S159 VanDerWaalsContact O-CB 3.29Å; E155-S159 WeakPolarHBondContact O-CB 2.95Å; E155-S159 PolarHBondContact O-N 3.46Å
156	E	72.9	Confident	60.1	Low	78 Å²	78	118.9 Å²	118.9	36%	0.364	58%	0.575	S	S	.	*	H	α-helix	trans	-66.5	-49	176.1	-173.6	167	-152.4	0	0	111	R148 E152 E153 D154 L158 S159 E160	R148-E156 IonicContact CZ-OE2 3.44Å; R148-E156 IonicContact NH1-OE2 2.71Å; R148-E156 PolarHBondContact NH1-OE2 3.36Å; E152-E156 WeakPolarHBondContact O-CB 3.49Å; E152-E156 PolarHBondContact O-N 3.21Å; E153-E156 PolarHBondContact O-N 3.49Å; D154-E156 VanDerWaalsContact C-N 3.33Å; D154-E156 PolarHBondContact O-N 3Å; E156-L158 VanDerWaalsContact C-N 3.32Å; E156-L158 PolarHBondContact O-N 3.45Å; E156-S159 CarbonylContact O-C 3.49Å; E156-S159 WeakPolarHBondContact O-CA 3.25Å; E156-S159 WeakPolarHBondContact O-CB 3.44Å; E156-S159 PolarHBondContact O-N 3.37Å; E156-S159 PolarHBondContact O-OG 2.84Å; E156-E160 HydrophobicContact CG-CG 4.48Å; E156-E160 WeakPolarHBondContact O-CG 3.44Å; E156-E160 PolarHBondContact O-N 2.86Å
157	L	68.8	Low	60.5	Low	96 Å²	96	115 Å²	115	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-59.5	-39.7	176	-79.4	165.7	0	0	0	112.2	E153 D154 E160 S161	E153-L157 WeakPolarHBondContact O-CB 3.43Å; E153-L157 WeakPolarHBondContact O-CG 3.47Å; E153-L157 PolarHBondContact O-N 3.26Å; D154-L157 PolarHBondContact O-N 2.93Å; L157-E160 PolarHBondContact O-N 3.5Å; L157-S161 WeakPolarHBondContact O-CB 3.29Å; L157-S161 PolarHBondContact O-N 3.29Å; L157-S161 PolarHBondContact O-OG 3.27Å
158	L	70.1	Confident	61.2	Low	103 Å²	103	106.9 Å²	106.9	54%	0.539	55%	0.545	S	S	.	.	H	α-helix	trans	-66.5	-39	172.8	-76.1	168.5	0	0	0	111.4	D154 E156 R162	D154-L158 VanDerWaalsContact O-CB 3.26Å; D154-L158 WeakPolarHBondContact O-CB 3.35Å; D154-L158 WeakPolarHBondContact O-CG 3.31Å; D154-L158 PolarHBondContact O-N 3.28Å; E156-L158 VanDerWaalsContact C-N 3.32Å; E156-L158 PolarHBondContact O-N 3.45Å; L158-R162 WeakPolarHBondContact O-CB 3.44Å; L158-R162 VanDerWaalsContact O-CG 3.24Å; L158-R162 WeakPolarHBondContact O-CG 3.39Å; L158-R162 PolarHBondContact O-N 3.4Å
159	S	64.9	Low	61.8	Low	44 Å²	44	102.8 Å²	102.8	31%	0.308	53%	0.532	S	S	.	.	H	α-helix	trans	-67.4	-39.2	175.7	87.5	0	0	0	0	112	E155 E156 R162 K163	E155-S159 VanDerWaalsContact O-CB 3.29Å; E155-S159 WeakPolarHBondContact O-CB 2.95Å; E155-S159 PolarHBondContact O-N 3.46Å; E156-S159 CarbonylContact O-C 3.49Å; E156-S159 WeakPolarHBondContact O-CA 3.25Å; E156-S159 WeakPolarHBondContact O-CB 3.44Å; E156-S159 PolarHBondContact O-N 3.37Å; E156-S159 PolarHBondContact O-OG 2.84Å; S159-R162 PolarHBondContact O-N 3.09Å; S159-K163 WeakPolarHBondContact O-CB 3.41Å; S159-K163 VanDerWaalsContact O-CG 3.26Å; S159-K163 WeakPolarHBondContact O-CG 3.44Å; S159-K163 PolarHBondContact O-N 2.95Å
160	E	56.8	Low	62.7	Low	104 Å²	104	107.9 Å²	107.9	49%	0.486	54%	0.542	S	S	.	.	H	α-helix	trans	-70.5	-41.2	177.1	-74.9	-164.8	152.2	0	0	111.4	E156 L157 R162 K163 T164	E156-E160 HydrophobicContact CG-CG 4.48Å; E156-E160 WeakPolarHBondContact O-CG 3.44Å; E156-E160 PolarHBondContact O-N 2.86Å; L157-E160 PolarHBondContact O-N 3.5Å; E160-R162 VanDerWaalsContact C-N 3.32Å; E160-R162 PolarHBondContact O-N 3.48Å; E160-K163 WeakPolarHBondContact O-CB 3.44Å; E160-K163 PolarHBondContact O-N 3.4Å; E160-K163 VanDerWaalsContact O-N 3.12Å; E160-T164 PolarHBondContact O-N 3.47Å; E160-T164 PolarHBondContact O-OG1 2.83Å
161	S	49.1	Very low	63.4	Low	72 Å²	72	101.2 Å²	101.2	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-37.9	173.3	-61.4	0	0	0	0	111.8	L157 T164 S165	L157-S161 WeakPolarHBondContact O-CB 3.29Å; L157-S161 PolarHBondContact O-N 3.29Å; L157-S161 PolarHBondContact O-OG 3.27Å; S161-T164 WeakPolarHBondContact CA-OG1 3.31Å; S161-T164 PolarHBondContact O-OG1 3.06Å; S161-S165 PolarHBondContact O-N 3.49Å
162	R	53.3	Low	64.1	Low	185 Å²	185	102.7 Å²	102.7	70%	0.698	52%	0.518	S	S	*	.	H	α-helix	trans	-71.3	-30.2	172.3	-74.8	176.4	-177.3	-171	3.4	112.9	L158 S159 E160 S165	L158-R162 WeakPolarHBondContact O-CB 3.44Å; L158-R162 VanDerWaalsContact O-CG 3.24Å; L158-R162 WeakPolarHBondContact O-CG 3.39Å; L158-R162 PolarHBondContact O-N 3.4Å; S159-R162 PolarHBondContact O-N 3.09Å; E160-R162 VanDerWaalsContact C-N 3.32Å; E160-R162 PolarHBondContact O-N 3.48Å; R162-S165 PolarHBondContact O-OG 2.72Å
163	K	47.1	Very low	65	Low	148 Å²	148	102.9 Å²	102.9	64%	0.643	53%	0.526	S	S	*	.	H	α-helix	trans	-72.8	-38.5	174.6	-76.4	169.3	-174.7	169.5	0	111.6	S159 E160 S165 N166	S159-K163 WeakPolarHBondContact O-CB 3.41Å; S159-K163 VanDerWaalsContact O-CG 3.26Å; S159-K163 WeakPolarHBondContact O-CG 3.44Å; S159-K163 PolarHBondContact O-N 2.95Å; E160-K163 WeakPolarHBondContact O-CB 3.44Å; E160-K163 PolarHBondContact O-N 3.4Å; E160-K163 VanDerWaalsContact O-N 3.12Å; K163-S165 VanDerWaalsContact C-N 3.3Å; K163-S165 PolarHBondContact O-N 2.73Å; K163-N166 PolarHBondContact O-N 3.13Å
164	T	40.8	Very low	66.1	Low	111 Å²	111	99.4 Å²	99.4	68%	0.681	51%	0.513	S	S	*	.	H	α-helix	trans	-70	-25	176.3	24	0	0	0	0	112.9	E160 S161 N166	E160-T164 PolarHBondContact O-N 3.47Å; E160-T164 PolarHBondContact O-OG1 2.83Å; S161-T164 WeakPolarHBondContact CA-OG1 3.31Å; S161-T164 PolarHBondContact O-OG1 3.06Å; T164-N166 VanDerWaalsContact C-N 3.29Å; T164-N166 PolarHBondContact O-N 2.86Å
165	S	45.2	Very low	67	Low	82 Å²	82	95.5 Å²	95.5	57%	0.573	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.3	176.4	67.9	0	0	0	0	115.1	S161 R162 K163 V167	S161-S165 PolarHBondContact O-N 3.49Å; R162-S165 PolarHBondContact O-OG 2.72Å; K163-S165 VanDerWaalsContact C-N 3.3Å; K163-S165 PolarHBondContact O-N 2.73Å; S165-V167 PolarHBondContact O-N 3.24Å
166	N	50.2	Low	67.8	Low	98 Å²	98	93.3 Å²	93.3	52%	0.524	49%	0.491	S	S	.	.			trans	-74.1	52.8	165.6	-87.2	-23.9	0	0	0	111	K163 T164 C168	K163-N166 PolarHBondContact O-N 3.13Å; T164-N166 VanDerWaalsContact C-N 3.29Å; T164-N166 PolarHBondContact O-N 2.86Å; N166-C168 VanDerWaalsContact C-N 3.35Å; N166-C168 PolarHBondContact O-N 3.1Å
167	V	51.7	Low	68.7	Low	102 Å²	102	90 Å²	90	62%	0.618	48%	0.476	S	S	*	.			trans	-59	103.3	165.4	-177.7	0	0	0	0	105.9	S165 I169	S165-V167 PolarHBondContact O-N 3.24Å; V167-I169 PolarHBondContact O-N 3.08Å
168	C	60.4	Low	69.9	Low	80 Å²	80	86.1 Å²	86.1	54%	0.541	46%	0.456	S	S	.	.			trans	-61.7	103.2	173.1	-176.9	0	0	0	0	106.8	N166 R170	N166-C168 VanDerWaalsContact C-N 3.35Å; N166-C168 PolarHBondContact O-N 3.1Å; C168-R170 PolarHBondContact O-N 3.32Å
169	I	71.1	Confident	70.8	Confident	45 Å²	45	88.1 Å²	88.1	23%	0.231	46%	0.46	C	S	.	.			trans	-66.3	109.6	-178.1	-57	-177.4	0	0	0	107.1	V167 F171 Y224 Y228	V167-I169 PolarHBondContact O-N 3.08Å; I169-F171 HydrophobicContact CG2-CE2 4.35Å; I169-F171 HydrophobicContact CG2-CZ 4.16Å; I169-Y224 HydrophobicContact CB-CE2 4.16Å; I169-Y224 HydrophobicContact CD1-CE2 4.37Å; I169-Y224 HydrophobicContact CG2-CE2 4.24Å; I169-Y228 HydrophobicContact CD1-CD1 3.73Å; I169-Y228 HydrophobicContact CD1-CG 4.47Å; I169-Y228 HydrophobicContact CG2-CD1 4.19Å; I169-Y228 HydrophobicContact CG2-CE1 4.26Å
170	R	82.2	Confident	71.6	Confident	188 Å²	188	87.2 Å²	87.2	71%	0.709	46%	0.458	S	S	*	.			trans	-114.5	121.3	179.6	-171.9	176	177.7	153.3	-3.3	108.3	C168 N192	C168-R170 PolarHBondContact O-N 3.32Å; R170-N192 HydrophobicContact CG-CB 4.43Å
171	F	88.4	Confident	73	Confident	17 Å²	17	83.7 Å²	83.7	8%	0.075	45%	0.45	C	S	.	.			trans	-80.4	125.6	175.2	-67.5	-72.9	0	0	0	109.7	I169 V173 P175 Y177 I188 L191 N192 I195 Y224 Y228	I169-F171 HydrophobicContact CG2-CE2 4.35Å; I169-F171 HydrophobicContact CG2-CZ 4.16Å; F171-V173 WeakPolarHBondContact CB-O 3.22Å; F171-P175 HydrophobicContact CD1-CB 4.12Å; F171-P175 HydrophobicContact CD1-CG 3.82Å; F171-P175 HydrophobicContact CD2-CG 4.07Å; F171-P175 HydrophobicContact CE1-CB 3.81Å; F171-P175 HydrophobicContact CE1-CG 3.9Å; F171-P175 HydrophobicContact CE2-CG 4.14Å; F171-P175 HydrophobicContact CG-CG 3.91Å; F171-P175 HydrophobicContact CZ-CB 4.11Å; F171-P175 HydrophobicContact CZ-CG 4.06Å; F171-Y177 HydrophobicContact CZ-CE1 4.46Å; F171-I188 HydrophobicContact CB-CG2 4.12Å; F171-I188 WeakPolarHBondContact O-CG2 3.3Å; F171-L191 HydrophobicContact CD2-CD2 3.99Å; F171-L191 HydrophobicContact CE2-CD2 4.45Å; F171-N192 PolarHBondContact N-OD1 3.22Å; F171-N192 PolarHBondContact O-ND2 2.94Å; F171-I195 HydrophobicContact CD2-CD1 3.71Å; F171-I195 HydrophobicContact CE2-CD1 3.59Å; F171-Y224 AromaticContact CE2-CD2 3.71Å; F171-Y224 HydrophobicContact CE2-CD2 3.71Å; F171-Y224 HydrophobicContact CE2-CE2 4.26Å; F171-Y224 HydrophobicContact CZ-CD2 4.01Å; F171-Y228 HydrophobicContact CE1-CE1 4.35Å; F171-Y228 AromaticContact CE1-CE2 3.94Å; F171-Y228 HydrophobicContact CE1-CE2 3.94Å; F171-Y228 AromaticContact CE1-CZ 3.71Å; F171-Y228 AromaticContact CZ-CD2 3.99Å; F171-Y228 HydrophobicContact CZ-CD2 3.99Å; F171-Y228 HydrophobicContact CZ-CE1 4.23Å; F171-Y228 AromaticContact CZ-CE2 3.63Å; F171-Y228 HydrophobicContact CZ-CE2 3.63Å; F171-Y228 HydrophobicContact CZ-CG 4.45Å; F171-Y228 AromaticContact CZ-CZ 3.75Å
172	E	87.7	Confident	74.9	Confident	178 Å²	178	85.4 Å²	85.4	83%	0.832	46%	0.459	S	S	*	.	S	Bend	trans	-92.9	-27.5	167.6	-62.5	-170.5	162.8	0	0	111.4
173	V	89.2	Confident	76.6	Confident	109 Å²	109	77 Å²	77	66%	0.661	43%	0.428	S	S	*	.	S	Bend	trans	-123.5	168.5	177.8	-64.8	0	0	0	0	110.2	F171	F171-V173 WeakPolarHBondContact CB-O 3.22Å
174	S	90.6	Very high	78.6	Confident	31 Å²	31	73.9 Å²	73.9	22%	0.217	41%	0.412	C	S	.	.			trans	-57.3	132.6	177.8	-62.8	0	0	0	0	111.4	P182 L183	S174-P182 VanDerWaalsContact OG-CA 3.23Å; S174-P182 WeakPolarHBondContact OG-CA 3.47Å; S174-L183 PolarHBondContact OG-N 3.38Å; S174-L183 PolarHBondContact OG-O 3.45Å
175	P	91.4	Very high	80.8	Confident	4 Å²	4	74.3 Å²	74.3	3%	0.026	41%	0.41	C	S	.	.			trans	-61.3	143.1	178.3	-19.8	31.1	0	0	0	111.6	F171 Y177 V178 L183 L191	F171-P175 HydrophobicContact CD1-CB 4.12Å; F171-P175 HydrophobicContact CD1-CG 3.82Å; F171-P175 HydrophobicContact CD2-CG 4.07Å; F171-P175 HydrophobicContact CE1-CB 3.81Å; F171-P175 HydrophobicContact CE1-CG 3.9Å; F171-P175 HydrophobicContact CE2-CG 4.14Å; F171-P175 HydrophobicContact CG-CG 3.91Å; F171-P175 HydrophobicContact CZ-CB 4.11Å; F171-P175 HydrophobicContact CZ-CG 4.06Å; P175-Y177 HydrophobicContact CB-CD1 3.79Å; P175-Y177 HydrophobicContact CB-CD2 4.4Å; P175-Y177 HydrophobicContact CB-CE1 3.27Å; P175-Y177 HydrophobicContact CB-CE2 3.96Å; P175-Y177 HydrophobicContact CB-CG 4.32Å; P175-Y177 HydrophobicContact CG-CE1 4.15Å; P175-Y177 HydrophobicContact CG-CE2 4.39Å; P175-Y177 PolarHBondContact O-N 3.27Å; P175-Y177 VanDerWaalsContact O-N 3.08Å; P175-V178 HydrophobicContact CB-CG2 4.32Å; P175-V178 HydrophobicContact CG-CG2 4.38Å; P175-V178 WeakPolarHBondContact O-CB 3.5Å; P175-V178 PolarHBondContact O-N 3.38Å; P175-L183 HydrophobicContact CG-CD1 4.36Å; P175-L191 HydrophobicContact CG-CD2 3.69Å
176	S	91.4	Very high	83	Confident	84 Å²	84	71 Å²	71	59%	0.587	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.1	-175	58.8	0	0	0	0	115	V178 K179	S176-V178 VanDerWaalsContact C-N 3.34Å; S176-K179 WeakPolarHBondContact O-CE 3.18Å; S176-K179 PolarHBondContact O-NZ 3.41Å
177	Y	92.8	Very high	85	Confident	10 Å²	10	66.8 Å²	66.8	4%	0.039	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.8	176.8	58.4	-102	0	0	0	113.5	F171 P175 A220 Y224 H227 Y228 V255	F171-Y177 HydrophobicContact CZ-CE1 4.46Å; P175-Y177 HydrophobicContact CB-CD1 3.79Å; P175-Y177 HydrophobicContact CB-CD2 4.4Å; P175-Y177 HydrophobicContact CB-CE1 3.27Å; P175-Y177 HydrophobicContact CB-CE2 3.96Å; P175-Y177 HydrophobicContact CB-CG 4.32Å; P175-Y177 HydrophobicContact CG-CE1 4.15Å; P175-Y177 HydrophobicContact CG-CE2 4.39Å; P175-Y177 PolarHBondContact O-N 3.27Å; P175-Y177 VanDerWaalsContact O-N 3.08Å; Y177-A220 WeakPolarHBondContact CE2-O 3.3Å; Y177-A220 PolarHBondContact OH-O 3.44Å; Y177-Y224 WeakPolarHBondContact OH-CA 3.5Å; Y177-Y224 VanDerWaalsContact OH-CB 3.32Å; Y177-Y224 WeakPolarHBondContact OH-CB 3.43Å; Y177-Y224 PolarHBondContact OH-N 3.13Å; Y177-Y224 VanDerWaalsContact OH-N 3.16Å; Y177-H227 WeakPolarHBondContact CB-CD2 3.35Å; Y177-H227 WeakPolarHBondContact CB-NE2 3.34Å; Y177-H227 HydrophobicContact CD1-CB 3.87Å; Y177-H227 AromaticContact CD1-CD2 3.71Å; Y177-H227 AromaticContact CD1-CG 3.96Å; Y177-H227 HydrophobicContact CE1-CB 4.37Å; Y177-H227 AromaticContact CG-CD2 3.46Å; Y177-H227 VanDerWaalsContact CG-CD2 3.46Å; Y177-Y228 HydrophobicContact CD1-CD2 4.38Å; Y177-Y228 AromaticContact CD1-CE2 3.97Å; Y177-Y228 HydrophobicContact CD1-CE2 3.97Å; Y177-Y228 AromaticContact CE1-CD2 3.85Å; Y177-Y228 HydrophobicContact CE1-CD2 3.85Å; Y177-Y228 AromaticContact CE1-CE2 3.63Å; Y177-Y228 HydrophobicContact CE1-CE2 3.63Å; Y177-V255 HydrophobicContact CD2-CG1 4.15Å; Y177-V255 HydrophobicContact CD2-CG2 4.1Å; Y177-V255 HydrophobicContact CE2-CG2 4.46Å
178	V	93.1	Very high	86.9	Confident	14 Å²	14	62.4 Å²	62.4	9%	0.085	34%	0.336	C	S	.	.			trans	-84.4	111.2	173.9	-178.3	0	0	0	0	108.6	P175 S176 L183 A220 W254 V255	P175-V178 HydrophobicContact CB-CG2 4.32Å; P175-V178 HydrophobicContact CG-CG2 4.38Å; P175-V178 WeakPolarHBondContact O-CB 3.5Å; P175-V178 PolarHBondContact O-N 3.38Å; S176-V178 VanDerWaalsContact C-N 3.34Å; V178-L183 HydrophobicContact CG1-CD1 4.39Å; V178-L183 HydrophobicContact CG2-CD1 4.1Å; V178-A220 HydrophobicContact CG2-CB 4.33Å; V178-W254 CarbonylContact C-O 3.56Å; V178-W254 VanDerWaalsContact CA-O 3.3Å; V178-W254 WeakPolarHBondContact CA-O 3.41Å; V178-W254 HydrophobicContact CG1-CE3 3.79Å; V178-W254 HydrophobicContact CG1-CZ3 4.43Å; V178-V255 HydrophobicContact CG2-CG2 4.27Å
179	K	90.2	Very high	88.3	Confident	144 Å²	144	66.7 Å²	66.7	63%	0.626	34%	0.34	S	S	*	.			trans	-102	-24	-171.1	-60.4	-54.5	-171.8	-170.5	0	114.8	S176 G181 W254 P256	S176-K179 WeakPolarHBondContact O-CE 3.18Å; S176-K179 PolarHBondContact O-NZ 3.41Å; K179-G181 PolarHBondContact O-N 3.48Å; K179-W254 PolarHBondContact N-O 3.33Å; K179-P256 HydrophobicContact CB-CG 4.49Å; K179-P256 HydrophobicContact CG-CG 4.22Å
180	G	81.1	Confident	89.3	Confident	26 Å²	26	64.6 Å²	64.6	27%	0.268	33%	0.329	S	S	.	.	S	Bend	trans	-71.4	4	-174.5	0	0	0	0	0	116.4	R253 W254	G180-R253 WeakPolarHBondContact CA-O 3.38Å; G180-R253 PolarHBondContact N-O 3.49Å; G180-W254 VanDerWaalsContact CA-CE3 3.45Å; G180-W254 WeakPolarHBondContact O-CH2 3.34Å; G180-W254 VanDerWaalsContact O-CZ3 3.26Å; G180-W254 WeakPolarHBondContact O-CZ3 3.34Å
181	G	85.8	Confident	89.9	Confident	30 Å²	30	55.6 Å²	55.6	31%	0.309	30%	0.296	S	S	.	.	S	Bend	trans	128.1	170.9	-174.2	0	0	0	0	0	112.4	K179 W254	K179-G181 PolarHBondContact O-N 3.48Å; G181-W254 WeakPolarHBondContact O-CZ3 3.21Å
182	P	88.3	Confident	90.1	Very high	108 Å²	108	55.8 Å²	55.8	70%	0.701	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-71.2	136.2	175.4	29.3	-32.9	0	0	0	111.3	S174	S174-P182 VanDerWaalsContact OG-CA 3.23Å; S174-P182 WeakPolarHBondContact OG-CA 3.47Å
183	L	89.9	Confident	90.4	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.037	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-61	141.3	161.9	-71.8	141.6	0	0	0	109.7	S174 P175 V178 Q187 I188 L216	S174-L183 PolarHBondContact OG-N 3.38Å; S174-L183 PolarHBondContact OG-O 3.45Å; P175-L183 HydrophobicContact CG-CD1 4.36Å; V178-L183 HydrophobicContact CG1-CD1 4.39Å; V178-L183 HydrophobicContact CG2-CD1 4.1Å; L183-Q187 HydrophobicContact CB-CB 4.19Å; L183-Q187 HydrophobicContact CD2-CB 3.73Å; L183-I188 HydrophobicContact CB-CD1 4.4Å; L183-I188 HydrophobicContact CB-CG1 3.72Å; L183-L216 HydrophobicContact CD2-CD1 4.3Å; L183-L216 HydrophobicContact CD2-CD2 3.85Å; L183-L216 HydrophobicContact CD2-CG 3.74Å
184	R	88.4	Confident	90.6	Very high	83 Å²	83	44.6 Å²	44.6	31%	0.313	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-71.5	156.3	173.1	-56.6	-178.3	176.9	-115.2	-5	110.5	Y186 Q187 I188 E404 S406	R184-Y186 VanDerWaalsContact C-N 3.29Å; R184-Y186 HydrophobicContact CB-CD1 3.96Å; R184-Y186 HydrophobicContact CB-CE1 3.59Å; R184-Y186 HydrophobicContact CG-CE1 4.23Å; R184-Y186 PolarHBondContact O-N 2.93Å; R184-Y186 VanDerWaalsContact O-N 3.16Å; R184-Q187 HydrophobicContact CB-CG 4.14Å; R184-Q187 CarbonylContact O-C 3.53Å; R184-Q187 WeakPolarHBondContact O-CA 3.27Å; R184-Q187 VanDerWaalsContact O-CB 3.3Å; R184-Q187 WeakPolarHBondContact O-CB 3.48Å; R184-Q187 PolarHBondContact O-N 3.38Å; R184-I188 PolarHBondContact O-N 2.87Å; R184-E404 WeakPolarHBondContact CD-OE2 3.34Å; R184-E404 IonicContact CZ-OE1 3.64Å; R184-E404 IonicContact CZ-OE2 3.03Å; R184-E404 IonicContact NE-OE2 3.41Å; R184-E404 PolarHBondContact NE-OE2 3.18Å; R184-E404 IonicContact NH1-OE1 3.25Å; R184-E404 PolarHBondContact NH1-OE1 3.04Å; R184-E404 IonicContact NH1-OE2 3.53Å; R184-E404 PolarHBondContact NH1-OE2 3.01Å; R184-S406 PolarHBondContact NH1-OG 2.85Å
185	D	88.4	Confident	90.6	Very high	120 Å²	120	43.1 Å²	43.1	64%	0.642	23%	0.225	S	C	*	.	H	α-helix	trans	-52.1	-44.3	-176.2	-63.3	-1.9	0	0	0	113.6	Q187 I188 R189	D185-Q187 VanDerWaalsContact C-N 3.33Å; D185-Q187 PolarHBondContact O-N 3.39Å; D185-I188 PolarHBondContact O-N 3.33Å; D185-R189 WeakPolarHBondContact O-CG 3.37Å; D185-R189 PolarHBondContact O-N 3.49Å
186	Y	89.5	Confident	90.5	Very high	14 Å²	14	44.9 Å²	44.9	6%	0.055	24%	0.238	C	C	.	.	H	α-helix	trans	-69.2	-33.6	177.3	72.6	-91.7	0	0	0	111.3	R184 I188 R189 G190 L212 R398 V403 E404 I599	R184-Y186 VanDerWaalsContact C-N 3.29Å; R184-Y186 HydrophobicContact CB-CD1 3.96Å; R184-Y186 HydrophobicContact CB-CE1 3.59Å; R184-Y186 HydrophobicContact CG-CE1 4.23Å; R184-Y186 PolarHBondContact O-N 2.93Å; R184-Y186 VanDerWaalsContact O-N 3.16Å; Y186-I188 VanDerWaalsContact C-N 3.32Å; Y186-I188 PolarHBondContact O-N 2.78Å; Y186-R189 PolarHBondContact O-N 3.2Å; Y186-G190 PolarHBondContact O-N 3.48Å; Y186-L212 HydrophobicContact CE2-CB 4.13Å; Y186-L212 HydrophobicContact CE2-CD2 4.01Å; Y186-L212 VanDerWaalsContact CE2-O 3.29Å; Y186-L212 WeakPolarHBondContact CE2-O 3.46Å; Y186-L212 PolarHBondContact OH-O 3.5Å; Y186-L212 VanDerWaalsContact OH-O 3.06Å; Y186-R398 PolarHBondContact O-NH1 3.27Å; Y186-V403 HydrophobicContact CD1-CB 3.97Å; Y186-V403 HydrophobicContact CD1-CG2 4.07Å; Y186-V403 HydrophobicContact CD2-CB 4.4Å; Y186-V403 HydrophobicContact CD2-CG2 4.07Å; Y186-V403 HydrophobicContact CE1-CG2 4.35Å; Y186-V403 HydrophobicContact CE2-CG2 4.34Å; Y186-V403 HydrophobicContact CG-CB 3.83Å; Y186-V403 HydrophobicContact CG-CG2 3.95Å; Y186-E404 VanDerWaalsContact CE1-OE2 3.29Å; Y186-E404 WeakPolarHBondContact CE1-OE2 3.04Å; Y186-I599 WeakPolarHBondContact OH-CD1 3.04Å
187	Q	92.3	Very high	90.3	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-37.7	175	-60.3	175.6	-35.3	0	0	111	L183 R184 D185 G190 L191 L212 Q217	L183-Q187 HydrophobicContact CB-CB 4.19Å; L183-Q187 HydrophobicContact CD2-CB 3.73Å; R184-Q187 HydrophobicContact CB-CG 4.14Å; R184-Q187 CarbonylContact O-C 3.53Å; R184-Q187 WeakPolarHBondContact O-CA 3.27Å; R184-Q187 VanDerWaalsContact O-CB 3.3Å; R184-Q187 WeakPolarHBondContact O-CB 3.48Å; R184-Q187 PolarHBondContact O-N 3.38Å; D185-Q187 VanDerWaalsContact C-N 3.33Å; D185-Q187 PolarHBondContact O-N 3.39Å; Q187-G190 PolarHBondContact O-N 3.09Å; Q187-L191 WeakPolarHBondContact O-CB 3.34Å; Q187-L191 PolarHBondContact O-N 3.42Å; Q187-L212 PolarHBondContact NE2-O 2.82Å; Q187-Q217 HydrophobicContact CB-CG 4.05Å; Q187-Q217 HydrophobicContact CG-CG 4.35Å
188	I	92.5	Very high	90.2	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.056	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-46.2	172.2	-62.4	171.6	0	0	0	110.4	F171 L183 R184 D185 Y186 G190 L191 N192	F171-I188 HydrophobicContact CB-CG2 4.12Å; F171-I188 WeakPolarHBondContact O-CG2 3.3Å; L183-I188 HydrophobicContact CB-CD1 4.4Å; L183-I188 HydrophobicContact CB-CG1 3.72Å; R184-I188 PolarHBondContact O-N 2.87Å; D185-I188 PolarHBondContact O-N 3.33Å; Y186-I188 VanDerWaalsContact C-N 3.32Å; Y186-I188 PolarHBondContact O-N 2.78Å; I188-G190 VanDerWaalsContact C-N 3.28Å; I188-G190 PolarHBondContact O-N 3.25Å; I188-L191 PolarHBondContact O-N 2.85Å; I188-N192 WeakPolarHBondContact O-CB 3.46Å; I188-N192 VanDerWaalsContact O-CG 3.31Å; I188-N192 PolarHBondContact O-N 3.36Å; I188-N192 PolarHBondContact O-ND2 2.87Å
189	R	90.3	Very high	89.8	Confident	170 Å²	170	42 Å²	42	64%	0.642	21%	0.214	S	C	*	.	H	α-helix	trans	-60.1	-38.7	174.5	-68.6	177.2	-166.3	-176.3	4.5	112.4	D185 Y186 N192 W193	D185-R189 WeakPolarHBondContact O-CG 3.37Å; D185-R189 PolarHBondContact O-N 3.49Å; Y186-R189 PolarHBondContact O-N 3.2Å; R189-N192 PolarHBondContact O-N 3.48Å; R189-W193 WeakPolarHBondContact O-CB 3.36Å; R189-W193 PolarHBondContact O-N 3.19Å
190	G	92.1	Very high	89.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-71.3	-38	178	0	0	0	0	0	112.6	Y186 Q187 I188 W193 L194 Q217	Y186-G190 PolarHBondContact O-N 3.48Å; Q187-G190 PolarHBondContact O-N 3.09Å; I188-G190 VanDerWaalsContact C-N 3.28Å; I188-G190 PolarHBondContact O-N 3.25Å; G190-W193 WeakPolarHBondContact O-CB 3.31Å; G190-W193 PolarHBondContact O-N 2.96Å; G190-L194 WeakPolarHBondContact O-CG 3.42Å; G190-L194 PolarHBondContact O-N 2.84Å; G190-Q217 VanDerWaalsContact CA-OE1 3.3Å
191	L	94.3	Very high	89.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60	-48.7	169.5	174.7	61.1	0	0	0	111.1	F171 P175 Q187 I188 W193 L194 I195 A220 L221	F171-L191 HydrophobicContact CD2-CD2 3.99Å; F171-L191 HydrophobicContact CE2-CD2 4.45Å; P175-L191 HydrophobicContact CG-CD2 3.69Å; Q187-L191 WeakPolarHBondContact O-CB 3.34Å; Q187-L191 PolarHBondContact O-N 3.42Å; I188-L191 PolarHBondContact O-N 2.85Å; L191-W193 VanDerWaalsContact C-N 3.26Å; L191-W193 PolarHBondContact O-N 2.91Å; L191-L194 WeakPolarHBondContact O-CB 3.48Å; L191-L194 PolarHBondContact O-N 2.97Å; L191-L194 VanDerWaalsContact O-N 3.12Å; L191-I195 HydrophobicContact CD1-CD1 4.04Å; L191-I195 HydrophobicContact CD1-CG1 4.23Å; L191-I195 HydrophobicContact CG-CD1 3.88Å; L191-I195 HydrophobicContact CG-CG1 4.48Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.5Å; L191-I195 PolarHBondContact O-N 3.49Å; L191-A220 HydrophobicContact CD1-CB 4.01Å; L191-A220 HydrophobicContact CD2-CB 4.06Å; L191-L221 HydrophobicContact CD1-CB 4.11Å
192	N	93.2	Very high	89.5	Confident	20 Å²	20	34.5 Å²	34.5	11%	0.107	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-36.9	177.1	-71.6	-31.7	0	0	0	112.2	R170 F171 I188 R189 I195 S196	R170-N192 HydrophobicContact CG-CB 4.43Å; F171-N192 PolarHBondContact N-OD1 3.22Å; F171-N192 PolarHBondContact O-ND2 2.94Å; I188-N192 WeakPolarHBondContact O-CB 3.46Å; I188-N192 VanDerWaalsContact O-CG 3.31Å; I188-N192 PolarHBondContact O-N 3.36Å; I188-N192 PolarHBondContact O-ND2 2.87Å; R189-N192 PolarHBondContact O-N 3.48Å; N192-I195 PolarHBondContact O-N 3.29Å; N192-S196 WeakPolarHBondContact O-CB 3.45Å; N192-S196 PolarHBondContact O-N 3.41Å
193	W	92.4	Very high	89.5	Confident	52 Å²	52	29.8 Å²	29.8	20%	0.197	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-44.9	173.4	177.1	81.2	0	0	0	111.7	R189 G190 L191 I195 S196 L197 F394 L396	R189-W193 WeakPolarHBondContact O-CB 3.36Å; R189-W193 PolarHBondContact O-N 3.19Å; G190-W193 WeakPolarHBondContact O-CB 3.31Å; G190-W193 PolarHBondContact O-N 2.96Å; L191-W193 VanDerWaalsContact C-N 3.26Å; L191-W193 PolarHBondContact O-N 2.91Å; W193-I195 VanDerWaalsContact C-N 3.34Å; W193-I195 PolarHBondContact O-N 2.99Å; W193-S196 WeakPolarHBondContact O-CB 3.22Å; W193-S196 PolarHBondContact O-N 2.93Å; W193-L197 HydrophobicContact CD2-CD1 4.11Å; W193-L197 HydrophobicContact CD2-CG 4.38Å; W193-L197 HydrophobicContact CE3-CD1 3.98Å; W193-L197 HydrophobicContact CH2-CD1 3.39Å; W193-L197 HydrophobicContact CH2-CG 4.49Å; W193-L197 HydrophobicContact CZ2-CD1 3.5Å; W193-L197 HydrophobicContact CZ2-CD2 4.4Å; W193-L197 HydrophobicContact CZ2-CG 4.2Å; W193-L197 HydrophobicContact CZ3-CD1 3.63Å; W193-L197 WeakPolarHBondContact O-CG 3.47Å; W193-L197 PolarHBondContact O-N 2.79Å; W193-F394 VanDerWaalsContact CH2-O 3.3Å; W193-F394 WeakPolarHBondContact CH2-O 3.47Å; W193-F394 WeakPolarHBondContact CZ2-O 3.21Å; W193-L396 HydrophobicContact CB-CD2 4.15Å; W193-L396 HydrophobicContact CD2-CB 3.78Å; W193-L396 HydrophobicContact CD2-CD2 3.8Å; W193-L396 HydrophobicContact CD2-CG 4.33Å; W193-L396 HydrophobicContact CE3-CB 3.69Å; W193-L396 HydrophobicContact CE3-CD2 3.66Å; W193-L396 HydrophobicContact CE3-CG 4.32Å; W193-L396 HydrophobicContact CG-CD2 4.02Å; W193-L396 HydrophobicContact CH2-CB 3.56Å; W193-L396 HydrophobicContact CZ2-CB 3.66Å; W193-L396 HydrophobicContact CZ3-CB 3.59Å; W193-L396 HydrophobicContact CZ3-CD2 4.3Å
194	L	93.4	Very high	89.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-40.7	174.9	-70.5	171	0	0	0	112.2	G190 L191 L197 Y198 Q217 L221 L336	G190-L194 WeakPolarHBondContact O-CG 3.42Å; G190-L194 PolarHBondContact O-N 2.84Å; L191-L194 WeakPolarHBondContact O-CB 3.48Å; L191-L194 PolarHBondContact O-N 2.97Å; L191-L194 VanDerWaalsContact O-N 3.12Å; L194-L197 PolarHBondContact O-N 3.19Å; L194-Y198 PolarHBondContact O-N 3.26Å; L194-Q217 HydrophobicContact CD1-CB 4.24Å; L194-L221 HydrophobicContact CB-CD1 3.97Å; L194-L221 HydrophobicContact CB-CD2 4.01Å; L194-L221 HydrophobicContact CB-CG 4.39Å; L194-L221 HydrophobicContact CD1-CB 4.32Å; L194-L221 HydrophobicContact CD1-CD2 4.32Å; L194-L336 HydrophobicContact CD2-CD1 3.7Å; L194-L336 HydrophobicContact CD2-CD2 4.01Å
195	I	91.9	Very high	89.6	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-47.7	174	-68.6	167.1	0	0	0	109.5	F171 L191 N192 W193 L197 Y198 E199 L221 Y224	F171-I195 HydrophobicContact CD2-CD1 3.71Å; F171-I195 HydrophobicContact CE2-CD1 3.59Å; L191-I195 HydrophobicContact CD1-CD1 4.04Å; L191-I195 HydrophobicContact CD1-CG1 4.23Å; L191-I195 HydrophobicContact CG-CD1 3.88Å; L191-I195 HydrophobicContact CG-CG1 4.48Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.5Å; L191-I195 PolarHBondContact O-N 3.49Å; N192-I195 PolarHBondContact O-N 3.29Å; W193-I195 VanDerWaalsContact C-N 3.34Å; W193-I195 PolarHBondContact O-N 2.99Å; I195-L197 VanDerWaalsContact C-N 3.29Å; I195-L197 PolarHBondContact O-N 3.14Å; I195-Y198 WeakPolarHBondContact O-CA 3.12Å; I195-Y198 WeakPolarHBondContact O-CB 3.29Å; I195-Y198 PolarHBondContact O-N 3.2Å; I195-Y198 VanDerWaalsContact O-N 3.07Å; I195-E199 HydrophobicContact CG2-CG 4.07Å; I195-E199 VanDerWaalsContact O-CG 3.31Å; I195-E199 WeakPolarHBondContact O-CG 3.49Å; I195-E199 PolarHBondContact O-N 3.42Å; I195-L221 HydrophobicContact CG1-CD1 4.11Å; I195-Y224 HydrophobicContact CB-CE1 4.42Å; I195-Y224 HydrophobicContact CD1-CD1 4.24Å; I195-Y224 HydrophobicContact CD1-CD2 3.85Å; I195-Y224 HydrophobicContact CD1-CE1 4.45Å; I195-Y224 HydrophobicContact CD1-CE2 4.08Å; I195-Y224 HydrophobicContact CD1-CG 3.91Å; I195-Y224 HydrophobicContact CG1-CD1 3.8Å; I195-Y224 HydrophobicContact CG1-CD2 4.32Å; I195-Y224 HydrophobicContact CG1-CE1 3.95Å; I195-Y224 HydrophobicContact CG1-CE2 4.44Å; I195-Y224 HydrophobicContact CG1-CG 3.98Å; I195-Y224 HydrophobicContact CG2-CE1 3.81Å; I195-Y224 HydrophobicContact CG2-CE2 4.31Å
196	S	88.4	Confident	89.7	Confident	41 Å²	41	19.9 Å²	19.9	29%	0.287	9%	0.09	S	C	.	.	H	α-helix	trans	-57.6	-40.8	176.7	-177.8	0	0	0	0	112.2	N192 W193 N200	N192-S196 WeakPolarHBondContact O-CB 3.45Å; N192-S196 PolarHBondContact O-N 3.41Å; W193-S196 WeakPolarHBondContact O-CB 3.22Å; W193-S196 PolarHBondContact O-N 2.93Å; S196-N200 PolarHBondContact O-N 3.23Å; S196-N200 PolarHBondContact O-ND2 2.57Å
197	L	88.6	Confident	89.6	Confident	4 Å²	4	19.2 Å²	19.2	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-62.4	-47.1	174.5	-70.7	-178.2	0	0	0	111.2	W193 L194 I195 E199 N200 G201 V202	W193-L197 HydrophobicContact CD2-CD1 4.11Å; W193-L197 HydrophobicContact CD2-CG 4.38Å; W193-L197 HydrophobicContact CE3-CD1 3.98Å; W193-L197 HydrophobicContact CH2-CD1 3.39Å; W193-L197 HydrophobicContact CH2-CG 4.49Å; W193-L197 HydrophobicContact CZ2-CD1 3.5Å; W193-L197 HydrophobicContact CZ2-CD2 4.4Å; W193-L197 HydrophobicContact CZ2-CG 4.2Å; W193-L197 HydrophobicContact CZ3-CD1 3.63Å; W193-L197 WeakPolarHBondContact O-CG 3.47Å; W193-L197 PolarHBondContact O-N 2.79Å; L194-L197 PolarHBondContact O-N 3.19Å; I195-L197 VanDerWaalsContact C-N 3.29Å; I195-L197 PolarHBondContact O-N 3.14Å; L197-E199 PolarHBondContact O-N 2.95Å; L197-N200 CarbonylContact O-C 3.44Å; L197-N200 PolarHBondContact O-N 2.82Å; L197-G201 PolarHBondContact O-N 2.95Å; L197-V202 CarbonylContact C-O 3.6Å; L197-V202 HydrophobicContact CD2-CB 4.09Å; L197-V202 HydrophobicContact CD2-CG1 3.94Å; L197-V202 PolarHBondContact O-N 3.23Å
198	Y	89.1	Confident	89.3	Confident	11 Å²	11	18.8 Å²	18.8	4%	0.043	9%	0.085	C	C	.	.	H	α-helix	trans	-58.3	-48.2	178.1	173.4	-96	0	0	0	112.8	K86 L194 I195 N200 G201 Y224 L225 R229 I231 Y307	K86-Y198 PolarHBondContact NZ-OH 3.41Å; L194-Y198 PolarHBondContact O-N 3.26Å; I195-Y198 WeakPolarHBondContact O-CA 3.12Å; I195-Y198 WeakPolarHBondContact O-CB 3.29Å; I195-Y198 PolarHBondContact O-N 3.2Å; I195-Y198 VanDerWaalsContact O-N 3.07Å; Y198-N200 PolarHBondContact O-N 3Å; Y198-G201 PolarHBondContact O-N 2.87Å; Y198-Y224 HydrophobicContact CD1-CE1 4.35Å; Y198-L225 HydrophobicContact CD1-CD2 3.91Å; Y198-L225 HydrophobicContact CD2-CD2 3.84Å; Y198-L225 HydrophobicContact CE1-CD2 3.55Å; Y198-L225 HydrophobicContact CE2-CD1 4.42Å; Y198-L225 HydrophobicContact CE2-CD2 3.45Å; Y198-L225 VanDerWaalsContact CE2-CD2 3.45Å; Y198-L225 HydrophobicContact CG-CD2 4.03Å; Y198-R229 HydrophobicContact CE1-CG 4.17Å; Y198-I231 WeakPolarHBondContact OH-CD1 3.17Å; Y198-Y307 HydrophobicContact CD2-CD2 4.42Å; Y198-Y307 HydrophobicContact CD2-CE2 4.04Å
199	E	85.8	Confident	88.6	Confident	32 Å²	32	20.5 Å²	20.5	15%	0.15	9%	0.093	C	C	.	.	H	α-helix	trans	-62.8	-29.6	-178.8	-66.3	-58.7	152.8	0	0	113.2	I195 L197 G201 Y224 R229	I195-E199 HydrophobicContact CG2-CG 4.07Å; I195-E199 VanDerWaalsContact O-CG 3.31Å; I195-E199 WeakPolarHBondContact O-CG 3.49Å; I195-E199 PolarHBondContact O-N 3.42Å; L197-E199 PolarHBondContact O-N 2.95Å; E199-G201 VanDerWaalsContact C-N 3.32Å; E199-Y224 PolarHBondContact OE1-OH 3.03Å; E199-R229 IonicContact OE1-CZ 3.48Å; E199-R229 IonicContact OE1-NE 3.66Å; E199-R229 PolarHBondContact OE1-NE 2.96Å; E199-R229 IonicContact OE1-NH2 3.7Å; E199-R229 PolarHBondContact OE1-NH2 3.12Å; E199-R229 IonicContact OE2-CZ 2.87Å; E199-R229 IonicContact OE2-NE 2.96Å; E199-R229 IonicContact OE2-NH2 2.89Å; E199-R229 PolarHBondContact OE2-NH2 3.39Å
200	N	83	Confident	88.1	Confident	43 Å²	43	13.3 Å²	13.3	23%	0.23	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5.6	175.6	-68.3	-66.5	0	0	0	112.7	R94 F97 S196 L197 Y198 V202	R94-N200 VanDerWaalsContact CA-O 3.26Å; R94-N200 WeakPolarHBondContact CA-O 3.38Å; R94-N200 PolarHBondContact N-O 2.89Å; F97-N200 HydrophobicContact CB-CB 4.2Å; F97-N200 HydrophobicContact CD2-CB 4.01Å; F97-N200 HydrophobicContact CG-CB 3.98Å; S196-N200 PolarHBondContact O-N 3.23Å; S196-N200 PolarHBondContact O-ND2 2.57Å; L197-N200 CarbonylContact O-C 3.44Å; L197-N200 PolarHBondContact O-N 2.82Å; Y198-N200 PolarHBondContact O-N 3Å; N200-V202 HydrophobicContact CB-CG2 3.83Å; N200-V202 WeakPolarHBondContact O-CG2 3.38Å; N200-V202 PolarHBondContact O-N 3.41Å
201	G	83.3	Confident	87.4	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	18.5	-178.2	0	0	0	0	0	113.4	R94 L197 Y198 E199	R94-G201 PolarHBondContact NE-O 2.81Å; R94-G201 PolarHBondContact NH2-O 3.05Å; L197-G201 PolarHBondContact O-N 2.95Å; Y198-G201 PolarHBondContact O-N 2.87Å; E199-G201 VanDerWaalsContact C-N 3.32Å
202	V	83.9	Confident	86.8	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.			trans	-96.3	145.2	-173.6	-175.4	0	0	0	0	110.4	R94 F97 L197 N200 F394	R94-V202 HydrophobicContact CB-CG2 4.35Å; R94-V202 HydrophobicContact CG-CG2 4Å; F97-V202 HydrophobicContact CD1-CG2 3.65Å; F97-V202 HydrophobicContact CE1-CG2 4.19Å; F97-V202 HydrophobicContact CG-CG2 4.26Å; L197-V202 CarbonylContact C-O 3.6Å; L197-V202 HydrophobicContact CD2-CB 4.09Å; L197-V202 HydrophobicContact CD2-CG1 3.94Å; L197-V202 PolarHBondContact O-N 3.23Å; N200-V202 HydrophobicContact CB-CG2 3.83Å; N200-V202 WeakPolarHBondContact O-CG2 3.38Å; N200-V202 PolarHBondContact O-N 3.41Å; V202-F394 HydrophobicContact CG1-CD1 3.28Å; V202-F394 HydrophobicContact CG1-CE1 3.4Å; V202-F394 VanDerWaalsContact CG1-CE1 3.4Å; V202-F394 HydrophobicContact CG1-CG 4.47Å
203	N	89.8	Confident	86.6	Confident	8 Å²	8	13.5 Å²	13.5	4%	0.043	7%	0.073	C	C	.	.			trans	-89	154.9	175.9	-66.3	-30.8	0	0	0	110.8	N334 R335 L357	N203-N334 WeakPolarHBondContact OD1-CA 3.43Å; N203-R335 WeakPolarHBondContact CA-O 3.44Å; N203-R335 HydrophobicContact CB-CB 4.32Å; N203-R335 WeakPolarHBondContact CB-O 3.3Å; N203-R335 PolarHBondContact OD1-N 2.87Å; N203-R335 PolarHBondContact OD1-O 3.06Å; N203-L357 HydrophobicContact CB-CB 4.21Å; N203-L357 HydrophobicContact CB-CD2 3.64Å; N203-L357 WeakPolarHBondContact CB-O 3.27Å; N203-L357 PolarHBondContact ND2-O 3.45Å
204	G	89.3	Confident	86.5	Confident	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.1	-172.3	0	0	0	0	0	114.9	R335 L336 L337	G204-R335 PolarHBondContact N-O 3.32Å; G204-L336 WeakPolarHBondContact O-CA 3.31Å; G204-L336 WeakPolarHBondContact O-CD1 3.3Å; G204-L337 PolarHBondContact O-N 3.46Å
205	I	89.8	Confident	86.4	Confident	2 Å²	2	12.3 Å²	12.3	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	111.2	165.3	-53.3	-179.4	0	0	0	107.9	A207 L337 T339 L357 F394 L395 L396	I205-A207 HydrophobicContact CG2-CB 4.18Å; I205-A207 PolarHBondContact O-N 2.72Å; I205-L337 CarbonylContact C-O 3.59Å; I205-L337 WeakPolarHBondContact CA-O 3.24Å; I205-L337 HydrophobicContact CD1-CD1 4.43Å; I205-L337 HydrophobicContact CG1-CB 4.21Å; I205-L337 HydrophobicContact CG1-CD1 4.24Å; I205-L337 HydrophobicContact CG2-CB 4.31Å; I205-T339 HydrophobicContact CG2-CG2 3.88Å; I205-L357 HydrophobicContact CD1-CD1 3.8Å; I205-L357 HydrophobicContact CG1-CD1 3.86Å; I205-L357 HydrophobicContact CG1-CD2 4.1Å; I205-L357 HydrophobicContact CG1-CG 4.45Å; I205-F394 PolarHBondContact N-O 3.47Å; I205-L395 HydrophobicContact CB-CG 4.44Å; I205-L395 WeakPolarHBondContact O-CA 3.08Å; I205-L396 PolarHBondContact O-N 3.27Å
206	L	91	Very high	86.4	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	99.7	170.1	-174.2	63.2	0	0	0	108.8	K214 Q217 L336 L337 L338 T339 L396	L206-K214 HydrophobicContact CD2-CB 3.93Å; L206-K214 HydrophobicContact CD2-CG 3.93Å; L206-K214 HydrophobicContact CG-CD 4.23Å; L206-K214 HydrophobicContact CG-CG 4.02Å; L206-K214 WeakPolarHBondContact O-CD 3.49Å; L206-Q217 HydrophobicContact CD2-CB 4.12Å; L206-L336 HydrophobicContact CB-CD1 4.13Å; L206-L337 PolarHBondContact N-O 3.39Å; L206-L338 HydrophobicContact CB-CD2 3.74Å; L206-L338 HydrophobicContact CD2-CD2 4.09Å; L206-L338 HydrophobicContact CG-CD2 4.43Å; L206-T339 PolarHBondContact O-N 3.16Å; L206-L396 HydrophobicContact CD1-CB 4.26Å; L206-L396 HydrophobicContact CD1-CD2 3.99Å; L206-L396 HydrophobicContact CD1-CG 4.32Å
207	A	86.7	Confident	86.7	Confident	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.058	C	C	.	.			trans	-106.7	18.3	-172.9	0	0	0	0	0	113.7	I205 T339 P342 L395 L396 R397	I205-A207 HydrophobicContact CG2-CB 4.18Å; I205-A207 PolarHBondContact O-N 2.72Å; A207-T339 VanDerWaalsContact CA-O 3.27Å; A207-T339 WeakPolarHBondContact CA-O 3.02Å; A207-P342 HydrophobicContact CB-CB 3.66Å; A207-P342 HydrophobicContact CB-CG 3.83Å; A207-L395 HydrophobicContact CB-CD2 4.18Å; A207-L395 HydrophobicContact CB-CG 4.18Å; A207-L396 CarbonylContact C-O 3.54Å; A207-L396 WeakPolarHBondContact CA-O 3.34Å; A207-L396 PolarHBondContact N-O 2.84Å; A207-R397 HydrophobicContact CB-CB 4.02Å; A207-R397 HydrophobicContact CB-CG 4.46Å; A207-R397 WeakPolarHBondContact O-CG 3.37Å
208	D	86.3	Confident	87.1	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-48.9	144.7	172.9	-76.2	-18.4	0	0	0	111.3	L212 K214 Q217 R398	D208-L212 HydrophobicContact CB-CB 4.08Å; D208-L212 HydrophobicContact CB-CD1 4Å; D208-K214 HydrophobicContact CB-CD 4.16Å; D208-K214 HydrophobicContact CB-CG 3.85Å; D208-K214 PolarHBondContact O-NZ 3.16Å; D208-Q217 PolarHBondContact OD2-NE2 3.48Å; D208-R398 WeakPolarHBondContact OD1-CB 3.27Å; D208-R398 IonicContact OD1-CZ 2.74Å; D208-R398 PolarHBondContact OD1-N 3.46Å; D208-R398 VanDerWaalsContact OD1-N 3.13Å; D208-R398 IonicContact OD1-NE 3.85Å; D208-R398 PolarHBondContact OD1-NE 2.98Å; D208-R398 IonicContact OD1-NH2 3.21Å; D208-R398 PolarHBondContact OD1-NH2 3.45Å; D208-R398 IonicContact OD2-CZ 2.89Å; D208-R398 IonicContact OD2-NE 3.99Å; D208-R398 IonicContact OD2-NH2 2.95Å; D208-R398 PolarHBondContact OD2-NH2 3.29Å
209	E	78.2	Confident	87.4	Confident	46 Å²	46	10 Å²	10	22%	0.215	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-51.2	149.2	173.9	-164.2	-179.8	160.7	0	0	111.8	G211 L212 K214 R398 I399 K400	E209-G211 PolarHBondContact O-N 3.26Å; E209-L212 HydrophobicContact CB-CD1 3.92Å; E209-L212 HydrophobicContact CB-CG 4.44Å; E209-L212 PolarHBondContact O-N 2.96Å; E209-K214 PolarHBondContact O-NZ 3.26Å; E209-R398 PolarHBondContact N-O 3.2Å; E209-I399 WeakPolarHBondContact OE2-CA 3.35Å; E209-I399 VanDerWaalsContact OE2-CG2 3.24Å; E209-I399 WeakPolarHBondContact OE2-CG2 3.36Å; E209-K400 HydrophobicContact CB-CG 4.38Å; E209-K400 HydrophobicContact CG-CG 4.35Å; E209-K400 PolarHBondContact OE2-N 3.49Å
210	M	78.8	Confident	87.9	Confident	20 Å²	20	8.5 Å²	8.5	10%	0.099	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	136.8	-179.8	-66.4	180	65.1	0	0	110.2	K400 Q591 D594	M210-K400 WeakPolarHBondContact O-CE 3.42Å; M210-K400 PolarHBondContact O-NZ 3.43Å; M210-Q591 HydrophobicContact CE-CB 3.67Å; M210-Q591 HydrophobicContact CE-CG 3.67Å; M210-Q591 HydrophobicContact SD-CB 4.03Å; M210-Q591 HydrophobicContact SD-CG 3.47Å; M210-Q591 WeakPolarHBondContact SD-CG 3.42Å; M210-Q591 PolarHBondContact SD-NE2 3.14Å; M210-Q591 VanDerWaalsContact SD-NE2 3.35Å; M210-D594 HydrophobicContact CB-CB 4.41Å; M210-D594 WeakPolarHBondContact CB-OD2 3.33Å
211	G	77.6	Confident	88.5	Confident	9 Å²	9	6.4 Å²	6.4	9%	0.093	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-7.2	-178.3	0	0	0	0	0	116.8	E209 G213 I599	E209-G211 PolarHBondContact O-N 3.26Å; G211-G213 PolarHBondContact O-N 3.03Å; G211-I599 WeakPolarHBondContact O-CD1 3.34Å; G211-I599 VanDerWaalsContact O-CG1 3.29Å; G211-I599 WeakPolarHBondContact O-CG1 3.19Å
212	L	83.2	Confident	89.1	Confident	2 Å²	2	6.4 Å²	6.4	1%	0.01	4%	0.037	C	C	.	.	S	Bend	trans	-76.7	0.7	176.4	-74.3	177.5	0	0	0	115.3	Y186 Q187 D208 E209 R398 K400 V403 E404	Y186-L212 HydrophobicContact CE2-CB 4.13Å; Y186-L212 HydrophobicContact CE2-CD2 4.01Å; Y186-L212 VanDerWaalsContact CE2-O 3.29Å; Y186-L212 WeakPolarHBondContact CE2-O 3.46Å; Y186-L212 PolarHBondContact OH-O 3.5Å; Y186-L212 VanDerWaalsContact OH-O 3.06Å; Q187-L212 PolarHBondContact NE2-O 2.82Å; D208-L212 HydrophobicContact CB-CB 4.08Å; D208-L212 HydrophobicContact CB-CD1 4Å; E209-L212 HydrophobicContact CB-CD1 3.92Å; E209-L212 HydrophobicContact CB-CG 4.44Å; E209-L212 PolarHBondContact O-N 2.96Å; L212-R398 HydrophobicContact CD1-CB 4.36Å; L212-R398 VanDerWaalsContact CD1-O 3.26Å; L212-R398 WeakPolarHBondContact CD1-O 3.41Å; L212-K400 HydrophobicContact CD1-CG 4.47Å; L212-K400 HydrophobicContact CD2-CG 3.89Å; L212-K400 HydrophobicContact CG-CG 4.01Å; L212-V403 HydrophobicContact CD1-CG2 4.06Å; L212-V403 HydrophobicContact CD2-CG2 3.67Å; L212-E404 HydrophobicContact CD2-CB 4.2Å
213	G	87.4	Confident	89.7	Confident	12 Å²	12	6.4 Å²	6.4	12%	0.124	4%	0.037	C	C	.	.			trans	85.6	39.3	177.5	0	0	0	0	0	114.2	G211 T215 L216 Q217	G211-G213 PolarHBondContact O-N 3.03Å; G213-T215 VanDerWaalsContact C-N 3.29Å; G213-T215 PolarHBondContact O-N 3.37Å; G213-L216 PolarHBondContact O-N 3.39Å; G213-Q217 WeakPolarHBondContact O-CG 3.33Å; G213-Q217 PolarHBondContact O-N 3.37Å
214	K	90.3	Very high	89.9	Confident	15 Å²	15	6 Å²	6	7%	0.065	4%	0.035	C	C	.	.	H	α-helix	trans	-54.1	-45.2	172.7	-67.7	-169	-72.4	-77.7	0	112.4	L206 D208 E209 L216 Q217 T218	L206-K214 HydrophobicContact CD2-CB 3.93Å; L206-K214 HydrophobicContact CD2-CG 3.93Å; L206-K214 HydrophobicContact CG-CD 4.23Å; L206-K214 HydrophobicContact CG-CG 4.02Å; L206-K214 WeakPolarHBondContact O-CD 3.49Å; D208-K214 HydrophobicContact CB-CD 4.16Å; D208-K214 HydrophobicContact CB-CG 3.85Å; D208-K214 PolarHBondContact O-NZ 3.16Å; E209-K214 PolarHBondContact O-NZ 3.26Å; K214-L216 PolarHBondContact O-N 3.37Å; K214-Q217 PolarHBondContact O-N 3.48Å; K214-T218 PolarHBondContact O-N 3.37Å; K214-T218 PolarHBondContact O-OG1 2.78Å
215	T	91.9	Very high	90.1	Very high	13 Å²	13	6.1 Å²	6.1	8%	0.08	4%	0.035	C	C	.	.	H	α-helix	trans	-55	-50.9	175.9	-50.1	0	0	0	0	111.3	G213 Q217 T218 I219 W247 E250	G213-T215 VanDerWaalsContact C-N 3.29Å; G213-T215 PolarHBondContact O-N 3.37Å; T215-Q217 PolarHBondContact O-N 3.11Å; T215-T218 PolarHBondContact O-N 3.04Å; T215-I219 HydrophobicContact CG2-CD1 3.84Å; T215-I219 VanDerWaalsContact O-CG1 3.27Å; T215-I219 WeakPolarHBondContact O-CG1 3.49Å; T215-I219 PolarHBondContact O-N 3Å; T215-W247 HydrophobicContact CG2-CD2 3.72Å; T215-W247 HydrophobicContact CG2-CE3 3.76Å; T215-W247 HydrophobicContact CG2-CG 4.36Å; T215-W247 HydrophobicContact CG2-CH2 4.03Å; T215-W247 HydrophobicContact CG2-CZ2 3.94Å; T215-W247 HydrophobicContact CG2-CZ3 3.93Å; T215-E250 HydrophobicContact CG2-CB 4.12Å; T215-E250 HydrophobicContact CG2-CG 4.2Å
216	L	92.9	Very high	90.3	Very high	8 Å²	8	8.2 Å²	8.2	4%	0.042	4%	0.044	C	C	.	.	H	α-helix	trans	-60.6	-45.7	178.3	174.8	55.8	0	0	0	112.6	L183 G213 K214 T218 I219 A220 W254	L183-L216 HydrophobicContact CD2-CD1 4.3Å; L183-L216 HydrophobicContact CD2-CD2 3.85Å; L183-L216 HydrophobicContact CD2-CG 3.74Å; G213-L216 PolarHBondContact O-N 3.39Å; K214-L216 PolarHBondContact O-N 3.37Å; L216-T218 VanDerWaalsContact C-N 3.28Å; L216-T218 PolarHBondContact O-N 3.06Å; L216-I219 PolarHBondContact O-N 3.13Å; L216-A220 WeakPolarHBondContact O-CB 2.87Å; L216-A220 PolarHBondContact O-N 3.43Å; L216-W254 HydrophobicContact CD1-CB 3.75Å; L216-W254 HydrophobicContact CD1-CD2 3.41Å; L216-W254 VanDerWaalsContact CD1-CD2 3.41Å; L216-W254 HydrophobicContact CD1-CE3 3.74Å; L216-W254 HydrophobicContact CD1-CG 3.41Å; L216-W254 VanDerWaalsContact CD1-CG 3.41Å; L216-W254 HydrophobicContact CD1-CZ3 4.45Å; L216-W254 HydrophobicContact CD2-CD2 4.19Å; L216-W254 HydrophobicContact CD2-CE3 4.22Å; L216-W254 HydrophobicContact CD2-CH2 4.03Å; L216-W254 HydrophobicContact CD2-CZ2 3.97Å; L216-W254 HydrophobicContact CD2-CZ3 4.13Å; L216-W254 HydrophobicContact CG-CD2 4.4Å
217	Q	94.5	Very high	90.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.6	-41	177.6	-70.2	175.8	76	0	0	111.7	Q187 G190 L194 L206 D208 G213 K214 T215 A220 L221	Q187-Q217 HydrophobicContact CB-CG 4.05Å; Q187-Q217 HydrophobicContact CG-CG 4.35Å; G190-Q217 VanDerWaalsContact CA-OE1 3.3Å; L194-Q217 HydrophobicContact CD1-CB 4.24Å; L206-Q217 HydrophobicContact CD2-CB 4.12Å; D208-Q217 PolarHBondContact OD2-NE2 3.48Å; G213-Q217 WeakPolarHBondContact O-CG 3.33Å; G213-Q217 PolarHBondContact O-N 3.37Å; K214-Q217 PolarHBondContact O-N 3.48Å; T215-Q217 PolarHBondContact O-N 3.11Å; Q217-A220 PolarHBondContact O-N 3.28Å; Q217-L221 PolarHBondContact O-N 3.37Å
218	T	95.9	Very high	90.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.9	-44.3	175.9	-56.7	0	0	0	0	112.3	K214 T215 L216 A220 L221 L222 W247 V309 L336 L338	K214-T218 PolarHBondContact O-N 3.37Å; K214-T218 PolarHBondContact O-OG1 2.78Å; T215-T218 PolarHBondContact O-N 3.04Å; L216-T218 VanDerWaalsContact C-N 3.28Å; L216-T218 PolarHBondContact O-N 3.06Å; T218-A220 VanDerWaalsContact C-N 3.29Å; T218-A220 PolarHBondContact O-N 3.06Å; T218-L221 WeakPolarHBondContact O-CB 3.44Å; T218-L221 PolarHBondContact O-N 3.04Å; T218-L222 WeakPolarHBondContact O-CG 3.35Å; T218-L222 PolarHBondContact O-N 2.96Å; T218-W247 HydrophobicContact CG2-CH2 4.1Å; T218-W247 HydrophobicContact CG2-CZ3 4.36Å; T218-V309 HydrophobicContact CG2-CB 4.39Å; T218-V309 HydrophobicContact CG2-CG1 3.81Å; T218-V309 HydrophobicContact CG2-CG2 3.7Å; T218-L336 HydrophobicContact CG2-CD2 3.91Å; T218-L338 WeakPolarHBondContact OG1-CD2 3.4Å
219	I	96.3	Very high	90.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-40.9	176.1	-67	169.9	0	0	0	110.3	T215 L216 L221 L222 G223 W247 E250 F251 W254 V255	T215-I219 HydrophobicContact CG2-CD1 3.84Å; T215-I219 VanDerWaalsContact O-CG1 3.27Å; T215-I219 WeakPolarHBondContact O-CG1 3.49Å; T215-I219 PolarHBondContact O-N 3Å; L216-I219 PolarHBondContact O-N 3.13Å; I219-L221 VanDerWaalsContact C-N 3.31Å; I219-L221 PolarHBondContact O-N 3.31Å; I219-L222 PolarHBondContact O-N 3.19Å; I219-G223 PolarHBondContact O-N 3.25Å; I219-W247 HydrophobicContact CD1-CE3 4.46Å; I219-W247 HydrophobicContact CG1-CE3 4.42Å; I219-W247 HydrophobicContact CG1-CZ3 4.15Å; I219-E250 HydrophobicContact CD1-CB 3.59Å; I219-F251 HydrophobicContact CB-CD1 4.39Å; I219-F251 HydrophobicContact CB-CE1 4.23Å; I219-F251 HydrophobicContact CD1-CD1 4.21Å; I219-F251 HydrophobicContact CD1-CD2 4.4Å; I219-F251 HydrophobicContact CD1-CE1 4.42Å; I219-F251 HydrophobicContact CD1-CG 4.17Å; I219-F251 HydrophobicContact CG1-CD1 3.88Å; I219-F251 HydrophobicContact CG1-CE1 3.67Å; I219-F251 HydrophobicContact CG1-CE2 4.33Å; I219-F251 HydrophobicContact CG1-CG 4.3Å; I219-F251 HydrophobicContact CG1-CZ 3.89Å; I219-F251 HydrophobicContact CG2-CD1 3.75Å; I219-F251 HydrophobicContact CG2-CE1 3.96Å; I219-W254 HydrophobicContact CG2-CB 4.47Å; I219-V255 HydrophobicContact CG2-CB 3.87Å; I219-V255 HydrophobicContact CG2-CG2 3.62Å
220	A	95.7	Very high	91.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-34.5	177.1	0	0	0	0	0	112.5	Y177 V178 L191 L216 Q217 T218 G223 Y224	Y177-A220 WeakPolarHBondContact CE2-O 3.3Å; Y177-A220 PolarHBondContact OH-O 3.44Å; V178-A220 HydrophobicContact CG2-CB 4.33Å; L191-A220 HydrophobicContact CD1-CB 4.01Å; L191-A220 HydrophobicContact CD2-CB 4.06Å; L216-A220 WeakPolarHBondContact O-CB 2.87Å; L216-A220 PolarHBondContact O-N 3.43Å; Q217-A220 PolarHBondContact O-N 3.28Å; T218-A220 VanDerWaalsContact C-N 3.29Å; T218-A220 PolarHBondContact O-N 3.06Å; A220-G223 PolarHBondContact O-N 3.05Å; A220-Y224 PolarHBondContact O-N 3.4Å
221	L	95.8	Very high	91.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-47.1	171.7	175.6	69	0	0	0	111.3	L191 L194 I195 Q217 T218 I219 G223 Y224 L225 Y307	L191-L221 HydrophobicContact CD1-CB 4.11Å; L194-L221 HydrophobicContact CB-CD1 3.97Å; L194-L221 HydrophobicContact CB-CD2 4.01Å; L194-L221 HydrophobicContact CB-CG 4.39Å; L194-L221 HydrophobicContact CD1-CB 4.32Å; L194-L221 HydrophobicContact CD1-CD2 4.32Å; I195-L221 HydrophobicContact CG1-CD1 4.11Å; Q217-L221 PolarHBondContact O-N 3.37Å; T218-L221 WeakPolarHBondContact O-CB 3.44Å; T218-L221 PolarHBondContact O-N 3.04Å; I219-L221 VanDerWaalsContact C-N 3.31Å; I219-L221 PolarHBondContact O-N 3.31Å; L221-G223 VanDerWaalsContact C-N 3.26Å; L221-G223 PolarHBondContact O-N 3.46Å; L221-Y224 WeakPolarHBondContact O-CB 3.44Å; L221-Y224 PolarHBondContact O-N 3.48Å; L221-Y224 VanDerWaalsContact O-N 3.09Å; L221-L225 WeakPolarHBondContact O-CG 3.46Å; L221-L225 PolarHBondContact O-N 3.27Å; L221-Y307 HydrophobicContact CD2-CE1 4.29Å; L221-Y307 HydrophobicContact CD2-CE2 3.73Å; L221-Y307 HydrophobicContact CG-CE2 4.5Å
222	L	96.4	Very high	92.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-36	176.9	-60.9	-177.4	0	0	0	111.5	T218 I219 L225 K226 H235 V237 F251 L258 V285 Y307	T218-L222 WeakPolarHBondContact O-CG 3.35Å; T218-L222 PolarHBondContact O-N 2.96Å; I219-L222 PolarHBondContact O-N 3.19Å; L222-L225 HydrophobicContact CD2-CD1 4.2Å; L222-L225 PolarHBondContact O-N 2.91Å; L222-K226 PolarHBondContact O-N 3.37Å; L222-K226 VanDerWaalsContact O-N 3.15Å; L222-H235 HydrophobicContact CD1-CB 4.44Å; L222-H235 HydrophobicContact CD2-CB 4.17Å; L222-V237 HydrophobicContact CD1-CG2 4.32Å; L222-F251 HydrophobicContact CD1-CE1 4.04Å; L222-F251 HydrophobicContact CD1-CZ 3.95Å; L222-L258 HydrophobicContact CB-CD1 4.04Å; L222-V285 HydrophobicContact CD1-CG1 4.25Å; L222-V285 HydrophobicContact CD1-CG2 4.08Å; L222-Y307 HydrophobicContact CD2-CG 4.25Å
223	G	95.5	Very high	92.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-41	170.9	0	0	0	0	0	112.9	I219 A220 L221 L225 K226 H227	I219-G223 PolarHBondContact O-N 3.25Å; A220-G223 PolarHBondContact O-N 3.05Å; L221-G223 VanDerWaalsContact C-N 3.26Å; L221-G223 PolarHBondContact O-N 3.46Å; G223-L225 VanDerWaalsContact C-N 3.34Å; G223-L225 PolarHBondContact O-N 3.16Å; G223-K226 PolarHBondContact O-N 2.88Å; G223-H227 PolarHBondContact O-CD2 3.36Å; G223-H227 PolarHBondContact O-N 3.43Å
224	Y	94.9	Very high	93.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-45.3	174.8	166.2	-100.6	0	0	0	111.1	I169 F171 Y177 I195 Y198 E199 A220 L221 K226 H227 Y228 R229	I169-Y224 HydrophobicContact CB-CE2 4.16Å; I169-Y224 HydrophobicContact CD1-CE2 4.37Å; I169-Y224 HydrophobicContact CG2-CE2 4.24Å; F171-Y224 AromaticContact CE2-CD2 3.71Å; F171-Y224 HydrophobicContact CE2-CD2 3.71Å; F171-Y224 HydrophobicContact CE2-CE2 4.26Å; F171-Y224 HydrophobicContact CZ-CD2 4.01Å; Y177-Y224 WeakPolarHBondContact OH-CA 3.5Å; Y177-Y224 VanDerWaalsContact OH-CB 3.32Å; Y177-Y224 WeakPolarHBondContact OH-CB 3.43Å; Y177-Y224 PolarHBondContact OH-N 3.13Å; Y177-Y224 VanDerWaalsContact OH-N 3.16Å; I195-Y224 HydrophobicContact CB-CE1 4.42Å; I195-Y224 HydrophobicContact CD1-CD1 4.24Å; I195-Y224 HydrophobicContact CD1-CD2 3.85Å; I195-Y224 HydrophobicContact CD1-CE1 4.45Å; I195-Y224 HydrophobicContact CD1-CE2 4.08Å; I195-Y224 HydrophobicContact CD1-CG 3.91Å; I195-Y224 HydrophobicContact CG1-CD1 3.8Å; I195-Y224 HydrophobicContact CG1-CD2 4.32Å; I195-Y224 HydrophobicContact CG1-CE1 3.95Å; I195-Y224 HydrophobicContact CG1-CE2 4.44Å; I195-Y224 HydrophobicContact CG1-CG 3.98Å; I195-Y224 HydrophobicContact CG2-CE1 3.81Å; I195-Y224 HydrophobicContact CG2-CE2 4.31Å; Y198-Y224 HydrophobicContact CD1-CE1 4.35Å; E199-Y224 PolarHBondContact OE1-OH 3.03Å; A220-Y224 PolarHBondContact O-N 3.4Å; L221-Y224 WeakPolarHBondContact O-CB 3.44Å; L221-Y224 PolarHBondContact O-N 3.48Å; L221-Y224 VanDerWaalsContact O-N 3.09Å; Y224-K226 VanDerWaalsContact C-N 3.31Å; Y224-K226 PolarHBondContact O-N 2.95Å; Y224-H227 PolarHBondContact O-N 3.35Å; Y224-Y228 HydrophobicContact CD2-CD2 4.04Å; Y224-Y228 AromaticContact CD2-CG 3.91Å; Y224-Y228 HydrophobicContact CD2-CG 3.91Å; Y224-Y228 HydrophobicContact CE2-CG 4.05Å; Y224-Y228 WeakPolarHBondContact O-CB 3.27Å; Y224-Y228 PolarHBondContact O-N 3.28Å; Y224-R229 HydrophobicContact CD1-CG 4.47Å; Y224-R229 HydrophobicContact CE1-CG 3.78Å; Y224-R229 PolarHBondContact O-N 2.97Å; Y224-R229 PolarHBondContact OH-NE 3.47Å; Y224-R229 VanDerWaalsContact OH-NE 3.12Å; Y224-R229 PolarHBondContact OH-NH2 3.19Å
225	L	93.6	Very high	93.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-58.5	-44.6	178.5	-63.3	179.2	0	0	0	111.5	Y198 L221 L222 G223 R229 N230 I231 Y307	Y198-L225 HydrophobicContact CD1-CD2 3.91Å; Y198-L225 HydrophobicContact CD2-CD2 3.84Å; Y198-L225 HydrophobicContact CE1-CD2 3.55Å; Y198-L225 HydrophobicContact CE2-CD1 4.42Å; Y198-L225 HydrophobicContact CE2-CD2 3.45Å; Y198-L225 VanDerWaalsContact CE2-CD2 3.45Å; Y198-L225 HydrophobicContact CG-CD2 4.03Å; L221-L225 WeakPolarHBondContact O-CG 3.46Å; L221-L225 PolarHBondContact O-N 3.27Å; L222-L225 HydrophobicContact CD2-CD1 4.2Å; L222-L225 PolarHBondContact O-N 2.91Å; G223-L225 VanDerWaalsContact C-N 3.34Å; G223-L225 PolarHBondContact O-N 3.16Å; L225-R229 CarbonylContact O-C 3.57Å; L225-R229 VanDerWaalsContact O-C 3.31Å; L225-R229 WeakPolarHBondContact O-CA 3.44Å; L225-R229 WeakPolarHBondContact O-CB 3.36Å; L225-R229 PolarHBondContact O-N 3.24Å; L225-N230 PolarHBondContact O-N 2.88Å; L225-I231 CarbonylContact C-O 3.36Å; L225-I231 HydrophobicContact CB-CB 4.49Å; L225-I231 WeakPolarHBondContact CB-O 3.43Å; L225-I231 PolarHBondContact O-N 3.41Å; L225-Y307 HydrophobicContact CD1-CD2 3.67Å; L225-Y307 HydrophobicContact CD1-CE2 4.37Å; L225-Y307 HydrophobicContact CD1-CG 4.47Å
226	K	94.3	Very high	93.6	Very high	46 Å²	46	27.9 Å²	27.9	20%	0.2	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-52.5	177	179.2	165.8	-177.5	163	0	112.8	L222 G223 Y224 N230 I231 P232 S257 L258 D284	L222-K226 PolarHBondContact O-N 3.37Å; L222-K226 VanDerWaalsContact O-N 3.15Å; G223-K226 PolarHBondContact O-N 2.88Å; Y224-K226 VanDerWaalsContact C-N 3.31Å; Y224-K226 PolarHBondContact O-N 2.95Å; K226-N230 WeakPolarHBondContact O-CA 3.43Å; K226-N230 PolarHBondContact O-N 3.07Å; K226-I231 PolarHBondContact N-O 3.17Å; K226-P232 HydrophobicContact CD-CB 4.23Å; K226-P232 HydrophobicContact CG-CB 4.16Å; K226-S257 PolarHBondContact NZ-O 2.83Å; K226-L258 HydrophobicContact CB-CD2 4.1Å; K226-L258 HydrophobicContact CD-CD2 3.67Å; K226-L258 HydrophobicContact CD-CG 4.46Å; K226-D284 IonicContact NZ-OD2 3.14Å; K226-D284 PolarHBondContact NZ-OD2 3.39Å
227	H	92.8	Very high	93.8	Very high	87 Å²	87	27.5 Å²	27.5	40%	0.403	14%	0.138	S	C	.	.	H	α-helix	trans	-86.6	-31.1	-166.8	-71.2	-73.3	0	0	0	114.4	Y177 G223 Y224 S257	Y177-H227 WeakPolarHBondContact CB-CD2 3.35Å; Y177-H227 WeakPolarHBondContact CB-NE2 3.34Å; Y177-H227 HydrophobicContact CD1-CB 3.87Å; Y177-H227 AromaticContact CD1-CD2 3.71Å; Y177-H227 AromaticContact CD1-CG 3.96Å; Y177-H227 HydrophobicContact CE1-CB 4.37Å; Y177-H227 AromaticContact CG-CD2 3.46Å; Y177-H227 VanDerWaalsContact CG-CD2 3.46Å; G223-H227 PolarHBondContact O-CD2 3.36Å; G223-H227 PolarHBondContact O-N 3.43Å; Y224-H227 PolarHBondContact O-N 3.35Å; H227-S257 PolarHBondContact NE2-OG 3.11Å
228	Y	90.3	Very high	93.8	Very high	94 Å²	94	27.5 Å²	27.5	37%	0.369	14%	0.138	S	C	.	.	H	α-helix	trans	-109	-27.9	-175.4	-76.5	-96.1	0	0	0	113.3	I169 F171 Y177 Y224	I169-Y228 HydrophobicContact CD1-CD1 3.73Å; I169-Y228 HydrophobicContact CD1-CG 4.47Å; I169-Y228 HydrophobicContact CG2-CD1 4.19Å; I169-Y228 HydrophobicContact CG2-CE1 4.26Å; F171-Y228 HydrophobicContact CE1-CE1 4.35Å; F171-Y228 AromaticContact CE1-CE2 3.94Å; F171-Y228 HydrophobicContact CE1-CE2 3.94Å; F171-Y228 AromaticContact CE1-CZ 3.71Å; F171-Y228 AromaticContact CZ-CD2 3.99Å; F171-Y228 HydrophobicContact CZ-CD2 3.99Å; F171-Y228 HydrophobicContact CZ-CE1 4.23Å; F171-Y228 AromaticContact CZ-CE2 3.63Å; F171-Y228 HydrophobicContact CZ-CE2 3.63Å; F171-Y228 HydrophobicContact CZ-CG 4.45Å; F171-Y228 AromaticContact CZ-CZ 3.75Å; Y177-Y228 HydrophobicContact CD1-CD2 4.38Å; Y177-Y228 AromaticContact CD1-CE2 3.97Å; Y177-Y228 HydrophobicContact CD1-CE2 3.97Å; Y177-Y228 AromaticContact CE1-CD2 3.85Å; Y177-Y228 HydrophobicContact CE1-CD2 3.85Å; Y177-Y228 AromaticContact CE1-CE2 3.63Å; Y177-Y228 HydrophobicContact CE1-CE2 3.63Å; Y224-Y228 HydrophobicContact CD2-CD2 4.04Å; Y224-Y228 AromaticContact CD2-CG 3.91Å; Y224-Y228 HydrophobicContact CD2-CG 3.91Å; Y224-Y228 HydrophobicContact CE2-CG 4.05Å; Y224-Y228 WeakPolarHBondContact O-CB 3.27Å; Y224-Y228 PolarHBondContact O-N 3.28Å
229	R	88.6	Confident	93.6	Very high	79 Å²	79	27.5 Å²	27.5	30%	0.298	14%	0.138	S	C	.	.	S	Bend	trans	-106	-1.1	176.8	-62.2	-60.3	-171.8	-157.1	3.4	113.7	Y198 E199 Y224 L225 I231	Y198-R229 HydrophobicContact CE1-CG 4.17Å; E199-R229 IonicContact OE1-CZ 3.48Å; E199-R229 IonicContact OE1-NE 3.66Å; E199-R229 PolarHBondContact OE1-NE 2.96Å; E199-R229 IonicContact OE1-NH2 3.7Å; E199-R229 PolarHBondContact OE1-NH2 3.12Å; E199-R229 IonicContact OE2-CZ 2.87Å; E199-R229 IonicContact OE2-NE 2.96Å; E199-R229 IonicContact OE2-NH2 2.89Å; E199-R229 PolarHBondContact OE2-NH2 3.39Å; Y224-R229 HydrophobicContact CD1-CG 4.47Å; Y224-R229 HydrophobicContact CE1-CG 3.78Å; Y224-R229 PolarHBondContact O-N 2.97Å; Y224-R229 PolarHBondContact OH-NE 3.47Å; Y224-R229 VanDerWaalsContact OH-NE 3.12Å; Y224-R229 PolarHBondContact OH-NH2 3.19Å; L225-R229 CarbonylContact O-C 3.57Å; L225-R229 VanDerWaalsContact O-C 3.31Å; L225-R229 WeakPolarHBondContact O-CA 3.44Å; L225-R229 WeakPolarHBondContact O-CB 3.36Å; L225-R229 PolarHBondContact O-N 3.24Å; R229-I231 HydrophobicContact CB-CD1 4.07Å; R229-I231 HydrophobicContact CB-CG1 4.48Å; R229-I231 WeakPolarHBondContact O-CG1 3.42Å; R229-I231 PolarHBondContact O-N 2.84Å
230	N	90.4	Very high	93.2	Very high	143 Å²	143	28.7 Å²	28.7	77%	0.765	15%	0.146	S	C	*	.			trans	53.7	33.4	-177.9	-160	31.6	0	0	0	113.5	L225 K226 P232	L225-N230 PolarHBondContact O-N 2.88Å; K226-N230 WeakPolarHBondContact O-CA 3.43Å; K226-N230 PolarHBondContact O-N 3.07Å; N230-P232 WeakPolarHBondContact O-CD 3.44Å
231	I	90.9	Very high	92.6	Very high	28 Å²	28	34.7 Å²	34.7	14%	0.144	17%	0.172	C	C	.	.			trans	-115.6	89.1	177.9	-63.2	160.1	0	0	0	107.3	K86 Y198 L225 K226 R229 R306	K86-I231 VanDerWaalsContact NZ-CD1 3.26Å; Y198-I231 WeakPolarHBondContact OH-CD1 3.17Å; L225-I231 CarbonylContact C-O 3.36Å; L225-I231 HydrophobicContact CB-CB 4.49Å; L225-I231 WeakPolarHBondContact CB-O 3.43Å; L225-I231 PolarHBondContact O-N 3.41Å; K226-I231 PolarHBondContact N-O 3.17Å; R229-I231 HydrophobicContact CB-CD1 4.07Å; R229-I231 HydrophobicContact CB-CG1 4.48Å; R229-I231 WeakPolarHBondContact O-CG1 3.42Å; R229-I231 PolarHBondContact O-N 2.84Å; I231-R306 HydrophobicContact CG2-CB 4.06Å; I231-R306 HydrophobicContact CG2-CG 3.82Å
232	P	88.7	Confident	91.6	Very high	46 Å²	46	35.6 Å²	35.6	30%	0.299	18%	0.179	S	C	.	.			trans	-73.7	-26.2	-179.7	28	-33.8	0	0	0	113.1	K226 N230 H235 D284	K226-P232 HydrophobicContact CD-CB 4.23Å; K226-P232 HydrophobicContact CG-CB 4.16Å; N230-P232 WeakPolarHBondContact O-CD 3.44Å; P232-H235 PolarHBondContact O-CD2 2.95Å; P232-H235 PolarHBondContact O-NE2 2.81Å; P232-D284 WeakPolarHBondContact O-CA 3.35Å; P232-D284 VanDerWaalsContact O-CB 3.23Å; P232-D284 WeakPolarHBondContact O-CB 3.49Å
233	G	90.6	Very high	90.9	Very high	19 Å²	19	36 Å²	36	20%	0.196	18%	0.181	C	C	.	.			trans	168.6	-168.1	-174.9	0	0	0	0	0	113.7	D284 R306	G233-D284 WeakPolarHBondContact CA-O 3.09Å; G233-R306 WeakPolarHBondContact O-CG 3.49Å
234	P	95	Very high	90.6	Very high	34 Å²	34	36.1 Å²	36.1	22%	0.221	18%	0.181	C	C	.	.			cis	-78.8	130.9	-0.5	30.8	-33.6	0	0	0	111.8	W283 W305 R306	P234-W283 HydrophobicContact CB-CH2 3.8Å; P234-W283 HydrophobicContact CB-CZ3 3.68Å; P234-W305 HydrophobicContact CB-CE3 4Å; P234-W305 HydrophobicContact CB-CZ3 4.01Å; P234-W305 HydrophobicContact CG-CE3 4.44Å; P234-R306 PolarHBondContact O-N 2.84Å
235	H	96.4	Very high	90	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	145.1	172.7	-57.8	-57.5	0	0	0	110.7	L222 P232 D284 V285 C286 W305 Y307	L222-H235 HydrophobicContact CD1-CB 4.44Å; L222-H235 HydrophobicContact CD2-CB 4.17Å; P232-H235 PolarHBondContact O-CD2 2.95Å; P232-H235 PolarHBondContact O-NE2 2.81Å; H235-D284 PolarHBondContact N-O 3.38Å; H235-V285 HydrophobicContact CB-CG1 4.33Å; H235-V285 HydrophobicContact CB-CG2 4.22Å; H235-V285 WeakPolarHBondContact O-CA 3.17Å; H235-C286 PolarHBondContact O-N 3.28Å; H235-W305 WeakPolarHBondContact O-CZ3 3.46Å; H235-Y307 WeakPolarHBondContact CA-O 3.44Å; H235-Y307 WeakPolarHBondContact ND1-CB 3.45Å; H235-Y307 PolarHBondContact ND1-N 2.95Å
236	M	96.2	Very high	89.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.4	176.3	-168.3	168.5	63	0	0	110.9	L238 C286 F300 W305 Y307 L308 V309 F330	M236-L238 HydrophobicContact CE-CD1 4.07Å; M236-L238 HydrophobicContact CE-CD2 3.95Å; M236-L238 HydrophobicContact CE-CG 4.06Å; M236-L238 HydrophobicContact CG-CD2 3.74Å; M236-L238 HydrophobicContact CG-CG 4.34Å; M236-L238 HydrophobicContact SD-CD2 3.73Å; M236-L238 HydrophobicContact SD-CG 4.46Å; M236-C286 WeakPolarHBondContact CA-O 3.44Å; M236-F300 HydrophobicContact SD-CD1 3.67Å; M236-F300 HydrophobicContact SD-CE1 4.09Å; M236-W305 HydrophobicContact CB-CD2 3.77Å; M236-W305 HydrophobicContact CB-CE3 3.5Å; M236-W305 HydrophobicContact CB-CG 4.42Å; M236-W305 HydrophobicContact CB-CH2 4.15Å; M236-W305 HydrophobicContact CB-CZ2 4.44Å; M236-W305 HydrophobicContact CB-CZ3 3.67Å; M236-W305 HydrophobicContact CG-CE3 4.5Å; M236-W305 HydrophobicContact CG-CH2 4.33Å; M236-W305 HydrophobicContact CG-CZ3 4.32Å; M236-W305 HydrophobicContact SD-CD2 4.41Å; M236-W305 HydrophobicContact SD-CH2 4.27Å; M236-W305 HydrophobicContact SD-CZ2 3.91Å; M236-Y307 PolarHBondContact N-O 3.44Å; M236-L308 HydrophobicContact CE-CD1 3.41Å; M236-L308 VanDerWaalsContact CE-CD1 3.41Å; M236-L308 HydrophobicContact CE-CD2 4.45Å; M236-L308 HydrophobicContact CE-CG 3.57Å; M236-V309 PolarHBondContact O-N 3.02Å; M236-F330 HydrophobicContact CE-CD2 3.67Å; M236-F330 HydrophobicContact CE-CE2 3.99Å
237	V	97	Very high	89.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	112	175.1	-171.1	0	0	0	0	108.8	L222 V239 W247 F251 V285 C286 V287 T288 V309	L222-V237 HydrophobicContact CD1-CG2 4.32Å; V237-V239 HydrophobicContact CG1-CG1 3.61Å; V237-W247 HydrophobicContact CG1-CD2 4.09Å; V237-W247 HydrophobicContact CG1-CE3 3.78Å; V237-W247 HydrophobicContact CG1-CH2 3.85Å; V237-W247 HydrophobicContact CG1-CZ2 4.18Å; V237-W247 HydrophobicContact CG1-CZ3 3.65Å; V237-F251 HydrophobicContact CG2-CZ 4.27Å; V237-V285 HydrophobicContact CG2-CG1 3.65Å; V237-C286 PolarHBondContact N-O 2.85Å; V237-V287 HydrophobicContact CB-CG2 4.25Å; V237-V287 WeakPolarHBondContact O-CA 3.41Å; V237-T288 PolarHBondContact O-N 2.92Å; V237-V309 HydrophobicContact CB-CB 4.42Å; V237-V309 HydrophobicContact CG1-CB 4.14Å; V237-V309 HydrophobicContact CG1-CG1 4.13Å; V237-V309 HydrophobicContact CG2-CB 4.22Å; V237-V309 HydrophobicContact CG2-CG2 4.42Å
238	L	95.1	Very high	89.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	120	178.4	-56.8	-170	0	0	0	109.5	M236 T288 Y290 V293 V309 I310 D311 V327	M236-L238 HydrophobicContact CE-CD1 4.07Å; M236-L238 HydrophobicContact CE-CD2 3.95Å; M236-L238 HydrophobicContact CE-CG 4.06Å; M236-L238 HydrophobicContact CG-CD2 3.74Å; M236-L238 HydrophobicContact CG-CG 4.34Å; M236-L238 HydrophobicContact SD-CD2 3.73Å; M236-L238 HydrophobicContact SD-CG 4.46Å; L238-T288 WeakPolarHBondContact CA-O 3.41Å; L238-T288 HydrophobicContact CD2-CG2 3.34Å; L238-Y290 HydrophobicContact CB-CD1 4.29Å; L238-Y290 HydrophobicContact CB-CE1 3.93Å; L238-V293 HydrophobicContact CD1-CG2 4.3Å; L238-V293 HydrophobicContact CD2-CG2 3.38Å; L238-V293 HydrophobicContact CG-CG2 4.46Å; L238-V309 PolarHBondContact N-O 2.71Å; L238-I310 HydrophobicContact CB-CG1 4.43Å; L238-I310 HydrophobicContact CD1-CD1 4.5Å; L238-I310 HydrophobicContact CD1-CG1 4.3Å; L238-D311 PolarHBondContact O-N 3.23Å; L238-V327 HydrophobicContact CD1-CG1 4.39Å; L238-V327 HydrophobicContact CD1-CG2 3.73Å
239	V	92.1	Very high	89.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.6	-174	-49.6	0	0	0	0	111.1	V237 K241 T243 L244 W247 V287 T288 S289 D311	V237-V239 HydrophobicContact CG1-CG1 3.61Å; V239-K241 PolarHBondContact O-N 3.38Å; V239-T243 WeakPolarHBondContact CB-OG1 3.29Å; V239-L244 HydrophobicContact CG2-CD2 3.46Å; V239-L244 VanDerWaalsContact CG2-CD2 3.46Å; V239-L244 HydrophobicContact CG2-CG 3.93Å; V239-W247 HydrophobicContact CG1-CD2 4.04Å; V239-W247 HydrophobicContact CG1-CG 3.98Å; V239-W247 HydrophobicContact CG1-CZ2 4.36Å; V239-V287 HydrophobicContact CG1-CG1 4.47Å; V239-V287 HydrophobicContact CG2-CG1 4.08Å; V239-T288 PolarHBondContact N-O 3.38Å; V239-S289 WeakPolarHBondContact O-CA 3.37Å; V239-D311 HydrophobicContact CB-CB 4.27Å; V239-D311 HydrophobicContact CG1-CB 3.88Å
240	P	86.2	Confident	89.6	Confident	25 Å²	25	34.9 Å²	34.9	16%	0.162	19%	0.188	C	C	.	.			trans	-55.6	140.5	167.4	-23.6	32.6	0	0	0	111.1	S242 T243 Y290 E312	P240-S242 PolarHBondContact O-N 2.98Å; P240-T243 HydrophobicContact CB-CG2 4.37Å; P240-T243 WeakPolarHBondContact CD-OG1 3.25Å; P240-T243 PolarHBondContact O-N 3.4Å; P240-T243 PolarHBondContact O-OG1 3.16Å; P240-Y290 HydrophobicContact CG-CE2 4.25Å; P240-E312 HydrophobicContact CG-CB 3.91Å; P240-E312 HydrophobicContact CG-CG 4.04Å
241	K	83.2	Confident	89.8	Confident	125 Å²	125	28.2 Å²	28.2	54%	0.543	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-49.3	-36.4	-178.2	-174.7	180	177.9	-174.1	0	113.2	V239 T243 L244	V239-K241 PolarHBondContact O-N 3.38Å; K241-T243 PolarHBondContact O-N 3.3Å; K241-L244 HydrophobicContact CG-CD1 4.15Å; K241-L244 WeakPolarHBondContact O-CD1 3.39Å; K241-L244 WeakPolarHBondContact O-CG 3.21Å
242	S	75.2	Confident	90	Very high	20 Å²	20	34.6 Å²	34.6	14%	0.14	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-69.5	-14.8	179.5	56.8	0	0	0	0	115.6	P240 L567	P240-S242 PolarHBondContact O-N 2.98Å; S242-L567 VanDerWaalsContact CB-CD2 3.47Å; S242-L567 WeakPolarHBondContact OG-CD2 3.47Å
243	T	83	Confident	90.1	Very high	8 Å²	8	39 Å²	39	5%	0.049	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-107.3	-3.7	-176.4	64.1	0	0	0	0	113.2	V239 P240 K241 H245 N246 W247	V239-T243 WeakPolarHBondContact CB-OG1 3.29Å; P240-T243 HydrophobicContact CB-CG2 4.37Å; P240-T243 WeakPolarHBondContact CD-OG1 3.25Å; P240-T243 PolarHBondContact O-N 3.4Å; P240-T243 PolarHBondContact O-OG1 3.16Å; K241-T243 PolarHBondContact O-N 3.3Å; T243-H245 PolarHBondContact O-N 3.31Å; T243-N246 WeakPolarHBondContact O-CB 3.47Å; T243-N246 PolarHBondContact O-N 3.14Å; T243-W247 PolarHBondContact O-N 3.38Å
244	L	87.7	Confident	90.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-50.4	-56	179.3	-73.9	170.1	0	0	0	111.7	V239 K241 N246 W247 M248 V264 V287	V239-L244 HydrophobicContact CG2-CD2 3.46Å; V239-L244 VanDerWaalsContact CG2-CD2 3.46Å; V239-L244 HydrophobicContact CG2-CG 3.93Å; K241-L244 HydrophobicContact CG-CD1 4.15Å; K241-L244 WeakPolarHBondContact O-CD1 3.39Å; K241-L244 WeakPolarHBondContact O-CG 3.21Å; L244-N246 VanDerWaalsContact C-N 3.35Å; L244-N246 PolarHBondContact O-N 2.91Å; L244-W247 WeakPolarHBondContact O-CB 3.43Å; L244-W247 PolarHBondContact O-N 3.05Å; L244-W247 VanDerWaalsContact O-N 3.15Å; L244-M248 WeakPolarHBondContact O-CG 3.46Å; L244-M248 PolarHBondContact O-N 3.5Å; L244-V264 HydrophobicContact CD1-CB 4.13Å; L244-V264 HydrophobicContact CD1-CG2 4.09Å; L244-V287 HydrophobicContact CD2-CG1 3.88Å
245	H	83.5	Confident	90.3	Very high	65 Å²	65	37.9 Å²	37.9	30%	0.301	18%	0.175	S	C	.	.	H	α-helix	trans	-65.1	-37.6	-178.7	-64.6	85	0	0	0	112.5	T243 W247 M248 N249 H538 E542	T243-H245 PolarHBondContact O-N 3.31Å; H245-W247 VanDerWaalsContact C-N 3.34Å; H245-W247 PolarHBondContact O-N 2.65Å; H245-M248 PolarHBondContact O-N 3.25Å; H245-N249 WeakPolarHBondContact O-CB 3.3Å; H245-N249 VanDerWaalsContact O-CG 3.28Å; H245-N249 PolarHBondContact O-N 3.27Å; H245-N249 PolarHBondContact O-ND2 2.89Å; H245-H538 AromaticContact CD2-CE1 3.83Å; H245-H538 AromaticContact CE1-CD2 3.93Å; H245-H538 AromaticContact CE1-CE1 3.25Å; H245-H538 PolarHBondContact CE1-CE1 3.39Å; H245-H538 AromaticContact CE1-ND1 3.7Å; H245-H538 AromaticContact CE1-NE2 3.39Å; H245-H538 PolarHBondContact CE1-NE2 3.21Å; H245-H538 AromaticContact CG-CE1 3.3Å; H245-H538 AromaticContact CG-NE2 3.66Å; H245-H538 AromaticContact ND1-CD2 3.81Å; H245-H538 AromaticContact ND1-CE1 2.9Å; H245-H538 PolarHBondContact ND1-CE1 2.71Å; H245-H538 AromaticContact ND1-ND1 3.8Å; H245-H538 AromaticContact ND1-NE2 2.86Å; H245-H538 PolarHBondContact ND1-NE2 3.19Å; H245-H538 AromaticContact NE2-CE1 3.83Å; H245-E542 WeakPolarHBondContact CB-OE1 3.05Å; H245-E542 IonicContact CD2-OE1 3.59Å; H245-E542 IonicContact CG-OE1 3.75Å
246	N	84.8	Confident	90.1	Very high	37 Å²	37	41.4 Å²	41.4	20%	0.198	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-45.3	173	179.3	83.6	0	0	0	111.3	T243 L244 N249 E250	T243-N246 WeakPolarHBondContact O-CB 3.47Å; T243-N246 PolarHBondContact O-N 3.14Å; L244-N246 VanDerWaalsContact C-N 3.35Å; L244-N246 PolarHBondContact O-N 2.91Å; N246-N249 PolarHBondContact O-N 2.83Å; N246-E250 WeakPolarHBondContact O-CB 3.15Å; N246-E250 WeakPolarHBondContact O-CG 3.46Å; N246-E250 PolarHBondContact O-N 2.81Å
247	W	92.4	Very high	90	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-44.4	175.5	-87.3	87.6	0	0	0	112	T215 T218 I219 V237 V239 T243 L244 H245 N249 E250 F251 V287 V309 D311 L338	T215-W247 HydrophobicContact CG2-CD2 3.72Å; T215-W247 HydrophobicContact CG2-CE3 3.76Å; T215-W247 HydrophobicContact CG2-CG 4.36Å; T215-W247 HydrophobicContact CG2-CH2 4.03Å; T215-W247 HydrophobicContact CG2-CZ2 3.94Å; T215-W247 HydrophobicContact CG2-CZ3 3.93Å; T218-W247 HydrophobicContact CG2-CH2 4.1Å; T218-W247 HydrophobicContact CG2-CZ3 4.36Å; I219-W247 HydrophobicContact CD1-CE3 4.46Å; I219-W247 HydrophobicContact CG1-CE3 4.42Å; I219-W247 HydrophobicContact CG1-CZ3 4.15Å; V237-W247 HydrophobicContact CG1-CD2 4.09Å; V237-W247 HydrophobicContact CG1-CE3 3.78Å; V237-W247 HydrophobicContact CG1-CH2 3.85Å; V237-W247 HydrophobicContact CG1-CZ2 4.18Å; V237-W247 HydrophobicContact CG1-CZ3 3.65Å; V239-W247 HydrophobicContact CG1-CD2 4.04Å; V239-W247 HydrophobicContact CG1-CG 3.98Å; V239-W247 HydrophobicContact CG1-CZ2 4.36Å; T243-W247 PolarHBondContact O-N 3.38Å; L244-W247 WeakPolarHBondContact O-CB 3.43Å; L244-W247 PolarHBondContact O-N 3.05Å; L244-W247 VanDerWaalsContact O-N 3.15Å; H245-W247 VanDerWaalsContact C-N 3.34Å; H245-W247 PolarHBondContact O-N 2.65Å; W247-N249 PolarHBondContact O-N 2.99Å; W247-E250 PolarHBondContact O-N 2.86Å; W247-F251 HydrophobicContact CE3-CD2 4.41Å; W247-F251 AromaticContact CE3-CE2 3.68Å; W247-F251 HydrophobicContact CE3-CE2 3.68Å; W247-F251 HydrophobicContact CE3-CZ 4.21Å; W247-F251 HydrophobicContact CZ3-CE2 4.26Å; W247-F251 HydrophobicContact CZ3-CZ 4.34Å; W247-F251 WeakPolarHBondContact O-CD2 3.49Å; W247-F251 PolarHBondContact O-N 2.98Å; W247-V287 HydrophobicContact CB-CG1 4.14Å; W247-V309 HydrophobicContact CH2-CG1 4.26Å; W247-D311 HydrophobicContact CZ2-CB 3.93Å; W247-D311 PolarHBondContact NE1-OD2 2.7Å; W247-L338 HydrophobicContact CH2-CD1 3.68Å; W247-L338 HydrophobicContact CZ2-CD1 3.64Å
248	M	92.1	Very high	89.9	Confident	46 Å²	46	43.9 Å²	43.9	23%	0.227	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-45.1	176.2	-67.5	-59.7	-69.8	0	0	112.3	L244 H245 F251 K252 V260 C262 V287	L244-M248 WeakPolarHBondContact O-CG 3.46Å; L244-M248 PolarHBondContact O-N 3.5Å; H245-M248 PolarHBondContact O-N 3.25Å; M248-F251 PolarHBondContact O-N 2.89Å; M248-K252 WeakPolarHBondContact O-CB 3.41Å; M248-K252 PolarHBondContact O-N 3.01Å; M248-V260 HydrophobicContact CE-CB 4.29Å; M248-V260 HydrophobicContact CE-CG1 4.07Å; M248-V260 HydrophobicContact SD-CB 4.34Å; M248-V260 HydrophobicContact SD-CG1 3.52Å; M248-V260 VanDerWaalsContact SD-CG1 3.52Å; M248-C262 HydrophobicContact CE-CB 3.95Å; M248-C262 HydrophobicContact CG-CB 3.95Å; M248-C262 HydrophobicContact SD-CB 3.74Å; M248-V287 HydrophobicContact SD-CB 4.23Å; M248-V287 HydrophobicContact SD-CG2 4.11Å
249	N	89.3	Confident	89.9	Confident	94 Å²	94	50.3 Å²	50.3	50%	0.503	24%	0.239	S	C	.	.	H	α-helix	trans	-64.9	-41.2	177.7	-72.6	-17.9	0	0	0	111.7	H245 N246 W247 K252 R253	H245-N249 WeakPolarHBondContact O-CB 3.3Å; H245-N249 VanDerWaalsContact O-CG 3.28Å; H245-N249 PolarHBondContact O-N 3.27Å; H245-N249 PolarHBondContact O-ND2 2.89Å; N246-N249 PolarHBondContact O-N 2.83Å; W247-N249 PolarHBondContact O-N 2.99Å; N249-K252 PolarHBondContact O-N 2.74Å; N249-R253 WeakPolarHBondContact O-CB 3.47Å; N249-R253 PolarHBondContact O-N 3.12Å
250	E	91.7	Very high	90.1	Very high	39 Å²	39	51.7 Å²	51.7	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-39	176.2	-69.4	-75.2	131.4	0	0	111.6	T215 I219 N246 W247 R253 W254	T215-E250 HydrophobicContact CG2-CB 4.12Å; T215-E250 HydrophobicContact CG2-CG 4.2Å; I219-E250 HydrophobicContact CD1-CB 3.59Å; N246-E250 WeakPolarHBondContact O-CB 3.15Å; N246-E250 WeakPolarHBondContact O-CG 3.46Å; N246-E250 PolarHBondContact O-N 2.81Å; W247-E250 PolarHBondContact O-N 2.86Å; E250-R253 PolarHBondContact O-N 2.88Å; E250-W254 WeakPolarHBondContact O-CB 3.3Å; E250-W254 PolarHBondContact O-N 2.95Å; E250-W254 PolarHBondContact OE2-NE1 2.63Å
251	F	95.5	Very high	90.5	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-51.2	172.5	-84.9	-69.4	0	0	0	111.7	I219 L222 V237 W247 M248 R253 V255 L258 V260 V285 V287	I219-F251 HydrophobicContact CB-CD1 4.39Å; I219-F251 HydrophobicContact CB-CE1 4.23Å; I219-F251 HydrophobicContact CD1-CD1 4.21Å; I219-F251 HydrophobicContact CD1-CD2 4.4Å; I219-F251 HydrophobicContact CD1-CE1 4.42Å; I219-F251 HydrophobicContact CD1-CG 4.17Å; I219-F251 HydrophobicContact CG1-CD1 3.88Å; I219-F251 HydrophobicContact CG1-CE1 3.67Å; I219-F251 HydrophobicContact CG1-CE2 4.33Å; I219-F251 HydrophobicContact CG1-CG 4.3Å; I219-F251 HydrophobicContact CG1-CZ 3.89Å; I219-F251 HydrophobicContact CG2-CD1 3.75Å; I219-F251 HydrophobicContact CG2-CE1 3.96Å; L222-F251 HydrophobicContact CD1-CE1 4.04Å; L222-F251 HydrophobicContact CD1-CZ 3.95Å; V237-F251 HydrophobicContact CG2-CZ 4.27Å; W247-F251 HydrophobicContact CE3-CD2 4.41Å; W247-F251 AromaticContact CE3-CE2 3.68Å; W247-F251 HydrophobicContact CE3-CE2 3.68Å; W247-F251 HydrophobicContact CE3-CZ 4.21Å; W247-F251 HydrophobicContact CZ3-CE2 4.26Å; W247-F251 HydrophobicContact CZ3-CZ 4.34Å; W247-F251 WeakPolarHBondContact O-CD2 3.49Å; W247-F251 PolarHBondContact O-N 2.98Å; M248-F251 PolarHBondContact O-N 2.89Å; F251-R253 VanDerWaalsContact C-N 3.26Å; F251-R253 PolarHBondContact O-N 3.21Å; F251-V255 CarbonylContact O-C 3.19Å; F251-V255 PolarHBondContact O-N 2.79Å; F251-L258 HydrophobicContact CD1-CD1 4.13Å; F251-L258 HydrophobicContact CE1-CD1 4.04Å; F251-V260 HydrophobicContact CB-CB 4.44Å; F251-V260 HydrophobicContact CB-CG2 3.79Å; F251-V260 HydrophobicContact CD1-CG2 3.7Å; F251-V260 HydrophobicContact CD2-CG1 3.85Å; F251-V260 HydrophobicContact CD2-CG2 4.1Å; F251-V260 HydrophobicContact CE1-CG2 4.26Å; F251-V260 HydrophobicContact CE2-CG1 4.19Å; F251-V260 HydrophobicContact CG-CB 4.41Å; F251-V260 HydrophobicContact CG-CG1 4.24Å; F251-V260 HydrophobicContact CG-CG2 3.63Å; F251-V285 HydrophobicContact CE1-CG1 4.42Å; F251-V285 HydrophobicContact CE1-CG2 4.26Å; F251-V285 HydrophobicContact CE2-CG1 4.29Å; F251-V285 HydrophobicContact CZ-CB 4.49Å; F251-V285 HydrophobicContact CZ-CG1 3.82Å; F251-V285 HydrophobicContact CZ-CG2 4.47Å; F251-V287 HydrophobicContact CD2-CG2 4.18Å; F251-V287 HydrophobicContact CE2-CG2 3.7Å
252	K	93.4	Very high	91	Very high	163 Å²	163	46.9 Å²	46.9	71%	0.709	23%	0.228	S	C	*	.	H	α-helix	trans	-59	-38.4	178.6	-172.7	178.6	-179	-178.9	0	112	M248 N249 P256	M248-K252 WeakPolarHBondContact O-CB 3.41Å; M248-K252 PolarHBondContact O-N 3.01Å; N249-K252 PolarHBondContact O-N 2.74Å; K252-P256 WeakPolarHBondContact O-CB 3.35Å
253	R	91.3	Very high	91.9	Very high	139 Å²	139	46 Å²	46	53%	0.525	22%	0.221	S	C	.	.	H	α-helix	trans	-74.1	-49.8	-179.1	179.2	179.8	178.2	173.7	3.9	112.8	G180 N249 E250 F251	G180-R253 WeakPolarHBondContact CA-O 3.38Å; G180-R253 PolarHBondContact N-O 3.49Å; N249-R253 WeakPolarHBondContact O-CB 3.47Å; N249-R253 PolarHBondContact O-N 3.12Å; E250-R253 PolarHBondContact O-N 2.88Å; F251-R253 VanDerWaalsContact C-N 3.26Å; F251-R253 PolarHBondContact O-N 3.21Å
254	W	93.9	Very high	92.2	Very high	28 Å²	28	48 Å²	48	11%	0.106	23%	0.233	C	C	.	.	H	α-helix	trans	-92.9	-42.7	-166.8	-66.5	109.4	0	0	0	113.1	V178 K179 G180 G181 L216 I219 E250	V178-W254 CarbonylContact C-O 3.56Å; V178-W254 VanDerWaalsContact CA-O 3.3Å; V178-W254 WeakPolarHBondContact CA-O 3.41Å; V178-W254 HydrophobicContact CG1-CE3 3.79Å; V178-W254 HydrophobicContact CG1-CZ3 4.43Å; K179-W254 PolarHBondContact N-O 3.33Å; G180-W254 VanDerWaalsContact CA-CE3 3.45Å; G180-W254 WeakPolarHBondContact O-CH2 3.34Å; G180-W254 VanDerWaalsContact O-CZ3 3.26Å; G180-W254 WeakPolarHBondContact O-CZ3 3.34Å; G181-W254 WeakPolarHBondContact O-CZ3 3.21Å; L216-W254 HydrophobicContact CD1-CB 3.75Å; L216-W254 HydrophobicContact CD1-CD2 3.41Å; L216-W254 VanDerWaalsContact CD1-CD2 3.41Å; L216-W254 HydrophobicContact CD1-CE3 3.74Å; L216-W254 HydrophobicContact CD1-CG 3.41Å; L216-W254 VanDerWaalsContact CD1-CG 3.41Å; L216-W254 HydrophobicContact CD1-CZ3 4.45Å; L216-W254 HydrophobicContact CD2-CD2 4.19Å; L216-W254 HydrophobicContact CD2-CE3 4.22Å; L216-W254 HydrophobicContact CD2-CH2 4.03Å; L216-W254 HydrophobicContact CD2-CZ2 3.97Å; L216-W254 HydrophobicContact CD2-CZ3 4.13Å; L216-W254 HydrophobicContact CG-CD2 4.4Å; I219-W254 HydrophobicContact CG2-CB 4.47Å; E250-W254 WeakPolarHBondContact O-CB 3.3Å; E250-W254 PolarHBondContact O-N 2.95Å; E250-W254 PolarHBondContact OE2-NE1 2.63Å
255	V	95.5	Very high	92.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.			trans	-134.9	69.2	-178	-172	0	0	0	0	109.2	Y177 V178 I219 F251 S257 L258	Y177-V255 HydrophobicContact CD2-CG1 4.15Å; Y177-V255 HydrophobicContact CD2-CG2 4.1Å; Y177-V255 HydrophobicContact CE2-CG2 4.46Å; V178-V255 HydrophobicContact CG2-CG2 4.27Å; I219-V255 HydrophobicContact CG2-CB 3.87Å; I219-V255 HydrophobicContact CG2-CG2 3.62Å; F251-V255 CarbonylContact O-C 3.19Å; F251-V255 PolarHBondContact O-N 2.79Å; V255-S257 WeakPolarHBondContact CG1-OG 3.34Å; V255-S257 PolarHBondContact O-N 2.84Å; V255-L258 HydrophobicContact CB-CD1 4.08Å; V255-L258 HydrophobicContact CG1-CD1 3.69Å; V255-L258 HydrophobicContact CG1-CG 3.8Å; V255-L258 PolarHBondContact O-N 3.48Å
256	P	94.2	Very high	92.4	Very high	76 Å²	76	51 Å²	51	49%	0.494	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.5	-178	25.2	-34.8	0	0	0	113.4	K179 K252 L258	K179-P256 HydrophobicContact CB-CG 4.49Å; K179-P256 HydrophobicContact CG-CG 4.22Å; K252-P256 WeakPolarHBondContact O-CB 3.35Å; P256-L258 PolarHBondContact O-N 3.01Å
257	S	93.7	Very high	92.7	Very high	42 Å²	42	56.8 Å²	56.8	29%	0.294	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.8	174.6	59.2	0	0	0	0	113.2	K226 H227 V255	K226-S257 PolarHBondContact NZ-O 2.83Å; H227-S257 PolarHBondContact NE2-OG 3.11Å; V255-S257 WeakPolarHBondContact CG1-OG 3.34Å; V255-S257 PolarHBondContact O-N 2.84Å
258	L	94.7	Very high	92.6	Very high	10 Å²	10	62.8 Å²	62.8	5%	0.052	31%	0.314	C	S	.	.	S	Bend	trans	-80.3	127	177.5	-73.8	166.9	0	0	0	109.8	L222 K226 F251 V255 P256 V260 D284 V285	L222-L258 HydrophobicContact CB-CD1 4.04Å; K226-L258 HydrophobicContact CB-CD2 4.1Å; K226-L258 HydrophobicContact CD-CD2 3.67Å; K226-L258 HydrophobicContact CD-CG 4.46Å; F251-L258 HydrophobicContact CD1-CD1 4.13Å; F251-L258 HydrophobicContact CE1-CD1 4.04Å; V255-L258 HydrophobicContact CB-CD1 4.08Å; V255-L258 HydrophobicContact CG1-CD1 3.69Å; V255-L258 HydrophobicContact CG1-CG 3.8Å; V255-L258 PolarHBondContact O-N 3.48Å; P256-L258 PolarHBondContact O-N 3.01Å; L258-V260 HydrophobicContact CB-CG2 4.07Å; L258-V260 PolarHBondContact O-N 2.7Å; L258-D284 HydrophobicContact CD2-CB 4.06Å; L258-V285 HydrophobicContact CD2-CG2 4.36Å
259	R	95.2	Very high	92.5	Very high	134 Å²	134	63 Å²	63	51%	0.506	32%	0.323	S	S	.	.			trans	-80.8	108.6	172.5	-67.9	177.6	-63.7	-170.5	4.7	109.2	E282 D284 V285	R259-E282 PolarHBondContact NE-O 2.81Å; R259-D284 HydrophobicContact CB-CB 4.44Å; R259-D284 IonicContact CZ-OD1 2.85Å; R259-D284 PolarHBondContact N-OD2 3.3Å; R259-D284 IonicContact NE-OD1 3.95Å; R259-D284 PolarHBondContact NE-OD1 2.86Å; R259-D284 IonicContact NH2-OD1 3.94Å; R259-D284 PolarHBondContact NH2-OD1 3.18Å; R259-D284 VanDerWaalsContact NH2-OD1 3.14Å; R259-D284 WeakPolarHBondContact O-CA 3.25Å; R259-D284 WeakPolarHBondContact O-CB 3.43Å; R259-D284 PolarHBondContact O-N 2.85Å; R259-V285 PolarHBondContact O-N 2.99Å; R259-V285 VanDerWaalsContact O-N 3.11Å
260	V	95.9	Very high	92.7	Very high	30 Å²	30	59.3 Å²	59.3	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.6	-174.2	-170.7	0	0	0	0	109.9	M248 F251 L258 V285 V287	M248-V260 HydrophobicContact CE-CB 4.29Å; M248-V260 HydrophobicContact CE-CG1 4.07Å; M248-V260 HydrophobicContact SD-CB 4.34Å; M248-V260 HydrophobicContact SD-CG1 3.52Å; M248-V260 VanDerWaalsContact SD-CG1 3.52Å; F251-V260 HydrophobicContact CB-CB 4.44Å; F251-V260 HydrophobicContact CB-CG2 3.79Å; F251-V260 HydrophobicContact CD1-CG2 3.7Å; F251-V260 HydrophobicContact CD2-CG1 3.85Å; F251-V260 HydrophobicContact CD2-CG2 4.1Å; F251-V260 HydrophobicContact CE1-CG2 4.26Å; F251-V260 HydrophobicContact CE2-CG1 4.19Å; F251-V260 HydrophobicContact CG-CB 4.41Å; F251-V260 HydrophobicContact CG-CG1 4.24Å; F251-V260 HydrophobicContact CG-CG2 3.63Å; L258-V260 HydrophobicContact CB-CG2 4.07Å; L258-V260 PolarHBondContact O-N 2.7Å; V260-V285 WeakPolarHBondContact CA-O 3.18Å; V260-V285 HydrophobicContact CG1-CB 4.16Å; V260-V285 HydrophobicContact CG1-CG1 4.42Å; V260-V285 HydrophobicContact CG2-CB 4.1Å; V260-V285 HydrophobicContact CG2-CG2 4.37Å; V260-V287 HydrophobicContact CG1-CG2 3.52Å
261	I	94.3	Very high	92.7	Very high	20 Å²	20	60 Å²	60	10%	0.103	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	144.4	174.7	59.8	161.1	0	0	0	110.2	F273 W283 V285 C286 V287	I261-F273 HydrophobicContact CB-CZ 4.1Å; I261-F273 HydrophobicContact CD1-CE1 4.09Å; I261-F273 HydrophobicContact CD1-CZ 4.34Å; I261-W283 HydrophobicContact CD1-CB 4.37Å; I261-W283 HydrophobicContact CD1-CD2 3.48Å; I261-W283 VanDerWaalsContact CD1-CD2 3.48Å; I261-W283 VanDerWaalsContact CD1-CE2 3.5Å; I261-W283 HydrophobicContact CD1-CE3 4.13Å; I261-W283 HydrophobicContact CD1-CG 3.56Å; I261-W283 HydrophobicContact CD1-CZ2 4.16Å; I261-W283 HydrophobicContact CG1-CB 4.15Å; I261-W283 HydrophobicContact CG1-CD2 3.86Å; I261-W283 HydrophobicContact CG1-CE3 4.19Å; I261-W283 HydrophobicContact CG1-CG 3.83Å; I261-W283 HydrophobicContact CG2-CB 3.71Å; I261-W283 HydrophobicContact CG2-CG 4.03Å; I261-V285 WeakPolarHBondContact CG1-O 3.2Å; I261-V285 PolarHBondContact N-O 2.73Å; I261-C286 HydrophobicContact CD1-CB 4.2Å; I261-C286 HydrophobicContact CG1-CB 4.08Å; I261-V287 PolarHBondContact O-N 2.88Å
262	C	93.9	Very high	92.5	Very high	29 Å²	29	61.5 Å²	61.5	20%	0.196	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.8	177.5	-176.5	0	0	0	0	110.2	M248 V264 V287	M248-C262 HydrophobicContact CE-CB 3.95Å; M248-C262 HydrophobicContact CG-CB 3.95Å; M248-C262 HydrophobicContact SD-CB 3.74Å; C262-V264 PolarHBondContact O-N 2.78Å; C262-V287 CarbonylContact C-O 3.55Å; C262-V287 WeakPolarHBondContact CA-O 3.29Å
263	F	93.7	Very high	92.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	98	179.5	-173.7	-109.9	0	0	0	111.5	R270 F273 I274 V287 T288 M292 E296 F300	F263-R270 HydrophobicContact CE1-CG 4.44Å; F263-R270 HydrophobicContact CE2-CB 4.09Å; F263-R270 HydrophobicContact CE2-CG 4.01Å; F263-R270 HydrophobicContact CZ-CB 3.88Å; F263-R270 HydrophobicContact CZ-CG 3.75Å; F263-F273 HydrophobicContact CB-CE1 4.42Å; F263-F273 AromaticContact CD2-CD1 3.43Å; F263-F273 HydrophobicContact CD2-CD1 3.43Å; F263-F273 VanDerWaalsContact CD2-CD1 3.43Å; F263-F273 AromaticContact CD2-CE1 3.77Å; F263-F273 HydrophobicContact CD2-CE1 3.77Å; F263-F273 HydrophobicContact CD2-CG 4.19Å; F263-F273 HydrophobicContact CE2-CB 4.46Å; F263-F273 AromaticContact CE2-CD1 3.89Å; F263-F273 HydrophobicContact CE2-CD1 3.89Å; F263-F273 HydrophobicContact CE2-CG 4.46Å; F263-I274 HydrophobicContact CE2-CD1 4.18Å; F263-I274 HydrophobicContact CE2-CG1 3.71Å; F263-I274 HydrophobicContact CZ-CD1 3.86Å; F263-I274 HydrophobicContact CZ-CG1 3.88Å; F263-V287 PolarHBondContact N-O 3.15Å; F263-T288 PolarHBondContact O-OG1 3.32Å; F263-M292 HydrophobicContact CD1-CB 3.98Å; F263-M292 HydrophobicContact CD1-CG 4.37Å; F263-M292 HydrophobicContact CE1-CB 4.1Å; F263-M292 HydrophobicContact CE1-CG 4.47Å; F263-E296 HydrophobicContact CE1-CB 4.12Å; F263-E296 HydrophobicContact CE1-CG 3.82Å; F263-E296 HydrophobicContact CZ-CB 4.42Å; F263-E296 HydrophobicContact CZ-CG 3.89Å; F263-F300 AromaticContact CD1-CE2 3.95Å; F263-F300 HydrophobicContact CD1-CE2 3.95Å; F263-F300 AromaticContact CD1-CZ 3.58Å; F263-F300 HydrophobicContact CD1-CZ 3.58Å; F263-F300 AromaticContact CE1-CE2 3.95Å; F263-F300 HydrophobicContact CE1-CE2 3.95Å; F263-F300 HydrophobicContact CE1-CZ 4.04Å; F263-F300 HydrophobicContact CG-CZ 4.27Å
264	V	89.6	Confident	92.5	Very high	50 Å²	50	50 Å²	50	30%	0.303	28%	0.282	S	S	.	.			trans	-150	149.9	174.8	67.9	0	0	0	0	109.3	L244 C262	L244-V264 HydrophobicContact CD1-CB 4.13Å; L244-V264 HydrophobicContact CD1-CG2 4.09Å; C262-V264 PolarHBondContact O-N 2.78Å
265	G	87.4	Confident	92.4	Very high	29 Å²	29	56 Å²	56	30%	0.299	31%	0.305	S	S	.	.			trans	158.7	177.6	175.5	0	0	0	0	0	113.4	R270	G265-R270 VanDerWaalsContact O-CD 3.31Å; G265-R270 WeakPolarHBondContact O-CD 3.38Å; G265-R270 PolarHBondContact O-NE 3.5Å
266	D	89.1	Confident	92.2	Very high	103 Å²	103	60.3 Å²	60.3	55%	0.551	33%	0.328	S	S	*	.			trans	-73.3	-172.9	167.8	65.5	28.8	0	0	0	111.3	D268 A269 R270	D266-D268 PolarHBondContact OD1-N 2.82Å; D266-D268 VanDerWaalsContact OD1-N 3.09Å; D266-A269 WeakPolarHBondContact OD1-CB 3.24Å; D266-A269 PolarHBondContact OD1-N 2.7Å; D266-R270 WeakPolarHBondContact O-CB 3.2Å; D266-R270 WeakPolarHBondContact O-CD 3.46Å; D266-R270 WeakPolarHBondContact O-CG 3.32Å; D266-R270 PolarHBondContact O-N 3.05Å; D266-R270 VanDerWaalsContact O-N 3.16Å; D266-R270 PolarHBondContact O-NE 2.98Å
267	K	89.8	Confident	91.9	Very high	158 Å²	158	61.4 Å²	61.4	69%	0.687	33%	0.327	S	S	*	.	H	α-helix	trans	-65	-42	-175.5	-169.4	-178.8	176.4	-172.7	0	112.5	A271	K267-A271 PolarHBondContact O-N 2.9Å; K267-A271 VanDerWaalsContact O-N 3.12Å
268	D	90.7	Very high	91.7	Very high	125 Å²	125	59.4 Å²	59.4	67%	0.668	31%	0.313	S	S	*	.	H	α-helix	trans	-81.4	-42.6	-171.3	-61.9	-30.2	0	0	0	111	D266 R270 A271 A272	D266-D268 PolarHBondContact OD1-N 2.82Å; D266-D268 VanDerWaalsContact OD1-N 3.09Å; D268-R270 VanDerWaalsContact C-N 3.28Å; D268-R270 PolarHBondContact O-N 3.2Å; D268-A271 PolarHBondContact O-N 2.98Å; D268-A272 PolarHBondContact O-N 3.14Å
269	A	90.8	Very high	91.5	Very high	50 Å²	50	63.2 Å²	63.2	41%	0.413	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-41.6	172	0	0	0	0	0	111.2	D266 A272 F273	D266-A269 WeakPolarHBondContact OD1-CB 3.24Å; D266-A269 PolarHBondContact OD1-N 2.7Å; A269-A272 PolarHBondContact O-N 2.9Å; A269-F273 VanDerWaalsContact O-CB 3.23Å; A269-F273 WeakPolarHBondContact O-CB 3.21Å; A269-F273 PolarHBondContact O-N 2.88Å
270	R	92.8	Very high	91.2	Very high	18 Å²	18	60.4 Å²	60.4	7%	0.068	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-42.3	176	-73.4	179	-49.7	139.5	21	112.3	F263 G265 D266 D268 A272 F273 I274 M292 K295 E296	F263-R270 HydrophobicContact CE1-CG 4.44Å; F263-R270 HydrophobicContact CE2-CB 4.09Å; F263-R270 HydrophobicContact CE2-CG 4.01Å; F263-R270 HydrophobicContact CZ-CB 3.88Å; F263-R270 HydrophobicContact CZ-CG 3.75Å; G265-R270 VanDerWaalsContact O-CD 3.31Å; G265-R270 WeakPolarHBondContact O-CD 3.38Å; G265-R270 PolarHBondContact O-NE 3.5Å; D266-R270 WeakPolarHBondContact O-CB 3.2Å; D266-R270 WeakPolarHBondContact O-CD 3.46Å; D266-R270 WeakPolarHBondContact O-CG 3.32Å; D266-R270 PolarHBondContact O-N 3.05Å; D266-R270 VanDerWaalsContact O-N 3.16Å; D266-R270 PolarHBondContact O-NE 2.98Å; D268-R270 VanDerWaalsContact C-N 3.28Å; D268-R270 PolarHBondContact O-N 3.2Å; R270-A272 VanDerWaalsContact C-N 3.34Å; R270-A272 PolarHBondContact O-N 3.22Å; R270-F273 PolarHBondContact O-N 3.3Å; R270-I274 WeakPolarHBondContact O-CB 3.26Å; R270-I274 WeakPolarHBondContact O-CD1 3.49Å; R270-I274 WeakPolarHBondContact O-CG1 3.35Å; R270-I274 PolarHBondContact O-N 2.92Å; R270-M292 WeakPolarHBondContact CD-SD 3.3Å; R270-K295 VanDerWaalsContact NH1-CB 3.26Å; R270-E296 IonicContact CZ-OE1 2.96Å; R270-E296 IonicContact NE-OE1 2.93Å; R270-E296 VanDerWaalsContact NH1-CG 3.34Å; R270-E296 IonicContact NH1-OE1 3.45Å; R270-E296 PolarHBondContact NH1-OE1 3.16Å; R270-E296 IonicContact NH2-OE1 2.75Å; R270-E296 PolarHBondContact NH2-OE1 3Å
271	A	91.8	Very high	90.6	Very high	54 Å²	54	60.7 Å²	60.7	45%	0.446	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-42	179.3	0	0	0	0	0	111.8	K267 D268 R275	K267-A271 PolarHBondContact O-N 2.9Å; K267-A271 VanDerWaalsContact O-N 3.12Å; D268-A271 PolarHBondContact O-N 2.98Å; A271-R275 PolarHBondContact O-N 3.42Å
272	A	91.7	Very high	90.4	Very high	33 Å²	33	67 Å²	67	27%	0.273	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-50.5	173.3	0	0	0	0	0	111.3	D268 A269 R270 I274 R275 D276	D268-A272 PolarHBondContact O-N 3.14Å; A269-A272 PolarHBondContact O-N 2.9Å; R270-A272 VanDerWaalsContact C-N 3.34Å; R270-A272 PolarHBondContact O-N 3.22Å; A272-I274 VanDerWaalsContact C-N 3.34Å; A272-I274 PolarHBondContact O-N 3.39Å; A272-R275 PolarHBondContact O-N 2.92Å; A272-R275 VanDerWaalsContact O-N 3.12Å; A272-D276 WeakPolarHBondContact O-CB 3.25Å; A272-D276 VanDerWaalsContact O-CG 3.31Å; A272-D276 PolarHBondContact O-N 3.26Å
273	F	91.7	Very high	90.4	Very high	38 Å²	38	66.3 Å²	66.3	17%	0.167	36%	0.362	C	S	.	.	H	α-helix	trans	-58.7	-42.1	179.8	-168.7	-79.1	0	0	0	113.1	I261 F263 A269 R270 R275 E277 M278	I261-F273 HydrophobicContact CB-CZ 4.1Å; I261-F273 HydrophobicContact CD1-CE1 4.09Å; I261-F273 HydrophobicContact CD1-CZ 4.34Å; F263-F273 HydrophobicContact CB-CE1 4.42Å; F263-F273 AromaticContact CD2-CD1 3.43Å; F263-F273 HydrophobicContact CD2-CD1 3.43Å; F263-F273 VanDerWaalsContact CD2-CD1 3.43Å; F263-F273 AromaticContact CD2-CE1 3.77Å; F263-F273 HydrophobicContact CD2-CE1 3.77Å; F263-F273 HydrophobicContact CD2-CG 4.19Å; F263-F273 HydrophobicContact CE2-CB 4.46Å; F263-F273 AromaticContact CE2-CD1 3.89Å; F263-F273 HydrophobicContact CE2-CD1 3.89Å; F263-F273 HydrophobicContact CE2-CG 4.46Å; A269-F273 VanDerWaalsContact O-CB 3.23Å; A269-F273 WeakPolarHBondContact O-CB 3.21Å; A269-F273 PolarHBondContact O-N 2.88Å; R270-F273 PolarHBondContact O-N 3.3Å; F273-R275 VanDerWaalsContact C-N 3.31Å; F273-R275 PolarHBondContact O-N 2.93Å; F273-E277 HydrophobicContact CD1-CB 4.36Å; F273-E277 HydrophobicContact CE1-CB 4.17Å; F273-E277 HydrophobicContact CE2-CB 4.32Å; F273-E277 HydrophobicContact CE2-CG 4.42Å; F273-E277 WeakPolarHBondContact CE2-OE2 3.41Å; F273-E277 HydrophobicContact CZ-CB 4.15Å; F273-E277 VanDerWaalsContact CZ-OE2 3.25Å; F273-E277 WeakPolarHBondContact CZ-OE2 3.48Å; F273-E277 PolarHBondContact O-N 3.17Å; F273-M278 HydrophobicContact CD1-CB 4.37Å; F273-M278 HydrophobicContact CE1-CB 4.43Å; F273-M278 PolarHBondContact O-N 3.29Å
274	I	92.7	Very high	90.5	Very high	24 Å²	24	66.4 Å²	66.4	12%	0.123	36%	0.362	C	S	.	.	I	π-helix	trans	-59.6	-46.3	177.7	-72.5	158.6	0	0	0	110.1	F263 R270 A272 M278 M279 E296 V299	F263-I274 HydrophobicContact CE2-CD1 4.18Å; F263-I274 HydrophobicContact CE2-CG1 3.71Å; F263-I274 HydrophobicContact CZ-CD1 3.86Å; F263-I274 HydrophobicContact CZ-CG1 3.88Å; R270-I274 WeakPolarHBondContact O-CB 3.26Å; R270-I274 WeakPolarHBondContact O-CD1 3.49Å; R270-I274 WeakPolarHBondContact O-CG1 3.35Å; R270-I274 PolarHBondContact O-N 2.92Å; A272-I274 VanDerWaalsContact C-N 3.34Å; A272-I274 PolarHBondContact O-N 3.39Å; I274-M278 HydrophobicContact CG1-SD 4.25Å; I274-M279 HydrophobicContact CG2-CG 4.01Å; I274-M279 VanDerWaalsContact O-CB 3.31Å; I274-M279 WeakPolarHBondContact O-CB 3.34Å; I274-M279 WeakPolarHBondContact O-CG 3.47Å; I274-M279 PolarHBondContact O-N 2.85Å; I274-E296 HydrophobicContact CD1-CG 4.44Å; I274-V299 HydrophobicContact CD1-CG2 3.91Å; I274-V299 HydrophobicContact CG1-CG1 4.31Å; I274-V299 HydrophobicContact CG1-CG2 4.46Å; I274-V299 HydrophobicContact CG2-CG1 3.94Å; I274-V299 HydrophobicContact CG2-CG2 4.22Å
275	R	90.8	Very high	90.9	Very high	152 Å²	152	64 Å²	64	57%	0.574	35%	0.348	S	S	*	.	I	π-helix	trans	-70	-44.3	-177.4	-177.6	-172.1	62	-118.3	-7.9	111.9	A271 A272 F273 P280	A271-R275 PolarHBondContact O-N 3.42Å; A272-R275 PolarHBondContact O-N 2.92Å; A272-R275 VanDerWaalsContact O-N 3.12Å; F273-R275 VanDerWaalsContact C-N 3.31Å; F273-R275 PolarHBondContact O-N 2.93Å; R275-P280 WeakPolarHBondContact O-CD 3.41Å
276	D	91.1	Very high	91.3	Very high	92 Å²	92	62.7 Å²	62.7	49%	0.492	33%	0.334	S	S	.	.	I	π-helix	trans	-95.6	-26.6	-164.7	-58	-22.8	0	0	0	113.3	A272 P280	A272-D276 WeakPolarHBondContact O-CB 3.25Å; A272-D276 VanDerWaalsContact O-CG 3.31Å; A272-D276 PolarHBondContact O-N 3.26Å; D276-P280 WeakPolarHBondContact O-CG 3.38Å
277	E	89.4	Confident	91.7	Very high	99 Å²	99	57.8 Å²	57.8	46%	0.463	31%	0.307	S	S	.	.	I	π-helix	trans	-121.6	-45.7	-179	-66.4	-166.9	-166.2	0	0	113.3	F273 W283	F273-E277 HydrophobicContact CD1-CB 4.36Å; F273-E277 HydrophobicContact CE1-CB 4.17Å; F273-E277 HydrophobicContact CE2-CB 4.32Å; F273-E277 HydrophobicContact CE2-CG 4.42Å; F273-E277 WeakPolarHBondContact CE2-OE2 3.41Å; F273-E277 HydrophobicContact CZ-CB 4.15Å; F273-E277 VanDerWaalsContact CZ-OE2 3.25Å; F273-E277 WeakPolarHBondContact CZ-OE2 3.48Å; F273-E277 PolarHBondContact O-N 3.17Å; E277-W283 PolarHBondContact O-NE1 3.48Å
278	M	89.6	Confident	91.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	I	π-helix	trans	-72.8	-48.2	-171.6	-162.3	-177.8	-179.7	0	0	112.7	F273 I274 G281 W283 V299 F300 F303	F273-M278 HydrophobicContact CD1-CB 4.37Å; F273-M278 HydrophobicContact CE1-CB 4.43Å; F273-M278 PolarHBondContact O-N 3.29Å; I274-M278 HydrophobicContact CG1-SD 4.25Å; M278-G281 PolarHBondContact O-N 3.5Å; M278-W283 HydrophobicContact CG-CZ2 4.12Å; M278-W283 PolarHBondContact O-NE1 3.46Å; M278-V299 HydrophobicContact CE-CG1 3.96Å; M278-V299 HydrophobicContact SD-CG1 3.58Å; M278-V299 VanDerWaalsContact SD-CG1 3.58Å; M278-F300 HydrophobicContact CE-CD1 3.7Å; M278-F300 HydrophobicContact CE-CE1 3.43Å; M278-F300 VanDerWaalsContact CE-CE1 3.43Å; M278-F300 HydrophobicContact CE-CG 4.32Å; M278-F300 HydrophobicContact CE-CZ 3.87Å; M278-F303 HydrophobicContact CE-CD2 4.27Å; M278-F303 HydrophobicContact CE-CE2 3.71Å; M278-F303 HydrophobicContact CE-CZ 4.32Å; M278-F303 HydrophobicContact CG-CE2 4.33Å; M278-F303 HydrophobicContact CG-CZ 4.07Å; M278-F303 HydrophobicContact SD-CE2 4.43Å
279	M	90.1	Very high	92	Very high	89 Å²	89	44.3 Å²	44.3	44%	0.438	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-34.7	-177.2	-73.3	-62.6	-55.8	0	0	114.7	I274 G281 F303	I274-M279 HydrophobicContact CG2-CG 4.01Å; I274-M279 VanDerWaalsContact O-CB 3.31Å; I274-M279 WeakPolarHBondContact O-CB 3.34Å; I274-M279 WeakPolarHBondContact O-CG 3.47Å; I274-M279 PolarHBondContact O-N 2.85Å; M279-G281 PolarHBondContact O-N 3.19Å; M279-F303 HydrophobicContact SD-CZ 4.33Å
280	P	88.4	Confident	92	Very high	76 Å²	76	42.4 Å²	42.4	49%	0.494	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.6	170.3	-30.6	38.8	0	0	0	113.3	R275 D276 E282	R275-P280 WeakPolarHBondContact O-CD 3.41Å; D276-P280 WeakPolarHBondContact O-CG 3.38Å; P280-E282 VanDerWaalsContact C-N 3.3Å; P280-E282 PolarHBondContact O-N 2.98Å
281	G	84.2	Confident	91.9	Very high	36 Å²	36	45.8 Å²	45.8	37%	0.371	24%	0.242	S	C	.	.			trans	72.9	18.7	171.6	0	0	0	0	0	114.5	M278 M279 W283	M278-G281 PolarHBondContact O-N 3.5Å; M279-G281 PolarHBondContact O-N 3.19Å; G281-W283 PolarHBondContact O-N 2.66Å
282	E	89	Confident	91.8	Very high	152 Å²	152	43.8 Å²	43.8	71%	0.71	22%	0.223	S	C	*	.			trans	-78.8	32.6	178.6	-59.3	-166.6	162.7	0	0	113.3	R259 P280	R259-E282 PolarHBondContact NE-O 2.81Å; P280-E282 VanDerWaalsContact C-N 3.3Å; P280-E282 PolarHBondContact O-N 2.98Å
283	W	94.7	Very high	91.9	Very high	15 Å²	15	42.2 Å²	42.2	6%	0.057	21%	0.21	C	C	.	.			trans	-133.5	155.2	-177	51.2	-94.6	0	0	0	110.5	P234 I261 E277 M278 G281 C286 F303 W305	P234-W283 HydrophobicContact CB-CH2 3.8Å; P234-W283 HydrophobicContact CB-CZ3 3.68Å; I261-W283 HydrophobicContact CD1-CB 4.37Å; I261-W283 HydrophobicContact CD1-CD2 3.48Å; I261-W283 VanDerWaalsContact CD1-CD2 3.48Å; I261-W283 VanDerWaalsContact CD1-CE2 3.5Å; I261-W283 HydrophobicContact CD1-CE3 4.13Å; I261-W283 HydrophobicContact CD1-CG 3.56Å; I261-W283 HydrophobicContact CD1-CZ2 4.16Å; I261-W283 HydrophobicContact CG1-CB 4.15Å; I261-W283 HydrophobicContact CG1-CD2 3.86Å; I261-W283 HydrophobicContact CG1-CE3 4.19Å; I261-W283 HydrophobicContact CG1-CG 3.83Å; I261-W283 HydrophobicContact CG2-CB 3.71Å; I261-W283 HydrophobicContact CG2-CG 4.03Å; E277-W283 PolarHBondContact O-NE1 3.48Å; M278-W283 HydrophobicContact CG-CZ2 4.12Å; M278-W283 PolarHBondContact O-NE1 3.46Å; G281-W283 PolarHBondContact O-N 2.66Å; W283-C286 HydrophobicContact CE3-CB 4.1Å; W283-C286 HydrophobicContact CH2-CB 3.86Å; W283-C286 HydrophobicContact CZ3-CB 3.58Å; W283-F303 HydrophobicContact CH2-CD1 4.39Å; W283-F303 HydrophobicContact CH2-CE1 4.29Å; W283-F303 HydrophobicContact CZ2-CD1 4.39Å; W283-F303 AromaticContact CZ2-CE1 3.83Å; W283-F303 HydrophobicContact CZ2-CE1 3.83Å; W283-F303 HydrophobicContact CZ2-CZ 4.15Å; W283-W305 AromaticContact CH2-CH2 3.65Å; W283-W305 HydrophobicContact CH2-CH2 3.65Å; W283-W305 AromaticContact CH2-CZ3 3.6Å; W283-W305 HydrophobicContact CH2-CZ3 3.6Å; W283-W305 HydrophobicContact CZ3-CH2 4.28Å; W283-W305 AromaticContact CZ3-CZ3 3.81Å; W283-W305 HydrophobicContact CZ3-CZ3 3.81Å
284	D	96.1	Very high	91.9	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.011	22%	0.219	C	C	.	.	S	Bend	trans	-97.2	-42.4	-174.8	-60.4	-13.8	0	0	0	110.1	K226 P232 G233 H235 L258 R259	K226-D284 IonicContact NZ-OD2 3.14Å; K226-D284 PolarHBondContact NZ-OD2 3.39Å; P232-D284 WeakPolarHBondContact O-CA 3.35Å; P232-D284 VanDerWaalsContact O-CB 3.23Å; P232-D284 WeakPolarHBondContact O-CB 3.49Å; G233-D284 WeakPolarHBondContact CA-O 3.09Å; H235-D284 PolarHBondContact N-O 3.38Å; L258-D284 HydrophobicContact CD2-CB 4.06Å; R259-D284 HydrophobicContact CB-CB 4.44Å; R259-D284 IonicContact CZ-OD1 2.85Å; R259-D284 PolarHBondContact N-OD2 3.3Å; R259-D284 IonicContact NE-OD1 3.95Å; R259-D284 PolarHBondContact NE-OD1 2.86Å; R259-D284 IonicContact NH2-OD1 3.94Å; R259-D284 PolarHBondContact NH2-OD1 3.18Å; R259-D284 VanDerWaalsContact NH2-OD1 3.14Å; R259-D284 WeakPolarHBondContact O-CA 3.25Å; R259-D284 WeakPolarHBondContact O-CB 3.43Å; R259-D284 PolarHBondContact O-N 2.85Å
285	V	97.1	Very high	91.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.4	-175.2	-171.1	0	0	0	0	111.6	L222 H235 V237 F251 L258 R259 V260 I261 V287	L222-V285 HydrophobicContact CD1-CG1 4.25Å; L222-V285 HydrophobicContact CD1-CG2 4.08Å; H235-V285 HydrophobicContact CB-CG1 4.33Å; H235-V285 HydrophobicContact CB-CG2 4.22Å; H235-V285 WeakPolarHBondContact O-CA 3.17Å; V237-V285 HydrophobicContact CG2-CG1 3.65Å; F251-V285 HydrophobicContact CE1-CG1 4.42Å; F251-V285 HydrophobicContact CE1-CG2 4.26Å; F251-V285 HydrophobicContact CE2-CG1 4.29Å; F251-V285 HydrophobicContact CZ-CB 4.49Å; F251-V285 HydrophobicContact CZ-CG1 3.82Å; F251-V285 HydrophobicContact CZ-CG2 4.47Å; L258-V285 HydrophobicContact CD2-CG2 4.36Å; R259-V285 PolarHBondContact O-N 2.99Å; R259-V285 VanDerWaalsContact O-N 3.11Å; V260-V285 WeakPolarHBondContact CA-O 3.18Å; V260-V285 HydrophobicContact CG1-CB 4.16Å; V260-V285 HydrophobicContact CG1-CG1 4.42Å; V260-V285 HydrophobicContact CG2-CB 4.1Å; V260-V285 HydrophobicContact CG2-CG2 4.37Å; I261-V285 WeakPolarHBondContact CG1-O 3.2Å; I261-V285 PolarHBondContact N-O 2.73Å; V285-V287 HydrophobicContact CG1-CG2 4.28Å
286	C	96.4	Very high	91.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.5	169.8	-176.7	0	0	0	0	110.6	H235 M236 V237 I261 W283 W305	H235-C286 PolarHBondContact O-N 3.28Å; M236-C286 WeakPolarHBondContact CA-O 3.44Å; V237-C286 PolarHBondContact N-O 2.85Å; I261-C286 HydrophobicContact CD1-CB 4.2Å; I261-C286 HydrophobicContact CG1-CB 4.08Å; W283-C286 HydrophobicContact CE3-CB 4.1Å; W283-C286 HydrophobicContact CH2-CB 3.86Å; W283-C286 HydrophobicContact CZ3-CB 3.58Å; C286-W305 HydrophobicContact CB-CH2 4.08Å; C286-W305 HydrophobicContact CB-CZ3 4.14Å
287	V	96.5	Very high	92	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.9	174.5	-173.1	0	0	0	0	108.4	V237 V239 L244 W247 M248 F251 V260 I261 C262 F263 V285	V237-V287 HydrophobicContact CB-CG2 4.25Å; V237-V287 WeakPolarHBondContact O-CA 3.41Å; V239-V287 HydrophobicContact CG1-CG1 4.47Å; V239-V287 HydrophobicContact CG2-CG1 4.08Å; L244-V287 HydrophobicContact CD2-CG1 3.88Å; W247-V287 HydrophobicContact CB-CG1 4.14Å; M248-V287 HydrophobicContact SD-CB 4.23Å; M248-V287 HydrophobicContact SD-CG2 4.11Å; F251-V287 HydrophobicContact CD2-CG2 4.18Å; F251-V287 HydrophobicContact CE2-CG2 3.7Å; V260-V287 HydrophobicContact CG1-CG2 3.52Å; I261-V287 PolarHBondContact O-N 2.88Å; C262-V287 CarbonylContact C-O 3.55Å; C262-V287 WeakPolarHBondContact CA-O 3.29Å; F263-V287 PolarHBondContact N-O 3.15Å; V285-V287 HydrophobicContact CG1-CG2 4.28Å
288	T	95.4	Very high	92.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	164	-175.7	-173.7	0	0	0	0	112	V237 L238 V239 F263 M292 V293 F300	V237-T288 PolarHBondContact O-N 2.92Å; L238-T288 WeakPolarHBondContact CA-O 3.41Å; L238-T288 HydrophobicContact CD2-CG2 3.34Å; V239-T288 PolarHBondContact N-O 3.38Å; F263-T288 PolarHBondContact O-OG1 3.32Å; T288-M292 WeakPolarHBondContact OG1-CB 3.43Å; T288-V293 HydrophobicContact CG2-CG2 3.7Å; T288-F300 HydrophobicContact CG2-CE1 3.99Å; T288-F300 HydrophobicContact CG2-CZ 3.92Å
289	S	92.6	Very high	92.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	157.1	177.4	94.5	0	0	0	0	113	V239 E291 M292 V293	V239-S289 WeakPolarHBondContact O-CA 3.37Å; S289-E291 VanDerWaalsContact CB-OE2 3.28Å; S289-E291 WeakPolarHBondContact CB-OE2 3.49Å; S289-E291 PolarHBondContact O-N 3.4Å; S289-E291 PolarHBondContact OG-N 3.01Å; S289-E291 PolarHBondContact OG-OE2 2.95Å; S289-M292 PolarHBondContact O-N 2.97Å; S289-M292 VanDerWaalsContact O-N 3.12Å; S289-M292 PolarHBondContact OG-N 3.41Å; S289-V293 PolarHBondContact O-N 3.36Å; S289-V293 VanDerWaalsContact O-N 3.11Å
290	Y	90.8	Very high	92.3	Very high	10 Å²	10	38.3 Å²	38.3	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-54	-40.8	175.2	-64.6	-56.9	0	0	0	113.3	L238 P240 M292 V293 I294 I310 D311 R315 L323	L238-Y290 HydrophobicContact CB-CD1 4.29Å; L238-Y290 HydrophobicContact CB-CE1 3.93Å; P240-Y290 HydrophobicContact CG-CE2 4.25Å; Y290-M292 VanDerWaalsContact C-N 3.35Å; Y290-M292 PolarHBondContact O-N 3.07Å; Y290-V293 PolarHBondContact O-N 2.97Å; Y290-I294 VanDerWaalsContact O-CG1 3.31Å; Y290-I294 WeakPolarHBondContact O-CG1 3.42Å; Y290-I294 PolarHBondContact O-N 3.38Å; Y290-I294 VanDerWaalsContact O-N 3.16Å; Y290-I310 HydrophobicContact CE1-CG2 3.89Å; Y290-I310 WeakPolarHBondContact OH-CG2 3.43Å; Y290-D311 PolarHBondContact OH-O 2.95Å; Y290-R315 HydrophobicContact CD2-CG 4.38Å; Y290-R315 HydrophobicContact CE2-CB 4.31Å; Y290-R315 HydrophobicContact CE2-CG 3.92Å; Y290-L323 HydrophobicContact CD1-CD1 3.67Å; Y290-L323 HydrophobicContact CD1-CD2 3.28Å; Y290-L323 HydrophobicContact CD1-CG 4.08Å; Y290-L323 HydrophobicContact CE1-CD2 3.64Å; Y290-L323 HydrophobicContact CG-CD1 4.37Å; Y290-L323 HydrophobicContact CG-CD2 3.81Å
291	E	89.2	Confident	92.5	Very high	89 Å²	89	38.7 Å²	38.7	42%	0.416	20%	0.195	S	C	.	.	H	α-helix	trans	-67.5	-36.7	-179.8	-56.3	76.2	-165.7	0	0	111.5	S289 I294 K295	S289-E291 VanDerWaalsContact CB-OE2 3.28Å; S289-E291 WeakPolarHBondContact CB-OE2 3.49Å; S289-E291 PolarHBondContact O-N 3.4Å; S289-E291 PolarHBondContact OG-N 3.01Å; S289-E291 PolarHBondContact OG-OE2 2.95Å; E291-I294 PolarHBondContact O-N 3.43Å; E291-K295 WeakPolarHBondContact O-CG 3.4Å; E291-K295 PolarHBondContact O-N 2.91Å; E291-K295 VanDerWaalsContact O-N 3.12Å
292	M	91.5	Very high	92.8	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.059	21%	0.205	C	C	.	.	H	α-helix	trans	-70.8	-37.7	177.5	-73.9	-39.1	112.3	0	0	112.5	F263 R270 T288 S289 Y290 I294 K295 E296	F263-M292 HydrophobicContact CD1-CB 3.98Å; F263-M292 HydrophobicContact CD1-CG 4.37Å; F263-M292 HydrophobicContact CE1-CB 4.1Å; F263-M292 HydrophobicContact CE1-CG 4.47Å; R270-M292 WeakPolarHBondContact CD-SD 3.3Å; T288-M292 WeakPolarHBondContact OG1-CB 3.43Å; S289-M292 PolarHBondContact O-N 2.97Å; S289-M292 VanDerWaalsContact O-N 3.12Å; S289-M292 PolarHBondContact OG-N 3.41Å; Y290-M292 VanDerWaalsContact C-N 3.35Å; Y290-M292 PolarHBondContact O-N 3.07Å; M292-I294 VanDerWaalsContact C-N 3.3Å; M292-I294 PolarHBondContact O-N 3.49Å; M292-K295 HydrophobicContact CE-CD 4.12Å; M292-K295 PolarHBondContact O-N 2.86Å; M292-K295 HydrophobicContact SD-CD 4.27Å; M292-E296 PolarHBondContact O-N 2.67Å
293	V	92.4	Very high	92.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-43.9	173.2	170.5	0	0	0	0	111.4	L238 T288 S289 Y290 K297 F300 L323 I326 V327 F330	L238-V293 HydrophobicContact CD1-CG2 4.3Å; L238-V293 HydrophobicContact CD2-CG2 3.38Å; L238-V293 HydrophobicContact CG-CG2 4.46Å; T288-V293 HydrophobicContact CG2-CG2 3.7Å; S289-V293 PolarHBondContact O-N 3.36Å; S289-V293 VanDerWaalsContact O-N 3.11Å; Y290-V293 PolarHBondContact O-N 2.97Å; V293-K297 WeakPolarHBondContact O-CA 3.37Å; V293-K297 PolarHBondContact O-N 2.7Å; V293-K297 VanDerWaalsContact O-N 3.08Å; V293-F300 HydrophobicContact CG2-CE2 4.49Å; V293-L323 HydrophobicContact CG1-CD1 4.49Å; V293-I326 HydrophobicContact CG1-CG2 3.87Å; V293-V327 HydrophobicContact CG1-CG2 4.46Å; V293-F330 HydrophobicContact CG1-CE2 3.5Å; V293-F330 VanDerWaalsContact CG1-CE2 3.5Å; V293-F330 HydrophobicContact CG1-CZ 3.64Å
294	I	91.2	Very high	92.8	Very high	67 Å²	67	39.8 Å²	39.8	34%	0.344	19%	0.189	S	C	.	.	H	α-helix	trans	-63.9	-43.6	179.3	-65.9	164.8	0	0	0	110.6	Y290 E291 M292 L323 I326	Y290-I294 VanDerWaalsContact O-CG1 3.31Å; Y290-I294 WeakPolarHBondContact O-CG1 3.42Å; Y290-I294 PolarHBondContact O-N 3.38Å; Y290-I294 VanDerWaalsContact O-N 3.16Å; E291-I294 PolarHBondContact O-N 3.43Å; M292-I294 VanDerWaalsContact C-N 3.3Å; M292-I294 PolarHBondContact O-N 3.49Å; I294-L323 HydrophobicContact CD1-CB 4.34Å; I294-L323 HydrophobicContact CG1-CD1 4.35Å; I294-I326 HydrophobicContact CB-CD1 4.21Å; I294-I326 HydrophobicContact CG1-CD1 4.07Å; I294-I326 HydrophobicContact CG2-CD1 4.11Å
295	K	91.6	Very high	92.7	Very high	133 Å²	133	39.7 Å²	39.7	58%	0.578	19%	0.188	S	C	*	.	H	α-helix	trans	-69.3	-43.2	-179	-70.6	176.5	-178.9	-172.8	0	112.9	R270 E291 M292	R270-K295 VanDerWaalsContact NH1-CB 3.26Å; E291-K295 WeakPolarHBondContact O-CG 3.4Å; E291-K295 PolarHBondContact O-N 2.91Å; E291-K295 VanDerWaalsContact O-N 3.12Å; M292-K295 HydrophobicContact CE-CD 4.12Å; M292-K295 PolarHBondContact O-N 2.86Å; M292-K295 HydrophobicContact SD-CD 4.27Å
296	E	93.1	Very high	92.5	Very high	34 Å²	34	41.2 Å²	41.2	16%	0.159	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	28.7	-172.2	-57.5	-55.1	144.6	0	0	113.5	F263 R270 I274 M292 S298 V299 F300	F263-E296 HydrophobicContact CE1-CB 4.12Å; F263-E296 HydrophobicContact CE1-CG 3.82Å; F263-E296 HydrophobicContact CZ-CB 4.42Å; F263-E296 HydrophobicContact CZ-CG 3.89Å; R270-E296 IonicContact CZ-OE1 2.96Å; R270-E296 IonicContact NE-OE1 2.93Å; R270-E296 VanDerWaalsContact NH1-CG 3.34Å; R270-E296 IonicContact NH1-OE1 3.45Å; R270-E296 PolarHBondContact NH1-OE1 3.16Å; R270-E296 IonicContact NH2-OE1 2.75Å; R270-E296 PolarHBondContact NH2-OE1 3Å; I274-E296 HydrophobicContact CD1-CG 4.44Å; M292-E296 PolarHBondContact O-N 2.67Å; E296-S298 PolarHBondContact O-N 3.28Å; E296-V299 PolarHBondContact O-N 3.09Å; E296-F300 HydrophobicContact CB-CD2 4.25Å; E296-F300 HydrophobicContact CB-CE2 4.06Å; E296-F300 WeakPolarHBondContact O-CD2 3.47Å; E296-F300 PolarHBondContact O-N 3.29Å
297	K	92	Very high	92.4	Very high	96 Å²	96	41.3 Å²	41.3	42%	0.417	19%	0.194	S	C	.	.	H	α-helix	trans	-50.3	-34.5	-176	68.2	179.7	-177.6	176.5	0	114	V293 V299 F300 K301 I326	V293-K297 WeakPolarHBondContact O-CA 3.37Å; V293-K297 PolarHBondContact O-N 2.7Å; V293-K297 VanDerWaalsContact O-N 3.08Å; K297-V299 VanDerWaalsContact C-N 3.28Å; K297-V299 PolarHBondContact O-N 2.94Å; K297-F300 PolarHBondContact O-N 2.98Å; K297-K301 WeakPolarHBondContact O-CB 3.33Å; K297-K301 VanDerWaalsContact O-CG 3.3Å; K297-K301 WeakPolarHBondContact O-CG 3.42Å; K297-K301 PolarHBondContact O-N 2.89Å; K297-I326 HydrophobicContact CB-CG2 3.84Å; K297-I326 HydrophobicContact CD-CD1 4.08Å; K297-I326 HydrophobicContact CD-CG1 4.19Å
298	S	91.5	Very high	92.3	Very high	73 Å²	73	41.3 Å²	41.3	51%	0.51	19%	0.194	S	C	.	.	H	α-helix	trans	-65.7	-29.8	-179.3	55.6	0	0	0	0	113	E296	E296-S298 PolarHBondContact O-N 3.28Å
299	V	91.7	Very high	92.3	Very high	10 Å²	10	41.3 Å²	41.3	6%	0.061	19%	0.194	C	C	.	.	H	α-helix	trans	-77.6	-50.3	176.8	-178.1	0	0	0	0	109.7	I274 M278 E296 K297 K301 K302 F303	I274-V299 HydrophobicContact CD1-CG2 3.91Å; I274-V299 HydrophobicContact CG1-CG1 4.31Å; I274-V299 HydrophobicContact CG1-CG2 4.46Å; I274-V299 HydrophobicContact CG2-CG1 3.94Å; I274-V299 HydrophobicContact CG2-CG2 4.22Å; M278-V299 HydrophobicContact CE-CG1 3.96Å; M278-V299 HydrophobicContact SD-CG1 3.58Å; M278-V299 VanDerWaalsContact SD-CG1 3.58Å; E296-V299 PolarHBondContact O-N 3.09Å; K297-V299 VanDerWaalsContact C-N 3.28Å; K297-V299 PolarHBondContact O-N 2.94Å; V299-K301 VanDerWaalsContact C-N 3.25Å; V299-K301 PolarHBondContact O-N 3.43Å; V299-K302 WeakPolarHBondContact O-CB 3.33Å; V299-K302 PolarHBondContact O-N 3.25Å; V299-F303 HydrophobicContact CG1-CE2 4.25Å; V299-F303 WeakPolarHBondContact O-CD2 3.19Å
300	F	93.4	Very high	92.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-31.2	-179.7	-71.7	-78.6	0	0	0	113.3	M236 F263 M278 T288 V293 E296 K297 K302 F303 W305 F330	M236-F300 HydrophobicContact SD-CD1 3.67Å; M236-F300 HydrophobicContact SD-CE1 4.09Å; F263-F300 AromaticContact CD1-CE2 3.95Å; F263-F300 HydrophobicContact CD1-CE2 3.95Å; F263-F300 AromaticContact CD1-CZ 3.58Å; F263-F300 HydrophobicContact CD1-CZ 3.58Å; F263-F300 AromaticContact CE1-CE2 3.95Å; F263-F300 HydrophobicContact CE1-CE2 3.95Å; F263-F300 HydrophobicContact CE1-CZ 4.04Å; F263-F300 HydrophobicContact CG-CZ 4.27Å; M278-F300 HydrophobicContact CE-CD1 3.7Å; M278-F300 HydrophobicContact CE-CE1 3.43Å; M278-F300 VanDerWaalsContact CE-CE1 3.43Å; M278-F300 HydrophobicContact CE-CG 4.32Å; M278-F300 HydrophobicContact CE-CZ 3.87Å; T288-F300 HydrophobicContact CG2-CE1 3.99Å; T288-F300 HydrophobicContact CG2-CZ 3.92Å; V293-F300 HydrophobicContact CG2-CE2 4.49Å; E296-F300 HydrophobicContact CB-CD2 4.25Å; E296-F300 HydrophobicContact CB-CE2 4.06Å; E296-F300 WeakPolarHBondContact O-CD2 3.47Å; E296-F300 PolarHBondContact O-N 3.29Å; K297-F300 PolarHBondContact O-N 2.98Å; F300-K302 PolarHBondContact O-N 2.92Å; F300-F303 PolarHBondContact O-N 3.39Å; F300-W305 HydrophobicContact CD1-CH2 4.21Å; F300-W305 AromaticContact CD1-CZ2 3.67Å; F300-W305 HydrophobicContact CD1-CZ2 3.67Å; F300-W305 HydrophobicContact CE1-CZ2 4.42Å; F300-W305 PolarHBondContact O-NE1 3.33Å; F300-W305 VanDerWaalsContact O-NE1 3.14Å; F300-F330 HydrophobicContact CB-CD1 4.45Å; F300-F330 HydrophobicContact CB-CE1 3.69Å; F300-F330 HydrophobicContact CB-CE2 4.15Å; F300-F330 HydrophobicContact CB-CZ 3.5Å; F300-F330 HydrophobicContact CG-CZ 4.34Å
301	K	91.9	Very high	92.3	Very high	84 Å²	84	41.4 Å²	41.4	37%	0.365	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.9	174.2	-80.8	-175.5	-176.6	-167.8	0	114.5	K297 V299 F303 E329 F330	K297-K301 WeakPolarHBondContact O-CB 3.33Å; K297-K301 VanDerWaalsContact O-CG 3.3Å; K297-K301 WeakPolarHBondContact O-CG 3.42Å; K297-K301 PolarHBondContact O-N 2.89Å; V299-K301 VanDerWaalsContact C-N 3.25Å; V299-K301 PolarHBondContact O-N 3.43Å; K301-F303 VanDerWaalsContact C-N 3.26Å; K301-F303 PolarHBondContact O-N 2.63Å; K301-E329 WeakPolarHBondContact CE-OE2 3.46Å; K301-E329 IonicContact NZ-OE1 3.38Å; K301-E329 PolarHBondContact NZ-OE1 3.41Å; K301-E329 IonicContact NZ-OE2 2.71Å; K301-E329 PolarHBondContact NZ-OE2 3.42Å; K301-F330 HydrophobicContact CG-CD1 3.87Å; K301-F330 HydrophobicContact CG-CE1 3.8Å
302	K	91	Very high	92	Very high	135 Å²	135	38.5 Å²	38.5	59%	0.587	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.3	-178.2	-63.7	176.2	-177.3	178.5	0	112.9	V299 F300	V299-K302 WeakPolarHBondContact O-CB 3.33Å; V299-K302 PolarHBondContact O-N 3.25Å; F300-K302 PolarHBondContact O-N 2.92Å
303	F	91.8	Very high	91.5	Very high	29 Å²	29	38.1 Å²	38.1	13%	0.127	18%	0.18	C	C	.	.	S	Bend	trans	-96.8	143.3	-177	-63.2	-89.1	0	0	0	111.3	M278 M279 W283 V299 F300 K301 W305	M278-F303 HydrophobicContact CE-CD2 4.27Å; M278-F303 HydrophobicContact CE-CE2 3.71Å; M278-F303 HydrophobicContact CE-CZ 4.32Å; M278-F303 HydrophobicContact CG-CE2 4.33Å; M278-F303 HydrophobicContact CG-CZ 4.07Å; M278-F303 HydrophobicContact SD-CE2 4.43Å; M279-F303 HydrophobicContact SD-CZ 4.33Å; W283-F303 HydrophobicContact CH2-CD1 4.39Å; W283-F303 HydrophobicContact CH2-CE1 4.29Å; W283-F303 HydrophobicContact CZ2-CD1 4.39Å; W283-F303 AromaticContact CZ2-CE1 3.83Å; W283-F303 HydrophobicContact CZ2-CE1 3.83Å; W283-F303 HydrophobicContact CZ2-CZ 4.15Å; V299-F303 HydrophobicContact CG1-CE2 4.25Å; V299-F303 WeakPolarHBondContact O-CD2 3.19Å; F300-F303 PolarHBondContact O-N 3.39Å; K301-F303 VanDerWaalsContact C-N 3.26Å; K301-F303 PolarHBondContact O-N 2.63Å; F303-W305 HydrophobicContact CB-CD2 4.09Å; F303-W305 HydrophobicContact CB-CH2 4.28Å; F303-W305 HydrophobicContact CB-CZ2 3.62Å; F303-W305 HydrophobicContact CD2-CH2 4.43Å; F303-W305 AromaticContact CD2-CZ2 3.91Å; F303-W305 HydrophobicContact CD2-CZ2 3.91Å; F303-W305 HydrophobicContact CG-CH2 4.27Å; F303-W305 AromaticContact CG-CZ2 3.88Å; F303-W305 HydrophobicContact CG-CZ2 3.88Å
304	H	91.7	Very high	90.6	Very high	62 Å²	62	41.2 Å²	41.2	29%	0.287	20%	0.195	S	C	.	.			trans	-98.3	95.8	169.2	-67.4	87.9	0	0	0	107.7	Y83 K331	Y83-H304 HydrophobicContact CD2-CB 3.97Å; Y83-H304 AromaticContact CE1-CD2 3.94Å; Y83-H304 HydrophobicContact CE2-CB 3.72Å; H304-K331 VanDerWaalsContact CD2-CD 3.4Å; H304-K331 WeakPolarHBondContact CD2-CD 3.49Å; H304-K331 VanDerWaalsContact NE2-CD 3.28Å; H304-K331 WeakPolarHBondContact NE2-CD 3.35Å; H304-K331 PolarHBondContact NE2-NZ 3.49Å
305	W	94.2	Very high	89.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-73.3	130.7	-171.4	-59.5	98.2	0	0	0	111.1	P234 H235 M236 W283 C286 F300 F303 K331 S332 T333	P234-W305 HydrophobicContact CB-CE3 4Å; P234-W305 HydrophobicContact CB-CZ3 4.01Å; P234-W305 HydrophobicContact CG-CE3 4.44Å; H235-W305 WeakPolarHBondContact O-CZ3 3.46Å; M236-W305 HydrophobicContact CB-CD2 3.77Å; M236-W305 HydrophobicContact CB-CE3 3.5Å; M236-W305 HydrophobicContact CB-CG 4.42Å; M236-W305 HydrophobicContact CB-CH2 4.15Å; M236-W305 HydrophobicContact CB-CZ2 4.44Å; M236-W305 HydrophobicContact CB-CZ3 3.67Å; M236-W305 HydrophobicContact CG-CE3 4.5Å; M236-W305 HydrophobicContact CG-CH2 4.33Å; M236-W305 HydrophobicContact CG-CZ3 4.32Å; M236-W305 HydrophobicContact SD-CD2 4.41Å; M236-W305 HydrophobicContact SD-CH2 4.27Å; M236-W305 HydrophobicContact SD-CZ2 3.91Å; W283-W305 AromaticContact CH2-CH2 3.65Å; W283-W305 HydrophobicContact CH2-CH2 3.65Å; W283-W305 AromaticContact CH2-CZ3 3.6Å; W283-W305 HydrophobicContact CH2-CZ3 3.6Å; W283-W305 HydrophobicContact CZ3-CH2 4.28Å; W283-W305 AromaticContact CZ3-CZ3 3.81Å; W283-W305 HydrophobicContact CZ3-CZ3 3.81Å; C286-W305 HydrophobicContact CB-CH2 4.08Å; C286-W305 HydrophobicContact CB-CZ3 4.14Å; F300-W305 HydrophobicContact CD1-CH2 4.21Å; F300-W305 AromaticContact CD1-CZ2 3.67Å; F300-W305 HydrophobicContact CD1-CZ2 3.67Å; F300-W305 HydrophobicContact CE1-CZ2 4.42Å; F300-W305 PolarHBondContact O-NE1 3.33Å; F300-W305 VanDerWaalsContact O-NE1 3.14Å; F303-W305 HydrophobicContact CB-CD2 4.09Å; F303-W305 HydrophobicContact CB-CH2 4.28Å; F303-W305 HydrophobicContact CB-CZ2 3.62Å; F303-W305 HydrophobicContact CD2-CH2 4.43Å; F303-W305 AromaticContact CD2-CZ2 3.91Å; F303-W305 HydrophobicContact CD2-CZ2 3.91Å; F303-W305 HydrophobicContact CG-CH2 4.27Å; F303-W305 AromaticContact CG-CZ2 3.88Å; F303-W305 HydrophobicContact CG-CZ2 3.88Å; W305-K331 PolarHBondContact N-O 2.91Å; W305-S332 CarbonylContact O-C 3.57Å; W305-S332 WeakPolarHBondContact O-CA 3.43Å; W305-T333 PolarHBondContact O-N 3.09Å
306	R	92.5	Very high	89	Confident	32 Å²	32	39.1 Å²	39.1	12%	0.121	18%	0.179	C	C	.	.	S	Bend	trans	-79.3	-25.7	174.7	-63.5	-64.2	-173.5	-177.3	-3.6	112.1	D80 I231 G233 P234 T333	D80-R306 IonicContact OD2-CZ 2.79Å; D80-R306 IonicContact OD2-NH2 3.95Å; D80-R306 PolarHBondContact OD2-NH2 3.38Å; I231-R306 HydrophobicContact CG2-CB 4.06Å; I231-R306 HydrophobicContact CG2-CG 3.82Å; G233-R306 WeakPolarHBondContact O-CG 3.49Å; P234-R306 PolarHBondContact O-N 2.84Å; R306-T333 PolarHBondContact O-OG1 3.04Å
307	Y	94.8	Very high	88.1	Confident	1 Å²	1	38.5 Å²	38.5	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	133.5	175	-139.8	-68.3	0	0	0	109.5	Y198 L221 L222 L225 H235 M236 V309 N334 L336	Y198-Y307 HydrophobicContact CD2-CD2 4.42Å; Y198-Y307 HydrophobicContact CD2-CE2 4.04Å; L221-Y307 HydrophobicContact CD2-CE1 4.29Å; L221-Y307 HydrophobicContact CD2-CE2 3.73Å; L221-Y307 HydrophobicContact CG-CE2 4.5Å; L222-Y307 HydrophobicContact CD2-CG 4.25Å; L225-Y307 HydrophobicContact CD1-CD2 3.67Å; L225-Y307 HydrophobicContact CD1-CE2 4.37Å; L225-Y307 HydrophobicContact CD1-CG 4.47Å; H235-Y307 WeakPolarHBondContact CA-O 3.44Å; H235-Y307 WeakPolarHBondContact ND1-CB 3.45Å; H235-Y307 PolarHBondContact ND1-N 2.95Å; M236-Y307 PolarHBondContact N-O 3.44Å; Y307-V309 HydrophobicContact CD1-CG2 3.93Å; Y307-V309 HydrophobicContact CE1-CG2 4.38Å; Y307-N334 WeakPolarHBondContact CA-O 3.41Å; Y307-N334 HydrophobicContact CD1-CB 4.44Å; Y307-N334 HydrophobicContact CD2-CB 3.67Å; Y307-N334 HydrophobicContact CE1-CB 4.26Å; Y307-N334 HydrophobicContact CE2-CB 3.54Å; Y307-N334 HydrophobicContact CG-CB 4.15Å; Y307-L336 HydrophobicContact CD1-CB 4.49Å; Y307-L336 HydrophobicContact CE1-CB 3.53Å
308	L	94.8	Very high	87.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	111.1	176.5	-169.8	161.5	0	0	0	109.1	M236 I310 V327 F330 N334 R335 L336 F356	M236-L308 HydrophobicContact CE-CD1 3.41Å; M236-L308 VanDerWaalsContact CE-CD1 3.41Å; M236-L308 HydrophobicContact CE-CD2 4.45Å; M236-L308 HydrophobicContact CE-CG 3.57Å; L308-I310 HydrophobicContact CD2-CD1 3.81Å; L308-I310 HydrophobicContact CD2-CG1 3.45Å; L308-I310 VanDerWaalsContact CD2-CG1 3.45Å; L308-V327 HydrophobicContact CD1-CG1 4Å; L308-V327 HydrophobicContact CD2-CG1 4.07Å; L308-F330 HydrophobicContact CD1-CB 4.25Å; L308-F330 HydrophobicContact CD1-CD2 4.35Å; L308-N334 PolarHBondContact N-O 3.36Å; L308-R335 HydrophobicContact CB-CG 4.34Å; L308-R335 CarbonylContact O-C 3.43Å; L308-R335 VanDerWaalsContact O-CA 3.28Å; L308-R335 WeakPolarHBondContact O-CA 3.35Å; L308-L336 PolarHBondContact O-N 3.06Å; L308-F356 HydrophobicContact CD2-CZ 4.02Å
309	V	95.3	Very high	86.2	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.9	178.2	-179.7	0	0	0	0	108.9	T218 M236 V237 L238 W247 Y307 L336 L338	T218-V309 HydrophobicContact CG2-CB 4.39Å; T218-V309 HydrophobicContact CG2-CG1 3.81Å; T218-V309 HydrophobicContact CG2-CG2 3.7Å; M236-V309 PolarHBondContact O-N 3.02Å; V237-V309 HydrophobicContact CB-CB 4.42Å; V237-V309 HydrophobicContact CG1-CB 4.14Å; V237-V309 HydrophobicContact CG1-CG1 4.13Å; V237-V309 HydrophobicContact CG2-CB 4.22Å; V237-V309 HydrophobicContact CG2-CG2 4.42Å; L238-V309 PolarHBondContact N-O 2.71Å; W247-V309 HydrophobicContact CH2-CG1 4.26Å; Y307-V309 HydrophobicContact CD1-CG2 3.93Å; Y307-V309 HydrophobicContact CE1-CG2 4.38Å; V309-L336 WeakPolarHBondContact CA-O 3.45Å; V309-L336 HydrophobicContact CG2-CB 4.49Å; V309-L338 HydrophobicContact CG1-CD1 3.83Å; V309-L338 HydrophobicContact CG1-CG 4.1Å
310	I	92.7	Very high	85.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.8	172.5	-54.9	-171.9	0	0	0	108.7	L238 Y290 L308 A313 I316 V327 L336 L337 L338 F356	L238-I310 HydrophobicContact CB-CG1 4.43Å; L238-I310 HydrophobicContact CD1-CD1 4.5Å; L238-I310 HydrophobicContact CD1-CG1 4.3Å; Y290-I310 HydrophobicContact CE1-CG2 3.89Å; Y290-I310 WeakPolarHBondContact OH-CG2 3.43Å; L308-I310 HydrophobicContact CD2-CD1 3.81Å; L308-I310 HydrophobicContact CD2-CG1 3.45Å; L308-I310 VanDerWaalsContact CD2-CG1 3.45Å; I310-A313 HydrophobicContact CG2-CB 4.24Å; I310-I316 HydrophobicContact CD1-CD1 4.35Å; I310-I316 HydrophobicContact CD1-CG2 4.18Å; I310-I316 HydrophobicContact CG2-CG2 4.48Å; I310-V327 HydrophobicContact CD1-CG1 3.87Å; I310-L336 PolarHBondContact N-O 3.36Å; I310-L337 HydrophobicContact CB-CD2 3.73Å; I310-L337 HydrophobicContact CD1-CD2 3.94Å; I310-L337 HydrophobicContact CG1-CD2 4.08Å; I310-L337 HydrophobicContact CG2-CD2 4.38Å; I310-L338 PolarHBondContact O-N 3.01Å; I310-F356 HydrophobicContact CD1-CE1 4.29Å; I310-F356 HydrophobicContact CD1-CE2 3.54Å; I310-F356 HydrophobicContact CD1-CZ 3.33Å; I310-F356 HydrophobicContact CG1-CZ 4.07Å
311	D	91	Very high	84.8	Confident	12 Å²	12	45.1 Å²	45.1	6%	0.064	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	141.7	175.7	-164.2	19.4	0	0	0	111.8	L238 V239 W247 Y290 L338	L238-D311 PolarHBondContact O-N 3.23Å; V239-D311 HydrophobicContact CB-CB 4.27Å; V239-D311 HydrophobicContact CG1-CB 3.88Å; W247-D311 HydrophobicContact CZ2-CB 3.93Å; W247-D311 PolarHBondContact NE1-OD2 2.7Å; Y290-D311 PolarHBondContact OH-O 2.95Å; D311-L338 HydrophobicContact CB-CD1 4.28Å; D311-L338 WeakPolarHBondContact OD1-CB 3.47Å
312	E	82.6	Confident	84.4	Confident	28 Å²	28	48.4 Å²	48.4	13%	0.131	22%	0.218	C	C	.	.	S	Bend	trans	54.8	52.1	-170.7	-68.5	-59.9	153.2	0	0	112.7	P240 H314 R315 L338	P240-E312 HydrophobicContact CG-CB 3.91Å; P240-E312 HydrophobicContact CG-CG 4.04Å; E312-H314 PolarHBondContact O-N 2.83Å; E312-H314 PolarHBondContact O-ND1 2.86Å; E312-H314 IonicContact OE2-CE1 3.88Å; E312-H314 PolarHBondContact OE2-CE1 2.74Å; E312-H314 VanDerWaalsContact OE2-CE1 3.3Å; E312-H314 IonicContact OE2-ND1 2.73Å; E312-H314 PolarHBondContact OE2-ND1 2.87Å; E312-R315 PolarHBondContact O-N 3.38Å; E312-L338 WeakPolarHBondContact CA-O 3.48Å; E312-L338 PolarHBondContact N-O 3.16Å
313	A	79.8	Confident	84	Confident	3 Å²	3	42.3 Å²	42.3	3%	0.025	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-59.5	-1.1	-176.4	0	0	0	0	0	115.3	I310 R315 I316 L337 L338	I310-A313 HydrophobicContact CG2-CB 4.24Å; A313-R315 PolarHBondContact O-N 3.1Å; A313-I316 HydrophobicContact CB-CD1 4.44Å; A313-I316 HydrophobicContact CB-CG1 4.19Å; A313-I316 WeakPolarHBondContact O-CG1 3.43Å; A313-I316 PolarHBondContact O-N 3.28Å; A313-I316 VanDerWaalsContact O-N 3.09Å; A313-L337 HydrophobicContact CB-CB 3.84Å; A313-L337 HydrophobicContact CB-CD1 4.4Å; A313-L337 HydrophobicContact CB-CD2 3.83Å; A313-L337 HydrophobicContact CB-CG 4.24Å; A313-L338 PolarHBondContact N-O 3.27Å
314	H	74.5	Confident	83.6	Confident	66 Å²	66	41.1 Å²	41.1	31%	0.306	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-56.3	-21.3	168.9	68.7	-101.1	0	0	0	112.6	E312 I316 K317	E312-H314 PolarHBondContact O-N 2.83Å; E312-H314 PolarHBondContact O-ND1 2.86Å; E312-H314 IonicContact OE2-CE1 3.88Å; E312-H314 PolarHBondContact OE2-CE1 2.74Å; E312-H314 VanDerWaalsContact OE2-CE1 3.3Å; E312-H314 IonicContact OE2-ND1 2.73Å; E312-H314 PolarHBondContact OE2-ND1 2.87Å; H314-I316 PolarHBondContact O-N 2.89Å; H314-K317 HydrophobicContact CB-CD 4.23Å; H314-K317 WeakPolarHBondContact O-CG 3.39Å
315	R	72.3	Confident	83.2	Confident	152 Å²	152	43.1 Å²	43.1	57%	0.574	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-69.4	-23.1	175.8	-64.7	-66.3	-179.3	157.6	3.5	115.1	Y290 E312 A313 L323	Y290-R315 HydrophobicContact CD2-CG 4.38Å; Y290-R315 HydrophobicContact CE2-CB 4.31Å; Y290-R315 HydrophobicContact CE2-CG 3.92Å; E312-R315 PolarHBondContact O-N 3.38Å; A313-R315 PolarHBondContact O-N 3.1Å; R315-L323 HydrophobicContact CB-CD2 4.13Å
316	I	75.6	Confident	82.9	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-98.5	2.6	-178.9	61.4	153.8	0	0	0	113.5	I310 A313 H314 N318 L323 L337 L353 F356	I310-I316 HydrophobicContact CD1-CD1 4.35Å; I310-I316 HydrophobicContact CD1-CG2 4.18Å; I310-I316 HydrophobicContact CG2-CG2 4.48Å; A313-I316 HydrophobicContact CB-CD1 4.44Å; A313-I316 HydrophobicContact CB-CG1 4.19Å; A313-I316 WeakPolarHBondContact O-CG1 3.43Å; A313-I316 PolarHBondContact O-N 3.28Å; A313-I316 VanDerWaalsContact O-N 3.09Å; H314-I316 PolarHBondContact O-N 2.89Å; I316-N318 PolarHBondContact O-N 2.84Å; I316-L323 HydrophobicContact CG2-CD2 4.08Å; I316-L323 HydrophobicContact CG2-CG 4.43Å; I316-L337 HydrophobicContact CD1-CD1 3.8Å; I316-L337 HydrophobicContact CD1-CD2 3.49Å; I316-L337 VanDerWaalsContact CD1-CD2 3.49Å; I316-L337 HydrophobicContact CD1-CG 4.3Å; I316-L353 HydrophobicContact CD1-CD2 4.31Å; I316-F356 HydrophobicContact CD1-CD1 4.35Å; I316-F356 HydrophobicContact CD1-CD2 4.11Å; I316-F356 HydrophobicContact CD1-CE2 4.4Å; I316-F356 HydrophobicContact CD1-CG 4.08Å
317	K	74.1	Confident	82.6	Confident	20 Å²	20	42.2 Å²	42.2	9%	0.087	20%	0.195	C	C	.	.	S	Bend	trans	-58.8	-34.1	-178.3	-76.4	179.5	170.7	-167.8	0	113	H314 T341 E349	H314-K317 HydrophobicContact CB-CD 4.23Å; H314-K317 WeakPolarHBondContact O-CG 3.39Å; K317-T341 PolarHBondContact NZ-O 2.96Å; K317-E349 HydrophobicContact CB-CG 4Å; K317-E349 WeakPolarHBondContact CD-OE2 3.38Å
318	N	72.7	Confident	82.1	Confident	94 Å²	94	45.1 Å²	45.1	50%	0.503	21%	0.206	S	C	.	.			trans	-87.4	111.5	174.9	-174.9	-5	0	0	0	110.3	I316 K320 S321 S324	I316-N318 PolarHBondContact O-N 2.84Å; N318-K320 PolarHBondContact O-N 2.8Å; N318-K320 WeakPolarHBondContact OD1-CB 3.45Å; N318-K320 PolarHBondContact OD1-N 3.39Å; N318-S321 WeakPolarHBondContact O-CB 3.27Å; N318-S321 PolarHBondContact O-N 3.46Å; N318-S324 WeakPolarHBondContact O-CB 3.44Å
319	E	71.9	Confident	81.7	Confident	31 Å²	31	49.9 Å²	49.9	15%	0.145	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-33.5	177.1	67.6	-158.2	-163.8	0	0	113.5	S321 S324 H348 W351 A352	E319-S321 PolarHBondContact O-N 3.1Å; E319-S324 PolarHBondContact O-OG 3.2Å; E319-H348 IonicContact OE1-ND1 2.7Å; E319-H348 IonicContact OE2-ND1 2.73Å; E319-W351 HydrophobicContact CB-CE3 4.35Å; E319-W351 HydrophobicContact CB-CZ3 3.88Å; E319-W351 HydrophobicContact CG-CZ3 4.39Å; E319-W351 VanDerWaalsContact OE2-CZ3 3.25Å; E319-W351 WeakPolarHBondContact OE2-CZ3 3.32Å; E319-A352 HydrophobicContact CB-CB 4.06Å
320	K	75.8	Confident	81.4	Confident	157 Å²	157	49.9 Å²	49.9	68%	0.683	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.3	179	-56.8	-177.2	179.6	176.1	0	112.8	N318 K322	N318-K320 PolarHBondContact O-N 2.8Å; N318-K320 WeakPolarHBondContact OD1-CB 3.45Å; N318-K320 PolarHBondContact OD1-N 3.39Å; K320-K322 PolarHBondContact O-N 3.15Å
321	S	80	Confident	81.2	Confident	37 Å²	37	55 Å²	55	26%	0.259	25%	0.25	S	C	.	.	S	Bend	trans	-68	131.1	172.7	179.4	0	0	0	0	109.4	N318 E319 L323 S324 E325	N318-S321 WeakPolarHBondContact O-CB 3.27Å; N318-S321 PolarHBondContact O-N 3.46Å; E319-S321 PolarHBondContact O-N 3.1Å; S321-L323 PolarHBondContact O-N 3.25Å; S321-L323 PolarHBondContact OG-N 3.04Å; S321-S324 WeakPolarHBondContact O-CA 3.36Å; S321-S324 WeakPolarHBondContact O-CB 3.17Å; S321-S324 PolarHBondContact O-N 3.4Å; S321-E325 PolarHBondContact O-N 3.47Å; S321-E325 VanDerWaalsContact O-N 3.08Å
322	K	82.9	Confident	81.1	Confident	152 Å²	152	55 Å²	55	66%	0.661	25%	0.251	S	S	*	.	H	α-helix	trans	-48.7	-35.4	173.3	-70.3	-178	178.6	177.6	0	112.6	K320 I326	K320-K322 PolarHBondContact O-N 3.15Å; K322-I326 WeakPolarHBondContact O-CB 3.26Å; K322-I326 WeakPolarHBondContact O-CD1 3.47Å; K322-I326 WeakPolarHBondContact O-CG1 3.01Å; K322-I326 PolarHBondContact O-N 3.25Å
323	L	83.2	Confident	81.4	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-46.2	176.5	178.6	68.5	0	0	0	111.8	Y290 V293 I294 R315 I316 S321 E325 I326 V327	Y290-L323 HydrophobicContact CD1-CD1 3.67Å; Y290-L323 HydrophobicContact CD1-CD2 3.28Å; Y290-L323 HydrophobicContact CD1-CG 4.08Å; Y290-L323 HydrophobicContact CE1-CD2 3.64Å; Y290-L323 HydrophobicContact CG-CD1 4.37Å; Y290-L323 HydrophobicContact CG-CD2 3.81Å; V293-L323 HydrophobicContact CG1-CD1 4.49Å; I294-L323 HydrophobicContact CD1-CB 4.34Å; I294-L323 HydrophobicContact CG1-CD1 4.35Å; R315-L323 HydrophobicContact CB-CD2 4.13Å; I316-L323 HydrophobicContact CG2-CD2 4.08Å; I316-L323 HydrophobicContact CG2-CG 4.43Å; S321-L323 PolarHBondContact O-N 3.25Å; S321-L323 PolarHBondContact OG-N 3.04Å; L323-E325 VanDerWaalsContact C-N 3.32Å; L323-E325 PolarHBondContact O-N 2.86Å; L323-I326 PolarHBondContact O-N 3.48Å; L323-V327 HydrophobicContact CD1-CG2 3.81Å; L323-V327 HydrophobicContact CG-CG2 4.23Å; L323-V327 WeakPolarHBondContact O-CB 3.49Å; L323-V327 WeakPolarHBondContact O-CG2 3.36Å; L323-V327 PolarHBondContact O-N 2.91Å
324	S	82.2	Confident	81.9	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-45.2	178.2	168.6	0	0	0	0	110.4	N318 E319 S321 R328	N318-S324 WeakPolarHBondContact O-CB 3.44Å; E319-S324 PolarHBondContact O-OG 3.2Å; S321-S324 WeakPolarHBondContact O-CA 3.36Å; S321-S324 WeakPolarHBondContact O-CB 3.17Å; S321-S324 PolarHBondContact O-N 3.4Å; S324-R328 WeakPolarHBondContact O-CB 3.36Å; S324-R328 WeakPolarHBondContact O-CD 3.32Å; S324-R328 WeakPolarHBondContact O-CG 3.42Å; S324-R328 PolarHBondContact O-N 2.83Å; S324-R328 VanDerWaalsContact O-N 3.09Å; S324-R328 PolarHBondContact OG-NE 2.95Å; S324-R328 PolarHBondContact OG-NH2 2.82Å
325	E	84.8	Confident	82.7	Confident	104 Å²	104	51.4 Å²	51.4	49%	0.486	23%	0.234	S	C	.	.	H	α-helix	trans	-58.9	-52.3	176.3	-66.2	174.9	177.7	0	0	111.9	S321 L323 V327 R328 E329	S321-E325 PolarHBondContact O-N 3.47Å; S321-E325 VanDerWaalsContact O-N 3.08Å; L323-E325 VanDerWaalsContact C-N 3.32Å; L323-E325 PolarHBondContact O-N 2.86Å; E325-V327 PolarHBondContact O-N 3.31Å; E325-R328 PolarHBondContact O-N 2.93Å; E325-E329 WeakPolarHBondContact O-CG 3.21Å; E325-E329 PolarHBondContact O-N 2.98Å
326	I	87.3	Confident	83.7	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.062	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-43.8	-177	-69.9	168.6	0	0	0	111.7	V293 I294 K297 K322 L323 R328 E329 F330	V293-I326 HydrophobicContact CG1-CG2 3.87Å; I294-I326 HydrophobicContact CB-CD1 4.21Å; I294-I326 HydrophobicContact CG1-CD1 4.07Å; I294-I326 HydrophobicContact CG2-CD1 4.11Å; K297-I326 HydrophobicContact CB-CG2 3.84Å; K297-I326 HydrophobicContact CD-CD1 4.08Å; K297-I326 HydrophobicContact CD-CG1 4.19Å; K322-I326 WeakPolarHBondContact O-CB 3.26Å; K322-I326 WeakPolarHBondContact O-CD1 3.47Å; K322-I326 WeakPolarHBondContact O-CG1 3.01Å; K322-I326 PolarHBondContact O-N 3.25Å; L323-I326 PolarHBondContact O-N 3.48Å; I326-R328 VanDerWaalsContact C-N 3.28Å; I326-R328 PolarHBondContact O-N 3.36Å; I326-E329 WeakPolarHBondContact O-CB 3.41Å; I326-E329 PolarHBondContact O-N 3.49Å; I326-E329 VanDerWaalsContact O-N 3.16Å; I326-F330 HydrophobicContact CG2-CE1 3.99Å; I326-F330 HydrophobicContact CG2-CE2 4.12Å; I326-F330 HydrophobicContact CG2-CZ 3.54Å
327	V	87.4	Confident	84.5	Confident	1 Å²	1	44 Å²	44	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-68.2	-32.2	-178	178.6	0	0	0	0	111.2	L238 V293 L308 I310 L323 E325 E329 F330 F356	L238-V327 HydrophobicContact CD1-CG1 4.39Å; L238-V327 HydrophobicContact CD1-CG2 3.73Å; V293-V327 HydrophobicContact CG1-CG2 4.46Å; L308-V327 HydrophobicContact CD1-CG1 4Å; L308-V327 HydrophobicContact CD2-CG1 4.07Å; I310-V327 HydrophobicContact CD1-CG1 3.87Å; L323-V327 HydrophobicContact CD1-CG2 3.81Å; L323-V327 HydrophobicContact CG-CG2 4.23Å; L323-V327 WeakPolarHBondContact O-CB 3.49Å; L323-V327 WeakPolarHBondContact O-CG2 3.36Å; L323-V327 PolarHBondContact O-N 2.91Å; E325-V327 PolarHBondContact O-N 3.31Å; V327-E329 VanDerWaalsContact C-N 3.26Å; V327-E329 PolarHBondContact O-N 2.97Å; V327-F330 HydrophobicContact CG2-CE2 4.44Å; V327-F330 PolarHBondContact O-N 3.22Å; V327-F356 HydrophobicContact CG1-CE2 3.77Å; V327-F356 HydrophobicContact CG1-CZ 4.48Å
328	R	83	Confident	85.3	Confident	61 Å²	61	43.1 Å²	43.1	23%	0.23	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-31.2	173.9	-73.8	170.9	-165.8	-147.3	4.5	112.4	S324 E325 I326 F330 W351 N355	S324-R328 WeakPolarHBondContact O-CB 3.36Å; S324-R328 WeakPolarHBondContact O-CD 3.32Å; S324-R328 WeakPolarHBondContact O-CG 3.42Å; S324-R328 PolarHBondContact O-N 2.83Å; S324-R328 VanDerWaalsContact O-N 3.09Å; S324-R328 PolarHBondContact OG-NE 2.95Å; S324-R328 PolarHBondContact OG-NH2 2.82Å; E325-R328 PolarHBondContact O-N 2.93Å; I326-R328 VanDerWaalsContact C-N 3.28Å; I326-R328 PolarHBondContact O-N 3.36Å; R328-F330 PolarHBondContact O-N 3.12Å; R328-W351 VanDerWaalsContact NH1-CZ3 3.25Å; R328-N355 PolarHBondContact NE-OD1 3.31Å; R328-N355 PolarHBondContact NH1-OD1 3.15Å
329	E	85.9	Confident	85.8	Confident	100 Å²	100	38.9 Å²	38.9	47%	0.467	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.7	176.5	-61.7	176.6	122.9	0	0	113.5	K301 E325 I326 V327	K301-E329 WeakPolarHBondContact CE-OE2 3.46Å; K301-E329 IonicContact NZ-OE1 3.38Å; K301-E329 PolarHBondContact NZ-OE1 3.41Å; K301-E329 IonicContact NZ-OE2 2.71Å; K301-E329 PolarHBondContact NZ-OE2 3.42Å; E325-E329 WeakPolarHBondContact O-CG 3.21Å; E325-E329 PolarHBondContact O-N 2.98Å; I326-E329 WeakPolarHBondContact O-CB 3.41Å; I326-E329 PolarHBondContact O-N 3.49Å; I326-E329 VanDerWaalsContact O-N 3.16Å; V327-E329 VanDerWaalsContact C-N 3.26Å; V327-E329 PolarHBondContact O-N 2.97Å
330	F	89.6	Confident	85.6	Confident	2 Å²	2	38 Å²	38	1%	0.009	18%	0.178	C	C	.	.	S	Bend	trans	-78.7	125.7	-179.1	-62.2	-27.2	0	0	0	112.5	M236 V293 F300 K301 L308 I326 V327 R328 S332 R335	M236-F330 HydrophobicContact CE-CD2 3.67Å; M236-F330 HydrophobicContact CE-CE2 3.99Å; V293-F330 HydrophobicContact CG1-CE2 3.5Å; V293-F330 VanDerWaalsContact CG1-CE2 3.5Å; V293-F330 HydrophobicContact CG1-CZ 3.64Å; F300-F330 HydrophobicContact CB-CD1 4.45Å; F300-F330 HydrophobicContact CB-CE1 3.69Å; F300-F330 HydrophobicContact CB-CE2 4.15Å; F300-F330 HydrophobicContact CB-CZ 3.5Å; F300-F330 HydrophobicContact CG-CZ 4.34Å; K301-F330 HydrophobicContact CG-CD1 3.87Å; K301-F330 HydrophobicContact CG-CE1 3.8Å; L308-F330 HydrophobicContact CD1-CB 4.25Å; L308-F330 HydrophobicContact CD1-CD2 4.35Å; I326-F330 HydrophobicContact CG2-CE1 3.99Å; I326-F330 HydrophobicContact CG2-CE2 4.12Å; I326-F330 HydrophobicContact CG2-CZ 3.54Å; V327-F330 HydrophobicContact CG2-CE2 4.44Å; V327-F330 PolarHBondContact O-N 3.22Å; R328-F330 PolarHBondContact O-N 3.12Å; F330-S332 PolarHBondContact O-N 2.88Å; F330-S332 PolarHBondContact O-OG 2.85Å; F330-R335 PolarHBondContact O-NH2 3.05Å
331	K	88.4	Confident	85	Confident	106 Å²	106	32 Å²	32	46%	0.461	16%	0.155	S	C	.	.			trans	-68	117.7	173.8	-64.6	-174.9	-178.5	-175.7	0	109.6	H304 W305	H304-K331 VanDerWaalsContact CD2-CD 3.4Å; H304-K331 WeakPolarHBondContact CD2-CD 3.49Å; H304-K331 VanDerWaalsContact NE2-CD 3.28Å; H304-K331 WeakPolarHBondContact NE2-CD 3.35Å; H304-K331 PolarHBondContact NE2-NZ 3.49Å; W305-K331 PolarHBondContact N-O 2.91Å
332	S	89.8	Confident	83.9	Confident	13 Å²	13	30.4 Å²	30.4	9%	0.091	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-142.8	141.9	178.7	37.1	0	0	0	0	111	W305 F330 R335	W305-S332 CarbonylContact O-C 3.57Å; W305-S332 WeakPolarHBondContact O-CA 3.43Å; F330-S332 PolarHBondContact O-N 2.88Å; F330-S332 PolarHBondContact O-OG 2.85Å; S332-R335 PolarHBondContact OG-NE 2.74Å
333	T	87.7	Confident	82.5	Confident	4 Å²	4	24.2 Å²	24.2	3%	0.025	12%	0.117	C	C	.	.	S	Bend	trans	-78.4	-44.4	173.9	62.8	0	0	0	0	111.8	Y83 M87 W305 R306	Y83-T333 HydrophobicContact CD2-CG2 3.92Å; Y83-T333 HydrophobicContact CE2-CG2 3.34Å; M87-T333 HydrophobicContact CG-CG2 4.32Å; M87-T333 HydrophobicContact SD-CG2 3.79Å; W305-T333 PolarHBondContact O-N 3.09Å; R306-T333 PolarHBondContact O-OG1 3.04Å
334	N	90.6	Very high	81.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.			trans	-131.5	148.6	-178.8	-59	79.1	0	0	0	110.9	N203 Y307 L308	N203-N334 WeakPolarHBondContact OD1-CA 3.43Å; Y307-N334 WeakPolarHBondContact CA-O 3.41Å; Y307-N334 HydrophobicContact CD1-CB 4.44Å; Y307-N334 HydrophobicContact CD2-CB 3.67Å; Y307-N334 HydrophobicContact CE1-CB 4.26Å; Y307-N334 HydrophobicContact CE2-CB 3.54Å; Y307-N334 HydrophobicContact CG-CB 4.15Å; L308-N334 PolarHBondContact N-O 3.36Å
335	R	92.4	Very high	80.1	Confident	18 Å²	18	26.2 Å²	26.2	7%	0.068	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.2	-178.1	-59.1	178.3	174.6	179.6	-4.7	110.4	N203 G204 L308 F330 S332 F356	N203-R335 WeakPolarHBondContact CA-O 3.44Å; N203-R335 HydrophobicContact CB-CB 4.32Å; N203-R335 WeakPolarHBondContact CB-O 3.3Å; N203-R335 PolarHBondContact OD1-N 2.87Å; N203-R335 PolarHBondContact OD1-O 3.06Å; G204-R335 PolarHBondContact N-O 3.32Å; L308-R335 HydrophobicContact CB-CG 4.34Å; L308-R335 CarbonylContact O-C 3.43Å; L308-R335 VanDerWaalsContact O-CA 3.28Å; L308-R335 WeakPolarHBondContact O-CA 3.35Å; F330-R335 PolarHBondContact O-NH2 3.05Å; S332-R335 PolarHBondContact OG-NE 2.74Å; R335-F356 HydrophobicContact CB-CE1 3.7Å; R335-F356 HydrophobicContact CB-CZ 4.1Å; R335-F356 VanDerWaalsContact CD-O 3.3Å; R335-F356 WeakPolarHBondContact CD-O 3.42Å; R335-F356 HydrophobicContact CG-CE1 4.32Å; R335-F356 HydrophobicContact CG-CZ 4.31Å; R335-F356 PolarHBondContact NH1-O 3.41Å; R335-F356 VanDerWaalsContact NH1-O 3.1Å
336	L	93.4	Very high	79	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.1	176.1	174.1	65.3	0	0	0	110.5	L194 G204 L206 T218 Y307 L308 V309 I310 L338	L194-L336 HydrophobicContact CD2-CD1 3.7Å; L194-L336 HydrophobicContact CD2-CD2 4.01Å; G204-L336 WeakPolarHBondContact O-CA 3.31Å; G204-L336 WeakPolarHBondContact O-CD1 3.3Å; L206-L336 HydrophobicContact CB-CD1 4.13Å; T218-L336 HydrophobicContact CG2-CD2 3.91Å; Y307-L336 HydrophobicContact CD1-CB 4.49Å; Y307-L336 HydrophobicContact CE1-CB 3.53Å; L308-L336 PolarHBondContact O-N 3.06Å; V309-L336 WeakPolarHBondContact CA-O 3.45Å; V309-L336 HydrophobicContact CG2-CB 4.49Å; I310-L336 PolarHBondContact N-O 3.36Å; L336-L338 HydrophobicContact CD1-CD2 4.19Å; L336-L338 HydrophobicContact CD2-CD2 3.77Å; L336-L338 HydrophobicContact CG-CD2 3.73Å
337	L	91.7	Very high	77.9	Confident	1 Å²	1	25 Å²	25	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.2	172.7	-61.1	-178	0	0	0	109.8	G204 I205 L206 I310 A313 I316 L353 F356	G204-L337 PolarHBondContact O-N 3.46Å; I205-L337 CarbonylContact C-O 3.59Å; I205-L337 WeakPolarHBondContact CA-O 3.24Å; I205-L337 HydrophobicContact CD1-CD1 4.43Å; I205-L337 HydrophobicContact CG1-CB 4.21Å; I205-L337 HydrophobicContact CG1-CD1 4.24Å; I205-L337 HydrophobicContact CG2-CB 4.31Å; L206-L337 PolarHBondContact N-O 3.39Å; I310-L337 HydrophobicContact CB-CD2 3.73Å; I310-L337 HydrophobicContact CD1-CD2 3.94Å; I310-L337 HydrophobicContact CG1-CD2 4.08Å; I310-L337 HydrophobicContact CG2-CD2 4.38Å; A313-L337 HydrophobicContact CB-CB 3.84Å; A313-L337 HydrophobicContact CB-CD1 4.4Å; A313-L337 HydrophobicContact CB-CD2 3.83Å; A313-L337 HydrophobicContact CB-CG 4.24Å; I316-L337 HydrophobicContact CD1-CD1 3.8Å; I316-L337 HydrophobicContact CD1-CD2 3.49Å; I316-L337 VanDerWaalsContact CD1-CD2 3.49Å; I316-L337 HydrophobicContact CD1-CG 4.3Å; L337-L353 HydrophobicContact CD1-CD2 3.5Å; L337-L353 VanDerWaalsContact CD1-CD2 3.5Å; L337-F356 HydrophobicContact CD1-CD1 3.77Å; L337-F356 HydrophobicContact CD1-CE1 4.17Å; L337-F356 HydrophobicContact CD2-CD1 3.7Å; L337-F356 HydrophobicContact CD2-CE1 3.24Å; L337-F356 HydrophobicContact CD2-CZ 3.77Å; L337-F356 HydrophobicContact CG-CD1 3.81Å; L337-F356 HydrophobicContact CG-CE1 3.67Å
338	L	90.3	Very high	77.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.3	171	-42.5	176.3	0	0	0	108.2	L206 T218 W247 V309 I310 D311 E312 A313 L336	L206-L338 HydrophobicContact CB-CD2 3.74Å; L206-L338 HydrophobicContact CD2-CD2 4.09Å; L206-L338 HydrophobicContact CG-CD2 4.43Å; T218-L338 WeakPolarHBondContact OG1-CD2 3.4Å; W247-L338 HydrophobicContact CH2-CD1 3.68Å; W247-L338 HydrophobicContact CZ2-CD1 3.64Å; V309-L338 HydrophobicContact CG1-CD1 3.83Å; V309-L338 HydrophobicContact CG1-CG 4.1Å; I310-L338 PolarHBondContact O-N 3.01Å; D311-L338 HydrophobicContact CB-CD1 4.28Å; D311-L338 WeakPolarHBondContact OD1-CB 3.47Å; E312-L338 WeakPolarHBondContact CA-O 3.48Å; E312-L338 PolarHBondContact N-O 3.16Å; A313-L338 PolarHBondContact N-O 3.27Å; L336-L338 HydrophobicContact CD1-CD2 4.19Å; L336-L338 HydrophobicContact CD2-CD2 3.77Å; L336-L338 HydrophobicContact CG-CD2 3.73Å
339	T	83.1	Confident	76.8	Confident	6 Å²	6	26.9 Å²	26.9	4%	0.037	14%	0.135	C	C	.	.			trans	-156.7	140.5	-179.4	174.9	0	0	0	0	110.4	I205 L206 A207 T341 P342	I205-T339 HydrophobicContact CG2-CG2 3.88Å; L206-T339 PolarHBondContact O-N 3.16Å; A207-T339 VanDerWaalsContact CA-O 3.27Å; A207-T339 WeakPolarHBondContact CA-O 3.02Å; T339-T341 VanDerWaalsContact C-N 3.32Å; T339-T341 PolarHBondContact OG1-N 2.87Å; T339-T341 PolarHBondContact OG1-O 3.47Å; T339-P342 HydrophobicContact CG2-CB 4.01Å
340	G	67.3	Low	76.1	Confident	12 Å²	12	22.2 Å²	22.2	12%	0.124	11%	0.113	C	C	.	.	S	Bend	trans	-80.8	-15.4	168.6	0	0	0	0	0	113.3
341	T	63.3	Low	75.5	Confident	31 Å²	31	22.6 Å²	22.6	19%	0.19	11%	0.114	C	C	.	.	S	Bend	trans	-133.8	68.6	-167.5	53.1	0	0	0	0	110	K317 T339 L343 Q587	K317-T341 PolarHBondContact NZ-O 2.96Å; T339-T341 VanDerWaalsContact C-N 3.32Å; T339-T341 PolarHBondContact OG1-N 2.87Å; T339-T341 PolarHBondContact OG1-O 3.47Å; T341-L343 PolarHBondContact O-N 2.83Å; T341-Q587 HydrophobicContact CG2-CB 4.41Å; T341-Q587 HydrophobicContact CG2-CG 3.75Å
342	P	58.1	Low	75	Confident	4 Å²	4	17.7 Å²	17.7	3%	0.026	9%	0.093	C	C	.	.			trans	-61.2	-43.1	-158.5	23.1	-34.5	0	0	0	113.9	A207 T339 L395	A207-P342 HydrophobicContact CB-CB 3.66Å; A207-P342 HydrophobicContact CB-CG 3.83Å; T339-P342 HydrophobicContact CG2-CB 4.01Å; P342-L395 HydrophobicContact CB-CD1 3.99Å
343	L	54	Low	74.3	Confident	21 Å²	21	17.4 Å²	17.4	11%	0.11	9%	0.091	C	C	.	.			trans	-133.5	129.1	-169.7	-61.3	173.2	0	0	0	109.8	T341 L350 L353 L391 L395	T341-L343 PolarHBondContact O-N 2.83Å; L343-L350 HydrophobicContact CD1-CD2 4.46Å; L343-L350 HydrophobicContact CD2-CD2 3.7Å; L343-L353 HydrophobicContact CD2-CD1 3.6Å; L343-L391 HydrophobicContact CD1-CD1 4.45Å; L343-L391 HydrophobicContact CD2-CD1 4.28Å; L343-L395 HydrophobicContact CD1-CD1 4.1Å; L343-L395 HydrophobicContact CG-CD1 4.45Å
344	Q	54.6	Low	73.8	Confident	35 Å²	35	17.2 Å²	17.2	16%	0.164	9%	0.089	C	C	.	.			trans	-112.6	145.3	159.7	-68.4	-86.4	-54.7	0	0	105.4	N346 E349 D631 N646	Q344-N346 PolarHBondContact O-N 3.3Å; Q344-E349 WeakPolarHBondContact CB-OE2 3.43Å; Q344-D631 PolarHBondContact NE2-OD1 2.81Å; Q344-N646 PolarHBondContact OE1-ND2 3.11Å
345	N	59	Low	73.3	Confident	19 Å²	19	17.7 Å²	17.7	10%	0.102	9%	0.092	C	C	.	.	S	Bend	trans	-75.3	57.4	-162.1	-70.2	-41.9	0	0	0	114.2	V634 R639 L640 I641	N345-V634 WeakPolarHBondContact ND2-CG1 3.45Å; N345-V634 WeakPolarHBondContact ND2-CG2 3.34Å; N345-V634 WeakPolarHBondContact OD1-CG1 3.43Å; N345-R639 PolarHBondContact OD1-O 2.96Å; N345-L640 HydrophobicContact CB-CD2 4.4Å; N345-I641 HydrophobicContact CB-CB 4.4Å; N345-I641 WeakPolarHBondContact CB-O 3.45Å; N345-I641 VanDerWaalsContact CG-N 3.25Å; N345-I641 VanDerWaalsContact ND2-CB 3.27Å; N345-I641 WeakPolarHBondContact ND2-CB 3.43Å; N345-I641 WeakPolarHBondContact ND2-CG1 3.16Å; N345-I641 PolarHBondContact ND2-N 2.95Å
346	N	61.9	Low	72.7	Confident	35 Å²	35	17 Å²	17	19%	0.187	9%	0.09	C	C	.	.			trans	-119.2	126.3	176	-179.6	-27	0	0	0	110.1	Q344 H348 E349 L350 Q643	Q344-N346 PolarHBondContact O-N 3.3Å; N346-H348 VanDerWaalsContact C-N 3.31Å; N346-H348 PolarHBondContact O-N 3.38Å; N346-H348 WeakPolarHBondContact OD1-CB 3.13Å; N346-H348 PolarHBondContact OD1-N 3.16Å; N346-E349 HydrophobicContact CB-CB 3.98Å; N346-E349 HydrophobicContact CB-CG 3.73Å; N346-E349 WeakPolarHBondContact O-CB 3.34Å; N346-E349 PolarHBondContact O-N 3.46Å; N346-E349 VanDerWaalsContact O-N 3.08Å; N346-E349 PolarHBondContact OD1-N 2.8Å; N346-L350 PolarHBondContact O-N 3.19Å; N346-Q643 HydrophobicContact CB-CG 4.05Å; N346-Q643 PolarHBondContact ND2-NE2 3.39Å; N346-Q643 PolarHBondContact ND2-OE1 2.94Å
347	L	65.5	Low	72	Confident	57 Å²	57	17.1 Å²	17.1	30%	0.298	9%	0.09	S	C	.	.	H	α-helix	trans	-55.2	-42.6	177.7	-74.5	172.7	0	0	0	112.6	L350 W351 F372 V384 L387	L347-L350 WeakPolarHBondContact O-CB 3.37Å; L347-L350 PolarHBondContact O-N 3.03Å; L347-W351 WeakPolarHBondContact O-CB 3.32Å; L347-W351 PolarHBondContact O-N 3.21Å; L347-F372 HydrophobicContact CD1-CD1 4.22Å; L347-F372 HydrophobicContact CD1-CE1 4.05Å; L347-F372 HydrophobicContact CD2-CE1 3.75Å; L347-F372 HydrophobicContact CD2-CZ 3.94Å; L347-V384 HydrophobicContact CD2-CG2 3.47Å; L347-V384 VanDerWaalsContact CD2-CG2 3.47Å; L347-L387 HydrophobicContact CD2-CD1 4.18Å
348	H	73.3	Confident	71.3	Confident	72 Å²	72	17.2 Å²	17.2	33%	0.333	9%	0.091	S	C	.	.	H	α-helix	trans	-70.3	-32.5	176.3	-66.2	-74.2	0	0	0	112.3	E319 N346 W351 A352 D369	E319-H348 IonicContact OE1-ND1 2.7Å; E319-H348 IonicContact OE2-ND1 2.73Å; N346-H348 VanDerWaalsContact C-N 3.31Å; N346-H348 PolarHBondContact O-N 3.38Å; N346-H348 WeakPolarHBondContact OD1-CB 3.13Å; N346-H348 PolarHBondContact OD1-N 3.16Å; H348-W351 PolarHBondContact O-N 3.45Å; H348-A352 WeakPolarHBondContact O-CB 3.15Å; H348-A352 PolarHBondContact O-N 2.78Å; H348-D369 IonicContact CE1-OD1 2.91Å; H348-D369 PolarHBondContact CE1-OD1 3.15Å; H348-D369 VanDerWaalsContact CE1-OD1 3.26Å; H348-D369 IonicContact CE1-OD2 3.66Å; H348-D369 PolarHBondContact CE1-OD2 3.42Å; H348-D369 IonicContact ND1-OD1 2.9Å
349	E	72.3	Confident	70.5	Confident	29 Å²	29	19.2 Å²	19.2	14%	0.136	10%	0.104	C	C	.	.	H	α-helix	trans	-67.4	-41.9	172	-67.9	-174.2	-164.6	0	0	111.2	K317 Q344 N346 A352 L353 Q643	K317-E349 HydrophobicContact CB-CG 4Å; K317-E349 WeakPolarHBondContact CD-OE2 3.38Å; Q344-E349 WeakPolarHBondContact CB-OE2 3.43Å; N346-E349 HydrophobicContact CB-CB 3.98Å; N346-E349 HydrophobicContact CB-CG 3.73Å; N346-E349 WeakPolarHBondContact O-CB 3.34Å; N346-E349 PolarHBondContact O-N 3.46Å; N346-E349 VanDerWaalsContact O-N 3.08Å; N346-E349 PolarHBondContact OD1-N 2.8Å; E349-A352 PolarHBondContact O-N 2.7Å; E349-L353 VanDerWaalsContact O-CG 3.27Å; E349-L353 WeakPolarHBondContact O-CG 3.5Å; E349-L353 PolarHBondContact O-N 3.11Å; E349-Q643 PolarHBondContact OE1-NE2 3.09Å
350	L	71.4	Confident	70	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-45.7	174.5	-75.2	167	0	0	0	110.9	L343 N346 L347 L353 L354 V384 L391	L343-L350 HydrophobicContact CD1-CD2 4.46Å; L343-L350 HydrophobicContact CD2-CD2 3.7Å; N346-L350 PolarHBondContact O-N 3.19Å; L347-L350 WeakPolarHBondContact O-CB 3.37Å; L347-L350 PolarHBondContact O-N 3.03Å; L350-L353 PolarHBondContact O-N 3.13Å; L350-L354 WeakPolarHBondContact O-CB 3.42Å; L350-L354 VanDerWaalsContact O-CG 3.31Å; L350-L354 WeakPolarHBondContact O-CG 3.39Å; L350-L354 PolarHBondContact O-N 3.44Å; L350-V384 HydrophobicContact CD1-CG1 3.91Å; L350-L391 HydrophobicContact CD2-CD1 3.49Å; L350-L391 VanDerWaalsContact CD2-CD1 3.49Å
351	W	77.6	Confident	70.2	Confident	11 Å²	11	22.5 Å²	22.5	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-45.1	174.1	178.6	85.7	0	0	0	111.7	E319 R328 L347 H348 L353 L354 N355 S364 A365 F368	E319-W351 HydrophobicContact CB-CE3 4.35Å; E319-W351 HydrophobicContact CB-CZ3 3.88Å; E319-W351 HydrophobicContact CG-CZ3 4.39Å; E319-W351 VanDerWaalsContact OE2-CZ3 3.25Å; E319-W351 WeakPolarHBondContact OE2-CZ3 3.32Å; R328-W351 VanDerWaalsContact NH1-CZ3 3.25Å; L347-W351 WeakPolarHBondContact O-CB 3.32Å; L347-W351 PolarHBondContact O-N 3.21Å; H348-W351 PolarHBondContact O-N 3.45Å; W351-L353 PolarHBondContact O-N 3.08Å; W351-L354 CarbonylContact O-C 3.52Å; W351-L354 PolarHBondContact O-N 3.04Å; W351-L354 VanDerWaalsContact O-N 3.09Å; W351-N355 HydrophobicContact CD2-CB 4.32Å; W351-N355 HydrophobicContact CE3-CB 4.49Å; W351-N355 HydrophobicContact CH2-CB 4.25Å; W351-N355 HydrophobicContact CZ2-CB 4Å; W351-N355 HydrophobicContact CZ3-CB 4.49Å; W351-N355 VanDerWaalsContact O-CB 3.32Å; W351-N355 WeakPolarHBondContact O-CB 3.43Å; W351-N355 PolarHBondContact O-N 3.42Å; W351-S364 PolarHBondContact NE1-O 2.73Å; W351-A365 HydrophobicContact CD2-CB 4.25Å; W351-A365 HydrophobicContact CE3-CB 4.21Å; W351-A365 HydrophobicContact CH2-CB 3.79Å; W351-A365 HydrophobicContact CZ2-CB 3.87Å; W351-A365 HydrophobicContact CZ3-CB 3.96Å; W351-F368 HydrophobicContact CB-CD1 3.79Å; W351-F368 HydrophobicContact CB-CE1 3.67Å; W351-F368 HydrophobicContact CB-CG 4.34Å; W351-F368 HydrophobicContact CB-CZ 4.11Å; W351-F368 VanDerWaalsContact CD1-CB 3.46Å; W351-F368 AromaticContact CD1-CD1 3.6Å; W351-F368 AromaticContact CD1-CD2 3.56Å; W351-F368 AromaticContact CD1-CG 3.26Å; W351-F368 HydrophobicContact CG-CB 4.34Å; W351-F368 AromaticContact CG-CD1 3.89Å; W351-F368 HydrophobicContact CG-CD1 3.89Å; W351-F368 HydrophobicContact CG-CD2 4.49Å; W351-F368 HydrophobicContact CG-CE1 4.24Å; W351-F368 HydrophobicContact CG-CG 4.02Å; W351-F368 AromaticContact NE1-CG 3.99Å
352	A	76.9	Confident	70.7	Confident	2 Å²	2	21.7 Å²	21.7	2%	0.017	11%	0.113	C	C	.	.	H	α-helix	trans	-58.7	-40.6	179.5	0	0	0	0	0	111.4	E319 H348 E349 F356	E319-A352 HydrophobicContact CB-CB 4.06Å; H348-A352 WeakPolarHBondContact O-CB 3.15Å; H348-A352 PolarHBondContact O-N 2.78Å; E349-A352 PolarHBondContact O-N 2.7Å; A352-F356 VanDerWaalsContact O-CB 3.25Å; A352-F356 WeakPolarHBondContact O-CB 3.42Å; A352-F356 PolarHBondContact O-N 3.49Å
353	L	76.4	Confident	71.5	Confident	7 Å²	7	26.3 Å²	26.3	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-68.3	-44.8	173.5	-68.4	170.9	0	0	0	111.9	I316 L337 L343 E349 L350 W351 F356 L357	I316-L353 HydrophobicContact CD1-CD2 4.31Å; L337-L353 HydrophobicContact CD1-CD2 3.5Å; L337-L353 VanDerWaalsContact CD1-CD2 3.5Å; L343-L353 HydrophobicContact CD2-CD1 3.6Å; E349-L353 VanDerWaalsContact O-CG 3.27Å; E349-L353 WeakPolarHBondContact O-CG 3.5Å; E349-L353 PolarHBondContact O-N 3.11Å; L350-L353 PolarHBondContact O-N 3.13Å; W351-L353 PolarHBondContact O-N 3.08Å; L353-F356 WeakPolarHBondContact O-CB 3.33Å; L353-F356 PolarHBondContact O-N 3.3Å; L353-L357 VanDerWaalsContact O-CG 3.3Å; L353-L357 WeakPolarHBondContact O-CG 3.27Å; L353-L357 PolarHBondContact O-N 3.32Å
354	L	76.9	Confident	72.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-43.9	178.4	-79.3	169.8	0	0	0	112.4	L350 W351 F356 L357 L358 F362 L387 V390 L391	L350-L354 WeakPolarHBondContact O-CB 3.42Å; L350-L354 VanDerWaalsContact O-CG 3.31Å; L350-L354 WeakPolarHBondContact O-CG 3.39Å; L350-L354 PolarHBondContact O-N 3.44Å; W351-L354 CarbonylContact O-C 3.52Å; W351-L354 PolarHBondContact O-N 3.04Å; W351-L354 VanDerWaalsContact O-N 3.09Å; L354-F356 VanDerWaalsContact C-N 3.31Å; L354-F356 PolarHBondContact O-N 3.39Å; L354-L357 PolarHBondContact O-N 2.74Å; L354-L358 CarbonylContact O-C 3.14Å; L354-L358 WeakPolarHBondContact O-CA 3.44Å; L354-L358 WeakPolarHBondContact O-CB 3.24Å; L354-L358 PolarHBondContact O-N 3.1Å; L354-F362 HydrophobicContact CB-CD2 3.87Å; L354-F362 HydrophobicContact CB-CE2 4.13Å; L354-F362 HydrophobicContact CB-CG 4.08Å; L354-F362 HydrophobicContact CD1-CE1 4.3Å; L354-F362 HydrophobicContact CD1-CE2 4.45Å; L354-F362 HydrophobicContact CD1-CZ 4.16Å; L354-F362 HydrophobicContact CD2-CE2 4.01Å; L354-F362 HydrophobicContact CD2-CZ 4.38Å; L354-F362 HydrophobicContact CG-CE2 4.44Å; L354-L387 HydrophobicContact CD1-CD2 4.07Å; L354-V390 HydrophobicContact CD2-CG1 4.23Å; L354-L391 HydrophobicContact CD2-CD2 3.4Å; L354-L391 VanDerWaalsContact CD2-CD2 3.4Å; L354-L391 HydrophobicContact CD2-CG 3.85Å; L354-L391 HydrophobicContact CG-CD2 3.93Å; L354-L391 HydrophobicContact CG-CG 4.27Å
355	N	79.3	Confident	73.4	Confident	10 Å²	10	26 Å²	26	5%	0.053	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-41.9	171.2	171.8	-90.4	0	0	0	110.9	R328 W351 L357 L358 P359 F362	R328-N355 PolarHBondContact NE-OD1 3.31Å; R328-N355 PolarHBondContact NH1-OD1 3.15Å; W351-N355 HydrophobicContact CD2-CB 4.32Å; W351-N355 HydrophobicContact CE3-CB 4.49Å; W351-N355 HydrophobicContact CH2-CB 4.25Å; W351-N355 HydrophobicContact CZ2-CB 4Å; W351-N355 HydrophobicContact CZ3-CB 4.49Å; W351-N355 VanDerWaalsContact O-CB 3.32Å; W351-N355 WeakPolarHBondContact O-CB 3.43Å; W351-N355 PolarHBondContact O-N 3.42Å; N355-L357 VanDerWaalsContact C-N 3.34Å; N355-L357 PolarHBondContact O-N 2.76Å; N355-L358 CarbonylContact O-C 3.31Å; N355-P359 WeakPolarHBondContact O-CA 3.38Å; N355-P359 WeakPolarHBondContact O-CB 3.33Å; N355-P359 VanDerWaalsContact O-CD 3.23Å; N355-P359 WeakPolarHBondContact O-CD 3.48Å; N355-F362 HydrophobicContact CB-CB 4.32Å; N355-F362 WeakPolarHBondContact CB-O 3.26Å; N355-F362 PolarHBondContact ND2-O 2.91Å
356	F	79.6	Confident	74.2	Confident	5 Å²	5	31 Å²	31	2%	0.022	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-42.1	178.7	-176.9	-89.4	0	0	0	112.1	L308 I310 I316 V327 R335 L337 A352 L353 L354	L308-F356 HydrophobicContact CD2-CZ 4.02Å; I310-F356 HydrophobicContact CD1-CE1 4.29Å; I310-F356 HydrophobicContact CD1-CE2 3.54Å; I310-F356 HydrophobicContact CD1-CZ 3.33Å; I310-F356 HydrophobicContact CG1-CZ 4.07Å; I316-F356 HydrophobicContact CD1-CD1 4.35Å; I316-F356 HydrophobicContact CD1-CD2 4.11Å; I316-F356 HydrophobicContact CD1-CE2 4.4Å; I316-F356 HydrophobicContact CD1-CG 4.08Å; V327-F356 HydrophobicContact CG1-CE2 3.77Å; V327-F356 HydrophobicContact CG1-CZ 4.48Å; R335-F356 HydrophobicContact CB-CE1 3.7Å; R335-F356 HydrophobicContact CB-CZ 4.1Å; R335-F356 VanDerWaalsContact CD-O 3.3Å; R335-F356 WeakPolarHBondContact CD-O 3.42Å; R335-F356 HydrophobicContact CG-CE1 4.32Å; R335-F356 HydrophobicContact CG-CZ 4.31Å; R335-F356 PolarHBondContact NH1-O 3.41Å; R335-F356 VanDerWaalsContact NH1-O 3.1Å; L337-F356 HydrophobicContact CD1-CD1 3.77Å; L337-F356 HydrophobicContact CD1-CE1 4.17Å; L337-F356 HydrophobicContact CD2-CD1 3.7Å; L337-F356 HydrophobicContact CD2-CE1 3.24Å; L337-F356 HydrophobicContact CD2-CZ 3.77Å; L337-F356 HydrophobicContact CG-CD1 3.81Å; L337-F356 HydrophobicContact CG-CE1 3.67Å; A352-F356 VanDerWaalsContact O-CB 3.25Å; A352-F356 WeakPolarHBondContact O-CB 3.42Å; A352-F356 PolarHBondContact O-N 3.49Å; L353-F356 WeakPolarHBondContact O-CB 3.33Å; L353-F356 PolarHBondContact O-N 3.3Å; L354-F356 VanDerWaalsContact C-N 3.31Å; L354-F356 PolarHBondContact O-N 3.39Å
357	L	78.7	Confident	74.7	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-77	-35.3	178.2	-66.8	175.5	0	0	0	113.2	N203 I205 L353 L354 N355 L391 F394	N203-L357 HydrophobicContact CB-CB 4.21Å; N203-L357 HydrophobicContact CB-CD2 3.64Å; N203-L357 WeakPolarHBondContact CB-O 3.27Å; N203-L357 PolarHBondContact ND2-O 3.45Å; I205-L357 HydrophobicContact CD1-CD1 3.8Å; I205-L357 HydrophobicContact CG1-CD1 3.86Å; I205-L357 HydrophobicContact CG1-CD2 4.1Å; I205-L357 HydrophobicContact CG1-CG 4.45Å; L353-L357 VanDerWaalsContact O-CG 3.3Å; L353-L357 WeakPolarHBondContact O-CG 3.27Å; L353-L357 PolarHBondContact O-N 3.32Å; L354-L357 PolarHBondContact O-N 2.74Å; N355-L357 VanDerWaalsContact C-N 3.34Å; N355-L357 PolarHBondContact O-N 2.76Å; L357-L391 HydrophobicContact CD1-CD2 4.09Å; L357-F394 HydrophobicContact CD1-CB 4.28Å; L357-F394 HydrophobicContact CD1-CD2 4.5Å
358	L	78.7	Confident	74.9	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.016	17%	0.17	C	C	.	.			trans	-138.7	66	-173.1	-65.6	174.2	0	0	0	110	R94 L98 F105 L354 N355 D360 V361 F362 F394	R94-L358 HydrophobicContact CG-CD2 4.3Å; L98-L358 HydrophobicContact CD1-CD1 4.18Å; L98-L358 HydrophobicContact CD1-CD2 4.07Å; F105-L358 HydrophobicContact CE1-CD1 4.37Å; L354-L358 CarbonylContact O-C 3.14Å; L354-L358 WeakPolarHBondContact O-CA 3.44Å; L354-L358 WeakPolarHBondContact O-CB 3.24Å; L354-L358 PolarHBondContact O-N 3.1Å; N355-L358 CarbonylContact O-C 3.31Å; L358-D360 PolarHBondContact O-N 3.09Å; L358-D360 VanDerWaalsContact O-N 3.14Å; L358-V361 HydrophobicContact CB-CB 4.35Å; L358-V361 HydrophobicContact CB-CG2 4.5Å; L358-V361 PolarHBondContact O-N 2.81Å; L358-V361 VanDerWaalsContact O-N 3.09Å; L358-F362 HydrophobicContact CB-CD2 4.03Å; L358-F362 HydrophobicContact CB-CE2 4.46Å; L358-F362 HydrophobicContact CD1-CE2 4.21Å; L358-F362 PolarHBondContact O-N 3.38Å; L358-F394 HydrophobicContact CD1-CE2 4.15Å; L358-F394 HydrophobicContact CD1-CZ 4.2Å
359	P	72.7	Confident	74.7	Confident	43 Å²	43	30 Å²	30	28%	0.279	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.1	-176.7	24.5	-33.4	0	0	0	112.1	N355 V361 N363	N355-P359 WeakPolarHBondContact O-CA 3.38Å; N355-P359 WeakPolarHBondContact O-CB 3.33Å; N355-P359 VanDerWaalsContact O-CD 3.23Å; N355-P359 WeakPolarHBondContact O-CD 3.48Å; P359-V361 VanDerWaalsContact C-N 3.34Å; P359-N363 WeakPolarHBondContact O-CB 3.44Å
360	D	73.3	Confident	74.5	Confident	59 Å²	59	31.3 Å²	31.3	32%	0.316	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.9	177.7	-66	-27.6	0	0	0	113.5	R91 R94 L358	R91-D360 IonicContact CZ-OD1 2.76Å; R91-D360 IonicContact CZ-OD2 3.79Å; R91-D360 IonicContact NE-OD1 2.88Å; R91-D360 IonicContact NE-OD2 2.71Å; R91-D360 PolarHBondContact NE-OD2 2.76Å; R91-D360 IonicContact NH2-OD1 2.68Å; R91-D360 PolarHBondContact NH2-OD1 2.64Å; R91-D360 IonicContact NH2-OD2 3.71Å; R91-D360 PolarHBondContact NH2-OD2 2.93Å; R94-D360 IonicContact NH1-OD2 3.75Å; R94-D360 PolarHBondContact NH1-OD2 3.45Å; L358-D360 PolarHBondContact O-N 3.09Å; L358-D360 VanDerWaalsContact O-N 3.14Å
361	V	71.5	Confident	74.1	Confident	28 Å²	28	35.6 Å²	35.6	17%	0.17	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-40.7	-175.5	-179.1	0	0	0	0	110.7	L358 P359	L358-V361 HydrophobicContact CB-CB 4.35Å; L358-V361 HydrophobicContact CB-CG2 4.5Å; L358-V361 PolarHBondContact O-N 2.81Å; L358-V361 VanDerWaalsContact O-N 3.09Å; P359-V361 VanDerWaalsContact C-N 3.34Å
362	F	74.1	Confident	73.2	Confident	13 Å²	13	37 Å²	37	6%	0.057	20%	0.201	C	C	.	.	S	Bend	trans	-111.4	55.3	-174.1	-63.2	-80.6	0	0	0	111.3	L354 N355 L358 F368	L354-F362 HydrophobicContact CB-CD2 3.87Å; L354-F362 HydrophobicContact CB-CE2 4.13Å; L354-F362 HydrophobicContact CB-CG 4.08Å; L354-F362 HydrophobicContact CD1-CE1 4.3Å; L354-F362 HydrophobicContact CD1-CE2 4.45Å; L354-F362 HydrophobicContact CD1-CZ 4.16Å; L354-F362 HydrophobicContact CD2-CE2 4.01Å; L354-F362 HydrophobicContact CD2-CZ 4.38Å; L354-F362 HydrophobicContact CG-CE2 4.44Å; N355-F362 HydrophobicContact CB-CB 4.32Å; N355-F362 WeakPolarHBondContact CB-O 3.26Å; N355-F362 PolarHBondContact ND2-O 2.91Å; L358-F362 HydrophobicContact CB-CD2 4.03Å; L358-F362 HydrophobicContact CB-CE2 4.46Å; L358-F362 HydrophobicContact CD1-CE2 4.21Å; L358-F362 PolarHBondContact O-N 3.38Å; F362-F368 HydrophobicContact CD1-CD2 4.21Å; F362-F368 HydrophobicContact CD1-CE2 4.38Å; F362-F368 HydrophobicContact CE1-CD2 4.44Å; F362-F368 HydrophobicContact CE1-CE2 4.29Å
363	N	74.9	Confident	72.3	Confident	101 Å²	101	43.1 Å²	43.1	54%	0.54	23%	0.233	S	C	.	.			trans	-77.3	-20.9	-170.4	62.7	-9.9	0	0	0	115.5	P359	P359-N363 WeakPolarHBondContact O-CB 3.44Å
364	S	74.6	Confident	71.1	Confident	30 Å²	30	47.7 Å²	47.7	21%	0.21	26%	0.262	C	S	.	.			trans	-130.8	131.4	-174.8	172.6	0	0	0	0	111	W351 D366 D367 F368	W351-S364 PolarHBondContact NE1-O 2.73Å; S364-D366 PolarHBondContact OG-N 3.46Å; S364-D367 WeakPolarHBondContact CB-OD2 3.29Å; S364-D367 PolarHBondContact OG-N 3.03Å; S364-D367 VanDerWaalsContact OG-N 3.12Å; S364-F368 PolarHBondContact O-N 3.41Å
365	A	73	Confident	69.5	Low	19 Å²	19	56.5 Å²	56.5	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-71.4	-38.8	173.5	0	0	0	0	0	109.9	W351 D367 F368 D369	W351-A365 HydrophobicContact CD2-CB 4.25Å; W351-A365 HydrophobicContact CE3-CB 4.21Å; W351-A365 HydrophobicContact CH2-CB 3.79Å; W351-A365 HydrophobicContact CZ2-CB 3.87Å; W351-A365 HydrophobicContact CZ3-CB 3.96Å; A365-D367 VanDerWaalsContact C-N 3.35Å; A365-D367 PolarHBondContact O-N 2.76Å; A365-F368 CarbonylContact O-C 3.57Å; A365-F368 WeakPolarHBondContact O-CA 3.46Å; A365-F368 VanDerWaalsContact O-CB 3.27Å; A365-F368 WeakPolarHBondContact O-CB 2.93Å; A365-F368 PolarHBondContact O-N 3.2Å; A365-D369 WeakPolarHBondContact O-CB 3.48Å; A365-D369 PolarHBondContact O-N 3.22Å
366	D	74.9	Confident	68	Low	125 Å²	125	63.8 Å²	63.8	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-65.6	-36.2	177.6	-57.3	-34.8	0	0	0	112.1	S364 F368 D369 S370	S364-D366 PolarHBondContact OG-N 3.46Å; D366-F368 VanDerWaalsContact C-N 3.27Å; D366-D369 PolarHBondContact O-N 3.23Å; D366-S370 WeakPolarHBondContact O-CB 3.38Å; D366-S370 PolarHBondContact O-N 3.11Å; D366-S370 PolarHBondContact O-OG 3.47Å
367	D	72.1	Confident	66.3	Low	84 Å²	84	66.8 Å²	66.8	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-68.1	-33.3	173.5	-73.4	-35.8	0	0	0	111	S364 A365 S370 W371	S364-D367 WeakPolarHBondContact CB-OD2 3.29Å; S364-D367 PolarHBondContact OG-N 3.03Å; S364-D367 VanDerWaalsContact OG-N 3.12Å; A365-D367 VanDerWaalsContact C-N 3.35Å; A365-D367 PolarHBondContact O-N 2.76Å; D367-S370 WeakPolarHBondContact CA-OG 3.48Å; D367-S370 PolarHBondContact O-OG 3Å; D367-W371 PolarHBondContact O-N 3.04Å
368	F	70.5	Confident	64.6	Low	13 Å²	13	75 Å²	75	6%	0.057	40%	0.403	C	S	.	.	H	α-helix	trans	-67.7	-53.7	173.3	-171.1	-107.4	0	0	0	110	W351 F362 S364 A365 D366 S370 W371 F372 L387	W351-F368 HydrophobicContact CB-CD1 3.79Å; W351-F368 HydrophobicContact CB-CE1 3.67Å; W351-F368 HydrophobicContact CB-CG 4.34Å; W351-F368 HydrophobicContact CB-CZ 4.11Å; W351-F368 VanDerWaalsContact CD1-CB 3.46Å; W351-F368 AromaticContact CD1-CD1 3.6Å; W351-F368 AromaticContact CD1-CD2 3.56Å; W351-F368 AromaticContact CD1-CG 3.26Å; W351-F368 HydrophobicContact CG-CB 4.34Å; W351-F368 AromaticContact CG-CD1 3.89Å; W351-F368 HydrophobicContact CG-CD1 3.89Å; W351-F368 HydrophobicContact CG-CD2 4.49Å; W351-F368 HydrophobicContact CG-CE1 4.24Å; W351-F368 HydrophobicContact CG-CG 4.02Å; W351-F368 AromaticContact NE1-CG 3.99Å; F362-F368 HydrophobicContact CD1-CD2 4.21Å; F362-F368 HydrophobicContact CD1-CE2 4.38Å; F362-F368 HydrophobicContact CE1-CD2 4.44Å; F362-F368 HydrophobicContact CE1-CE2 4.29Å; S364-F368 PolarHBondContact O-N 3.41Å; A365-F368 CarbonylContact O-C 3.57Å; A365-F368 WeakPolarHBondContact O-CA 3.46Å; A365-F368 VanDerWaalsContact O-CB 3.27Å; A365-F368 WeakPolarHBondContact O-CB 2.93Å; A365-F368 PolarHBondContact O-N 3.2Å; D366-F368 VanDerWaalsContact C-N 3.27Å; F368-S370 PolarHBondContact O-N 3.02Å; F368-W371 WeakPolarHBondContact O-CA 3.41Å; F368-W371 WeakPolarHBondContact O-CB 3.42Å; F368-W371 PolarHBondContact O-N 3Å; F368-F372 HydrophobicContact CD1-CD2 4.14Å; F368-F372 AromaticContact CD1-CE2 3.38Å; F368-F372 HydrophobicContact CD1-CE2 3.38Å; F368-F372 HydrophobicContact CD1-CZ 4.2Å; F368-F372 AromaticContact CD2-CE2 3.98Å; F368-F372 HydrophobicContact CD2-CE2 3.98Å; F368-F372 HydrophobicContact CE1-CD2 4.25Å; F368-F372 AromaticContact CE1-CE2 3.2Å; F368-F372 HydrophobicContact CE1-CE2 3.2Å; F368-F372 AromaticContact CE1-CZ 3.54Å; F368-F372 HydrophobicContact CE1-CZ 3.54Å; F368-F372 AromaticContact CE2-CE2 3.83Å; F368-F372 HydrophobicContact CE2-CE2 3.83Å; F368-F372 HydrophobicContact CE2-CZ 4.06Å; F368-F372 AromaticContact CG-CE2 3.78Å; F368-F372 HydrophobicContact CG-CE2 3.78Å; F368-F372 AromaticContact CZ-CE2 3.45Å; F368-F372 HydrophobicContact CZ-CE2 3.45Å; F368-F372 VanDerWaalsContact CZ-CE2 3.45Å; F368-F372 AromaticContact CZ-CZ 3.47Å; F368-F372 HydrophobicContact CZ-CZ 3.47Å; F368-F372 VanDerWaalsContact CZ-CZ 3.47Å; F368-F372 WeakPolarHBondContact O-CD2 3.43Å; F368-F372 WeakPolarHBondContact O-CE2 3.41Å; F368-F372 PolarHBondContact O-N 3.34Å; F368-L387 HydrophobicContact CE2-CD1 4.45Å; F368-L387 HydrophobicContact CE2-CD2 4.18Å; F368-L387 HydrophobicContact CZ-CD1 3.86Å; F368-L387 HydrophobicContact CZ-CD2 4.35Å
369	D	69.8	Low	63.3	Low	47 Å²	47	78.1 Å²	78.1	25%	0.251	44%	0.436	S	S	.	.	H	α-helix	trans	-61.1	-43.3	-179.9	-68.9	-17.3	0	0	0	112.7	H348 A365 D366 W371 F372 D373	H348-D369 IonicContact CE1-OD1 2.91Å; H348-D369 PolarHBondContact CE1-OD1 3.15Å; H348-D369 VanDerWaalsContact CE1-OD1 3.26Å; H348-D369 IonicContact CE1-OD2 3.66Å; H348-D369 PolarHBondContact CE1-OD2 3.42Å; H348-D369 IonicContact ND1-OD1 2.9Å; A365-D369 WeakPolarHBondContact O-CB 3.48Å; A365-D369 PolarHBondContact O-N 3.22Å; D366-D369 PolarHBondContact O-N 3.23Å; D369-W371 PolarHBondContact O-N 3.3Å; D369-F372 CarbonylContact O-C 3.52Å; D369-F372 WeakPolarHBondContact O-CA 3.5Å; D369-F372 WeakPolarHBondContact O-CB 3.32Å; D369-F372 PolarHBondContact O-N 3.1Å; D369-D373 PolarHBondContact O-N 3.15Å
370	S	68.1	Low	62.4	Low	55 Å²	55	79.4 Å²	79.4	39%	0.385	44%	0.44	S	S	.	.	H	α-helix	trans	-61.8	-27.1	175.8	61.1	0	0	0	0	112.7	D366 D367 F368 F372 T374	D366-S370 WeakPolarHBondContact O-CB 3.38Å; D366-S370 PolarHBondContact O-N 3.11Å; D366-S370 PolarHBondContact O-OG 3.47Å; D367-S370 WeakPolarHBondContact CA-OG 3.48Å; D367-S370 PolarHBondContact O-OG 3Å; F368-S370 PolarHBondContact O-N 3.02Å; S370-F372 VanDerWaalsContact C-N 3.31Å; S370-T374 PolarHBondContact O-N 3.31Å; S370-T374 PolarHBondContact O-OG1 3.24Å
371	W	62.2	Low	61.6	Low	92 Å²	92	80.7 Å²	80.7	35%	0.348	44%	0.444	S	S	.	.	H	α-helix	trans	-69.1	-28.9	171.1	-154.1	74.2	0	0	0	112.1	H107 F108 D367 F368 D369 L383	H107-W371 AromaticContact CE1-CZ2 3.62Å; H107-W371 AromaticContact ND1-CZ2 3.6Å; F108-W371 HydrophobicContact CD1-CH2 4.28Å; F108-W371 HydrophobicContact CD1-CZ2 4.41Å; F108-W371 HydrophobicContact CE1-CE3 4.17Å; F108-W371 AromaticContact CE1-CH2 3.4Å; F108-W371 HydrophobicContact CE1-CH2 3.4Å; F108-W371 VanDerWaalsContact CE1-CH2 3.4Å; F108-W371 AromaticContact CE1-CZ2 3.95Å; F108-W371 HydrophobicContact CE1-CZ2 3.95Å; F108-W371 AromaticContact CE1-CZ3 3.52Å; F108-W371 HydrophobicContact CE1-CZ3 3.52Å; F108-W371 AromaticContact CZ-CH2 3.72Å; F108-W371 HydrophobicContact CZ-CH2 3.72Å; F108-W371 AromaticContact CZ-CZ3 3.96Å; F108-W371 HydrophobicContact CZ-CZ3 3.96Å; D367-W371 PolarHBondContact O-N 3.04Å; F368-W371 WeakPolarHBondContact O-CA 3.41Å; F368-W371 WeakPolarHBondContact O-CB 3.42Å; F368-W371 PolarHBondContact O-N 3Å; D369-W371 PolarHBondContact O-N 3.3Å; W371-L383 HydrophobicContact CE3-CD2 4.26Å; W371-L383 HydrophobicContact CH2-CD1 3.75Å; W371-L383 HydrophobicContact CZ3-CD1 3.44Å; W371-L383 VanDerWaalsContact CZ3-CD1 3.44Å; W371-L383 HydrophobicContact CZ3-CD2 3.82Å; W371-L383 HydrophobicContact CZ3-CG 4.09Å
372	F	58.8	Low	61	Low	40 Å²	40	85.6 Å²	85.6	18%	0.175	46%	0.463	C	S	.	.	H	α-helix	trans	-83.1	-36.2	171.4	-64.3	-92.8	0	0	0	113.2	L347 F368 D369 S370 T374 L383 L387	L347-F372 HydrophobicContact CD1-CD1 4.22Å; L347-F372 HydrophobicContact CD1-CE1 4.05Å; L347-F372 HydrophobicContact CD2-CE1 3.75Å; L347-F372 HydrophobicContact CD2-CZ 3.94Å; F368-F372 HydrophobicContact CD1-CD2 4.14Å; F368-F372 AromaticContact CD1-CE2 3.38Å; F368-F372 HydrophobicContact CD1-CE2 3.38Å; F368-F372 HydrophobicContact CD1-CZ 4.2Å; F368-F372 AromaticContact CD2-CE2 3.98Å; F368-F372 HydrophobicContact CD2-CE2 3.98Å; F368-F372 HydrophobicContact CE1-CD2 4.25Å; F368-F372 AromaticContact CE1-CE2 3.2Å; F368-F372 HydrophobicContact CE1-CE2 3.2Å; F368-F372 AromaticContact CE1-CZ 3.54Å; F368-F372 HydrophobicContact CE1-CZ 3.54Å; F368-F372 AromaticContact CE2-CE2 3.83Å; F368-F372 HydrophobicContact CE2-CE2 3.83Å; F368-F372 HydrophobicContact CE2-CZ 4.06Å; F368-F372 AromaticContact CG-CE2 3.78Å; F368-F372 HydrophobicContact CG-CE2 3.78Å; F368-F372 AromaticContact CZ-CE2 3.45Å; F368-F372 HydrophobicContact CZ-CE2 3.45Å; F368-F372 VanDerWaalsContact CZ-CE2 3.45Å; F368-F372 AromaticContact CZ-CZ 3.47Å; F368-F372 HydrophobicContact CZ-CZ 3.47Å; F368-F372 VanDerWaalsContact CZ-CZ 3.47Å; F368-F372 WeakPolarHBondContact O-CD2 3.43Å; F368-F372 WeakPolarHBondContact O-CE2 3.41Å; F368-F372 PolarHBondContact O-N 3.34Å; D369-F372 CarbonylContact O-C 3.52Å; D369-F372 WeakPolarHBondContact O-CA 3.5Å; D369-F372 WeakPolarHBondContact O-CB 3.32Å; D369-F372 PolarHBondContact O-N 3.1Å; S370-F372 VanDerWaalsContact C-N 3.31Å; F372-T374 PolarHBondContact O-N 3.16Å; F372-L383 HydrophobicContact CD1-CD2 3.72Å; F372-L383 HydrophobicContact CE1-CD2 3.41Å; F372-L383 VanDerWaalsContact CE1-CD2 3.41Å; F372-L383 HydrophobicContact CE1-CG 4.34Å; F372-L383 HydrophobicContact CZ-CD2 4.14Å; F372-L387 HydrophobicContact CZ-CD1 4.06Å
373	D	58.8	Low	60.3	Low	131 Å²	131	85.9 Å²	85.9	70%	0.701	47%	0.465	S	S	*	.	H	α-helix	trans	-72.5	-13.9	-177.8	-92.8	-9.8	0	0	0	113.3	D369 K375	D369-D373 PolarHBondContact O-N 3.15Å; D373-K375 PolarHBondContact O-N 3.46Å
374	T	51.2	Low	59.7	Low	103 Å²	103	81.3 Å²	81.3	63%	0.632	44%	0.441	S	S	*	.	S	Bend	trans	-72.5	80	179.7	-54.2	0	0	0	0	111	S370 F372	S370-T374 PolarHBondContact O-N 3.31Å; S370-T374 PolarHBondContact O-OG1 3.24Å; F372-T374 PolarHBondContact O-N 3.16Å
375	K	42.9	Very low	59.1	Low	184 Å²	184	82.9 Å²	82.9	80%	0.8	45%	0.445	S	S	*	.	S	Bend	trans	51.6	98.2	156.2	-60.6	-177.6	179.4	-179.8	0	116	D373	D373-K375 PolarHBondContact O-N 3.46Å
376	N	47.8	Very low	58.7	Low	163 Å²	163	88 Å²	88	87%	0.872	46%	0.46	S	S	*	.	S	Bend	trans	88.4	16.1	161.8	-63.7	-11.4	0	0	0	120.5
377	C	43.5	Very low	58.3	Low	69 Å²	69	82 Å²	82	47%	0.466	43%	0.428	S	S	.	.			trans	-108.9	25.2	174.8	-74.8	0	0	0	0	115	G379 D380	C377-G379 PolarHBondContact O-N 3.48Å; C377-D380 HydrophobicContact CB-CB 4.31Å; C377-D380 PolarHBondContact O-N 3.04Å
378	L	43.9	Very low	58.1	Low	173 Å²	173	79 Å²	79	91%	0.906	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	18.9	-178.2	-86.8	155.8	0	0	0	116.1
379	G	51.6	Low	57.9	Low	69 Å²	69	80.2 Å²	80.2	71%	0.711	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159.3	15.5	177.2	0	0	0	0	0	114.4	C377 Q381	C377-G379 PolarHBondContact O-N 3.48Å; G379-Q381 PolarHBondContact O-N 3.42Å
380	D	53.3	Low	57.9	Low	70 Å²	70	78 Å²	78	37%	0.374	41%	0.412	S	S	.	.			trans	-81.6	82.9	-167.4	-138.9	8.9	0	0	0	110.3	C377 K382 L383	C377-D380 HydrophobicContact CB-CB 4.31Å; C377-D380 PolarHBondContact O-N 3.04Å; D380-K382 PolarHBondContact O-N 2.78Å; D380-L383 HydrophobicContact CB-CB 4.49Å; D380-L383 PolarHBondContact O-N 3.21Å
381	Q	56.8	Low	58	Low	85 Å²	85	75.4 Å²	75.4	40%	0.397	39%	0.394	S	S	.	.	H	α-helix	trans	-42.2	-32.9	167.9	-96	172.8	-1.3	0	0	112	G379 L383 V384 E385 L640	G379-Q381 PolarHBondContact O-N 3.42Å; Q381-L383 VanDerWaalsContact C-N 3.34Å; Q381-L383 PolarHBondContact O-N 2.73Å; Q381-V384 PolarHBondContact O-N 2.62Å; Q381-E385 WeakPolarHBondContact O-CB 3.35Å; Q381-E385 VanDerWaalsContact O-CG 3.29Å; Q381-E385 WeakPolarHBondContact O-CG 3.27Å; Q381-E385 PolarHBondContact O-N 2.89Å; Q381-L640 HydrophobicContact CG-CD1 4.24Å
382	K	58.9	Low	58.5	Low	131 Å²	131	78.8 Å²	78.8	57%	0.57	41%	0.411	S	S	*	.	H	α-helix	trans	-57.3	-38.1	174.7	-68.7	179.9	179.2	173.4	0	114	D380 R386	D380-K382 PolarHBondContact O-N 2.78Å; K382-R386 VanDerWaalsContact O-CG 3.24Å; K382-R386 WeakPolarHBondContact O-CG 3.37Å; K382-R386 PolarHBondContact O-N 3.25Å
383	L	59.4	Low	59.3	Low	20 Å²	20	78 Å²	78	11%	0.105	41%	0.41	C	S	.	.	H	α-helix	trans	-73.7	-37.1	-177.6	-169.2	66.6	0	0	0	111.6	W371 F372 D380 Q381 R386 L387	W371-L383 HydrophobicContact CE3-CD2 4.26Å; W371-L383 HydrophobicContact CH2-CD1 3.75Å; W371-L383 HydrophobicContact CZ3-CD1 3.44Å; W371-L383 VanDerWaalsContact CZ3-CD1 3.44Å; W371-L383 HydrophobicContact CZ3-CD2 3.82Å; W371-L383 HydrophobicContact CZ3-CG 4.09Å; F372-L383 HydrophobicContact CD1-CD2 3.72Å; F372-L383 HydrophobicContact CE1-CD2 3.41Å; F372-L383 VanDerWaalsContact CE1-CD2 3.41Å; F372-L383 HydrophobicContact CE1-CG 4.34Å; F372-L383 HydrophobicContact CZ-CD2 4.14Å; D380-L383 HydrophobicContact CB-CB 4.49Å; D380-L383 PolarHBondContact O-N 3.21Å; Q381-L383 VanDerWaalsContact C-N 3.34Å; Q381-L383 PolarHBondContact O-N 2.73Å; L383-R386 CarbonylContact O-C 3.5Å; L383-R386 WeakPolarHBondContact O-CA 3.47Å; L383-R386 VanDerWaalsContact O-CB 3.31Å; L383-R386 WeakPolarHBondContact O-CB 3.36Å; L383-R386 PolarHBondContact O-N 2.94Å; L383-L387 WeakPolarHBondContact O-CG 3.34Å; L383-L387 PolarHBondContact O-N 2.89Å
384	V	61	Low	60.3	Low	5 Å²	5	71.9 Å²	71.9	3%	0.03	38%	0.377	C	S	.	.	H	α-helix	trans	-73.9	-36	174.3	-178.6	0	0	0	0	111.3	L347 L350 Q381 R386 L387 H388 L640	L347-V384 HydrophobicContact CD2-CG2 3.47Å; L347-V384 VanDerWaalsContact CD2-CG2 3.47Å; L350-V384 HydrophobicContact CD1-CG1 3.91Å; Q381-V384 PolarHBondContact O-N 2.62Å; V384-R386 PolarHBondContact O-N 3.37Å; V384-L387 PolarHBondContact O-N 2.83Å; V384-L387 VanDerWaalsContact O-N 3.11Å; V384-H388 VanDerWaalsContact CG1-CD2 3.46Å; V384-H388 WeakPolarHBondContact CG1-CD2 3.48Å; V384-H388 PolarHBondContact O-CD2 3.3Å; V384-H388 PolarHBondContact O-N 3Å; V384-L640 HydrophobicContact CB-CD1 3.54Å; V384-L640 HydrophobicContact CB-CD2 3.74Å; V384-L640 HydrophobicContact CB-CG 3.52Å; V384-L640 HydrophobicContact CG1-CD1 4.09Å; V384-L640 HydrophobicContact CG1-CD2 3.29Å; V384-L640 HydrophobicContact CG1-CG 3.48Å; V384-L640 VanDerWaalsContact CG1-CG 3.48Å; V384-L640 HydrophobicContact CG2-CD1 3.52Å; V384-L640 HydrophobicContact CG2-CD2 3.83Å; V384-L640 HydrophobicContact CG2-CG 3.9Å
385	E	63.2	Low	61.8	Low	63 Å²	63	68.7 Å²	68.7	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-55.4	-40.1	166.3	-74.2	174.9	171.2	0	0	111.1	Q381 H388 A389 R639	Q381-E385 WeakPolarHBondContact O-CB 3.35Å; Q381-E385 VanDerWaalsContact O-CG 3.29Å; Q381-E385 WeakPolarHBondContact O-CG 3.27Å; Q381-E385 PolarHBondContact O-N 2.89Å; E385-H388 PolarHBondContact O-N 3.16Å; E385-A389 WeakPolarHBondContact O-CB 3.29Å; E385-A389 PolarHBondContact O-N 3.05Å; E385-R639 HydrophobicContact CG-CG 4.33Å; E385-R639 WeakPolarHBondContact OE1-CG 3.49Å; E385-R639 IonicContact OE1-CZ 2.78Å; E385-R639 IonicContact OE1-NE 3.27Å; E385-R639 PolarHBondContact OE1-NE 3.08Å; E385-R639 IonicContact OE1-NH2 3.31Å
386	R	64.6	Low	63.8	Low	125 Å²	125	61.5 Å²	61.5	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-43	173	-73.5	171.8	-178.1	-175.3	1	112.7	L104 K382 L383 V384 H388 A389 V390	L104-R386 HydrophobicContact CD2-CB 3.99Å; L104-R386 HydrophobicContact CD2-CG 3.67Å; K382-R386 VanDerWaalsContact O-CG 3.24Å; K382-R386 WeakPolarHBondContact O-CG 3.37Å; K382-R386 PolarHBondContact O-N 3.25Å; L383-R386 CarbonylContact O-C 3.5Å; L383-R386 WeakPolarHBondContact O-CA 3.47Å; L383-R386 VanDerWaalsContact O-CB 3.31Å; L383-R386 WeakPolarHBondContact O-CB 3.36Å; L383-R386 PolarHBondContact O-N 2.94Å; V384-R386 PolarHBondContact O-N 3.37Å; R386-H388 VanDerWaalsContact C-N 3.34Å; R386-A389 WeakPolarHBondContact O-CB 3.47Å; R386-A389 PolarHBondContact O-N 3.39Å; R386-V390 WeakPolarHBondContact O-CG2 3.45Å; R386-V390 PolarHBondContact O-N 3.38Å
387	L	66.8	Low	65.6	Low	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-38.9	175.6	-71	171.3	0	0	0	111.8	F108 L347 L354 F368 F372 L383 V384 A389 V390 L391	F108-L387 HydrophobicContact CZ-CD2 4.16Å; L347-L387 HydrophobicContact CD2-CD1 4.18Å; L354-L387 HydrophobicContact CD1-CD2 4.07Å; F368-L387 HydrophobicContact CE2-CD1 4.45Å; F368-L387 HydrophobicContact CE2-CD2 4.18Å; F368-L387 HydrophobicContact CZ-CD1 3.86Å; F368-L387 HydrophobicContact CZ-CD2 4.35Å; F372-L387 HydrophobicContact CZ-CD1 4.06Å; L383-L387 WeakPolarHBondContact O-CG 3.34Å; L383-L387 PolarHBondContact O-N 2.89Å; V384-L387 PolarHBondContact O-N 2.83Å; V384-L387 VanDerWaalsContact O-N 3.11Å; L387-A389 VanDerWaalsContact C-N 3.34Å; L387-V390 WeakPolarHBondContact O-CB 3.33Å; L387-V390 PolarHBondContact O-N 3.32Å; L387-L391 PolarHBondContact O-N 2.87Å
388	H	66.3	Low	67.6	Low	22 Å²	22	55.6 Å²	55.6	10%	0.102	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-39.7	172.5	-79.5	-68.6	0	0	0	111.6	V384 E385 R386 V390 L391 K392 G638	V384-H388 VanDerWaalsContact CG1-CD2 3.46Å; V384-H388 WeakPolarHBondContact CG1-CD2 3.48Å; V384-H388 PolarHBondContact O-CD2 3.3Å; V384-H388 PolarHBondContact O-N 3Å; E385-H388 PolarHBondContact O-N 3.16Å; R386-H388 VanDerWaalsContact C-N 3.34Å; H388-V390 VanDerWaalsContact C-N 3.32Å; H388-V390 PolarHBondContact O-N 3Å; H388-L391 PolarHBondContact O-N 3.07Å; H388-K392 PolarHBondContact O-N 3.4Å; H388-G638 PolarHBondContact CD2-O 3.44Å
389	A	67.8	Low	69.3	Low	37 Å²	37	49.4 Å²	49.4	31%	0.306	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-38	173.9	0	0	0	0	0	112.1	L104 E385 R386 L387 L391 K392 P393	L104-A389 HydrophobicContact CD1-CB 4.19Å; E385-A389 WeakPolarHBondContact O-CB 3.29Å; E385-A389 PolarHBondContact O-N 3.05Å; R386-A389 WeakPolarHBondContact O-CB 3.47Å; R386-A389 PolarHBondContact O-N 3.39Å; L387-A389 VanDerWaalsContact C-N 3.34Å; A389-L391 VanDerWaalsContact C-N 3.35Å; A389-K392 PolarHBondContact O-N 3.13Å; A389-P393 WeakPolarHBondContact O-CD 3.48Å
390	V	68.7	Low	70.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-38	172.8	160.9	0	0	0	0	111.3	L104 F105 F108 L354 R386 L387 H388 P393 F394	L104-V390 HydrophobicContact CB-CG2 4.13Å; F105-V390 HydrophobicContact CD1-CG1 4.37Å; F105-V390 HydrophobicContact CE1-CB 4.4Å; F105-V390 HydrophobicContact CE1-CG1 3.39Å; F105-V390 HydrophobicContact CE1-CG2 4.45Å; F105-V390 HydrophobicContact CE2-CG1 4.23Å; F105-V390 HydrophobicContact CZ-CB 4Å; F105-V390 HydrophobicContact CZ-CG1 3.27Å; F105-V390 HydrophobicContact CZ-CG2 4.26Å; F108-V390 HydrophobicContact CD2-CG2 4.43Å; F108-V390 HydrophobicContact CE2-CG2 4Å; L354-V390 HydrophobicContact CD2-CG1 4.23Å; R386-V390 WeakPolarHBondContact O-CG2 3.45Å; R386-V390 PolarHBondContact O-N 3.38Å; L387-V390 WeakPolarHBondContact O-CB 3.33Å; L387-V390 PolarHBondContact O-N 3.32Å; H388-V390 VanDerWaalsContact C-N 3.32Å; H388-V390 PolarHBondContact O-N 3Å; V390-P393 WeakPolarHBondContact O-CD 3.35Å; V390-F394 WeakPolarHBondContact O-CE2 3.35Å
391	L	71.3	Confident	71.5	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-75.6	-27.2	178.1	-80.4	170.8	0	0	0	114	L343 L350 L354 L357 L387 H388 A389 P393 F394 L395	L343-L391 HydrophobicContact CD1-CD1 4.45Å; L343-L391 HydrophobicContact CD2-CD1 4.28Å; L350-L391 HydrophobicContact CD2-CD1 3.49Å; L350-L391 VanDerWaalsContact CD2-CD1 3.49Å; L354-L391 HydrophobicContact CD2-CD2 3.4Å; L354-L391 VanDerWaalsContact CD2-CD2 3.4Å; L354-L391 HydrophobicContact CD2-CG 3.85Å; L354-L391 HydrophobicContact CG-CD2 3.93Å; L354-L391 HydrophobicContact CG-CG 4.27Å; L357-L391 HydrophobicContact CD1-CD2 4.09Å; L387-L391 PolarHBondContact O-N 2.87Å; H388-L391 PolarHBondContact O-N 3.07Å; A389-L391 VanDerWaalsContact C-N 3.35Å; L391-P393 VanDerWaalsContact C-CD 3.47Å; L391-F394 HydrophobicContact CD2-CD2 4.45Å; L391-F394 PolarHBondContact O-N 2.82Å; L391-L395 PolarHBondContact O-N 3.01Å
392	K	72.8	Confident	72.4	Confident	163 Å²	163	49.2 Å²	49.2	71%	0.709	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-53	-41.4	-172.2	-163.6	176.2	-176.6	177	0	113.9	H388 A389 F394 L395	H388-K392 PolarHBondContact O-N 3.4Å; A389-K392 PolarHBondContact O-N 3.13Å; K392-F394 VanDerWaalsContact C-N 3.27Å; K392-F394 PolarHBondContact O-N 2.86Å; K392-L395 PolarHBondContact O-N 3.32Å
393	P	74.3	Confident	73.3	Confident	24 Å²	24	44.9 Å²	44.9	16%	0.156	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-63.1	-28.6	175.7	-24.4	36	0	0	0	114.5	Q101 A389 V390 L391	Q101-P393 HydrophobicContact CB-CG 4.27Å; Q101-P393 HydrophobicContact CG-CB 4.43Å; A389-P393 WeakPolarHBondContact O-CD 3.48Å; V390-P393 WeakPolarHBondContact O-CD 3.35Å; L391-P393 VanDerWaalsContact C-CD 3.47Å
394	F	80.3	Confident	73.9	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.009	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-93.2	-6.2	-178.4	-41.4	-55.5	0	0	0	113.4	L98 F105 W193 V202 I205 L357 L358 V390 L391 K392	L98-F394 HydrophobicContact CD2-CE1 3.45Å; L98-F394 VanDerWaalsContact CD2-CE1 3.45Å; L98-F394 HydrophobicContact CD2-CE2 4.4Å; L98-F394 HydrophobicContact CD2-CZ 3.17Å; F105-F394 HydrophobicContact CE1-CE2 4.49Å; F105-F394 HydrophobicContact CE1-CZ 4.39Å; F105-F394 HydrophobicContact CE2-CZ 4.1Å; F105-F394 AromaticContact CZ-CE2 3.69Å; F105-F394 HydrophobicContact CZ-CE2 3.69Å; F105-F394 AromaticContact CZ-CZ 3.55Å; F105-F394 HydrophobicContact CZ-CZ 3.55Å; W193-F394 VanDerWaalsContact CH2-O 3.3Å; W193-F394 WeakPolarHBondContact CH2-O 3.47Å; W193-F394 WeakPolarHBondContact CZ2-O 3.21Å; V202-F394 HydrophobicContact CG1-CD1 3.28Å; V202-F394 HydrophobicContact CG1-CE1 3.4Å; V202-F394 VanDerWaalsContact CG1-CE1 3.4Å; V202-F394 HydrophobicContact CG1-CG 4.47Å; I205-F394 PolarHBondContact N-O 3.47Å; L357-F394 HydrophobicContact CD1-CB 4.28Å; L357-F394 HydrophobicContact CD1-CD2 4.5Å; L358-F394 HydrophobicContact CD1-CE2 4.15Å; L358-F394 HydrophobicContact CD1-CZ 4.2Å; V390-F394 WeakPolarHBondContact O-CE2 3.35Å; L391-F394 HydrophobicContact CD2-CD2 4.45Å; L391-F394 PolarHBondContact O-N 2.82Å; K392-F394 VanDerWaalsContact C-N 3.27Å; K392-F394 PolarHBondContact O-N 2.86Å
395	L	83.4	Confident	74.4	Confident	36 Å²	36	53.6 Å²	53.6	19%	0.188	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	112	-174	-172.2	153.2	0	0	0	109.9	I205 A207 P342 L343 L391 K392 R397	I205-L395 HydrophobicContact CB-CG 4.44Å; I205-L395 WeakPolarHBondContact O-CA 3.08Å; A207-L395 HydrophobicContact CB-CD2 4.18Å; A207-L395 HydrophobicContact CB-CG 4.18Å; P342-L395 HydrophobicContact CB-CD1 3.99Å; L343-L395 HydrophobicContact CD1-CD1 4.1Å; L343-L395 HydrophobicContact CG-CD1 4.45Å; L391-L395 PolarHBondContact O-N 3.01Å; K392-L395 PolarHBondContact O-N 3.32Å; L395-R397 HydrophobicContact CD2-CB 3.69Å
396	L	84.9	Confident	75.1	Confident	32 Å²	32	54.4 Å²	54.4	17%	0.168	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.6	168.7	-176.8	63.7	0	0	0	109.1	W193 I205 L206 A207 R398	W193-L396 HydrophobicContact CB-CD2 4.15Å; W193-L396 HydrophobicContact CD2-CB 3.78Å; W193-L396 HydrophobicContact CD2-CD2 3.8Å; W193-L396 HydrophobicContact CD2-CG 4.33Å; W193-L396 HydrophobicContact CE3-CB 3.69Å; W193-L396 HydrophobicContact CE3-CD2 3.66Å; W193-L396 HydrophobicContact CE3-CG 4.32Å; W193-L396 HydrophobicContact CG-CD2 4.02Å; W193-L396 HydrophobicContact CH2-CB 3.56Å; W193-L396 HydrophobicContact CZ2-CB 3.66Å; W193-L396 HydrophobicContact CZ3-CB 3.59Å; W193-L396 HydrophobicContact CZ3-CD2 4.3Å; I205-L396 PolarHBondContact O-N 3.27Å; L206-L396 HydrophobicContact CD1-CB 4.26Å; L206-L396 HydrophobicContact CD1-CD2 3.99Å; L206-L396 HydrophobicContact CD1-CG 4.32Å; A207-L396 CarbonylContact C-O 3.54Å; A207-L396 WeakPolarHBondContact CA-O 3.34Å; A207-L396 PolarHBondContact N-O 2.84Å; L396-R398 HydrophobicContact CD1-CG 4.49Å
397	R	84.7	Confident	75.9	Confident	79 Å²	79	49.5 Å²	49.5	30%	0.298	26%	0.255	S	S	.	.			trans	-131.4	123.5	174.7	178	167.6	-167.1	-109.7	4.8	110.6	A207 L395	A207-R397 HydrophobicContact CB-CB 4.02Å; A207-R397 HydrophobicContact CB-CG 4.46Å; A207-R397 WeakPolarHBondContact O-CG 3.37Å; L395-R397 HydrophobicContact CD2-CB 3.69Å
398	R	85	Confident	76.8	Confident	30 Å²	30	50.8 Å²	50.8	11%	0.113	26%	0.264	C	S	.	.			trans	-125	146	173.6	-63.7	164.6	-65.1	-170.6	4.1	110.4	Y186 D208 E209 L212 L396 V403	Y186-R398 PolarHBondContact O-NH1 3.27Å; D208-R398 WeakPolarHBondContact OD1-CB 3.27Å; D208-R398 IonicContact OD1-CZ 2.74Å; D208-R398 PolarHBondContact OD1-N 3.46Å; D208-R398 VanDerWaalsContact OD1-N 3.13Å; D208-R398 IonicContact OD1-NE 3.85Å; D208-R398 PolarHBondContact OD1-NE 2.98Å; D208-R398 IonicContact OD1-NH2 3.21Å; D208-R398 PolarHBondContact OD1-NH2 3.45Å; D208-R398 IonicContact OD2-CZ 2.89Å; D208-R398 IonicContact OD2-NE 3.99Å; D208-R398 IonicContact OD2-NH2 2.95Å; D208-R398 PolarHBondContact OD2-NH2 3.29Å; E209-R398 PolarHBondContact N-O 3.2Å; L212-R398 HydrophobicContact CD1-CB 4.36Å; L212-R398 VanDerWaalsContact CD1-O 3.26Å; L212-R398 WeakPolarHBondContact CD1-O 3.41Å; L396-R398 HydrophobicContact CD1-CG 4.49Å; R398-V403 HydrophobicContact CB-CG1 3.81Å; R398-V403 HydrophobicContact CB-CG2 4.43Å; R398-V403 HydrophobicContact CG-CG1 4.1Å
399	I	79.4	Confident	77.7	Confident	43 Å²	43	54.5 Å²	54.5	22%	0.221	29%	0.289	C	S	.	.			trans	-101.2	143	179.8	-53.7	174.2	0	0	0	108	E209 T401 D402 V403	E209-I399 WeakPolarHBondContact OE2-CA 3.35Å; E209-I399 VanDerWaalsContact OE2-CG2 3.24Å; E209-I399 WeakPolarHBondContact OE2-CG2 3.36Å; I399-T401 VanDerWaalsContact C-N 3.26Å; I399-T401 VanDerWaalsContact CG2-OG1 3.3Å; I399-T401 WeakPolarHBondContact CG2-OG1 3.09Å; I399-T401 PolarHBondContact O-N 3.37Å; I399-D402 PolarHBondContact O-N 3.23Å; I399-V403 PolarHBondContact O-N 2.79Å
400	K	76.9	Confident	78.8	Confident	9 Å²	9	55.8 Å²	55.8	4%	0.039	29%	0.288	C	S	.	.	H	α-helix	trans	-52.5	-44.4	-179.1	-73.3	175.6	-172.4	169.5	0	112.4	E209 M210 L212 D402 V403 E404 L407 D594 H597	E209-K400 HydrophobicContact CB-CG 4.38Å; E209-K400 HydrophobicContact CG-CG 4.35Å; E209-K400 PolarHBondContact OE2-N 3.49Å; M210-K400 WeakPolarHBondContact O-CE 3.42Å; M210-K400 PolarHBondContact O-NZ 3.43Å; L212-K400 HydrophobicContact CD1-CG 4.47Å; L212-K400 HydrophobicContact CD2-CG 3.89Å; L212-K400 HydrophobicContact CG-CG 4.01Å; K400-D402 PolarHBondContact O-N 2.75Å; K400-D402 VanDerWaalsContact O-N 3.16Å; K400-V403 PolarHBondContact O-N 3.2Å; K400-E404 WeakPolarHBondContact O-CA 3.41Å; K400-E404 WeakPolarHBondContact O-CB 3.42Å; K400-E404 PolarHBondContact O-N 2.96Å; K400-L407 HydrophobicContact CD-CD2 4.12Å; K400-D594 IonicContact NZ-OD1 2.81Å; K400-D594 PolarHBondContact NZ-OD1 3.15Å; K400-D594 IonicContact NZ-OD2 2.57Å; K400-D594 PolarHBondContact NZ-OD2 3.2Å; K400-H597 PolarHBondContact NZ-O 2.9Å
401	T	75	Confident	79.8	Confident	108 Å²	108	60.5 Å²	60.5	66%	0.663	31%	0.308	S	S	*	.	H	α-helix	trans	-57.1	-29.7	179.6	51.7	0	0	0	0	113.2	I399	I399-T401 VanDerWaalsContact C-N 3.26Å; I399-T401 VanDerWaalsContact CG2-OG1 3.3Å; I399-T401 WeakPolarHBondContact CG2-OG1 3.09Å; I399-T401 PolarHBondContact O-N 3.37Å
402	D	74.7	Confident	80.8	Confident	103 Å²	103	63.4 Å²	63.4	55%	0.551	32%	0.322	S	S	*	.	H	α-helix	trans	-88.4	-33.9	-171.9	-56.8	-11.4	0	0	0	111.9	I399 K400	I399-D402 PolarHBondContact O-N 3.23Å; K400-D402 PolarHBondContact O-N 2.75Å; K400-D402 VanDerWaalsContact O-N 3.16Å
403	V	78	Confident	81.8	Confident	40 Å²	40	56.2 Å²	56.2	24%	0.242	29%	0.291	C	S	.	.	H	α-helix	trans	-112	-25.8	-170.3	-59.2	0	0	0	0	114.1	Y186 L212 R398 I399 K400	Y186-V403 HydrophobicContact CD1-CB 3.97Å; Y186-V403 HydrophobicContact CD1-CG2 4.07Å; Y186-V403 HydrophobicContact CD2-CB 4.4Å; Y186-V403 HydrophobicContact CD2-CG2 4.07Å; Y186-V403 HydrophobicContact CE1-CG2 4.35Å; Y186-V403 HydrophobicContact CE2-CG2 4.34Å; Y186-V403 HydrophobicContact CG-CB 3.83Å; Y186-V403 HydrophobicContact CG-CG2 3.95Å; L212-V403 HydrophobicContact CD1-CG2 4.06Å; L212-V403 HydrophobicContact CD2-CG2 3.67Å; R398-V403 HydrophobicContact CB-CG1 3.81Å; R398-V403 HydrophobicContact CB-CG2 4.43Å; R398-V403 HydrophobicContact CG-CG1 4.1Å; I399-V403 PolarHBondContact O-N 2.79Å; K400-V403 PolarHBondContact O-N 3.2Å
404	E	72.3	Confident	82.8	Confident	15 Å²	15	55.1 Å²	55.1	7%	0.07	28%	0.284	C	S	.	.			trans	-118.8	76.6	-169.9	-173.6	51.1	-104.2	0	0	111	R184 Y186 L212 K400 S406 L407	R184-E404 WeakPolarHBondContact CD-OE2 3.34Å; R184-E404 IonicContact CZ-OE1 3.64Å; R184-E404 IonicContact CZ-OE2 3.03Å; R184-E404 IonicContact NE-OE2 3.41Å; R184-E404 PolarHBondContact NE-OE2 3.18Å; R184-E404 IonicContact NH1-OE1 3.25Å; R184-E404 PolarHBondContact NH1-OE1 3.04Å; R184-E404 IonicContact NH1-OE2 3.53Å; R184-E404 PolarHBondContact NH1-OE2 3.01Å; Y186-E404 VanDerWaalsContact CE1-OE2 3.29Å; Y186-E404 WeakPolarHBondContact CE1-OE2 3.04Å; L212-E404 HydrophobicContact CD2-CB 4.2Å; K400-E404 WeakPolarHBondContact O-CA 3.41Å; K400-E404 WeakPolarHBondContact O-CB 3.42Å; K400-E404 PolarHBondContact O-N 2.96Å; E404-S406 VanDerWaalsContact C-N 3.27Å; E404-S406 PolarHBondContact O-N 3.35Å; E404-S406 WeakPolarHBondContact OE1-CB 3.29Å; E404-S406 PolarHBondContact OE1-N 2.79Å; E404-S406 VanDerWaalsContact OE1-N 3.12Å; E404-S406 PolarHBondContact OE1-OG 3.24Å; E404-L407 HydrophobicContact CG-CB 3.57Å
405	K	72.9	Confident	83.4	Confident	192 Å²	192	55 Å²	55	84%	0.835	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.7	179.7	-60.3	-171.7	-180	-175.7	0	113.6
406	S	77.7	Confident	83.7	Confident	80 Å²	80	55 Å²	55	56%	0.559	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-15.6	-179.5	76.6	0	0	0	0	113.7	R184 E404 P408	R184-S406 PolarHBondContact NH1-OG 2.85Å; E404-S406 VanDerWaalsContact C-N 3.27Å; E404-S406 PolarHBondContact O-N 3.35Å; E404-S406 WeakPolarHBondContact OE1-CB 3.29Å; E404-S406 PolarHBondContact OE1-N 2.79Å; E404-S406 VanDerWaalsContact OE1-N 3.12Å; E404-S406 PolarHBondContact OE1-OG 3.24Å; S406-P408 WeakPolarHBondContact O-CD 3.43Å
407	L	81.2	Confident	84	Confident	23 Å²	23	54 Å²	54	12%	0.12	28%	0.276	C	S	.	.	S	Bend	trans	-74.2	123.9	177.5	-177	69.7	0	0	0	109.2	K400 E404 H597 R598 Q601	K400-L407 HydrophobicContact CD-CD2 4.12Å; E404-L407 HydrophobicContact CG-CB 3.57Å; L407-H597 WeakPolarHBondContact CD2-NE2 3.48Å; L407-R598 WeakPolarHBondContact CD1-O 3.41Å; L407-Q601 HydrophobicContact CD1-CB 4Å
408	P	84.8	Confident	84.2	Confident	27 Å²	27	50.8 Å²	50.8	18%	0.175	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-54.3	141.7	174.4	-26.9	36	0	0	0	111.2	S406 H597 P604	S406-P408 WeakPolarHBondContact O-CD 3.43Å; P408-H597 PolarHBondContact O-CD2 3.26Å; P408-H597 PolarHBondContact O-NE2 3.04Å; P408-P604 HydrophobicContact CB-CB 4.4Å
409	P	86.2	Confident	84.4	Confident	99 Å²	99	49.5 Å²	49.5	64%	0.643	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-65.7	155.1	-176.9	28	-34.6	0	0	0	110.9	P604 V605	P409-P604 WeakPolarHBondContact O-CA 3.43Å; P409-V605 PolarHBondContact O-N 3.28Å; P409-V605 VanDerWaalsContact O-N 3.12Å
410	K	89.9	Confident	85	Confident	65 Å²	65	47.5 Å²	47.5	28%	0.283	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.2	164.5	64.3	176.2	167.6	-169.2	0	110	D594 H597 V605	K410-D594 IonicContact NZ-OD1 3.58Å; K410-D594 PolarHBondContact NZ-OD1 3.28Å; K410-H597 HydrophobicContact CB-CB 4.41Å; K410-H597 HydrophobicContact CD-CB 4.08Å; K410-H597 WeakPolarHBondContact CD-ND1 3.26Å; K410-V605 CarbonylContact C-O 3.49Å; K410-V605 WeakPolarHBondContact CA-O 3.46Å; K410-V605 HydrophobicContact CB-CB 4.07Å
411	K	90.3	Very high	85.6	Confident	98 Å²	98	54 Å²	54	43%	0.426	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.9	175.4	-170.5	-178.3	-172.4	-176.6	0	108.9	I413 V605 V607 E685	K411-I413 HydrophobicContact CD-CD1 4.41Å; K411-I413 HydrophobicContact CG-CG1 4.38Å; K411-V605 PolarHBondContact N-O 3.15Å; K411-V607 PolarHBondContact O-N 3.05Å; K411-E685 VanDerWaalsContact CE-OE1 3.32Å; K411-E685 WeakPolarHBondContact CE-OE1 3.16Å; K411-E685 IonicContact NZ-OE1 3.66Å; K411-E685 PolarHBondContact NZ-OE1 3.32Å; K411-E685 IonicContact NZ-OE2 3.33Å; K411-E685 PolarHBondContact NZ-OE2 3.41Å
412	E	92.3	Very high	86.3	Confident	63 Å²	63	50 Å²	50	29%	0.294	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.9	173.7	-174.4	174	-177	0	0	109.8	V607 R609	E412-V607 CarbonylContact C-O 3.57Å; E412-V607 WeakPolarHBondContact CA-O 3.43Å; E412-V607 HydrophobicContact CB-CB 4.26Å; E412-V607 HydrophobicContact CG-CB 4.31Å; E412-V607 HydrophobicContact CG-CG1 4.3Å; E412-R609 IonicContact OE1-CZ 2.74Å; E412-R609 IonicContact OE1-NE 2.73Å; E412-R609 PolarHBondContact OE1-NE 3.14Å; E412-R609 IonicContact OE1-NH2 2.78Å; E412-R609 PolarHBondContact OE1-NH2 2.85Å
413	I	94.1	Very high	87.2	Confident	12 Å²	12	45.1 Å²	45.1	6%	0.062	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.7	178	-60.1	170.2	0	0	0	107.2	K411 I415 V607 F608 R609 E685	K411-I413 HydrophobicContact CD-CD1 4.41Å; K411-I413 HydrophobicContact CG-CG1 4.38Å; I413-I415 HydrophobicContact CG2-CG1 4.43Å; I413-V607 PolarHBondContact N-O 2.86Å; I413-F608 HydrophobicContact CB-CD1 4.07Å; I413-F608 HydrophobicContact CB-CE1 4.35Å; I413-F608 HydrophobicContact CD1-CD1 4.43Å; I413-F608 HydrophobicContact CD1-CE1 3.85Å; I413-F608 HydrophobicContact CG2-CD1 4.46Å; I413-F608 WeakPolarHBondContact O-CA 3.4Å; I413-R609 PolarHBondContact O-N 3.21Å; I413-E685 HydrophobicContact CG2-CB 4.42Å
414	K	94	Very high	87.7	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.6	176.6	-60.2	177.5	-179.2	-138.1	0	109.6	Y416 R609 I611 E625 G684 T688 M691	K414-Y416 HydrophobicContact CB-CD2 4.32Å; K414-Y416 HydrophobicContact CB-CE2 3.69Å; K414-R609 HydrophobicContact CG-CB 4.41Å; K414-I611 HydrophobicContact CB-CD1 3.98Å; K414-I611 HydrophobicContact CD-CD1 4.07Å; K414-I611 HydrophobicContact CG-CD1 4.19Å; K414-E625 WeakPolarHBondContact CE-OE1 3.38Å; K414-E625 IonicContact NZ-OE1 3.5Å; K414-E625 PolarHBondContact NZ-OE1 2.74Å; K414-E625 IonicContact NZ-OE2 2.82Å; K414-E625 PolarHBondContact NZ-OE2 3.12Å; K414-G684 CarbonylContact O-C 3.51Å; K414-G684 WeakPolarHBondContact O-CA 3.36Å; K414-T688 WeakPolarHBondContact CB-OG1 3.21Å; K414-T688 HydrophobicContact CD-CG2 4.31Å; K414-T688 HydrophobicContact CG-CG2 4.17Å; K414-T688 PolarHBondContact N-OG1 3.12Å; K414-M691 HydrophobicContact CD-CE 3.32Å
415	I	93.6	Very high	88.5	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.5	-178.7	-50.6	178.7	0	0	0	107.6	I413 L417 V490 F608 R609 L610 I611 I680 L681	I413-I415 HydrophobicContact CG2-CG1 4.43Å; I415-L417 HydrophobicContact CG2-CD2 3.58Å; I415-L417 HydrophobicContact CG2-CG 4.14Å; I415-V490 HydrophobicContact CD1-CG1 4.49Å; I415-V490 HydrophobicContact CG2-CG1 4.2Å; I415-F608 HydrophobicContact CD1-CB 4.03Å; I415-F608 HydrophobicContact CD1-CD1 3.9Å; I415-F608 HydrophobicContact CD1-CG 4.27Å; I415-R609 PolarHBondContact N-O 3.35Å; I415-L610 HydrophobicContact CB-CD2 4.07Å; I415-L610 HydrophobicContact CD1-CD2 3.89Å; I415-L610 HydrophobicContact CG1-CD2 4.39Å; I415-I611 PolarHBondContact O-N 3.29Å; I415-I680 HydrophobicContact CG2-CG2 3.43Å; I415-I680 VanDerWaalsContact CG2-CG2 3.43Å; I415-L681 HydrophobicContact CD1-CD2 3.56Å; I415-L681 HydrophobicContact CG1-CD2 4.18Å
416	Y	90.7	Very high	89.4	Confident	35 Å²	35	40.4 Å²	40.4	14%	0.137	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.6	179.3	-67.9	-97.8	0	0	0	109.7	K414 I611 D613 E618 K687	K414-Y416 HydrophobicContact CB-CD2 4.32Å; K414-Y416 HydrophobicContact CB-CE2 3.69Å; Y416-I611 CarbonylContact C-O 3.59Å; Y416-I611 WeakPolarHBondContact CA-O 3.38Å; Y416-I611 HydrophobicContact CD1-CB 4.25Å; Y416-I611 HydrophobicContact CD1-CG2 4.15Å; Y416-I611 HydrophobicContact CE1-CB 4.43Å; Y416-I611 HydrophobicContact CE1-CD1 4.14Å; Y416-I611 HydrophobicContact CE1-CG2 4.13Å; Y416-I611 HydrophobicContact CE2-CD1 4.47Å; Y416-D613 VanDerWaalsContact CD1-OD1 3.26Å; Y416-D613 WeakPolarHBondContact CD1-OD1 3.45Å; Y416-E618 HydrophobicContact CE1-CG 4.18Å; Y416-K687 HydrophobicContact CD1-CD 4.3Å; Y416-K687 HydrophobicContact CD2-CB 4.45Å; Y416-K687 HydrophobicContact CD2-CD 3.5Å; Y416-K687 HydrophobicContact CD2-CG 4.12Å; Y416-K687 HydrophobicContact CE1-CD 4.32Å; Y416-K687 HydrophobicContact CE2-CB 4.26Å; Y416-K687 HydrophobicContact CE2-CD 3.54Å; Y416-K687 HydrophobicContact CE2-CG 3.74Å; Y416-K687 HydrophobicContact CG-CD 3.89Å
417	L	89.4	Confident	90	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.058	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.8	-167.8	-55.5	177.3	0	0	0	111	I415 K487 V490 L610 I611 T612 D613 I680	I415-L417 HydrophobicContact CG2-CD2 3.58Å; I415-L417 HydrophobicContact CG2-CG 4.14Å; L417-K487 HydrophobicContact CD1-CB 4.44Å; L417-K487 HydrophobicContact CD1-CG 4.06Å; L417-V490 HydrophobicContact CD1-CB 4.02Å; L417-V490 HydrophobicContact CD1-CG1 4.42Å; L417-V490 HydrophobicContact CD1-CG2 4.13Å; L417-V490 HydrophobicContact CD2-CB 3.94Å; L417-V490 HydrophobicContact CD2-CG1 4.15Å; L417-V490 HydrophobicContact CD2-CG2 3.27Å; L417-V490 HydrophobicContact CG-CG2 4.33Å; L417-L610 HydrophobicContact CD1-CB 4.41Å; L417-L610 HydrophobicContact CD1-CD2 4.4Å; L417-I611 PolarHBondContact N-O 3.42Å; L417-T612 CarbonylContact O-C 3.48Å; L417-T612 WeakPolarHBondContact O-CA 3.38Å; L417-D613 PolarHBondContact O-N 3.41Å; L417-I680 HydrophobicContact CD2-CG2 4.5Å
418	G	89.1	Confident	90.4	Very high	12 Å²	12	36.8 Å²	36.8	12%	0.124	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-73.8	163.8	172.6	0	0	0	0	0	113.2	L672	G418-L672 VanDerWaalsContact O-CD2 3.28Å; G418-L672 WeakPolarHBondContact O-CD2 3.43Å
419	L	90.4	Very high	90.4	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-77.2	137.2	171.2	-70.2	164.2	0	0	0	110.8	Q423 R424 Y427 T612 T615 V664 E671	L419-Q423 HydrophobicContact CB-CB 4.2Å; L419-Q423 HydrophobicContact CD2-CB 3.73Å; L419-R424 HydrophobicContact CB-CB 4.48Å; L419-Y427 HydrophobicContact CD1-CD2 4.48Å; L419-Y427 HydrophobicContact CD1-CG 4.45Å; L419-T612 HydrophobicContact CD2-CG2 3.56Å; L419-T612 HydrophobicContact CG-CG2 3.82Å; L419-T615 HydrophobicContact CD1-CG2 4.05Å; L419-T615 HydrophobicContact CD2-CG2 4.26Å; L419-T615 HydrophobicContact CG-CG2 4.22Å; L419-V664 HydrophobicContact CD1-CG2 3.84Å; L419-E671 PolarHBondContact O-N 3.36Å
420	S	91.5	Very high	90.6	Very high	1 Å²	1	37 Å²	37	1%	0.007	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-63.4	163.5	166	85.3	0	0	0	0	111.1	M422 Q423 R424 N484	S420-M422 VanDerWaalsContact C-N 3.29Å; S420-M422 PolarHBondContact O-N 2.99Å; S420-M422 PolarHBondContact OG-N 3.35Å; S420-Q423 PolarHBondContact O-N 3.08Å; S420-Q423 WeakPolarHBondContact OG-CB 3.11Å; S420-Q423 VanDerWaalsContact OG-CG 3.31Å; S420-Q423 WeakPolarHBondContact OG-CG 3.34Å; S420-Q423 PolarHBondContact OG-N 2.85Å; S420-Q423 PolarHBondContact OG-OE1 3.27Å; S420-R424 PolarHBondContact O-N 3.33Å; S420-N484 WeakPolarHBondContact CB-O 3.11Å; S420-N484 VanDerWaalsContact OG-C 3.28Å; S420-N484 PolarHBondContact OG-O 2.93Å
421	K	90.1	Very high	90.4	Very high	146 Å²	146	33.9 Å²	33.9	64%	0.635	16%	0.156	S	C	*	.	H	α-helix	trans	-54.2	-48.6	175.3	-177.1	-178.8	177.4	-177.5	0	111.4	R424 E425	K421-R424 PolarHBondContact O-N 2.88Å; K421-E425 WeakPolarHBondContact CE-OE1 3.49Å; K421-E425 WeakPolarHBondContact O-CG 3.26Å; K421-E425 PolarHBondContact O-N 3.49Å
422	M	89.9	Confident	90.1	Very high	24 Å²	24	31.9 Å²	31.9	12%	0.118	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-43.8	179.7	-171	-179.1	179.1	0	0	111.6	S420 R424 E425 W426 P463 Y464 A469 N484	S420-M422 VanDerWaalsContact C-N 3.29Å; S420-M422 PolarHBondContact O-N 2.99Å; S420-M422 PolarHBondContact OG-N 3.35Å; M422-R424 VanDerWaalsContact C-N 3.3Å; M422-R424 PolarHBondContact O-N 3.14Å; M422-E425 PolarHBondContact O-N 2.5Å; M422-W426 VanDerWaalsContact O-CD1 3.24Å; M422-W426 PolarHBondContact O-N 3.07Å; M422-P463 HydrophobicContact CB-CG 4.26Å; M422-P463 HydrophobicContact CE-CB 3.56Å; M422-P463 HydrophobicContact CE-CG 4.45Å; M422-P463 HydrophobicContact CG-CB 3.92Å; M422-P463 HydrophobicContact CG-CG 3.92Å; M422-P463 HydrophobicContact SD-CB 3.72Å; M422-P463 HydrophobicContact SD-CG 3.99Å; M422-Y464 HydrophobicContact CE-CD1 4.32Å; M422-Y464 HydrophobicContact CE-CE1 4.05Å; M422-Y464 HydrophobicContact SD-CE1 4.11Å; M422-A469 VanDerWaalsContact CE-C 3.48Å; M422-A469 HydrophobicContact CE-CB 3.51Å; M422-A469 WeakPolarHBondContact CE-O 3.4Å; M422-N484 HydrophobicContact CB-CB 4.38Å; M422-N484 HydrophobicContact SD-CB 3.78Å; M422-N484 VanDerWaalsContact SD-CG 3.56Å
423	Q	93.1	Very high	89.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.6	-45.4	175.1	-72.7	178	-63	0	0	110.9	L419 S420 E425 W426 Y427 C459 C460 P463 N484	L419-Q423 HydrophobicContact CB-CB 4.2Å; L419-Q423 HydrophobicContact CD2-CB 3.73Å; S420-Q423 PolarHBondContact O-N 3.08Å; S420-Q423 WeakPolarHBondContact OG-CB 3.11Å; S420-Q423 VanDerWaalsContact OG-CG 3.31Å; S420-Q423 WeakPolarHBondContact OG-CG 3.34Å; S420-Q423 PolarHBondContact OG-N 2.85Å; S420-Q423 PolarHBondContact OG-OE1 3.27Å; Q423-E425 PolarHBondContact O-N 2.84Å; Q423-W426 PolarHBondContact O-N 2.96Å; Q423-Y427 VanDerWaalsContact O-CB 3.27Å; Q423-Y427 WeakPolarHBondContact O-CB 3.4Å; Q423-Y427 PolarHBondContact O-N 3.37Å; Q423-C459 WeakPolarHBondContact CG-O 2.71Å; Q423-C459 PolarHBondContact NE2-O 2.79Å; Q423-C459 PolarHBondContact O-SG 2.92Å; Q423-C460 PolarHBondContact NE2-O 3.06Å; Q423-P463 HydrophobicContact CB-CG 4.45Å; Q423-P463 HydrophobicContact CG-CG 3.57Å; Q423-N484 WeakPolarHBondContact CG-O 3.44Å
424	R	88.5	Confident	88.7	Confident	19 Å²	19	33.9 Å²	33.9	7%	0.072	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-45.9	177.8	-175.3	177.3	-64.8	159.5	1.8	112.5	L419 S420 K421 M422 W426 Y427 T428 V664 S667 K668 E669 E671	L419-R424 HydrophobicContact CB-CB 4.48Å; S420-R424 PolarHBondContact O-N 3.33Å; K421-R424 PolarHBondContact O-N 2.88Å; M422-R424 VanDerWaalsContact C-N 3.3Å; M422-R424 PolarHBondContact O-N 3.14Å; R424-W426 VanDerWaalsContact C-N 3.29Å; R424-W426 PolarHBondContact O-N 3.12Å; R424-Y427 PolarHBondContact O-N 3.05Å; R424-T428 VanDerWaalsContact O-CB 3.3Å; R424-T428 WeakPolarHBondContact O-CB 3.31Å; R424-T428 PolarHBondContact O-N 2.69Å; R424-T428 PolarHBondContact O-OG1 2.94Å; R424-V664 HydrophobicContact CG-CG1 4.07Å; R424-S667 VanDerWaalsContact CZ-OG 3.28Å; R424-S667 PolarHBondContact NE-OG 3.02Å; R424-S667 PolarHBondContact NH2-OG 3.14Å; R424-K668 PolarHBondContact NH1-O 3.18Å; R424-E669 VanDerWaalsContact NH1-CA 3.29Å; R424-E669 PolarHBondContact NH1-O 2.82Å; R424-E669 PolarHBondContact NH2-O 3.06Å; R424-E671 IonicContact CZ-OE1 2.68Å; R424-E671 IonicContact NH2-OE1 3Å; R424-E671 PolarHBondContact NH2-OE1 3.1Å
425	E	89.3	Confident	87.8	Confident	87 Å²	87	35.5 Å²	35.5	41%	0.407	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-44.4	178.3	-73	176.4	-162.5	0	0	111.3	K421 M422 Q423 K429	K421-E425 WeakPolarHBondContact CE-OE1 3.49Å; K421-E425 WeakPolarHBondContact O-CG 3.26Å; K421-E425 PolarHBondContact O-N 3.49Å; M422-E425 PolarHBondContact O-N 2.5Å; Q423-E425 PolarHBondContact O-N 2.84Å; E425-K429 WeakPolarHBondContact O-CB 3.31Å; E425-K429 WeakPolarHBondContact O-CD 3.4Å; E425-K429 WeakPolarHBondContact O-CG 3.26Å; E425-K429 PolarHBondContact O-N 2.67Å
426	W	90.7	Very high	86.9	Confident	43 Å²	43	39.7 Å²	39.7	16%	0.163	19%	0.187	C	C	.	.	H	α-helix	trans	-68.8	-43	176.9	-81.2	91.8	0	0	0	112.6	M422 Q423 R424 T428 K429 I430 F466 A469	M422-W426 VanDerWaalsContact O-CD1 3.24Å; M422-W426 PolarHBondContact O-N 3.07Å; Q423-W426 PolarHBondContact O-N 2.96Å; R424-W426 VanDerWaalsContact C-N 3.29Å; R424-W426 PolarHBondContact O-N 3.12Å; W426-T428 VanDerWaalsContact C-N 3.32Å; W426-T428 PolarHBondContact O-N 2.99Å; W426-K429 PolarHBondContact O-N 3.43Å; W426-I430 WeakPolarHBondContact O-CD1 3.23Å; W426-I430 WeakPolarHBondContact O-CG1 3.42Å; W426-I430 PolarHBondContact O-N 3.15Å; W426-F466 HydrophobicContact CB-CE2 4.43Å; W426-F466 HydrophobicContact CD2-CB 4.47Å; W426-F466 AromaticContact CD2-CD2 3.92Å; W426-F466 HydrophobicContact CD2-CD2 3.92Å; W426-F466 HydrophobicContact CD2-CG 4.32Å; W426-F466 HydrophobicContact CE3-CB 3.93Å; W426-F466 HydrophobicContact CE3-CD1 4.24Å; W426-F466 AromaticContact CE3-CD2 3.63Å; W426-F466 HydrophobicContact CE3-CD2 3.63Å; W426-F466 HydrophobicContact CE3-CE2 4.21Å; W426-F466 AromaticContact CE3-CG 3.67Å; W426-F466 HydrophobicContact CE3-CG 3.67Å; W426-F466 HydrophobicContact CG-CD2 4.35Å; W426-F466 HydrophobicContact CH2-CB 3.63Å; W426-F466 HydrophobicContact CH2-CG 4.3Å; W426-F466 HydrophobicContact CZ2-CB 4.22Å; W426-F466 HydrophobicContact CZ3-CB 3.48Å; W426-F466 VanDerWaalsContact CZ3-CB 3.48Å; W426-F466 HydrophobicContact CZ3-CD1 4.15Å; W426-F466 HydrophobicContact CZ3-CD2 4.1Å; W426-F466 AromaticContact CZ3-CG 3.66Å; W426-F466 HydrophobicContact CZ3-CG 3.66Å; W426-A469 HydrophobicContact CH2-CB 4.31Å; W426-A469 HydrophobicContact CZ2-CB 3.53Å
427	Y	91.3	Very high	86.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-45.9	177.5	-158.3	-81	0	0	0	110.7	L419 Q423 R424 I430 L431 L456 C459 T615 V616 V664	L419-Y427 HydrophobicContact CD1-CD2 4.48Å; L419-Y427 HydrophobicContact CD1-CG 4.45Å; Q423-Y427 VanDerWaalsContact O-CB 3.27Å; Q423-Y427 WeakPolarHBondContact O-CB 3.4Å; Q423-Y427 PolarHBondContact O-N 3.37Å; R424-Y427 PolarHBondContact O-N 3.05Å; Y427-I430 PolarHBondContact O-N 2.8Å; Y427-L431 HydrophobicContact CD1-CD1 3.66Å; Y427-L431 HydrophobicContact CD1-CG 4.12Å; Y427-L431 HydrophobicContact CE1-CD1 3.68Å; Y427-L431 HydrophobicContact CE1-CG 4.18Å; Y427-L431 WeakPolarHBondContact O-CG 3.39Å; Y427-L431 PolarHBondContact O-N 3.02Å; Y427-L456 HydrophobicContact CD1-CD2 3.9Å; Y427-L456 HydrophobicContact CD2-CD2 3.83Å; Y427-L456 HydrophobicContact CE1-CD2 3.78Å; Y427-L456 HydrophobicContact CE2-CB 3.86Å; Y427-L456 HydrophobicContact CE2-CD2 3.69Å; Y427-L456 HydrophobicContact CE2-CG 4.24Å; Y427-L456 HydrophobicContact CG-CD2 3.94Å; Y427-C459 HydrophobicContact CD2-CB 4.25Å; Y427-C459 PolarHBondContact N-SG 3.32Å; Y427-C459 VanDerWaalsContact N-SG 3.37Å; Y427-T615 HydrophobicContact CE2-CG2 4.13Å; Y427-V616 PolarHBondContact OH-N 2.95Å; Y427-V664 HydrophobicContact CD1-CB 4.21Å; Y427-V664 HydrophobicContact CD1-CG1 4.07Å; Y427-V664 HydrophobicContact CD1-CG2 3.73Å; Y427-V664 HydrophobicContact CE1-CB 4.49Å; Y427-V664 HydrophobicContact CE1-CG2 3.86Å; Y427-V664 HydrophobicContact CG-CG2 4.46Å
428	T	88.1	Confident	85.2	Confident	27 Å²	27	37.9 Å²	37.9	17%	0.166	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-45.5	176	-53.2	0	0	0	0	111.2	R424 W426 I430 L431 M432 V664 F665	R424-T428 VanDerWaalsContact O-CB 3.3Å; R424-T428 WeakPolarHBondContact O-CB 3.31Å; R424-T428 PolarHBondContact O-N 2.69Å; R424-T428 PolarHBondContact O-OG1 2.94Å; W426-T428 VanDerWaalsContact C-N 3.32Å; W426-T428 PolarHBondContact O-N 2.99Å; T428-I430 VanDerWaalsContact C-N 3.32Å; T428-I430 PolarHBondContact O-N 2.89Å; T428-L431 PolarHBondContact O-N 3.29Å; T428-M432 HydrophobicContact CG2-CE 3.7Å; T428-M432 HydrophobicContact CG2-CG 4.27Å; T428-M432 HydrophobicContact CG2-SD 4.09Å; T428-M432 WeakPolarHBondContact O-CB 3.38Å; T428-M432 VanDerWaalsContact O-CG 3.3Å; T428-M432 WeakPolarHBondContact O-CG 3.49Å; T428-M432 PolarHBondContact O-N 3.14Å; T428-V664 WeakPolarHBondContact OG1-CG1 3.34Å; T428-F665 HydrophobicContact CG2-CD1 4.4Å; T428-F665 HydrophobicContact CG2-CE1 3.86Å
429	K	86.8	Confident	84.4	Confident	112 Å²	112	38.6 Å²	38.6	49%	0.487	18%	0.181	S	C	.	.	H	α-helix	trans	-59.2	-41.4	176.5	-76.9	168.6	-173	170.5	0	112.1	E425 W426 M432 K433	E425-K429 WeakPolarHBondContact O-CB 3.31Å; E425-K429 WeakPolarHBondContact O-CD 3.4Å; E425-K429 WeakPolarHBondContact O-CG 3.26Å; E425-K429 PolarHBondContact O-N 2.67Å; W426-K429 PolarHBondContact O-N 3.43Å; K429-M432 PolarHBondContact O-N 3.42Å; K429-K433 WeakPolarHBondContact O-CB 3.38Å; K429-K433 PolarHBondContact O-N 2.82Å
430	I	88.6	Confident	83.3	Confident	17 Å²	17	40.6 Å²	40.6	9%	0.087	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-49.2	177.5	-66.9	158	0	0	0	110.1	W426 Y427 T428 M432 K433 Q455 L456 C459 F466	W426-I430 WeakPolarHBondContact O-CD1 3.23Å; W426-I430 WeakPolarHBondContact O-CG1 3.42Å; W426-I430 PolarHBondContact O-N 3.15Å; Y427-I430 PolarHBondContact O-N 2.8Å; T428-I430 VanDerWaalsContact C-N 3.32Å; T428-I430 PolarHBondContact O-N 2.89Å; I430-M432 PolarHBondContact O-N 3.06Å; I430-K433 PolarHBondContact O-N 2.79Å; I430-Q455 HydrophobicContact CD1-CB 4Å; I430-Q455 HydrophobicContact CG1-CB 4.28Å; I430-Q455 HydrophobicContact CG2-CB 3.89Å; I430-L456 HydrophobicContact CB-CD2 4Å; I430-L456 HydrophobicContact CD1-CD2 4.43Å; I430-L456 HydrophobicContact CG2-CD2 3.61Å; I430-L456 HydrophobicContact CG2-CG 4.11Å; I430-C459 HydrophobicContact CD1-CB 3.97Å; I430-F466 HydrophobicContact CD1-CE1 4.11Å; I430-F466 HydrophobicContact CD1-CE2 4.27Å; I430-F466 HydrophobicContact CD1-CZ 3.58Å
431	L	86.8	Confident	81.7	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-41.7	178.6	-67.7	174.6	0	0	0	112.6	Y427 T428 K433 D434 I435 L438 L456 I657 A661 F665	Y427-L431 HydrophobicContact CD1-CD1 3.66Å; Y427-L431 HydrophobicContact CD1-CG 4.12Å; Y427-L431 HydrophobicContact CE1-CD1 3.68Å; Y427-L431 HydrophobicContact CE1-CG 4.18Å; Y427-L431 WeakPolarHBondContact O-CG 3.39Å; Y427-L431 PolarHBondContact O-N 3.02Å; T428-L431 PolarHBondContact O-N 3.29Å; L431-K433 VanDerWaalsContact C-N 3.33Å; L431-K433 PolarHBondContact O-N 2.77Å; L431-D434 CarbonylContact O-C 3.51Å; L431-D434 PolarHBondContact O-N 2.99Å; L431-I435 PolarHBondContact O-N 3.02Å; L431-I435 VanDerWaalsContact O-N 3.12Å; L431-L438 HydrophobicContact CB-CD1 4.21Å; L431-L438 HydrophobicContact CD2-CD1 3.84Å; L431-L456 HydrophobicContact CD2-CD1 4.06Å; L431-L456 HydrophobicContact CD2-CD2 4.12Å; L431-L456 HydrophobicContact CG-CD2 4.21Å; L431-I657 HydrophobicContact CD2-CG2 3.64Å; L431-A661 HydrophobicContact CD1-CB 3.69Å; L431-A661 HydrophobicContact CD2-CB 4.12Å; L431-A661 HydrophobicContact CG-CB 4.5Å; L431-F665 HydrophobicContact CB-CE2 4.29Å; L431-F665 HydrophobicContact CB-CZ 3.96Å; L431-F665 HydrophobicContact CD1-CE2 4.05Å; L431-F665 HydrophobicContact CD1-CZ 4.26Å
432	M	82.9	Confident	80.1	Confident	56 Å²	56	41.5 Å²	41.5	28%	0.276	23%	0.231	S	C	.	.	H	α-helix	trans	-67.3	-32.2	179.2	-76.6	-174.8	173.7	0	0	113.1	T428 K429 I430 D434 F665 P737	T428-M432 HydrophobicContact CG2-CE 3.7Å; T428-M432 HydrophobicContact CG2-CG 4.27Å; T428-M432 HydrophobicContact CG2-SD 4.09Å; T428-M432 WeakPolarHBondContact O-CB 3.38Å; T428-M432 VanDerWaalsContact O-CG 3.3Å; T428-M432 WeakPolarHBondContact O-CG 3.49Å; T428-M432 PolarHBondContact O-N 3.14Å; K429-M432 PolarHBondContact O-N 3.42Å; I430-M432 PolarHBondContact O-N 3.06Å; M432-D434 VanDerWaalsContact C-N 3.3Å; M432-F665 HydrophobicContact CE-CE1 4.03Å; M432-F665 HydrophobicContact CG-CE1 4.18Å; M432-F665 HydrophobicContact CG-CZ 4.33Å; M432-P737 HydrophobicContact CE-CG 3.48Å; M432-P737 VanDerWaalsContact CE-CG 3.48Å
433	K	80.8	Confident	78.5	Confident	95 Å²	95	50.4 Å²	50.4	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-39.6	177.6	-172.5	-168.8	172.8	-161.1	0	111	K429 I430 L431 D748	K429-K433 WeakPolarHBondContact O-CB 3.38Å; K429-K433 PolarHBondContact O-N 2.82Å; I430-K433 PolarHBondContact O-N 2.79Å; L431-K433 VanDerWaalsContact C-N 3.33Å; L431-K433 PolarHBondContact O-N 2.77Å; K433-D748 IonicContact NZ-OD1 3.69Å; K433-D748 PolarHBondContact NZ-OD1 2.79Å
434	D	77.4	Confident	77.1	Confident	22 Å²	22	51.7 Å²	51.7	12%	0.118	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	26.7	-174.9	-69.7	-67.8	0	0	0	112.9	L431 M432 D436 V437 L438 R448 I452	L431-D434 CarbonylContact O-C 3.51Å; L431-D434 PolarHBondContact O-N 2.99Å; M432-D434 VanDerWaalsContact C-N 3.3Å; D434-D436 PolarHBondContact O-N 3.07Å; D434-V437 HydrophobicContact CB-CG2 4.19Å; D434-V437 VanDerWaalsContact O-CB 3.3Å; D434-V437 WeakPolarHBondContact O-CB 3.26Å; D434-V437 PolarHBondContact O-N 3.48Å; D434-L438 PolarHBondContact O-N 3.15Å; D434-R448 IonicContact OD1-CZ 3.4Å; D434-R448 VanDerWaalsContact OD1-CZ 3.29Å; D434-R448 IonicContact OD1-NE 3.95Å; D434-R448 PolarHBondContact OD1-NE 2.81Å; D434-R448 IonicContact OD1-NH2 2.81Å; D434-R448 PolarHBondContact OD1-NH2 3.04Å; D434-I452 HydrophobicContact CB-CD1 3.56Å; D434-I452 HydrophobicContact CB-CG1 4.01Å
435	I	75.4	Confident	76.4	Confident	35 Å²	35	55.8 Å²	55.8	18%	0.179	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-30	-176.3	-162.9	165.3	0	0	0	113.2	L431 V437 L438 N439 P736	L431-I435 PolarHBondContact O-N 3.02Å; L431-I435 VanDerWaalsContact O-N 3.12Å; I435-V437 PolarHBondContact O-N 2.93Å; I435-L438 PolarHBondContact O-N 2.86Å; I435-N439 PolarHBondContact O-N 3.14Å; I435-N439 VanDerWaalsContact O-N 3.1Å; I435-P736 HydrophobicContact CD1-CB 3.61Å; I435-P736 HydrophobicContact CD1-CG 3.71Å
436	D	75	Confident	75.9	Confident	88 Å²	88	55.4 Å²	55.4	47%	0.471	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-37.2	173.2	63.3	-46.7	0	0	0	111.3	D434 S440 R448	D434-D436 PolarHBondContact O-N 3.07Å; D436-S440 WeakPolarHBondContact O-CB 3.42Å; D436-S440 PolarHBondContact O-N 2.9Å; D436-S440 VanDerWaalsContact O-N 3.08Å; D436-R448 IonicContact OD1-CZ 2.63Å; D436-R448 IonicContact OD1-NH1 3.26Å; D436-R448 IonicContact OD1-NH2 3.8Å; D436-R448 PolarHBondContact OD1-NH2 2.92Å; D436-R448 IonicContact OD2-CZ 3Å; D436-R448 IonicContact OD2-NH1 3.9Å; D436-R448 PolarHBondContact OD2-NH1 3.01Å; D436-R448 IonicContact OD2-NH2 3.3Å; D436-R448 PolarHBondContact OD2-NH2 3.33Å
437	V	73.5	Confident	75.3	Confident	8 Å²	8	60 Å²	60	5%	0.048	32%	0.32	C	S	.	.	H	α-helix	trans	-69.9	-44.6	175.5	-170.6	0	0	0	0	110.9	D434 I435 N439 S440 M444 R448 L449 I452	D434-V437 HydrophobicContact CB-CG2 4.19Å; D434-V437 VanDerWaalsContact O-CB 3.3Å; D434-V437 WeakPolarHBondContact O-CB 3.26Å; D434-V437 PolarHBondContact O-N 3.48Å; I435-V437 PolarHBondContact O-N 2.93Å; V437-N439 PolarHBondContact O-N 3.09Å; V437-S440 PolarHBondContact O-N 3.47Å; V437-M444 HydrophobicContact CG1-CG 4.27Å; V437-M444 HydrophobicContact CG1-SD 4.1Å; V437-R448 HydrophobicContact CG2-CG 4.36Å; V437-R448 VanDerWaalsContact CG2-NH2 3.25Å; V437-L449 HydrophobicContact CG1-CD2 3.74Å; V437-L449 HydrophobicContact CG1-CG 4.47Å; V437-I452 HydrophobicContact CB-CD1 4.33Å; V437-I452 HydrophobicContact CG1-CD1 4.28Å; V437-I452 HydrophobicContact CG2-CD1 4.39Å
438	L	69.3	Low	74.8	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-35.4	-175	-58.8	-178.6	0	0	0	111.8	L431 D434 I435 L654 I657 R658 I734	L431-L438 HydrophobicContact CB-CD1 4.21Å; L431-L438 HydrophobicContact CD2-CD1 3.84Å; D434-L438 PolarHBondContact O-N 3.15Å; I435-L438 PolarHBondContact O-N 2.86Å; L438-L654 HydrophobicContact CD2-CD1 4.37Å; L438-I657 HydrophobicContact CD2-CB 4.19Å; L438-I657 HydrophobicContact CD2-CG2 3.38Å; L438-R658 PolarHBondContact O-NE 3.39Å; L438-R658 VanDerWaalsContact O-NE 3.13Å; L438-R658 PolarHBondContact O-NH2 3.16Å; L438-I734 HydrophobicContact CB-CD1 4.5Å
439	N	73.3	Confident	74.5	Confident	26 Å²	26	63 Å²	63	14%	0.139	33%	0.329	C	S	.	.	H	α-helix	trans	-93.3	-10	-179.8	-68.1	-17.7	0	0	0	113.7	I435 V437 W733 I734	I435-N439 PolarHBondContact O-N 3.14Å; I435-N439 VanDerWaalsContact O-N 3.1Å; V437-N439 PolarHBondContact O-N 3.09Å; N439-W733 HydrophobicContact CB-CE3 4.48Å; N439-W733 HydrophobicContact CB-CZ3 4.33Å; N439-I734 PolarHBondContact ND2-O 3Å; N439-I734 PolarHBondContact OD1-N 2.89Å
440	S	66.2	Low	74.3	Confident	45 Å²	45	61.1 Å²	61.1	32%	0.315	32%	0.323	S	S	.	.			trans	-78.7	131.1	178.9	-176.2	0	0	0	0	111.9	D436 V437	D436-S440 WeakPolarHBondContact O-CB 3.42Å; D436-S440 PolarHBondContact O-N 2.9Å; D436-S440 VanDerWaalsContact O-N 3.08Å; V437-S440 PolarHBondContact O-N 3.47Å
441	S	58.5	Low	74.1	Confident	102 Å²	102	63.3 Å²	63.3	71%	0.713	34%	0.335	S	S	*	.	S	Bend	trans	-95.7	-6	-170.6	47.1	0	0	0	0	115.8
442	G	55.9	Low	74.1	Confident	64 Å²	64	63.4 Å²	63.4	66%	0.66	34%	0.335	S	S	*	.	S	Bend	trans	-148.9	-34.1	-168.8	0	0	0	0	0	119.8
443	K	57.8	Low	74.4	Confident	210 Å²	210	60.8 Å²	60.8	91%	0.913	32%	0.323	S	S	*	.			trans	-113.6	65	-173.8	-68.1	-173.5	-179.7	-179.8	0	111.8
444	M	63.8	Low	74.8	Confident	28 Å²	28	60.2 Å²	60.2	14%	0.138	32%	0.322	C	S	.	.			trans	-101.8	131.6	-179	-65.3	-178.8	-76.6	0	0	112.8	V437 L449 K650 L654	V437-M444 HydrophobicContact CG1-CG 4.27Å; V437-M444 HydrophobicContact CG1-SD 4.1Å; M444-L449 HydrophobicContact CB-CD1 4.38Å; M444-L449 HydrophobicContact SD-CD1 4.29Å; M444-L449 HydrophobicContact SD-CD2 4.39Å; M444-K650 PolarHBondContact O-NZ 2.83Å; M444-L654 HydrophobicContact CE-CD2 3.7Å; M444-L654 HydrophobicContact SD-CD1 4.04Å; M444-L654 HydrophobicContact SD-CD2 4.09Å
445	D	73.1	Confident	75.5	Confident	104 Å²	104	60.2 Å²	60.2	56%	0.556	32%	0.322	S	S	*	.			trans	-78	124.9	170.6	-170.7	-9.6	0	0	0	110.1	M447 R448 L449	D445-M447 PolarHBondContact O-N 2.86Å; D445-M447 WeakPolarHBondContact OD1-CB 3.47Å; D445-M447 PolarHBondContact OD1-N 2.64Å; D445-R448 HydrophobicContact CB-CB 4.33Å; D445-R448 PolarHBondContact O-N 3.03Å; D445-L449 PolarHBondContact O-N 3.18Å
446	K	78.7	Confident	76.3	Confident	79 Å²	79	58.5 Å²	58.5	34%	0.343	31%	0.313	S	S	.	.	H	α-helix	trans	-55.6	-37.4	177.3	-163.6	180	178.2	166.9	0	110.8	L449 L450 L648 K650 M653	K446-L449 PolarHBondContact O-N 3.13Å; K446-L450 HydrophobicContact CG-CD1 4.27Å; K446-L450 WeakPolarHBondContact O-CG 3.47Å; K446-L450 PolarHBondContact O-N 3.01Å; K446-L648 WeakPolarHBondContact CE-O 3.5Å; K446-L648 PolarHBondContact NZ-O 3.06Å; K446-K650 HydrophobicContact CB-CG 4.24Å; K446-K650 HydrophobicContact CG-CG 4.18Å; K446-M653 HydrophobicContact CG-CE 3.59Å
447	M	78.6	Confident	77.2	Confident	139 Å²	139	54.8 Å²	54.8	69%	0.685	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-39.6	-176.4	-164.7	66.8	170.6	0	0	111.5	D445 L450 N451	D445-M447 PolarHBondContact O-N 2.86Å; D445-M447 WeakPolarHBondContact OD1-CB 3.47Å; D445-M447 PolarHBondContact OD1-N 2.64Å; M447-L450 PolarHBondContact O-N 3.45Å; M447-N451 PolarHBondContact O-N 3.35Å
448	R	80.7	Confident	78.1	Confident	92 Å²	92	56.3 Å²	56.3	35%	0.347	30%	0.298	S	S	.	.	H	α-helix	trans	-67.1	-43.4	177.8	-165.7	174.6	174.8	-161.4	-7.7	111.3	D434 D436 V437 D445 N451 I452	D434-R448 IonicContact OD1-CZ 3.4Å; D434-R448 VanDerWaalsContact OD1-CZ 3.29Å; D434-R448 IonicContact OD1-NE 3.95Å; D434-R448 PolarHBondContact OD1-NE 2.81Å; D434-R448 IonicContact OD1-NH2 2.81Å; D434-R448 PolarHBondContact OD1-NH2 3.04Å; D436-R448 IonicContact OD1-CZ 2.63Å; D436-R448 IonicContact OD1-NH1 3.26Å; D436-R448 IonicContact OD1-NH2 3.8Å; D436-R448 PolarHBondContact OD1-NH2 2.92Å; D436-R448 IonicContact OD2-CZ 3Å; D436-R448 IonicContact OD2-NH1 3.9Å; D436-R448 PolarHBondContact OD2-NH1 3.01Å; D436-R448 IonicContact OD2-NH2 3.3Å; D436-R448 PolarHBondContact OD2-NH2 3.33Å; V437-R448 HydrophobicContact CG2-CG 4.36Å; V437-R448 VanDerWaalsContact CG2-NH2 3.25Å; D445-R448 HydrophobicContact CB-CB 4.33Å; D445-R448 PolarHBondContact O-N 3.03Å; R448-N451 WeakPolarHBondContact O-CB 3.13Å; R448-N451 PolarHBondContact O-N 3.08Å; R448-I452 WeakPolarHBondContact O-CG1 3.48Å; R448-I452 PolarHBondContact O-N 3.25Å
449	L	82.6	Confident	79.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-43.1	175.7	-69.8	173.4	0	0	0	112.5	V437 M444 D445 K446 N451 I452 L453 K650 M653 L654 I657	V437-L449 HydrophobicContact CG1-CD2 3.74Å; V437-L449 HydrophobicContact CG1-CG 4.47Å; M444-L449 HydrophobicContact CB-CD1 4.38Å; M444-L449 HydrophobicContact SD-CD1 4.29Å; M444-L449 HydrophobicContact SD-CD2 4.39Å; D445-L449 PolarHBondContact O-N 3.18Å; K446-L449 PolarHBondContact O-N 3.13Å; L449-N451 VanDerWaalsContact C-N 3.28Å; L449-N451 PolarHBondContact O-N 3.45Å; L449-I452 PolarHBondContact O-N 2.9Å; L449-L453 WeakPolarHBondContact O-CG 3.38Å; L449-L453 PolarHBondContact O-N 3.24Å; L449-K650 HydrophobicContact CD1-CB 4.29Å; L449-M653 HydrophobicContact CB-CB 4.35Å; L449-M653 HydrophobicContact CB-CE 4.07Å; L449-M653 HydrophobicContact CB-SD 4.42Å; L449-M653 HydrophobicContact CD1-CB 4.36Å; L449-M653 HydrophobicContact CD1-CE 4.17Å; L449-L654 HydrophobicContact CD2-CD1 4.3Å; L449-I657 HydrophobicContact CD2-CD1 3.88Å
450	L	82.3	Confident	80.4	Confident	71 Å²	71	55 Å²	55	37%	0.372	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-37.3	175.1	-75.3	170.9	0	0	0	112	K446 M447 M454 M653	K446-L450 HydrophobicContact CG-CD1 4.27Å; K446-L450 WeakPolarHBondContact O-CG 3.47Å; K446-L450 PolarHBondContact O-N 3.01Å; M447-L450 PolarHBondContact O-N 3.45Å; L450-M454 WeakPolarHBondContact O-CB 3.36Å; L450-M454 PolarHBondContact O-N 2.94Å; L450-M653 HydrophobicContact CD2-SD 3.52Å; L450-M653 VanDerWaalsContact CD2-SD 3.52Å; L450-M653 HydrophobicContact CG-CE 4.46Å; L450-M653 HydrophobicContact CG-SD 3.81Å
451	N	84.3	Confident	81.7	Confident	63 Å²	63	52.9 Å²	52.9	34%	0.337	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-47.4	174.9	-170.9	13.4	0	0	0	111.3	M447 R448 L449 L453 M454 Q455	M447-N451 PolarHBondContact O-N 3.35Å; R448-N451 WeakPolarHBondContact O-CB 3.13Å; R448-N451 PolarHBondContact O-N 3.08Å; L449-N451 VanDerWaalsContact C-N 3.28Å; L449-N451 PolarHBondContact O-N 3.45Å; N451-L453 PolarHBondContact O-N 3.27Å; N451-M454 WeakPolarHBondContact O-CB 3.06Å; N451-M454 PolarHBondContact O-N 3.25Å; N451-M454 VanDerWaalsContact O-N 3.09Å; N451-Q455 WeakPolarHBondContact O-CG 3.32Å; N451-Q455 PolarHBondContact O-N 2.93Å; N451-Q455 PolarHBondContact OD1-NE2 3.48Å
452	I	87.1	Confident	83.5	Confident	3 Å²	3	48 Å²	48	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-50.6	176.7	-64.4	163.8	0	0	0	110.1	D434 V437 R448 L449 M454 Q455 L456 I657	D434-I452 HydrophobicContact CB-CD1 3.56Å; D434-I452 HydrophobicContact CB-CG1 4.01Å; V437-I452 HydrophobicContact CB-CD1 4.33Å; V437-I452 HydrophobicContact CG1-CD1 4.28Å; V437-I452 HydrophobicContact CG2-CD1 4.39Å; R448-I452 WeakPolarHBondContact O-CG1 3.48Å; R448-I452 PolarHBondContact O-N 3.25Å; L449-I452 PolarHBondContact O-N 2.9Å; I452-M454 VanDerWaalsContact C-N 3.26Å; I452-M454 PolarHBondContact O-N 2.76Å; I452-Q455 PolarHBondContact O-N 3.12Å; I452-Q455 VanDerWaalsContact O-N 3.07Å; I452-L456 HydrophobicContact CG2-CD1 3.87Å; I452-L456 HydrophobicContact CG2-CG 4.21Å; I452-L456 WeakPolarHBondContact O-CG 3.36Å; I452-L456 PolarHBondContact O-N 2.86Å; I452-I657 HydrophobicContact CB-CD1 4.21Å; I452-I657 HydrophobicContact CG2-CD1 3.9Å; I452-I657 HydrophobicContact CG2-CG1 4.34Å; I452-I657 HydrophobicContact CG2-CG2 4.21Å
453	L	87.7	Confident	85.3	Confident	1 Å²	1	45 Å²	45	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-54.4	-43.1	176	-79.3	168.6	0	0	0	112.1	L449 N451 L456 R457 W584 V616 M653 M656 I657	L449-L453 WeakPolarHBondContact O-CG 3.38Å; L449-L453 PolarHBondContact O-N 3.24Å; N451-L453 PolarHBondContact O-N 3.27Å; L453-L456 PolarHBondContact O-N 2.89Å; L453-R457 WeakPolarHBondContact O-CG 3.39Å; L453-R457 PolarHBondContact O-N 3.41Å; L453-W584 HydrophobicContact CD1-CH2 4.04Å; L453-W584 HydrophobicContact CD1-CZ2 4.32Å; L453-W584 HydrophobicContact CD2-CH2 4.36Å; L453-V616 HydrophobicContact CD2-CB 4.03Å; L453-V616 HydrophobicContact CD2-CG1 3.79Å; L453-M653 HydrophobicContact CD1-CB 3.8Å; L453-M653 HydrophobicContact CD1-CG 3.61Å; L453-M653 HydrophobicContact CD1-SD 3.81Å; L453-M656 HydrophobicContact CD1-CE 4.14Å; L453-M656 HydrophobicContact CD2-CE 4.29Å; L453-I657 HydrophobicContact CD2-CD1 4.34Å; L453-I657 HydrophobicContact CD2-CG1 3.71Å; L453-I657 HydrophobicContact CG-CD1 4.05Å; L453-I657 HydrophobicContact CG-CG1 3.97Å
454	M	90.3	Very high	87	Confident	83 Å²	83	35.8 Å²	35.8	41%	0.409	17%	0.171	S	C	.	.	H	α-helix	trans	-63.1	-42.4	177.2	-175.1	59.4	68.1	0	0	112.2	L450 N451 I452 R457 K458 M511	L450-M454 WeakPolarHBondContact O-CB 3.36Å; L450-M454 PolarHBondContact O-N 2.94Å; N451-M454 WeakPolarHBondContact O-CB 3.06Å; N451-M454 PolarHBondContact O-N 3.25Å; N451-M454 VanDerWaalsContact O-N 3.09Å; I452-M454 VanDerWaalsContact C-N 3.26Å; I452-M454 PolarHBondContact O-N 2.76Å; M454-R457 PolarHBondContact O-N 3.17Å; M454-K458 WeakPolarHBondContact O-CG 3.42Å; M454-K458 PolarHBondContact O-N 3.24Å; M454-M511 HydrophobicContact SD-CE 3.8Å
455	Q	90.8	Very high	88.5	Confident	22 Å²	22	34.8 Å²	34.8	10%	0.103	17%	0.166	C	C	.	.	H	α-helix	trans	-66.7	-42.5	176.9	-56.7	-52.1	-29.9	0	0	111.7	I430 N451 I452 R457 K458 C459 F466	I430-Q455 HydrophobicContact CD1-CB 4Å; I430-Q455 HydrophobicContact CG1-CB 4.28Å; I430-Q455 HydrophobicContact CG2-CB 3.89Å; N451-Q455 WeakPolarHBondContact O-CG 3.32Å; N451-Q455 PolarHBondContact O-N 2.93Å; N451-Q455 PolarHBondContact OD1-NE2 3.48Å; I452-Q455 PolarHBondContact O-N 3.12Å; I452-Q455 VanDerWaalsContact O-N 3.07Å; Q455-R457 VanDerWaalsContact C-N 3.28Å; Q455-R457 PolarHBondContact O-N 3.06Å; Q455-K458 WeakPolarHBondContact O-CB 3.39Å; Q455-K458 PolarHBondContact O-N 3.45Å; Q455-K458 VanDerWaalsContact O-N 3.14Å; Q455-C459 PolarHBondContact O-N 3.09Å; Q455-F466 HydrophobicContact CB-CE1 4.38Å; Q455-F466 WeakPolarHBondContact O-CZ 3.48Å; Q455-F466 VanDerWaalsContact OE1-CE1 3.31Å
456	L	92.4	Very high	89.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-39.5	176.9	-64.3	176.4	0	0	0	111.1	Y427 I430 L431 I452 L453 C459 C460 V616 I657	Y427-L456 HydrophobicContact CD1-CD2 3.9Å; Y427-L456 HydrophobicContact CD2-CD2 3.83Å; Y427-L456 HydrophobicContact CE1-CD2 3.78Å; Y427-L456 HydrophobicContact CE2-CB 3.86Å; Y427-L456 HydrophobicContact CE2-CD2 3.69Å; Y427-L456 HydrophobicContact CE2-CG 4.24Å; Y427-L456 HydrophobicContact CG-CD2 3.94Å; I430-L456 HydrophobicContact CB-CD2 4Å; I430-L456 HydrophobicContact CD1-CD2 4.43Å; I430-L456 HydrophobicContact CG2-CD2 3.61Å; I430-L456 HydrophobicContact CG2-CG 4.11Å; L431-L456 HydrophobicContact CD2-CD1 4.06Å; L431-L456 HydrophobicContact CD2-CD2 4.12Å; L431-L456 HydrophobicContact CG-CD2 4.21Å; I452-L456 HydrophobicContact CG2-CD1 3.87Å; I452-L456 HydrophobicContact CG2-CG 4.21Å; I452-L456 WeakPolarHBondContact O-CG 3.36Å; I452-L456 PolarHBondContact O-N 2.86Å; L453-L456 PolarHBondContact O-N 2.89Å; L456-C459 WeakPolarHBondContact O-CB 3.32Å; L456-C459 PolarHBondContact O-N 3.33Å; L456-C460 PolarHBondContact O-N 3.45Å; L456-C460 PolarHBondContact O-SG 2.92Å; L456-V616 HydrophobicContact CB-CG1 4.33Å; L456-V616 HydrophobicContact CB-CG2 3.74Å; L456-V616 HydrophobicContact CD1-CG1 3.68Å; L456-I657 HydrophobicContact CD1-CG1 4.21Å; L456-I657 HydrophobicContact CD1-CG2 3.85Å
457	R	93.6	Very high	89.7	Confident	10 Å²	10	30.1 Å²	30.1	4%	0.038	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-44.4	171.9	-74.8	-175.5	65.9	158.3	2.2	113	L453 M454 Q455 C459 C460 N461 M511 S582 W584 V616 I620	L453-R457 WeakPolarHBondContact O-CG 3.39Å; L453-R457 PolarHBondContact O-N 3.41Å; M454-R457 PolarHBondContact O-N 3.17Å; Q455-R457 VanDerWaalsContact C-N 3.28Å; Q455-R457 PolarHBondContact O-N 3.06Å; R457-C459 VanDerWaalsContact C-N 3.26Å; R457-C459 PolarHBondContact O-N 3.38Å; R457-C460 PolarHBondContact O-N 3.31Å; R457-N461 PolarHBondContact O-N 3.16Å; R457-M511 HydrophobicContact CB-CE 4.03Å; R457-S582 PolarHBondContact NH1-O 3.08Å; R457-S582 PolarHBondContact NH2-O 2.74Å; R457-W584 VanDerWaalsContact NH1-NE1 3.13Å; R457-V616 HydrophobicContact CG-CG2 4.25Å; R457-I620 HydrophobicContact CG-CD1 4.05Å
458	K	94.4	Very high	90	Very high	39 Å²	39	26.9 Å²	26.9	17%	0.17	15%	0.146	C	C	.	.	H	α-helix	trans	-56.7	-44.7	174.3	-73.6	179.1	-179.9	-172.5	0	110.9	M454 Q455 C460 N461 H462 L465 F466 M511	M454-K458 WeakPolarHBondContact O-CG 3.42Å; M454-K458 PolarHBondContact O-N 3.24Å; Q455-K458 WeakPolarHBondContact O-CB 3.39Å; Q455-K458 PolarHBondContact O-N 3.45Å; Q455-K458 VanDerWaalsContact O-N 3.14Å; K458-C460 PolarHBondContact O-N 2.68Å; K458-N461 WeakPolarHBondContact O-CB 3.32Å; K458-N461 PolarHBondContact O-N 3.22Å; K458-N461 VanDerWaalsContact O-N 3.16Å; K458-H462 CarbonylContact O-C 3.6Å; K458-H462 PolarHBondContact O-N 2.88Å; K458-H462 VanDerWaalsContact O-O 3.07Å; K458-L465 HydrophobicContact CB-CB 4.09Å; K458-L465 HydrophobicContact CB-CD1 4.07Å; K458-L465 HydrophobicContact CD-CB 4.46Å; K458-L465 HydrophobicContact CG-CB 4.34Å; K458-L465 HydrophobicContact CG-CD1 4.25Å; K458-F466 HydrophobicContact CB-CE1 4.21Å; K458-F466 HydrophobicContact CB-CE2 4.34Å; K458-F466 HydrophobicContact CB-CZ 3.76Å; K458-F466 HydrophobicContact CD-CE1 4.32Å; K458-M511 HydrophobicContact CG-CE 3.73Å; K458-M511 HydrophobicContact CG-SD 3.78Å
459	C	94.3	Very high	90.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-44.4	177.9	-171.4	0	0	0	0	112.8	Q423 Y427 I430 Q455 L456 R457 N461 F466	Q423-C459 WeakPolarHBondContact CG-O 2.71Å; Q423-C459 PolarHBondContact NE2-O 2.79Å; Q423-C459 PolarHBondContact O-SG 2.92Å; Y427-C459 HydrophobicContact CD2-CB 4.25Å; Y427-C459 PolarHBondContact N-SG 3.32Å; Y427-C459 VanDerWaalsContact N-SG 3.37Å; I430-C459 HydrophobicContact CD1-CB 3.97Å; Q455-C459 PolarHBondContact O-N 3.09Å; L456-C459 WeakPolarHBondContact O-CB 3.32Å; L456-C459 PolarHBondContact O-N 3.33Å; R457-C459 VanDerWaalsContact C-N 3.26Å; R457-C459 PolarHBondContact O-N 3.38Å; C459-N461 VanDerWaalsContact C-N 3.26Å; C459-N461 PolarHBondContact O-N 3.28Å; C459-F466 HydrophobicContact CB-CE2 3.8Å; C459-F466 HydrophobicContact CB-CZ 3.96Å
460	C	94.8	Very high	90.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-32.5	174.8	-63.7	0	0	0	0	112.7	Q423 L456 R457 K458 K487 T612 E617	Q423-C460 PolarHBondContact NE2-O 3.06Å; L456-C460 PolarHBondContact O-N 3.45Å; L456-C460 PolarHBondContact O-SG 2.92Å; R457-C460 PolarHBondContact O-N 3.31Å; K458-C460 PolarHBondContact O-N 2.68Å; C460-K487 WeakPolarHBondContact O-CD 3.43Å; C460-K487 WeakPolarHBondContact O-CE 3.37Å; C460-T612 WeakPolarHBondContact CB-OG1 3.44Å; C460-E617 HydrophobicContact CB-CG 3.93Å
461	N	94.9	Very high	90.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-73.9	-61	177.4	-83.2	-7.6	0	0	0	112.9	R457 K458 C459 L465 S485 K487 L514 Y580 D581	R457-N461 PolarHBondContact O-N 3.16Å; K458-N461 WeakPolarHBondContact O-CB 3.32Å; K458-N461 PolarHBondContact O-N 3.22Å; K458-N461 VanDerWaalsContact O-N 3.16Å; C459-N461 VanDerWaalsContact C-N 3.26Å; C459-N461 PolarHBondContact O-N 3.28Å; N461-L465 HydrophobicContact CB-CD1 3.8Å; N461-S485 PolarHBondContact O-OG 3.39Å; N461-K487 PolarHBondContact OD1-NZ 3.47Å; N461-L514 HydrophobicContact CB-CD1 4.34Å; N461-L514 HydrophobicContact CB-CD2 3.91Å; N461-Y580 HydrophobicContact CB-CE1 4.18Å; N461-Y580 PolarHBondContact O-OH 2.83Å; N461-D581 PolarHBondContact ND2-OD2 3.12Å; N461-D581 WeakPolarHBondContact OD1-CB 3.47Å
462	H	96.1	Very high	90.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.154	C	C	.	.			trans	-166.8	134.9	177.2	-158.2	-87.4	0	0	0	111.3	K458 Y464 L465 I481 S485 L514 I517	K458-H462 CarbonylContact O-C 3.6Å; K458-H462 PolarHBondContact O-N 2.88Å; K458-H462 VanDerWaalsContact O-O 3.07Å; H462-Y464 AromaticContact CE1-CD1 3.63Å; H462-Y464 AromaticContact CE1-CD2 3.35Å; H462-Y464 WeakPolarHBondContact CE1-CD2 3.46Å; H462-Y464 AromaticContact CE1-CE1 3.89Å; H462-Y464 AromaticContact CE1-CE2 3.64Å; H462-Y464 AromaticContact CE1-CG 3.31Å; H462-Y464 AromaticContact CE1-CZ 3.88Å; H462-Y464 VanDerWaalsContact ND1-CB 3.34Å; H462-Y464 WeakPolarHBondContact ND1-CB 3.5Å; H462-Y464 AromaticContact ND1-CD1 3.82Å; H462-Y464 AromaticContact ND1-CD2 3.73Å; H462-Y464 AromaticContact ND1-CG 3.34Å; H462-Y464 VanDerWaalsContact ND1-CG 3.34Å; H462-Y464 PolarHBondContact ND1-N 3.49Å; H462-Y464 PolarHBondContact O-N 3.2Å; H462-L465 HydrophobicContact CB-CG 4.42Å; H462-L465 WeakPolarHBondContact O-CB 3.44Å; H462-L465 WeakPolarHBondContact O-CG 3.43Å; H462-L465 PolarHBondContact O-N 2.97Å; H462-I481 PolarHBondContact NE2-O 2.96Å; H462-S485 WeakPolarHBondContact CD2-CB 3.34Å; H462-L514 HydrophobicContact CB-CD1 4.09Å; H462-I517 HydrophobicContact CB-CD1 3.82Å
463	P	94.3	Very high	89.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-59	-28.3	175.5	-26.7	36.2	0	0	0	114.9	M422 Q423 L465 F466 A469 N484	M422-P463 HydrophobicContact CB-CG 4.26Å; M422-P463 HydrophobicContact CE-CB 3.56Å; M422-P463 HydrophobicContact CE-CG 4.45Å; M422-P463 HydrophobicContact CG-CB 3.92Å; M422-P463 HydrophobicContact CG-CG 3.92Å; M422-P463 HydrophobicContact SD-CB 3.72Å; M422-P463 HydrophobicContact SD-CG 3.99Å; Q423-P463 HydrophobicContact CB-CG 4.45Å; Q423-P463 HydrophobicContact CG-CG 3.57Å; P463-L465 PolarHBondContact O-N 2.76Å; P463-L465 VanDerWaalsContact O-N 3.08Å; P463-F466 WeakPolarHBondContact O-CB 3.5Å; P463-F466 WeakPolarHBondContact O-CD2 3.5Å; P463-F466 PolarHBondContact O-N 3.26Å; P463-A469 HydrophobicContact CB-CB 4.39Å; P463-A469 WeakPolarHBondContact O-CB 3.24Å; P463-N484 WeakPolarHBondContact CD-O 3.3Å; P463-N484 WeakPolarHBondContact CG-O 3.3Å
464	Y	93.5	Very high	89.3	Confident	18 Å²	18	34.8 Å²	34.8	7%	0.071	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-70.2	-4.1	-179.7	-57.1	-6.7	0	0	0	113.8	M422 H462 F466 A469 E470 P471 H480 I481 N484	M422-Y464 HydrophobicContact CE-CD1 4.32Å; M422-Y464 HydrophobicContact CE-CE1 4.05Å; M422-Y464 HydrophobicContact SD-CE1 4.11Å; H462-Y464 AromaticContact CE1-CD1 3.63Å; H462-Y464 AromaticContact CE1-CD2 3.35Å; H462-Y464 WeakPolarHBondContact CE1-CD2 3.46Å; H462-Y464 AromaticContact CE1-CE1 3.89Å; H462-Y464 AromaticContact CE1-CE2 3.64Å; H462-Y464 AromaticContact CE1-CG 3.31Å; H462-Y464 AromaticContact CE1-CZ 3.88Å; H462-Y464 VanDerWaalsContact ND1-CB 3.34Å; H462-Y464 WeakPolarHBondContact ND1-CB 3.5Å; H462-Y464 AromaticContact ND1-CD1 3.82Å; H462-Y464 AromaticContact ND1-CD2 3.73Å; H462-Y464 AromaticContact ND1-CG 3.34Å; H462-Y464 VanDerWaalsContact ND1-CG 3.34Å; H462-Y464 PolarHBondContact ND1-N 3.49Å; H462-Y464 PolarHBondContact O-N 3.2Å; Y464-F466 PolarHBondContact O-N 3.44Å; Y464-A469 HydrophobicContact CD1-CB 4.31Å; Y464-E470 HydrophobicContact CD1-CB 4.04Å; Y464-E470 HydrophobicContact CD1-CG 4.48Å; Y464-E470 HydrophobicContact CD2-CB 4.34Å; Y464-E470 HydrophobicContact CD2-CG 4.03Å; Y464-E470 HydrophobicContact CE1-CB 4.27Å; Y464-E470 HydrophobicContact CE1-CG 4.43Å; Y464-E470 HydrophobicContact CE2-CG 3.95Å; Y464-E470 HydrophobicContact CG-CB 4.12Å; Y464-E470 HydrophobicContact CG-CG 4.33Å; Y464-P471 WeakPolarHBondContact OH-CD 3.26Å; Y464-H480 AromaticContact CE2-CE1 3.9Å; Y464-H480 AromaticContact CE2-ND1 3.61Å; Y464-H480 AromaticContact CZ-ND1 3.54Å; Y464-H480 PolarHBondContact OH-ND1 2.89Å; Y464-H480 PolarHBondContact OH-O 3.14Å; Y464-I481 HydrophobicContact CE2-CG1 4.46Å; Y464-N484 PolarHBondContact OH-ND2 3.45Å
465	L	93.7	Very high	88.9	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.037	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-69.9	-8.6	164.9	-63.8	174.7	0	0	0	112.7	K458 N461 H462 P463 M511 R513 L514 I517	K458-L465 HydrophobicContact CB-CB 4.09Å; K458-L465 HydrophobicContact CB-CD1 4.07Å; K458-L465 HydrophobicContact CD-CB 4.46Å; K458-L465 HydrophobicContact CG-CB 4.34Å; K458-L465 HydrophobicContact CG-CD1 4.25Å; N461-L465 HydrophobicContact CB-CD1 3.8Å; H462-L465 HydrophobicContact CB-CG 4.42Å; H462-L465 WeakPolarHBondContact O-CB 3.44Å; H462-L465 WeakPolarHBondContact O-CG 3.43Å; H462-L465 PolarHBondContact O-N 2.97Å; P463-L465 PolarHBondContact O-N 2.76Å; P463-L465 VanDerWaalsContact O-N 3.08Å; L465-M511 HydrophobicContact CD1-SD 3.75Å; L465-R513 HydrophobicContact CD2-CB 3.58Å; L465-L514 HydrophobicContact CD2-CB 4.48Å; L465-I517 HydrophobicContact CD2-CD1 3.83Å; L465-I517 HydrophobicContact CG-CD1 3.99Å
466	F	92.6	Very high	88.6	Confident	22 Å²	22	39.9 Å²	39.9	10%	0.096	24%	0.242	C	C	.	.	S	Bend	trans	-105	135	170.4	-53.4	-73.8	0	0	0	110.8	W426 I430 Q455 K458 C459 P463 Y464 A469	W426-F466 HydrophobicContact CB-CE2 4.43Å; W426-F466 HydrophobicContact CD2-CB 4.47Å; W426-F466 AromaticContact CD2-CD2 3.92Å; W426-F466 HydrophobicContact CD2-CD2 3.92Å; W426-F466 HydrophobicContact CD2-CG 4.32Å; W426-F466 HydrophobicContact CE3-CB 3.93Å; W426-F466 HydrophobicContact CE3-CD1 4.24Å; W426-F466 AromaticContact CE3-CD2 3.63Å; W426-F466 HydrophobicContact CE3-CD2 3.63Å; W426-F466 HydrophobicContact CE3-CE2 4.21Å; W426-F466 AromaticContact CE3-CG 3.67Å; W426-F466 HydrophobicContact CE3-CG 3.67Å; W426-F466 HydrophobicContact CG-CD2 4.35Å; W426-F466 HydrophobicContact CH2-CB 3.63Å; W426-F466 HydrophobicContact CH2-CG 4.3Å; W426-F466 HydrophobicContact CZ2-CB 4.22Å; W426-F466 HydrophobicContact CZ3-CB 3.48Å; W426-F466 VanDerWaalsContact CZ3-CB 3.48Å; W426-F466 HydrophobicContact CZ3-CD1 4.15Å; W426-F466 HydrophobicContact CZ3-CD2 4.1Å; W426-F466 AromaticContact CZ3-CG 3.66Å; W426-F466 HydrophobicContact CZ3-CG 3.66Å; I430-F466 HydrophobicContact CD1-CE1 4.11Å; I430-F466 HydrophobicContact CD1-CE2 4.27Å; I430-F466 HydrophobicContact CD1-CZ 3.58Å; Q455-F466 HydrophobicContact CB-CE1 4.38Å; Q455-F466 WeakPolarHBondContact O-CZ 3.48Å; Q455-F466 VanDerWaalsContact OE1-CE1 3.31Å; K458-F466 HydrophobicContact CB-CE1 4.21Å; K458-F466 HydrophobicContact CB-CE2 4.34Å; K458-F466 HydrophobicContact CB-CZ 3.76Å; K458-F466 HydrophobicContact CD-CE1 4.32Å; C459-F466 HydrophobicContact CB-CE2 3.8Å; C459-F466 HydrophobicContact CB-CZ 3.96Å; P463-F466 WeakPolarHBondContact O-CB 3.5Å; P463-F466 WeakPolarHBondContact O-CD2 3.5Å; P463-F466 PolarHBondContact O-N 3.26Å; Y464-F466 PolarHBondContact O-N 3.44Å; F466-A469 HydrophobicContact CB-CB 4.18Å; F466-A469 WeakPolarHBondContact O-CB 3.31Å; F466-A469 PolarHBondContact O-N 3.2Å
467	D	84.7	Confident	88.2	Confident	62 Å²	62	43 Å²	43	33%	0.332	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	136.4	-179.8	-52.6	-29.4	0	0	0	110.4	A469 R513	D467-A469 PolarHBondContact O-N 2.9Å; D467-R513 IonicContact OD1-NH1 3.76Å; D467-R513 IonicContact OD1-NH2 3.93Å; D467-R513 PolarHBondContact OD1-NH2 3.21Å
468	G	84.6	Confident	87.9	Confident	72 Å²	72	45.5 Å²	45.5	74%	0.742	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	5.2	-176.1	0	0	0	0	0	114.9
469	A	88	Confident	87.7	Confident	10 Å²	10	48 Å²	48	8%	0.083	29%	0.288	C	S	.	.			trans	-75.6	-38.5	170.6	0	0	0	0	0	111.5	M422 W426 P463 Y464 F466 D467	M422-A469 VanDerWaalsContact CE-C 3.48Å; M422-A469 HydrophobicContact CE-CB 3.51Å; M422-A469 WeakPolarHBondContact CE-O 3.4Å; W426-A469 HydrophobicContact CH2-CB 4.31Å; W426-A469 HydrophobicContact CZ2-CB 3.53Å; P463-A469 HydrophobicContact CB-CB 4.39Å; P463-A469 WeakPolarHBondContact O-CB 3.24Å; Y464-A469 HydrophobicContact CD1-CB 4.31Å; F466-A469 HydrophobicContact CB-CB 4.18Å; F466-A469 WeakPolarHBondContact O-CB 3.31Å; F466-A469 PolarHBondContact O-N 3.2Å; D467-A469 PolarHBondContact O-N 2.9Å
470	E	87	Confident	87.6	Confident	67 Å²	67	49.1 Å²	49.1	31%	0.313	29%	0.293	S	S	.	.	S	Bend	trans	-62.1	130.7	-178.9	-168.8	176.9	172.7	0	0	111.8	Y464 G472 Y475	Y464-E470 HydrophobicContact CD1-CB 4.04Å; Y464-E470 HydrophobicContact CD1-CG 4.48Å; Y464-E470 HydrophobicContact CD2-CB 4.34Å; Y464-E470 HydrophobicContact CD2-CG 4.03Å; Y464-E470 HydrophobicContact CE1-CB 4.27Å; Y464-E470 HydrophobicContact CE1-CG 4.43Å; Y464-E470 HydrophobicContact CE2-CG 3.95Å; Y464-E470 HydrophobicContact CG-CB 4.12Å; Y464-E470 HydrophobicContact CG-CG 4.33Å; E470-G472 PolarHBondContact O-N 3.41Å; E470-Y475 HydrophobicContact CB-CD1 4.34Å; E470-Y475 HydrophobicContact CB-CE1 4.44Å; E470-Y475 HydrophobicContact CG-CD1 4.01Å
471	P	83.6	Confident	87.5	Confident	59 Å²	59	49.4 Å²	49.4	38%	0.383	30%	0.295	S	S	.	.			trans	-57.1	125.8	173	-22.7	33.2	0	0	0	110.9	Y464	Y464-P471 WeakPolarHBondContact OH-CD 3.26Å
472	G	79.8	Confident	87.4	Confident	43 Å²	43	49.7 Å²	49.7	44%	0.443	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	151.8	-176.3	178.7	0	0	0	0	0	112.1	E470 P474	E470-G472 PolarHBondContact O-N 3.41Å; G472-P474 WeakPolarHBondContact CA-O 3.49Å
473	P	72	Confident	87.2	Confident	110 Å²	110	52.6 Å²	52.6	71%	0.714	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	cis	-66.9	156.9	-8.6	-16.4	30.2	0	0	0	113.4
474	P	79.6	Confident	87.2	Confident	107 Å²	107	54 Å²	54	70%	0.695	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	cis	-72.1	143.2	-5.9	31.5	-34.2	0	0	0	111.2	G472	G472-P474 WeakPolarHBondContact CA-O 3.49Å
475	Y	82.1	Confident	87.2	Confident	145 Å²	145	53.2 Å²	53.2	57%	0.569	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	127.8	172.7	-57.3	-65.5	0	0	0	108.6	E470	E470-Y475 HydrophobicContact CB-CD1 4.34Å; E470-Y475 HydrophobicContact CB-CE1 4.44Å; E470-Y475 HydrophobicContact CG-CD1 4.01Å
476	T	84.8	Confident	87.2	Confident	66 Å²	66	52.9 Å²	52.9	41%	0.405	32%	0.32	S	S	.	.			trans	-128.1	151.2	-179	51.4	0	0	0	0	110.2	D478 H480	T476-D478 WeakPolarHBondContact CB-OD1 3.35Å; T476-D478 PolarHBondContact OG1-OD1 2.9Å; T476-H480 PolarHBondContact O-CE1 2.89Å; T476-H480 PolarHBondContact O-NE2 2.93Å
477	T	84.6	Confident	87.3	Confident	65 Å²	65	51.9 Å²	51.9	40%	0.399	32%	0.315	S	S	.	.			trans	-104.1	94	173.1	-47.5	0	0	0	0	108.6	I481 D520 W524	T477-I481 HydrophobicContact CG2-CD1 4.44Å; T477-D520 HydrophobicContact CG2-CB 3.96Å; T477-W524 HydrophobicContact CG2-CB 3.85Å; T477-W524 HydrophobicContact CG2-CG 4.35Å; T477-W524 VanDerWaalsContact O-CD1 3.26Å
478	D	86.7	Confident	87.8	Confident	63 Å²	63	49 Å²	49	34%	0.337	30%	0.3	S	S	.	.	S	Bend	trans	-142.7	-169.3	-178.1	55.6	-62.9	0	0	0	111.3	T476 H480 I481	T476-D478 WeakPolarHBondContact CB-OD1 3.35Å; T476-D478 PolarHBondContact OG1-OD1 2.9Å; D478-H480 PolarHBondContact O-N 3.42Å; D478-H480 IonicContact OD1-CD2 3.8Å; D478-H480 PolarHBondContact OD1-CD2 2.81Å; D478-H480 IonicContact OD1-CE1 3.71Å; D478-H480 IonicContact OD1-CG 2.74Å; D478-H480 IonicContact OD1-NE2 3.24Å; D478-H480 PolarHBondContact OD1-NE2 2.77Å; D478-H480 IonicContact OD2-CD2 3.78Å; D478-H480 PolarHBondContact OD2-CD2 3.11Å; D478-I481 VanDerWaalsContact O-CG2 3.24Å; D478-I481 WeakPolarHBondContact O-CG2 3.35Å; D478-I481 PolarHBondContact O-N 2.91Å
479	E	90.8	Very high	88.3	Confident	93 Å²	93	46.9 Å²	46.9	44%	0.435	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.7	-168.8	-163.1	69.8	-141.5	0	0	113.7	I481 V482 S483 W524 R525	E479-I481 PolarHBondContact O-N 3.2Å; E479-V482 WeakPolarHBondContact O-CA 3.25Å; E479-V482 WeakPolarHBondContact O-CB 3.46Å; E479-V482 PolarHBondContact O-N 3Å; E479-S483 PolarHBondContact O-N 3.32Å; E479-W524 HydrophobicContact CB-CH2 4.35Å; E479-W524 HydrophobicContact CB-CZ2 4.49Å; E479-W524 WeakPolarHBondContact OE2-CH2 3.31Å; E479-R525 IonicContact OE1-NH2 2.99Å; E479-R525 PolarHBondContact OE1-NH2 3.27Å; E479-R525 IonicContact OE2-NH1 2.86Å; E479-R525 IonicContact OE2-NH2 3.43Å
480	H	91.7	Very high	88.5	Confident	23 Å²	23	46.7 Å²	46.7	11%	0.106	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-23.9	177.3	69.7	61.9	0	0	0	114.1	Y464 T476 D478 V482 S483 N484	Y464-H480 AromaticContact CE2-CE1 3.9Å; Y464-H480 AromaticContact CE2-ND1 3.61Å; Y464-H480 AromaticContact CZ-ND1 3.54Å; Y464-H480 PolarHBondContact OH-ND1 2.89Å; Y464-H480 PolarHBondContact OH-O 3.14Å; T476-H480 PolarHBondContact O-CE1 2.89Å; T476-H480 PolarHBondContact O-NE2 2.93Å; D478-H480 PolarHBondContact O-N 3.42Å; D478-H480 IonicContact OD1-CD2 3.8Å; D478-H480 PolarHBondContact OD1-CD2 2.81Å; D478-H480 IonicContact OD1-CE1 3.71Å; D478-H480 IonicContact OD1-CG 2.74Å; D478-H480 IonicContact OD1-NE2 3.24Å; D478-H480 PolarHBondContact OD1-NE2 2.77Å; D478-H480 IonicContact OD2-CD2 3.78Å; D478-H480 PolarHBondContact OD2-CD2 3.11Å; H480-V482 PolarHBondContact O-N 3.02Å; H480-S483 WeakPolarHBondContact CA-OG 3.41Å; H480-N484 VanDerWaalsContact O-CB 3.27Å; H480-N484 WeakPolarHBondContact O-CB 3.28Å; H480-N484 PolarHBondContact O-N 3.13Å; H480-N484 PolarHBondContact O-ND2 3.11Å
481	I	92.4	Very high	89	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-28	173	-160.6	170.4	0	0	0	111.5	H462 Y464 T477 D478 E479 I517 D520 Y521 W524	H462-I481 PolarHBondContact NE2-O 2.96Å; Y464-I481 HydrophobicContact CE2-CG1 4.46Å; T477-I481 HydrophobicContact CG2-CD1 4.44Å; D478-I481 VanDerWaalsContact O-CG2 3.24Å; D478-I481 WeakPolarHBondContact O-CG2 3.35Å; D478-I481 PolarHBondContact O-N 2.91Å; E479-I481 PolarHBondContact O-N 3.2Å; I481-I517 HydrophobicContact CD1-CG2 3.9Å; I481-I517 WeakPolarHBondContact CD1-O 3.37Å; I481-I517 HydrophobicContact CG1-CG2 3.9Å; I481-D520 HydrophobicContact CD1-CB 3.97Å; I481-Y521 HydrophobicContact CG2-CD2 4.4Å; I481-W524 HydrophobicContact CG2-CE3 4.32Å; I481-W524 HydrophobicContact CG2-CZ3 4.33Å
482	V	93.3	Very high	89.5	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.03	24%	0.244	C	C	.	.	H	α-helix	trans	-89.3	-53.1	177.6	178.8	0	0	0	0	109.9	E479 H480 N484 S485 V489 D492 Y521 W524	E479-V482 WeakPolarHBondContact O-CA 3.25Å; E479-V482 WeakPolarHBondContact O-CB 3.46Å; E479-V482 PolarHBondContact O-N 3Å; H480-V482 PolarHBondContact O-N 3.02Å; V482-N484 PolarHBondContact O-N 3.11Å; V482-N484 VanDerWaalsContact O-N 3.14Å; V482-S485 PolarHBondContact O-N 3.36Å; V482-S485 VanDerWaalsContact O-O 3.11Å; V482-V489 HydrophobicContact CG1-CG2 4.18Å; V482-V489 WeakPolarHBondContact O-CG2 3.4Å; V482-D492 HydrophobicContact CG1-CB 3.79Å; V482-D492 HydrophobicContact CG2-CB 4.31Å; V482-Y521 HydrophobicContact CG2-CD2 3.87Å; V482-Y521 HydrophobicContact CG2-CE2 3.82Å; V482-W524 HydrophobicContact CG2-CZ3 3.88Å
483	S	92.2	Very high	90.2	Very high	62 Å²	62	42.4 Å²	42.4	43%	0.434	23%	0.234	S	C	.	.	H	α-helix	trans	-65.5	-22.9	-171.1	74	0	0	0	0	114	E479 H480	E479-S483 PolarHBondContact O-N 3.32Å; H480-S483 WeakPolarHBondContact CA-OG 3.41Å
484	N	92.7	Very high	91.3	Very high	30 Å²	30	37.2 Å²	37.2	16%	0.16	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.2	-179.4	-71.6	-49.2	0	0	0	114.4	S420 M422 Q423 P463 Y464 H480 V482	S420-N484 WeakPolarHBondContact CB-O 3.11Å; S420-N484 VanDerWaalsContact OG-C 3.28Å; S420-N484 PolarHBondContact OG-O 2.93Å; M422-N484 HydrophobicContact CB-CB 4.38Å; M422-N484 HydrophobicContact SD-CB 3.78Å; M422-N484 VanDerWaalsContact SD-CG 3.56Å; Q423-N484 WeakPolarHBondContact CG-O 3.44Å; P463-N484 WeakPolarHBondContact CD-O 3.3Å; P463-N484 WeakPolarHBondContact CG-O 3.3Å; Y464-N484 PolarHBondContact OH-ND2 3.45Å; H480-N484 VanDerWaalsContact O-CB 3.27Å; H480-N484 WeakPolarHBondContact O-CB 3.28Å; H480-N484 PolarHBondContact O-N 3.13Å; H480-N484 PolarHBondContact O-ND2 3.11Å; V482-N484 PolarHBondContact O-N 3.11Å; V482-N484 VanDerWaalsContact O-N 3.14Å
485	S	94.5	Very high	92.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.			trans	-137.9	125.7	173.8	173.4	0	0	0	0	112.2	N461 H462 V482 K487 M488 V489	N461-S485 PolarHBondContact O-OG 3.39Å; H462-S485 WeakPolarHBondContact CD2-CB 3.34Å; V482-S485 PolarHBondContact O-N 3.36Å; V482-S485 VanDerWaalsContact O-O 3.11Å; S485-K487 PolarHBondContact O-N 3.49Å; S485-K487 PolarHBondContact OG-N 3.11Å; S485-M488 PolarHBondContact O-N 3.28Å; S485-M488 PolarHBondContact OG-N 3.47Å; S485-V489 WeakPolarHBondContact O-CG2 3.43Å; S485-V489 PolarHBondContact O-N 3.44Å
486	G	92.7	Very high	92.7	Very high	1 Å²	1	27 Å²	27	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-58.1	-35.1	176.8	0	0	0	0	0	113.2	V490 L672	G486-V490 PolarHBondContact O-N 3.12Å; G486-L672 VanDerWaalsContact CA-CD2 3.44Å
487	K	95.5	Very high	93.2	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-66.9	-39.8	174	-67.3	-172.9	-175.3	-174.1	0	112.2	L417 C460 N461 S485 V490 L491 Y580 L610 T612 E617	L417-K487 HydrophobicContact CD1-CB 4.44Å; L417-K487 HydrophobicContact CD1-CG 4.06Å; C460-K487 WeakPolarHBondContact O-CD 3.43Å; C460-K487 WeakPolarHBondContact O-CE 3.37Å; N461-K487 PolarHBondContact OD1-NZ 3.47Å; S485-K487 PolarHBondContact O-N 3.49Å; S485-K487 PolarHBondContact OG-N 3.11Å; K487-V490 PolarHBondContact O-N 3.2Å; K487-L491 WeakPolarHBondContact O-CB 3.44Å; K487-L491 PolarHBondContact O-N 2.98Å; K487-Y580 HydrophobicContact CB-CE1 4.02Å; K487-Y580 HydrophobicContact CB-CE2 3.98Å; K487-Y580 WeakPolarHBondContact CB-OH 3.32Å; K487-Y580 HydrophobicContact CD-CD1 3.91Å; K487-Y580 HydrophobicContact CD-CE1 3.49Å; K487-Y580 VanDerWaalsContact CD-CE1 3.49Å; K487-Y580 HydrophobicContact CG-CE1 4.43Å; K487-Y580 PolarHBondContact NZ-O 3.41Å; K487-L610 HydrophobicContact CB-CD1 4.2Å; K487-L610 HydrophobicContact CD-CB 4.28Å; K487-L610 HydrophobicContact CG-CB 4.31Å; K487-L610 HydrophobicContact CG-CD1 4.48Å; K487-T612 WeakPolarHBondContact CE-OG1 3.47Å; K487-E617 WeakPolarHBondContact CE-OE2 3.26Å; K487-E617 IonicContact NZ-OE1 3.79Å; K487-E617 PolarHBondContact NZ-OE1 2.95Å; K487-E617 IonicContact NZ-OE2 3.63Å; K487-E617 PolarHBondContact NZ-OE2 3.45Å
488	M	95.7	Very high	93.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69	-39.8	177.9	-68.9	-61.2	-67.3	0	0	112	S485 V490 L491 D492 L518 Y521 Y580	S485-M488 PolarHBondContact O-N 3.28Å; S485-M488 PolarHBondContact OG-N 3.47Å; M488-V490 VanDerWaalsContact C-N 3.3Å; M488-V490 PolarHBondContact O-N 2.97Å; M488-L491 PolarHBondContact O-N 3.33Å; M488-L491 HydrophobicContact SD-CD2 4.07Å; M488-D492 VanDerWaalsContact O-CB 3.29Å; M488-D492 WeakPolarHBondContact O-CB 3.11Å; M488-D492 PolarHBondContact O-N 3.07Å; M488-L518 HydrophobicContact CE-CD2 4.13Å; M488-L518 HydrophobicContact SD-CD2 3.7Å; M488-Y521 HydrophobicContact CE-CD1 4.01Å; M488-Y521 HydrophobicContact CE-CD2 3.64Å; M488-Y521 HydrophobicContact CE-CE2 4.29Å; M488-Y521 HydrophobicContact CE-CG 3.47Å; M488-Y521 VanDerWaalsContact CE-CG 3.47Å; M488-Y580 WeakPolarHBondContact CG-OH 3.45Å; M488-Y580 HydrophobicContact SD-CE2 3.92Å; M488-Y580 PolarHBondContact SD-OH 3.26Å
489	V	94.1	Very high	94.1	Very high	28 Å²	28	25.3 Å²	25.3	17%	0.17	13%	0.133	C	C	.	.	H	α-helix	trans	-55	-46.7	174.5	173.6	0	0	0	0	111.3	V482 S485 K493 L672	V482-V489 HydrophobicContact CG1-CG2 4.18Å; V482-V489 WeakPolarHBondContact O-CG2 3.4Å; S485-V489 WeakPolarHBondContact O-CG2 3.43Å; S485-V489 PolarHBondContact O-N 3.44Å; V489-K493 PolarHBondContact O-N 3.44Å; V489-L672 HydrophobicContact CG2-CD1 4.27Å
490	V	93.6	Very high	94.3	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-75.4	-36.9	179.3	170.6	0	0	0	0	112.3	I415 L417 G486 K487 M488 D492 K493 L494 L610 I677 I680	I415-V490 HydrophobicContact CD1-CG1 4.49Å; I415-V490 HydrophobicContact CG2-CG1 4.2Å; L417-V490 HydrophobicContact CD1-CB 4.02Å; L417-V490 HydrophobicContact CD1-CG1 4.42Å; L417-V490 HydrophobicContact CD1-CG2 4.13Å; L417-V490 HydrophobicContact CD2-CB 3.94Å; L417-V490 HydrophobicContact CD2-CG1 4.15Å; L417-V490 HydrophobicContact CD2-CG2 3.27Å; L417-V490 HydrophobicContact CG-CG2 4.33Å; G486-V490 PolarHBondContact O-N 3.12Å; K487-V490 PolarHBondContact O-N 3.2Å; M488-V490 VanDerWaalsContact C-N 3.3Å; M488-V490 PolarHBondContact O-N 2.97Å; V490-D492 VanDerWaalsContact C-N 3.27Å; V490-D492 PolarHBondContact O-N 3.35Å; V490-K493 PolarHBondContact O-N 3.01Å; V490-L494 WeakPolarHBondContact O-CB 3.42Å; V490-L494 PolarHBondContact O-N 2.71Å; V490-L610 HydrophobicContact CG1-CD2 4.49Å; V490-I677 HydrophobicContact CG1-CD1 3.87Å; V490-I680 HydrophobicContact CG2-CD1 4.13Å
491	L	95.7	Very high	94.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-40	175.2	-173.6	69.5	0	0	0	111.2	K487 M488 L494 L495 I507 L518 I578 Y580	K487-L491 WeakPolarHBondContact O-CB 3.44Å; K487-L491 PolarHBondContact O-N 2.98Å; M488-L491 PolarHBondContact O-N 3.33Å; M488-L491 HydrophobicContact SD-CD2 4.07Å; L491-L494 PolarHBondContact O-N 3.26Å; L491-L495 HydrophobicContact CD1-CD1 3.98Å; L491-L495 HydrophobicContact CD1-CG 3.99Å; L491-L495 HydrophobicContact CD2-CD1 4.17Å; L491-L495 HydrophobicContact CG-CD1 3.69Å; L491-L495 HydrophobicContact CG-CG 4.09Å; L491-L495 VanDerWaalsContact O-CB 3.3Å; L491-L495 WeakPolarHBondContact O-CB 3.28Å; L491-L495 VanDerWaalsContact O-CG 3.25Å; L491-L495 WeakPolarHBondContact O-CG 3.41Å; L491-L495 PolarHBondContact O-N 2.76Å; L491-I507 HydrophobicContact CD1-CD1 4.29Å; L491-I507 HydrophobicContact CD2-CD1 4.48Å; L491-L518 HydrophobicContact CD2-CD2 3.44Å; L491-L518 VanDerWaalsContact CD2-CD2 3.44Å; L491-I578 HydrophobicContact CD1-CD1 3.65Å; L491-I578 HydrophobicContact CD1-CG2 4.18Å; L491-Y580 HydrophobicContact CD2-CD2 4.09Å; L491-Y580 HydrophobicContact CD2-CE2 3.9Å
492	D	95.6	Very high	94.3	Very high	25 Å²	25	33.8 Å²	33.8	13%	0.134	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-52.5	178.7	-173.9	61.8	0	0	0	112.1	V482 M488 V490 L494 L495 A496 Y521 R525	V482-D492 HydrophobicContact CG1-CB 3.79Å; V482-D492 HydrophobicContact CG2-CB 4.31Å; M488-D492 VanDerWaalsContact O-CB 3.29Å; M488-D492 WeakPolarHBondContact O-CB 3.11Å; M488-D492 PolarHBondContact O-N 3.07Å; V490-D492 VanDerWaalsContact C-N 3.27Å; V490-D492 PolarHBondContact O-N 3.35Å; D492-L494 VanDerWaalsContact C-N 3.32Å; D492-L494 PolarHBondContact O-N 3.22Å; D492-L495 PolarHBondContact O-N 3.05Å; D492-A496 PolarHBondContact O-N 2.98Å; D492-Y521 WeakPolarHBondContact CA-OH 3.45Å; D492-Y521 HydrophobicContact CB-CE2 4.25Å; D492-Y521 WeakPolarHBondContact OD1-CE2 3.23Å; D492-Y521 PolarHBondContact OD1-OH 3.16Å; D492-R525 IonicContact OD1-CZ 2.87Å; D492-R525 VanDerWaalsContact OD1-CZ 3.31Å; D492-R525 IonicContact OD1-NE 3.35Å; D492-R525 PolarHBondContact OD1-NE 3Å; D492-R525 IonicContact OD1-NH2 2.63Å; D492-R525 PolarHBondContact OD1-NH2 2.82Å; D492-R525 VanDerWaalsContact OD1-NH2 3.09Å; D492-R525 IonicContact OD2-CZ 2.66Å; D492-R525 IonicContact OD2-NE 3.45Å; D492-R525 IonicContact OD2-NH2 2.82Å; D492-R525 PolarHBondContact OD2-NH2 3.14Å
493	K	94.5	Very high	94.4	Very high	53 Å²	53	33.9 Å²	33.9	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-40.8	174.8	-65.5	180	176.6	-179.9	0	112	V489 V490 K497 D674 E675 I677	V489-K493 PolarHBondContact O-N 3.44Å; V490-K493 PolarHBondContact O-N 3.01Å; K493-K497 PolarHBondContact O-N 2.92Å; K493-D674 IonicContact NZ-OD1 3.35Å; K493-D674 PolarHBondContact NZ-OD1 2.88Å; K493-E675 PolarHBondContact NZ-O 2.85Å; K493-I677 HydrophobicContact CB-CB 4.05Å; K493-I677 HydrophobicContact CB-CD1 4.43Å; K493-I677 HydrophobicContact CB-CG1 4.4Å
494	L	94.9	Very high	94.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-68.3	-47.3	-178.8	-178.9	59.4	0	0	0	111.9	V490 L491 D492 A496 K497 L498 I578 F608 I677 L681	V490-L494 WeakPolarHBondContact O-CB 3.42Å; V490-L494 PolarHBondContact O-N 2.71Å; L491-L494 PolarHBondContact O-N 3.26Å; D492-L494 VanDerWaalsContact C-N 3.32Å; D492-L494 PolarHBondContact O-N 3.22Å; L494-A496 PolarHBondContact O-N 2.81Å; L494-K497 PolarHBondContact O-N 3.19Å; L494-L498 HydrophobicContact CD1-CD1 3.99Å; L494-L498 HydrophobicContact CD1-CG 4.05Å; L494-L498 HydrophobicContact CD2-CD1 4.46Å; L494-L498 HydrophobicContact CG-CD1 3.8Å; L494-L498 HydrophobicContact CG-CG 4.27Å; L494-L498 WeakPolarHBondContact O-CB 3.15Å; L494-L498 VanDerWaalsContact O-CG 3.22Å; L494-L498 WeakPolarHBondContact O-CG 3.42Å; L494-L498 PolarHBondContact O-N 3.01Å; L494-I578 HydrophobicContact CD2-CD1 3.82Å; L494-I578 HydrophobicContact CD2-CG1 4.4Å; L494-I578 HydrophobicContact CG-CD1 4.48Å; L494-F608 HydrophobicContact CD1-CE2 4.24Å; L494-F608 HydrophobicContact CD1-CZ 4.36Å; L494-F608 HydrophobicContact CD2-CB 4.29Å; L494-F608 HydrophobicContact CD2-CD2 3.97Å; L494-F608 HydrophobicContact CD2-CE2 4.49Å; L494-F608 HydrophobicContact CD2-CG 4.07Å; L494-I677 HydrophobicContact CB-CD1 4.15Å; L494-I677 HydrophobicContact CB-CG1 4.37Å; L494-I677 HydrophobicContact CD1-CG1 4.39Å; L494-L681 HydrophobicContact CD1-CD1 4.41Å
495	L	96.7	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-39	-177.9	-74.4	175.5	0	0	0	112.1	L491 D492 K497 L498 K499 V505 I507 Y521 Y527 F556 I557 I578	L491-L495 HydrophobicContact CD1-CD1 3.98Å; L491-L495 HydrophobicContact CD1-CG 3.99Å; L491-L495 HydrophobicContact CD2-CD1 4.17Å; L491-L495 HydrophobicContact CG-CD1 3.69Å; L491-L495 HydrophobicContact CG-CG 4.09Å; L491-L495 VanDerWaalsContact O-CB 3.3Å; L491-L495 WeakPolarHBondContact O-CB 3.28Å; L491-L495 VanDerWaalsContact O-CG 3.25Å; L491-L495 WeakPolarHBondContact O-CG 3.41Å; L491-L495 PolarHBondContact O-N 2.76Å; D492-L495 PolarHBondContact O-N 3.05Å; L495-K497 PolarHBondContact O-N 2.84Å; L495-L498 PolarHBondContact O-N 2.83Å; L495-K499 WeakPolarHBondContact O-CB 3.39Å; L495-K499 PolarHBondContact O-N 3.21Å; L495-V505 HydrophobicContact CD2-CB 4.4Å; L495-V505 HydrophobicContact CD2-CG1 4.07Å; L495-V505 HydrophobicContact CD2-CG2 4.23Å; L495-I507 HydrophobicContact CD1-CD1 4.36Å; L495-I507 HydrophobicContact CD2-CD1 4.41Å; L495-Y521 HydrophobicContact CD1-CE1 3.66Å; L495-Y527 HydrophobicContact CB-CE2 4.2Å; L495-Y527 HydrophobicContact CD1-CE2 4.43Å; L495-F556 HydrophobicContact CB-CE1 4.37Å; L495-F556 HydrophobicContact CD2-CE1 4.11Å; L495-F556 HydrophobicContact CD2-CZ 4.18Å; L495-F556 WeakPolarHBondContact O-CZ 3.49Å; L495-I557 HydrophobicContact CD1-CD1 3.89Å; L495-I557 HydrophobicContact CD2-CD1 4.06Å; L495-I557 HydrophobicContact CD2-CG1 4.41Å; L495-I578 HydrophobicContact CD2-CD1 4.22Å
496	A	94.9	Very high	94.9	Very high	38 Å²	38	31.4 Å²	31.4	31%	0.314	17%	0.166	S	C	.	.	H	α-helix	trans	-56.1	-52.3	174.4	0	0	0	0	0	111.1	D492 L494 L498 K499 E500	D492-A496 PolarHBondContact O-N 2.98Å; L494-A496 PolarHBondContact O-N 2.81Å; A496-L498 VanDerWaalsContact C-N 3.34Å; A496-L498 PolarHBondContact O-N 3.49Å; A496-K499 PolarHBondContact O-N 3.06Å; A496-E500 PolarHBondContact O-N 2.68Å; A496-E500 VanDerWaalsContact O-N 3.16Å
497	K	94.8	Very high	95.1	Very high	57 Å²	57	31.4 Å²	31.4	25%	0.248	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-37.9	177.5	-176.6	173.9	-176.9	176.1	0	113.2	K493 L494 L495 Q501 I677	K493-K497 PolarHBondContact O-N 2.92Å; L494-K497 PolarHBondContact O-N 3.19Å; L495-K497 PolarHBondContact O-N 2.84Å; K497-Q501 VanDerWaalsContact O-CG 3.31Å; K497-Q501 WeakPolarHBondContact O-CG 3.46Å; K497-Q501 PolarHBondContact O-N 3.29Å; K497-I677 HydrophobicContact CD-CG2 3.74Å
498	L	95.3	Very high	95.1	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-71.1	-33.5	178.9	-71	177.4	0	0	0	112.6	L494 L495 A496 Q501 G502 S503 V505 F556 V576 I578 R606	L494-L498 HydrophobicContact CD1-CD1 3.99Å; L494-L498 HydrophobicContact CD1-CG 4.05Å; L494-L498 HydrophobicContact CD2-CD1 4.46Å; L494-L498 HydrophobicContact CG-CD1 3.8Å; L494-L498 HydrophobicContact CG-CG 4.27Å; L494-L498 WeakPolarHBondContact O-CB 3.15Å; L494-L498 VanDerWaalsContact O-CG 3.22Å; L494-L498 WeakPolarHBondContact O-CG 3.42Å; L494-L498 PolarHBondContact O-N 3.01Å; L495-L498 PolarHBondContact O-N 2.83Å; A496-L498 VanDerWaalsContact C-N 3.34Å; A496-L498 PolarHBondContact O-N 3.49Å; L498-Q501 PolarHBondContact O-N 2.98Å; L498-G502 PolarHBondContact O-N 2.83Å; L498-S503 PolarHBondContact O-N 3.4Å; L498-S503 VanDerWaalsContact O-N 3.14Å; L498-V505 HydrophobicContact CB-CG2 4.22Å; L498-V505 HydrophobicContact CD1-CG2 3.85Å; L498-F556 HydrophobicContact CB-CE2 4.46Å; L498-F556 HydrophobicContact CB-CZ 4.12Å; L498-V576 HydrophobicContact CD1-CB 4.4Å; L498-V576 HydrophobicContact CD1-CG1 3.75Å; L498-V576 HydrophobicContact CD1-CG2 4.38Å; L498-V576 HydrophobicContact CD2-CG2 3.88Å; L498-I578 HydrophobicContact CD1-CD1 4.41Å; L498-R606 VanDerWaalsContact CD2-NH2 3.33Å
499	K	94.7	Very high	95	Very high	99 Å²	99	31.4 Å²	31.4	43%	0.43	17%	0.166	S	C	.	.	H	α-helix	trans	-66.9	-42.6	174.9	-169.9	172.3	-178.2	-175.1	0	111.2	L495 A496 Q501 G502 Y527 F556	L495-K499 WeakPolarHBondContact O-CB 3.39Å; L495-K499 PolarHBondContact O-N 3.21Å; A496-K499 PolarHBondContact O-N 3.06Å; K499-Q501 PolarHBondContact O-N 3.32Å; K499-G502 PolarHBondContact O-N 3.47Å; K499-Y527 HydrophobicContact CD-CD1 3.71Å; K499-Y527 HydrophobicContact CD-CE1 3.37Å; K499-F556 HydrophobicContact CB-CD1 4.44Å; K499-F556 HydrophobicContact CB-CE1 3.86Å; K499-F556 HydrophobicContact CB-CE2 4.06Å; K499-F556 HydrophobicContact CB-CZ 3.66Å; K499-F556 HydrophobicContact CD-CD1 4.3Å; K499-F556 HydrophobicContact CD-CE1 4.38Å; K499-F556 HydrophobicContact CG-CD1 4.43Å; K499-F556 HydrophobicContact CG-CE1 4.34Å; K499-F556 HydrophobicContact CG-CZ 4.4Å
500	E	93.9	Very high	94.8	Very high	166 Å²	166	32.1 Å²	32.1	78%	0.776	17%	0.168	S	C	*	.	H	α-helix	trans	-58.8	-33.7	173.7	-70.3	174.6	-179.8	0	0	112.5	A496 G502	A496-E500 PolarHBondContact O-N 2.68Å; A496-E500 VanDerWaalsContact O-N 3.16Å; E500-G502 PolarHBondContact O-N 3Å
501	Q	93.2	Very high	94.6	Very high	83 Å²	83	33 Å²	33	39%	0.388	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-7.3	176.2	-69.4	170.4	12.9	0	0	113.9	K497 L498 K499 S503	K497-Q501 VanDerWaalsContact O-CG 3.31Å; K497-Q501 WeakPolarHBondContact O-CG 3.46Å; K497-Q501 PolarHBondContact O-N 3.29Å; L498-Q501 PolarHBondContact O-N 2.98Å; K499-Q501 PolarHBondContact O-N 3.32Å; Q501-S503 PolarHBondContact O-N 2.94Å
502	G	92	Very high	94.3	Very high	51 Å²	51	36 Å²	36	53%	0.526	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	30.5	-172.8	0	0	0	0	0	112.9	L498 K499 E500	L498-G502 PolarHBondContact O-N 2.83Å; K499-G502 PolarHBondContact O-N 3.47Å; E500-G502 PolarHBondContact O-N 3Å
503	S	94.6	Very high	94.1	Very high	7 Å²	7	39.5 Å²	39.5	5%	0.049	20%	0.201	C	C	.	.			trans	-77.7	156.1	173.1	-75.7	0	0	0	0	110.8	L498 Q501 F556 D575 R606	L498-S503 PolarHBondContact O-N 3.4Å; L498-S503 VanDerWaalsContact O-N 3.14Å; Q501-S503 PolarHBondContact O-N 2.94Å; S503-F556 WeakPolarHBondContact O-CD2 3.3Å; S503-F556 WeakPolarHBondContact O-CE2 3.3Å; S503-D575 VanDerWaalsContact CA-OD1 3.26Å; S503-D575 WeakPolarHBondContact CA-OD1 3.13Å; S503-D575 WeakPolarHBondContact CB-OD1 3.45Å; S503-D575 WeakPolarHBondContact CB-OD2 3.3Å; S503-D575 PolarHBondContact OG-OD1 3Å; S503-D575 PolarHBondContact OG-OD2 3.4Å; S503-R606 PolarHBondContact OG-NH2 3.43Å
504	R	95.8	Very high	94	Very high	41 Å²	41	37 Å²	37	16%	0.155	19%	0.19	C	C	.	.			trans	-109.8	134.7	167	-77	-176.9	-171.2	168.1	4	109	F548 A550 A574 D575 V576	R504-F548 HydrophobicContact CB-CE2 4.26Å; R504-F548 HydrophobicContact CB-CZ 3.81Å; R504-F548 HydrophobicContact CG-CE2 4.48Å; R504-F548 HydrophobicContact CG-CZ 4.39Å; R504-F548 PolarHBondContact NH1-O 3.3Å; R504-A550 PolarHBondContact NH1-O 3.49Å; R504-A550 PolarHBondContact NH2-O 2.76Å; R504-A574 HydrophobicContact CB-CB 4.34Å; R504-A574 WeakPolarHBondContact O-CA 3.35Å; R504-A574 WeakPolarHBondContact O-CB 3.2Å; R504-D575 PolarHBondContact N-OD1 3.45Å; R504-D575 PolarHBondContact O-N 3.27Å; R504-V576 PolarHBondContact O-N 2.83Å
505	V	97.5	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.5	-166	-173.9	0	0	0	0	110.8	L495 L498 I507 F556 I557 F558 V576 I578	L495-V505 HydrophobicContact CD2-CB 4.4Å; L495-V505 HydrophobicContact CD2-CG1 4.07Å; L495-V505 HydrophobicContact CD2-CG2 4.23Å; L498-V505 HydrophobicContact CB-CG2 4.22Å; L498-V505 HydrophobicContact CD1-CG2 3.85Å; V505-I507 HydrophobicContact CG1-CG1 3.99Å; V505-F556 HydrophobicContact CG2-CD2 4.41Å; V505-F556 HydrophobicContact CG2-CE2 3.63Å; V505-F556 HydrophobicContact CG2-CZ 3.81Å; V505-F556 PolarHBondContact N-O 3.37Å; V505-I557 CarbonylContact O-C 3.57Å; V505-I557 WeakPolarHBondContact O-CA 3.45Å; V505-F558 PolarHBondContact O-N 3.2Å; V505-V576 WeakPolarHBondContact CA-O 3.19Å; V505-V576 HydrophobicContact CG1-CG1 4.28Å; V505-V576 HydrophobicContact CG2-CB 4.22Å; V505-I578 HydrophobicContact CG1-CD1 3.65Å; V505-I578 HydrophobicContact CG1-CG1 3.92Å
506	L	96.6	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.7	164.7	-51.8	-174.1	0	0	0	109.1	F508 F548 F558 L560 L571 A574 V576 V577 I578 R595 A596	L506-F508 HydrophobicContact CB-CD2 4.41Å; L506-F508 HydrophobicContact CB-CE2 3.77Å; L506-F508 HydrophobicContact CB-CZ 4.29Å; L506-F508 HydrophobicContact CD1-CE2 4.1Å; L506-F508 HydrophobicContact CD1-CZ 4.11Å; L506-F548 HydrophobicContact CD2-CE1 3.87Å; L506-F548 HydrophobicContact CD2-CZ 3.8Å; L506-F558 CarbonylContact C-O 3.58Å; L506-F558 WeakPolarHBondContact CA-O 3.11Å; L506-F558 HydrophobicContact CD2-CB 3.59Å; L506-F558 HydrophobicContact CD2-CG 4.37Å; L506-L560 HydrophobicContact CB-CD1 4.41Å; L506-L560 HydrophobicContact CD2-CD1 4.36Å; L506-L571 HydrophobicContact CD1-CB 3.95Å; L506-L571 HydrophobicContact CD1-CD1 4.06Å; L506-L571 HydrophobicContact CD2-CB 4.14Å; L506-L571 HydrophobicContact CD2-CD1 3.85Å; L506-A574 HydrophobicContact CD1-CB 4.07Å; L506-A574 HydrophobicContact CD2-CB 3.68Å; L506-A574 HydrophobicContact CG-CB 3.52Å; L506-V576 PolarHBondContact N-O 3.28Å; L506-V577 HydrophobicContact CB-CG2 4.4Å; L506-V577 HydrophobicContact CD1-CG2 4.27Å; L506-V577 CarbonylContact O-C 3.54Å; L506-V577 WeakPolarHBondContact O-CA 3.38Å; L506-I578 PolarHBondContact O-N 3.09Å; L506-R595 HydrophobicContact CD1-CB 4.3Å; L506-A596 HydrophobicContact CD1-CB 3.89Å
507	I	97.1	Very high	93.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.1	173	-54.8	178.5	0	0	0	108.3	L491 L495 V505 L518 I557 F558 M559 L560 I578	L491-I507 HydrophobicContact CD1-CD1 4.29Å; L491-I507 HydrophobicContact CD2-CD1 4.48Å; L495-I507 HydrophobicContact CD1-CD1 4.36Å; L495-I507 HydrophobicContact CD2-CD1 4.41Å; V505-I507 HydrophobicContact CG1-CG1 3.99Å; I507-L518 HydrophobicContact CG2-CD1 3.98Å; I507-I557 HydrophobicContact CD1-CG2 3.61Å; I507-I557 HydrophobicContact CG1-CG2 3.94Å; I507-F558 PolarHBondContact N-O 3.33Å; I507-M559 HydrophobicContact CB-CG 4.36Å; I507-M559 CarbonylContact O-C 3.55Å; I507-M559 WeakPolarHBondContact O-CA 3.01Å; I507-L560 PolarHBondContact O-N 3.31Å; I507-I578 WeakPolarHBondContact CA-O 3.49Å; I507-I578 HydrophobicContact CG1-CB 4.33Å; I507-I578 HydrophobicContact CG1-CD1 4.45Å
508	F	95.3	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.3	175.6	-65	-81.6	0	0	0	111.1	L506 L560 V577 I578 L579 Y580 A592 R595	L506-F508 HydrophobicContact CB-CD2 4.41Å; L506-F508 HydrophobicContact CB-CE2 3.77Å; L506-F508 HydrophobicContact CB-CZ 4.29Å; L506-F508 HydrophobicContact CD1-CE2 4.1Å; L506-F508 HydrophobicContact CD1-CZ 4.11Å; F508-L560 VanDerWaalsContact CA-O 3.3Å; F508-L560 WeakPolarHBondContact CA-O 3.29Å; F508-L560 HydrophobicContact CD1-CB 3.62Å; F508-L560 HydrophobicContact CD1-CD1 4.4Å; F508-L560 HydrophobicContact CE1-CB 3.56Å; F508-L560 HydrophobicContact CE1-CD1 3.82Å; F508-L560 HydrophobicContact CE1-CD2 4.1Å; F508-L560 HydrophobicContact CE1-CG 4.04Å; F508-L560 HydrophobicContact CZ-CD1 4.03Å; F508-V577 HydrophobicContact CD2-CG1 3.67Å; F508-V577 HydrophobicContact CE2-CG1 3.66Å; F508-I578 PolarHBondContact N-O 2.8Å; F508-L579 HydrophobicContact CB-CD2 3.85Å; F508-L579 HydrophobicContact CD2-CD2 3.9Å; F508-L579 HydrophobicContact CG-CD2 4.19Å; F508-Y580 WeakPolarHBondContact O-CB 3.45Å; F508-Y580 PolarHBondContact O-N 3.49Å; F508-A592 HydrophobicContact CD1-CB 3.83Å; F508-A592 HydrophobicContact CD2-CB 4.07Å; F508-A592 HydrophobicContact CE1-CB 3.75Å; F508-A592 HydrophobicContact CE2-CB 3.97Å; F508-A592 HydrophobicContact CG-CB 4Å; F508-A592 HydrophobicContact CZ-CB 3.81Å; F508-A592 WeakPolarHBondContact CZ-O 3.25Å; F508-R595 HydrophobicContact CZ-CG 4.3Å
509	S	94.4	Very high	93.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.3	167.9	172.3	0	0	0	0	111.1	M511 L514 L560 S561 T562 D581	S509-M511 VanDerWaalsContact C-N 3.33Å; S509-M511 PolarHBondContact OG-N 3.28Å; S509-M511 VanDerWaalsContact OG-N 3.11Å; S509-L514 WeakPolarHBondContact OG-CD2 3.34Å; S509-L560 PolarHBondContact N-O 3.34Å; S509-L560 VanDerWaalsContact N-O 3.13Å; S509-S561 CarbonylContact O-C 3.56Å; S509-S561 WeakPolarHBondContact O-CA 3.27Å; S509-T562 VanDerWaalsContact C-OG1 3.24Å; S509-T562 PolarHBondContact O-N 3.47Å; S509-T562 PolarHBondContact O-OG1 3.05Å; S509-D581 WeakPolarHBondContact CA-OD1 3.19Å; S509-D581 PolarHBondContact OG-OD2 3.03Å
510	Q	90.7	Very high	93.7	Very high	44 Å²	44	36.5 Å²	36.5	21%	0.206	19%	0.188	C	C	.	.	S	Bend	trans	-75.3	-21.2	173.6	-66.6	-67.5	-22	0	0	112.8	T562 D581 D583	Q510-T562 PolarHBondContact N-OG1 3.44Å; Q510-T562 PolarHBondContact NE2-OG1 3.27Å; Q510-D581 WeakPolarHBondContact CB-OD1 3.39Å; Q510-D581 WeakPolarHBondContact CG-OD1 3.48Å; Q510-D581 PolarHBondContact N-OD1 3.35Å; Q510-D581 PolarHBondContact N-OD2 3.44Å; Q510-D583 VanDerWaalsContact CD-OD2 3.3Å; Q510-D583 VanDerWaalsContact NE2-CG 3.32Å; Q510-D583 PolarHBondContact NE2-OD2 3.46Å; Q510-D583 PolarHBondContact OE1-OD2 2.74Å
511	M	88.3	Confident	93.8	Very high	24 Å²	24	28.6 Å²	28.6	12%	0.118	15%	0.151	C	C	.	.			trans	-108.4	117	-172.3	-61.3	-174.2	-174.5	0	0	111.1	M454 R457 K458 L465 S509 R513 L514 L515	M454-M511 HydrophobicContact SD-CE 3.8Å; R457-M511 HydrophobicContact CB-CE 4.03Å; K458-M511 HydrophobicContact CG-CE 3.73Å; K458-M511 HydrophobicContact CG-SD 3.78Å; L465-M511 HydrophobicContact CD1-SD 3.75Å; S509-M511 VanDerWaalsContact C-N 3.33Å; S509-M511 PolarHBondContact OG-N 3.28Å; S509-M511 VanDerWaalsContact OG-N 3.11Å; M511-R513 VanDerWaalsContact C-N 3.31Å; M511-R513 PolarHBondContact O-N 2.75Å; M511-L514 HydrophobicContact CB-CB 3.98Å; M511-L514 WeakPolarHBondContact O-CB 3.38Å; M511-L514 PolarHBondContact O-N 3.09Å; M511-L515 PolarHBondContact O-N 3.25Å
512	T	89.2	Confident	93.9	Very high	65 Å²	65	24.7 Å²	24.7	40%	0.399	13%	0.133	S	C	.	.	H	α-helix	trans	-62	-37.8	177.1	51.8	0	0	0	0	112.5	L514 L515 D516 D533	T512-L514 PolarHBondContact O-N 3.31Å; T512-L515 WeakPolarHBondContact O-CA 3.29Å; T512-L515 VanDerWaalsContact O-CB 3.23Å; T512-L515 WeakPolarHBondContact O-CB 3.32Å; T512-L515 PolarHBondContact O-N 3.31Å; T512-D516 PolarHBondContact O-N 2.59Å; T512-D533 HydrophobicContact CG2-CB 3.99Å
513	R	91.1	Very high	94	Very high	98 Å²	98	28 Å²	28	37%	0.37	14%	0.137	S	C	.	.	H	α-helix	trans	-60.7	-24.1	174.3	-73.5	-170.1	68.7	179.8	-0.5	114.1	L465 D467 M511 D516 I517	L465-R513 HydrophobicContact CD2-CB 3.58Å; D467-R513 IonicContact OD1-NH1 3.76Å; D467-R513 IonicContact OD1-NH2 3.93Å; D467-R513 PolarHBondContact OD1-NH2 3.21Å; M511-R513 VanDerWaalsContact C-N 3.31Å; M511-R513 PolarHBondContact O-N 2.75Å; R513-D516 WeakPolarHBondContact CA-OD2 3.46Å; R513-D516 WeakPolarHBondContact O-CB 3.27Å; R513-I517 PolarHBondContact O-N 2.64Å
514	L	94.2	Very high	93.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-77	-30.7	173.2	-178.6	62	0	0	0	111	N461 H462 L465 S509 M511 T512 D516 I517 L518 Y580	N461-L514 HydrophobicContact CB-CD1 4.34Å; N461-L514 HydrophobicContact CB-CD2 3.91Å; H462-L514 HydrophobicContact CB-CD1 4.09Å; L465-L514 HydrophobicContact CD2-CB 4.48Å; S509-L514 WeakPolarHBondContact OG-CD2 3.34Å; M511-L514 HydrophobicContact CB-CB 3.98Å; M511-L514 WeakPolarHBondContact O-CB 3.38Å; M511-L514 PolarHBondContact O-N 3.09Å; T512-L514 PolarHBondContact O-N 3.31Å; L514-D516 VanDerWaalsContact C-N 3.28Å; L514-I517 HydrophobicContact CD1-CB 4.49Å; L514-I517 HydrophobicContact CD1-CD1 4.3Å; L514-I517 PolarHBondContact O-N 3.22Å; L514-L518 HydrophobicContact CG-CD1 4.47Å; L514-L518 VanDerWaalsContact O-CG 3.31Å; L514-L518 WeakPolarHBondContact O-CG 3.27Å; L514-L518 PolarHBondContact O-N 3.41Å; L514-Y580 HydrophobicContact CD1-CE1 3.89Å; L514-Y580 HydrophobicContact CD2-CD1 3.2Å; L514-Y580 HydrophobicContact CD2-CE1 3.31Å; L514-Y580 HydrophobicContact CD2-CG 4.06Å; L514-Y580 HydrophobicContact CG-CD1 4.26Å; L514-Y580 HydrophobicContact CG-CE1 4.09Å
515	L	93.3	Very high	93.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-37.5	170.9	-52.6	-176.2	0	0	0	110.7	M511 T512 I517 L518 E519 D533 M559	M511-L515 PolarHBondContact O-N 3.25Å; T512-L515 WeakPolarHBondContact O-CA 3.29Å; T512-L515 VanDerWaalsContact O-CB 3.23Å; T512-L515 WeakPolarHBondContact O-CB 3.32Å; T512-L515 PolarHBondContact O-N 3.31Å; L515-I517 VanDerWaalsContact C-N 3.35Å; L515-I517 PolarHBondContact O-N 3.24Å; L515-L518 HydrophobicContact CD2-CD1 4.25Å; L515-L518 CarbonylContact O-C 3.59Å; L515-L518 PolarHBondContact O-N 2.97Å; L515-L518 VanDerWaalsContact O-N 3.16Å; L515-E519 WeakPolarHBondContact O-CG 3.15Å; L515-E519 PolarHBondContact O-N 3Å; L515-D533 HydrophobicContact CD1-CB 4.37Å; L515-M559 HydrophobicContact CD2-CB 4.27Å
516	D	93.3	Very high	93.6	Very high	61 Å²	61	36 Å²	36	33%	0.326	18%	0.182	S	C	.	.	H	α-helix	trans	-57.1	-48	173.6	-50.4	-18.9	0	0	0	110.8	T512 R513 L514 L518 E519 D520 R531	T512-D516 PolarHBondContact O-N 2.59Å; R513-D516 WeakPolarHBondContact CA-OD2 3.46Å; R513-D516 WeakPolarHBondContact O-CB 3.27Å; L514-D516 VanDerWaalsContact C-N 3.28Å; D516-L518 VanDerWaalsContact C-N 3.31Å; D516-L518 PolarHBondContact O-N 3.07Å; D516-E519 WeakPolarHBondContact O-CB 3.04Å; D516-E519 PolarHBondContact O-N 3.01Å; D516-E519 VanDerWaalsContact O-N 3.15Å; D516-D520 PolarHBondContact O-N 3.34Å; D516-D520 VanDerWaalsContact O-N 3.07Å; D516-R531 IonicContact OD1-CZ 2.71Å; D516-R531 VanDerWaalsContact OD1-CZ 3.28Å; D516-R531 IonicContact OD1-NH1 2.77Å; D516-R531 PolarHBondContact OD1-NH1 3.09Å; D516-R531 IonicContact OD1-NH2 3.82Å; D516-R531 PolarHBondContact OD1-NH2 2.89Å
517	I	94.1	Very high	93.6	Very high	14 Å²	14	37.1 Å²	37.1	7%	0.072	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-40.4	176.3	-61.8	169.5	0	0	0	111.2	H462 L465 I481 R513 L514 L515 E519 D520 Y521	H462-I517 HydrophobicContact CB-CD1 3.82Å; L465-I517 HydrophobicContact CD2-CD1 3.83Å; L465-I517 HydrophobicContact CG-CD1 3.99Å; I481-I517 HydrophobicContact CD1-CG2 3.9Å; I481-I517 WeakPolarHBondContact CD1-O 3.37Å; I481-I517 HydrophobicContact CG1-CG2 3.9Å; R513-I517 PolarHBondContact O-N 2.64Å; L514-I517 HydrophobicContact CD1-CB 4.49Å; L514-I517 HydrophobicContact CD1-CD1 4.3Å; L514-I517 PolarHBondContact O-N 3.22Å; L515-I517 VanDerWaalsContact C-N 3.35Å; L515-I517 PolarHBondContact O-N 3.24Å; I517-E519 VanDerWaalsContact C-N 3.33Å; I517-D520 PolarHBondContact O-N 2.99Å; I517-Y521 WeakPolarHBondContact O-CB 3.05Å; I517-Y521 PolarHBondContact O-N 2.94Å
518	L	95.9	Very high	93.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-69.6	-30.8	177.7	-69.3	171.6	0	0	0	112.3	M488 L491 I507 L514 L515 D516 C522 M559 Y580	M488-L518 HydrophobicContact CE-CD2 4.13Å; M488-L518 HydrophobicContact SD-CD2 3.7Å; L491-L518 HydrophobicContact CD2-CD2 3.44Å; L491-L518 VanDerWaalsContact CD2-CD2 3.44Å; I507-L518 HydrophobicContact CG2-CD1 3.98Å; L514-L518 HydrophobicContact CG-CD1 4.47Å; L514-L518 VanDerWaalsContact O-CG 3.31Å; L514-L518 WeakPolarHBondContact O-CG 3.27Å; L514-L518 PolarHBondContact O-N 3.41Å; L515-L518 HydrophobicContact CD2-CD1 4.25Å; L515-L518 CarbonylContact O-C 3.59Å; L515-L518 PolarHBondContact O-N 2.97Å; L515-L518 VanDerWaalsContact O-N 3.16Å; D516-L518 VanDerWaalsContact C-N 3.31Å; D516-L518 PolarHBondContact O-N 3.07Å; L518-C522 WeakPolarHBondContact O-CB 3.47Å; L518-C522 PolarHBondContact O-N 3.16Å; L518-C522 PolarHBondContact O-SG 3.23Å; L518-M559 HydrophobicContact CB-SD 3.38Å; L518-M559 WeakPolarHBondContact CB-SD 3.37Å; L518-M559 HydrophobicContact CD1-SD 4.27Å; L518-M559 HydrophobicContact CG-SD 4.46Å; L518-Y580 HydrophobicContact CD2-CD2 4.45Å; L518-Y580 HydrophobicContact CD2-CE2 4.16Å
519	E	94.6	Very high	93.6	Very high	39 Å²	39	43.3 Å²	43.3	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-50.6	171.8	-76.2	-168.2	113.2	0	0	111	L515 D516 I517 Y521 C522 M523 Y529 R531 M559	L515-E519 WeakPolarHBondContact O-CG 3.15Å; L515-E519 PolarHBondContact O-N 3Å; D516-E519 WeakPolarHBondContact O-CB 3.04Å; D516-E519 PolarHBondContact O-N 3.01Å; D516-E519 VanDerWaalsContact O-N 3.15Å; I517-E519 VanDerWaalsContact C-N 3.33Å; E519-Y521 VanDerWaalsContact C-N 3.27Å; E519-Y521 PolarHBondContact O-N 2.81Å; E519-C522 PolarHBondContact O-N 3.18Å; E519-M523 WeakPolarHBondContact O-CG 3.42Å; E519-M523 PolarHBondContact O-N 2.95Å; E519-Y529 HydrophobicContact CB-CE2 4.47Å; E519-Y529 WeakPolarHBondContact CB-OH 3.26Å; E519-Y529 HydrophobicContact CG-CE2 3.6Å; E519-Y529 WeakPolarHBondContact CG-OH 3.43Å; E519-Y529 WeakPolarHBondContact OE1-CE2 3.4Å; E519-Y529 PolarHBondContact OE1-OH 2.87Å; E519-R531 WeakPolarHBondContact OE2-CD 3.42Å; E519-R531 IonicContact OE2-CZ 2.84Å; E519-R531 IonicContact OE2-NE 3.84Å; E519-R531 IonicContact OE2-NH1 3.94Å; E519-R531 PolarHBondContact OE2-NH1 3.02Å; E519-M559 HydrophobicContact CB-CE 4.44Å; E519-M559 HydrophobicContact CG-CE 3.52Å
520	D	93.2	Very high	93.7	Very high	72 Å²	72	43.8 Å²	43.8	39%	0.385	22%	0.217	S	C	.	.	H	α-helix	trans	-55.8	-45.4	176.8	-67.4	-23.4	0	0	0	110.9	T477 I481 D516 I517 M523 W524	T477-D520 HydrophobicContact CG2-CB 3.96Å; I481-D520 HydrophobicContact CD1-CB 3.97Å; D516-D520 PolarHBondContact O-N 3.34Å; D516-D520 VanDerWaalsContact O-N 3.07Å; I517-D520 PolarHBondContact O-N 2.99Å; D520-M523 PolarHBondContact O-N 3.33Å; D520-W524 WeakPolarHBondContact O-CB 3.27Å; D520-W524 PolarHBondContact O-N 3.5Å
521	Y	95.5	Very high	93.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-45.8	174.5	164.1	-97.9	0	0	0	112.8	I481 V482 M488 D492 L495 I517 E519 W524 R525 Y527	I481-Y521 HydrophobicContact CG2-CD2 4.4Å; V482-Y521 HydrophobicContact CG2-CD2 3.87Å; V482-Y521 HydrophobicContact CG2-CE2 3.82Å; M488-Y521 HydrophobicContact CE-CD1 4.01Å; M488-Y521 HydrophobicContact CE-CD2 3.64Å; M488-Y521 HydrophobicContact CE-CE2 4.29Å; M488-Y521 HydrophobicContact CE-CG 3.47Å; M488-Y521 VanDerWaalsContact CE-CG 3.47Å; D492-Y521 WeakPolarHBondContact CA-OH 3.45Å; D492-Y521 HydrophobicContact CB-CE2 4.25Å; D492-Y521 WeakPolarHBondContact OD1-CE2 3.23Å; D492-Y521 PolarHBondContact OD1-OH 3.16Å; L495-Y521 HydrophobicContact CD1-CE1 3.66Å; I517-Y521 WeakPolarHBondContact O-CB 3.05Å; I517-Y521 PolarHBondContact O-N 2.94Å; E519-Y521 VanDerWaalsContact C-N 3.27Å; E519-Y521 PolarHBondContact O-N 2.81Å; Y521-W524 HydrophobicContact CD2-CE3 4.21Å; Y521-W524 HydrophobicContact CD2-CZ3 4.34Å; Y521-W524 HydrophobicContact CE2-CZ3 4.46Å; Y521-W524 PolarHBondContact O-N 3.48Å; Y521-R525 HydrophobicContact CD2-CG 4.07Å; Y521-R525 HydrophobicContact CE2-CG 3.49Å; Y521-R525 VanDerWaalsContact CE2-CG 3.49Å; Y521-R525 PolarHBondContact O-N 2.63Å; Y521-Y527 HydrophobicContact CE1-CD2 4.23Å; Y521-Y527 HydrophobicContact CE1-CE2 4.2Å
522	C	95.4	Very high	93.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-39.7	179.3	-71.2	0	0	0	0	111.6	L518 E519 G526 Y527 Y529	L518-C522 WeakPolarHBondContact O-CB 3.47Å; L518-C522 PolarHBondContact O-N 3.16Å; L518-C522 PolarHBondContact O-SG 3.23Å; E519-C522 PolarHBondContact O-N 3.18Å; C522-G526 PolarHBondContact O-N 3.27Å; C522-Y527 PolarHBondContact O-N 3.39Å; C522-Y529 HydrophobicContact CB-CD1 3.46Å; C522-Y529 VanDerWaalsContact CB-CD1 3.46Å; C522-Y529 HydrophobicContact CB-CE1 3.82Å; C522-Y529 HydrophobicContact CB-CG 4.31Å
523	M	92.9	Very high	93.8	Very high	122 Å²	122	40.4 Å²	40.4	60%	0.601	19%	0.194	S	C	*	.	H	α-helix	trans	-61.5	-46.7	174.7	-70	-170.1	-165.8	0	0	110.8	E519 D520 G526 Y529	E519-M523 WeakPolarHBondContact O-CG 3.42Å; E519-M523 PolarHBondContact O-N 2.95Å; D520-M523 PolarHBondContact O-N 3.33Å; M523-G526 PolarHBondContact O-N 3.06Å; M523-Y529 WeakPolarHBondContact CE-OH 3.49Å; M523-Y529 HydrophobicContact CG-CE1 4.2Å
524	W	93.2	Very high	93.3	Very high	83 Å²	83	39 Å²	39	31%	0.314	21%	0.211	S	C	.	.	H	α-helix	trans	-65.5	-43.4	-179.8	172.4	69.4	0	0	0	113.4	T477 E479 I481 V482 D520 Y521 G526	T477-W524 HydrophobicContact CG2-CB 3.85Å; T477-W524 HydrophobicContact CG2-CG 4.35Å; T477-W524 VanDerWaalsContact O-CD1 3.26Å; E479-W524 HydrophobicContact CB-CH2 4.35Å; E479-W524 HydrophobicContact CB-CZ2 4.49Å; E479-W524 WeakPolarHBondContact OE2-CH2 3.31Å; I481-W524 HydrophobicContact CG2-CE3 4.32Å; I481-W524 HydrophobicContact CG2-CZ3 4.33Å; V482-W524 HydrophobicContact CG2-CZ3 3.88Å; D520-W524 WeakPolarHBondContact O-CB 3.27Å; D520-W524 PolarHBondContact O-N 3.5Å; Y521-W524 HydrophobicContact CD2-CE3 4.21Å; Y521-W524 HydrophobicContact CD2-CZ3 4.34Å; Y521-W524 HydrophobicContact CE2-CZ3 4.46Å; Y521-W524 PolarHBondContact O-N 3.48Å; W524-G526 VanDerWaalsContact C-N 3.25Å; W524-G526 PolarHBondContact O-N 3.27Å
525	R	94.4	Very high	92.5	Very high	80 Å²	80	47.3 Å²	47.3	30%	0.302	25%	0.249	S	C	.	.	H	α-helix	trans	-76.8	-6.5	174.2	-70.6	-59.6	-160	-151.3	-3.9	113.7	E479 D492 Y521 Y527	E479-R525 IonicContact OE1-NH2 2.99Å; E479-R525 PolarHBondContact OE1-NH2 3.27Å; E479-R525 IonicContact OE2-NH1 2.86Å; E479-R525 IonicContact OE2-NH2 3.43Å; D492-R525 IonicContact OD1-CZ 2.87Å; D492-R525 VanDerWaalsContact OD1-CZ 3.31Å; D492-R525 IonicContact OD1-NE 3.35Å; D492-R525 PolarHBondContact OD1-NE 3Å; D492-R525 IonicContact OD1-NH2 2.63Å; D492-R525 PolarHBondContact OD1-NH2 2.82Å; D492-R525 VanDerWaalsContact OD1-NH2 3.09Å; D492-R525 IonicContact OD2-CZ 2.66Å; D492-R525 IonicContact OD2-NE 3.45Å; D492-R525 IonicContact OD2-NH2 2.82Å; D492-R525 PolarHBondContact OD2-NH2 3.14Å; Y521-R525 HydrophobicContact CD2-CG 4.07Å; Y521-R525 HydrophobicContact CE2-CG 3.49Å; Y521-R525 VanDerWaalsContact CE2-CG 3.49Å; Y521-R525 PolarHBondContact O-N 2.63Å; R525-Y527 HydrophobicContact CB-CD2 3.77Å; R525-Y527 HydrophobicContact CB-CE2 3.58Å; R525-Y527 HydrophobicContact CB-CG 4.44Å; R525-Y527 HydrophobicContact CG-CE2 4.13Å
526	G	93.7	Very high	92	Very high	51 Å²	51	48.4 Å²	48.4	53%	0.526	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	35.5	-178.6	0	0	0	0	0	113.9	C522 M523 W524	C522-G526 PolarHBondContact O-N 3.27Å; M523-G526 PolarHBondContact O-N 3.06Å; W524-G526 VanDerWaalsContact C-N 3.25Å; W524-G526 PolarHBondContact O-N 3.27Å
527	Y	96.7	Very high	91.4	Very high	24 Å²	24	48.5 Å²	48.5	9%	0.094	26%	0.26	C	S	.	.			trans	-89.4	124.8	171.1	-62.4	-42.6	0	0	0	110.5	L495 K499 Y521 C522 R525 Y529 F556 I557	L495-Y527 HydrophobicContact CB-CE2 4.2Å; L495-Y527 HydrophobicContact CD1-CE2 4.43Å; K499-Y527 HydrophobicContact CD-CD1 3.71Å; K499-Y527 HydrophobicContact CD-CE1 3.37Å; Y521-Y527 HydrophobicContact CE1-CD2 4.23Å; Y521-Y527 HydrophobicContact CE1-CE2 4.2Å; C522-Y527 PolarHBondContact O-N 3.39Å; R525-Y527 HydrophobicContact CB-CD2 3.77Å; R525-Y527 HydrophobicContact CB-CE2 3.58Å; R525-Y527 HydrophobicContact CB-CG 4.44Å; R525-Y527 HydrophobicContact CG-CE2 4.13Å; Y527-Y529 WeakPolarHBondContact O-CD1 3.36Å; Y527-F556 AromaticContact CD1-CD1 3.83Å; Y527-F556 HydrophobicContact CD1-CD1 3.83Å; Y527-F556 HydrophobicContact CD1-CE1 4.14Å; Y527-F556 HydrophobicContact CE1-CD1 4.4Å; Y527-F556 HydrophobicContact CE1-CE1 4.28Å; Y527-F556 HydrophobicContact CG-CD1 4.07Å; Y527-F556 HydrophobicContact CG-CE1 4.41Å; Y527-I557 HydrophobicContact CD2-CD1 3.99Å; Y527-I557 HydrophobicContact CG-CD1 4.12Å
528	E	96.2	Very high	90.5	Very high	95 Å²	95	50.5 Å²	50.5	44%	0.444	27%	0.269	S	S	.	.			trans	-75.1	132.1	169.3	-72.7	-172.5	-124.2	0	0	110.8	S554 K555 F556 I557	E528-S554 WeakPolarHBondContact OE1-CB 3.19Å; E528-S554 PolarHBondContact OE1-OG 3.19Å; E528-S554 WeakPolarHBondContact OE2-CB 3.4Å; E528-S554 PolarHBondContact OE2-OG 3.48Å; E528-K555 HydrophobicContact CB-CD 4.16Å; E528-F556 PolarHBondContact O-N 3.35Å; E528-I557 PolarHBondContact O-N 2.93Å
529	Y	96.3	Very high	89.6	Confident	37 Å²	37	57.8 Å²	57.8	15%	0.145	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	168.6	-175.2	68	-94.2	0	0	0	113.4	E519 C522 M523 Y527 R531 K555 I557 M559	E519-Y529 HydrophobicContact CB-CE2 4.47Å; E519-Y529 WeakPolarHBondContact CB-OH 3.26Å; E519-Y529 HydrophobicContact CG-CE2 3.6Å; E519-Y529 WeakPolarHBondContact CG-OH 3.43Å; E519-Y529 WeakPolarHBondContact OE1-CE2 3.4Å; E519-Y529 PolarHBondContact OE1-OH 2.87Å; C522-Y529 HydrophobicContact CB-CD1 3.46Å; C522-Y529 VanDerWaalsContact CB-CD1 3.46Å; C522-Y529 HydrophobicContact CB-CE1 3.82Å; C522-Y529 HydrophobicContact CB-CG 4.31Å; M523-Y529 WeakPolarHBondContact CE-OH 3.49Å; M523-Y529 HydrophobicContact CG-CE1 4.2Å; Y527-Y529 WeakPolarHBondContact O-CD1 3.36Å; Y529-R531 HydrophobicContact CE2-CB 4.5Å; Y529-K555 PolarHBondContact O-NZ 2.95Å; Y529-I557 CarbonylContact C-O 3.52Å; Y529-I557 WeakPolarHBondContact CA-O 3.43Å; Y529-I557 WeakPolarHBondContact CB-O 3.46Å; Y529-M559 HydrophobicContact CD1-CE 4.25Å; Y529-M559 HydrophobicContact CD2-CE 3.18Å; Y529-M559 HydrophobicContact CE2-CE 3.56Å; Y529-M559 HydrophobicContact CG-CE 3.58Å
530	C	95	Very high	89.2	Confident	9 Å²	9	61.2 Å²	61.2	6%	0.061	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.3	164.8	-68.9	0	0	0	0	108.9	A544 I557 F558 M559	C530-A544 HydrophobicContact CB-CB 4.22Å; C530-I557 PolarHBondContact N-O 3.42Å; C530-F558 HydrophobicContact CB-CD1 4.01Å; C530-F558 HydrophobicContact CB-CD2 3.86Å; C530-F558 HydrophobicContact CB-CE1 4.02Å; C530-F558 HydrophobicContact CB-CE2 3.88Å; C530-F558 HydrophobicContact CB-CG 3.92Å; C530-F558 HydrophobicContact CB-CZ 3.96Å; C530-F558 CarbonylContact O-C 3.58Å; C530-F558 WeakPolarHBondContact O-CA 3.49Å; C530-M559 PolarHBondContact O-N 3.07Å
531	R	92.9	Very high	88.8	Confident	55 Å²	55	59.1 Å²	59.1	21%	0.208	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137	176	174.8	-178.5	167.8	160.3	3.9	109.8	D516 E519 Y529 D533 M559	D516-R531 IonicContact OD1-CZ 2.71Å; D516-R531 VanDerWaalsContact OD1-CZ 3.28Å; D516-R531 IonicContact OD1-NH1 2.77Å; D516-R531 PolarHBondContact OD1-NH1 3.09Å; D516-R531 IonicContact OD1-NH2 3.82Å; D516-R531 PolarHBondContact OD1-NH2 2.89Å; E519-R531 WeakPolarHBondContact OE2-CD 3.42Å; E519-R531 IonicContact OE2-CZ 2.84Å; E519-R531 IonicContact OE2-NE 3.84Å; E519-R531 IonicContact OE2-NH1 3.94Å; E519-R531 PolarHBondContact OE2-NH1 3.02Å; Y529-R531 HydrophobicContact CE2-CB 4.5Å; R531-D533 IonicContact CZ-OD2 2.88Å; R531-D533 IonicContact NE-OD2 3.75Å; R531-D533 PolarHBondContact NE-OD2 2.92Å; R531-D533 IonicContact NH2-OD2 3.76Å; R531-D533 PolarHBondContact NH2-OD2 2.82Å; R531-M559 CarbonylContact C-O 3.58Å; R531-M559 WeakPolarHBondContact CA-O 3.22Å
532	L	89.8	Confident	88.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	116.5	174	-169.8	171.4	0	0	0	110.8	R541 F558 M559 L560 S561 A564 I569	L532-R541 HydrophobicContact CD1-CB 4.46Å; L532-R541 HydrophobicContact CD1-CG 3.71Å; L532-R541 HydrophobicContact CG-CG 4.39Å; L532-F558 HydrophobicContact CB-CE1 3.57Å; L532-F558 HydrophobicContact CB-CZ 4.15Å; L532-F558 HydrophobicContact CD1-CE1 4.24Å; L532-F558 HydrophobicContact CD1-CZ 4.13Å; L532-M559 PolarHBondContact N-O 3.28Å; L532-L560 HydrophobicContact CB-CD2 4.38Å; L532-L560 HydrophobicContact CB-CG 4.46Å; L532-L560 HydrophobicContact CD1-CD2 4.4Å; L532-L560 VanDerWaalsContact O-CA 3.31Å; L532-L560 WeakPolarHBondContact O-CA 3.33Å; L532-S561 PolarHBondContact O-N 3.04Å; L532-A564 HydrophobicContact CD2-CB 3.38Å; L532-I569 HydrophobicContact CD1-CD1 4.19Å
533	D	88.3	Confident	87.8	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.037	35%	0.349	C	S	.	.			trans	-129.7	-168.6	172.6	65.7	38.8	0	0	0	111.8	T512 L515 R531 Q535 T536	T512-D533 HydrophobicContact CG2-CB 3.99Å; L515-D533 HydrophobicContact CD1-CB 4.37Å; R531-D533 IonicContact CZ-OD2 2.88Å; R531-D533 IonicContact NE-OD2 3.75Å; R531-D533 PolarHBondContact NE-OD2 2.92Å; R531-D533 IonicContact NH2-OD2 3.76Å; R531-D533 PolarHBondContact NH2-OD2 2.82Å; D533-Q535 PolarHBondContact O-N 2.62Å; D533-Q535 WeakPolarHBondContact OD1-CA 3.27Å; D533-Q535 WeakPolarHBondContact OD1-CB 3.28Å; D533-Q535 PolarHBondContact OD1-N 3.45Å; D533-T536 PolarHBondContact N-OG1 3.02Å; D533-T536 PolarHBondContact OD1-N 2.66Å
534	G	79.5	Confident	87.7	Confident	70 Å²	70	63.2 Å²	63.2	72%	0.722	33%	0.326	S	S	*	.	S	Bend	trans	-69.8	-15.9	-178.4	0	0	0	0	0	114.5
535	Q	79.1	Confident	87.5	Confident	174 Å²	174	60.7 Å²	60.7	81%	0.813	32%	0.318	S	S	*	.	S	Bend	trans	-97.7	-16.3	-178.7	-62.4	-178.1	-8.6	0	0	112.5	D533 P537	D533-Q535 PolarHBondContact O-N 2.62Å; D533-Q535 WeakPolarHBondContact OD1-CA 3.27Å; D533-Q535 WeakPolarHBondContact OD1-CB 3.28Å; D533-Q535 PolarHBondContact OD1-N 3.45Å; Q535-P537 WeakPolarHBondContact O-CD 2.96Å
536	T	82.4	Confident	87.3	Confident	22 Å²	22	63.5 Å²	63.5	14%	0.135	34%	0.335	C	S	.	.	S	Bend	trans	-58.3	121.2	176.8	-46.8	0	0	0	0	111.5	D533 E540 R541	D533-T536 PolarHBondContact N-OG1 3.02Å; D533-T536 PolarHBondContact OD1-N 2.66Å; T536-E540 HydrophobicContact CG2-CB 4.07Å; T536-R541 HydrophobicContact CG2-CB 4.4Å
537	P	79.3	Confident	87.2	Confident	64 Å²	64	63.1 Å²	63.1	42%	0.416	33%	0.327	S	S	.	.			trans	-54.4	158.3	172.7	-26.5	35.8	0	0	0	113.1	Q535 E540 R541	Q535-P537 WeakPolarHBondContact O-CD 2.96Å; P537-E540 HydrophobicContact CB-CG 4.41Å; P537-E540 WeakPolarHBondContact CD-OE2 3.09Å; P537-E540 HydrophobicContact CG-CG 4.49Å; P537-R541 WeakPolarHBondContact O-CB 3.35Å; P537-R541 PolarHBondContact O-N 3.46Å; P537-R541 VanDerWaalsContact O-N 3.1Å
538	H	75.7	Confident	87.1	Confident	56 Å²	56	62 Å²	62	26%	0.259	32%	0.322	S	S	.	.	H	α-helix	trans	-67	-40.3	-175.6	-165.5	-73.1	0	0	0	112.9	H245 R541 E542	H245-H538 AromaticContact CD2-CE1 3.83Å; H245-H538 AromaticContact CE1-CD2 3.93Å; H245-H538 AromaticContact CE1-CE1 3.25Å; H245-H538 PolarHBondContact CE1-CE1 3.39Å; H245-H538 AromaticContact CE1-ND1 3.7Å; H245-H538 AromaticContact CE1-NE2 3.39Å; H245-H538 PolarHBondContact CE1-NE2 3.21Å; H245-H538 AromaticContact CG-CE1 3.3Å; H245-H538 AromaticContact CG-NE2 3.66Å; H245-H538 AromaticContact ND1-CD2 3.81Å; H245-H538 AromaticContact ND1-CE1 2.9Å; H245-H538 PolarHBondContact ND1-CE1 2.71Å; H245-H538 AromaticContact ND1-ND1 3.8Å; H245-H538 AromaticContact ND1-NE2 2.86Å; H245-H538 PolarHBondContact ND1-NE2 3.19Å; H245-H538 AromaticContact NE2-CE1 3.83Å; H538-R541 WeakPolarHBondContact O-CB 3.35Å; H538-R541 PolarHBondContact O-N 3.24Å; H538-E542 IonicContact CE1-OE1 2.85Å; H538-E542 PolarHBondContact CE1-OE1 3.04Å; H538-E542 IonicContact ND1-OE1 2.8Å; H538-E542 PolarHBondContact O-N 3.35Å
539	E	78.4	Confident	86.9	Confident	152 Å²	152	60 Å²	60	71%	0.71	32%	0.315	S	S	*	.	H	α-helix	trans	-64.9	-51.9	-179.2	-64.9	175	179.3	0	0	110.5	R541 E542 E543	E539-R541 PolarHBondContact O-N 2.82Å; E539-E542 PolarHBondContact O-N 2.83Å; E539-E543 PolarHBondContact O-N 3.42Å
540	E	84.6	Confident	86.7	Confident	112 Å²	112	60 Å²	60	52%	0.523	32%	0.322	S	S	.	.	H	α-helix	trans	-57.2	-35.2	175.1	-67.5	177.9	-156.4	0	0	112.9	T536 P537 A544	T536-E540 HydrophobicContact CG2-CB 4.07Å; P537-E540 HydrophobicContact CB-CG 4.41Å; P537-E540 WeakPolarHBondContact CD-OE2 3.09Å; P537-E540 HydrophobicContact CG-CG 4.49Å; E540-A544 VanDerWaalsContact O-CB 3.26Å; E540-A544 WeakPolarHBondContact O-CB 3.42Å; E540-A544 PolarHBondContact O-N 3.3Å
541	R	84.9	Confident	86.4	Confident	27 Å²	27	65.3 Å²	65.3	10%	0.102	36%	0.356	C	S	.	.	H	α-helix	trans	-62.1	-45.4	175	166.5	-179.4	-59.9	158.4	6.1	111.5	L532 T536 P537 H538 E539 I545	L532-R541 HydrophobicContact CD1-CB 4.46Å; L532-R541 HydrophobicContact CD1-CG 3.71Å; L532-R541 HydrophobicContact CG-CG 4.39Å; T536-R541 HydrophobicContact CG2-CB 4.4Å; P537-R541 WeakPolarHBondContact O-CB 3.35Å; P537-R541 PolarHBondContact O-N 3.46Å; P537-R541 VanDerWaalsContact O-N 3.1Å; H538-R541 WeakPolarHBondContact O-CB 3.35Å; H538-R541 PolarHBondContact O-N 3.24Å; E539-R541 PolarHBondContact O-N 2.82Å; R541-I545 HydrophobicContact CG-CD1 3.82Å; R541-I545 WeakPolarHBondContact O-CD1 3.46Å; R541-I545 WeakPolarHBondContact O-CG1 3.5Å; R541-I545 PolarHBondContact O-N 3Å; R541-I545 VanDerWaalsContact O-N 3.15Å
542	E	82.8	Confident	86.1	Confident	64 Å²	64	70.3 Å²	70.3	30%	0.299	39%	0.387	S	S	.	.	H	α-helix	trans	-66.4	-46.8	179.9	-70.7	-173	152.2	0	0	110.6	H245 H538 E539 A544 I545 E546	H245-E542 WeakPolarHBondContact CB-OE1 3.05Å; H245-E542 IonicContact CD2-OE1 3.59Å; H245-E542 IonicContact CG-OE1 3.75Å; H538-E542 IonicContact CE1-OE1 2.85Å; H538-E542 PolarHBondContact CE1-OE1 3.04Å; H538-E542 IonicContact ND1-OE1 2.8Å; H538-E542 PolarHBondContact O-N 3.35Å; E539-E542 PolarHBondContact O-N 2.83Å; E542-A544 VanDerWaalsContact C-N 3.33Å; E542-A544 PolarHBondContact O-N 2.78Å; E542-I545 PolarHBondContact O-N 2.92Å; E542-I545 VanDerWaalsContact O-N 3.12Å; E542-E546 WeakPolarHBondContact O-CG 3.26Å; E542-E546 PolarHBondContact O-N 3.42Å
543	E	88.5	Confident	86.3	Confident	130 Å²	130	71.5 Å²	71.5	61%	0.607	40%	0.396	S	S	*	.	H	α-helix	trans	-57	-44.6	176.5	-68.5	179.6	179.3	0	0	112	E539 I545 E546 A547	E539-E543 PolarHBondContact O-N 3.42Å; E543-I545 PolarHBondContact O-N 3.05Å; E543-E546 PolarHBondContact O-N 3.34Å; E543-A547 WeakPolarHBondContact O-CB 3.39Å; E543-A547 PolarHBondContact O-N 3.08Å
544	A	90.8	Very high	86.5	Confident	16 Å²	16	74.5 Å²	74.5	13%	0.132	42%	0.418	C	S	.	.	H	α-helix	trans	-63.3	-39.8	177.5	0	0	0	0	0	112.5	C530 E540 E542 F548 F558	C530-A544 HydrophobicContact CB-CB 4.22Å; E540-A544 VanDerWaalsContact O-CB 3.26Å; E540-A544 WeakPolarHBondContact O-CB 3.42Å; E540-A544 PolarHBondContact O-N 3.3Å; E542-A544 VanDerWaalsContact C-N 3.33Å; E542-A544 PolarHBondContact O-N 2.78Å; A544-F548 VanDerWaalsContact O-CB 3.3Å; A544-F548 WeakPolarHBondContact O-CB 3.36Å; A544-F548 PolarHBondContact O-N 3.33Å; A544-F558 HydrophobicContact CB-CE2 4.44Å; A544-F558 HydrophobicContact CB-CZ 4.07Å
545	I	88.7	Confident	87.3	Confident	29 Å²	29	74 Å²	74	15%	0.149	40%	0.395	C	S	.	.	H	α-helix	trans	-68.2	-42.6	178	-68.5	164.9	0	0	0	110.7	R541 E542 E543 N549 F558 I569 L571	R541-I545 HydrophobicContact CG-CD1 3.82Å; R541-I545 WeakPolarHBondContact O-CD1 3.46Å; R541-I545 WeakPolarHBondContact O-CG1 3.5Å; R541-I545 PolarHBondContact O-N 3Å; R541-I545 VanDerWaalsContact O-N 3.15Å; E542-I545 PolarHBondContact O-N 2.92Å; E542-I545 VanDerWaalsContact O-N 3.12Å; E543-I545 PolarHBondContact O-N 3.05Å; I545-N549 WeakPolarHBondContact CG2-ND2 3.48Å; I545-N549 VanDerWaalsContact O-CB 3.3Å; I545-N549 WeakPolarHBondContact O-CB 3.42Å; I545-N549 PolarHBondContact O-N 3.21Å; I545-N549 PolarHBondContact O-ND2 3Å; I545-F558 HydrophobicContact CG1-CE2 4.34Å; I545-F558 HydrophobicContact CG1-CZ 4.34Å; I545-I569 HydrophobicContact CD1-CB 3.98Å; I545-I569 HydrophobicContact CD1-CG2 3.64Å; I545-L571 HydrophobicContact CG1-CD2 4.43Å; I545-L571 HydrophobicContact CG2-CD2 4.41Å
546	E	89.2	Confident	88.1	Confident	140 Å²	140	66.5 Å²	66.5	65%	0.654	36%	0.36	S	S	*	.	H	α-helix	trans	-66.2	-48.5	177.3	-71.8	-173.5	174.6	0	0	111.4	E542 E543 F548 N549 A550	E542-E546 WeakPolarHBondContact O-CG 3.26Å; E542-E546 PolarHBondContact O-N 3.42Å; E543-E546 PolarHBondContact O-N 3.34Å; E546-F548 VanDerWaalsContact C-N 3.3Å; E546-F548 PolarHBondContact O-N 3.33Å; E546-N549 PolarHBondContact O-N 3.44Å; E546-N549 VanDerWaalsContact O-N 3.16Å; E546-A550 PolarHBondContact O-N 3.2Å
547	A	93	Very high	88.9	Confident	42 Å²	42	65.4 Å²	65.4	35%	0.347	35%	0.354	S	S	.	.	H	α-helix	trans	-56.8	-43.9	177.3	0	0	0	0	0	111.4	E543 S553	E543-A547 WeakPolarHBondContact O-CB 3.39Å; E543-A547 PolarHBondContact O-N 3.08Å; A547-S553 WeakPolarHBondContact O-CB 3.49Å; A547-S553 PolarHBondContact O-OG 3.49Å
548	F	94.3	Very high	89.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-69.4	-37.7	177.7	-175.2	-101.9	0	0	0	113.2	R504 L506 A544 E546 K555 F558 L571 S573 A574	R504-F548 HydrophobicContact CB-CE2 4.26Å; R504-F548 HydrophobicContact CB-CZ 3.81Å; R504-F548 HydrophobicContact CG-CE2 4.48Å; R504-F548 HydrophobicContact CG-CZ 4.39Å; R504-F548 PolarHBondContact NH1-O 3.3Å; L506-F548 HydrophobicContact CD2-CE1 3.87Å; L506-F548 HydrophobicContact CD2-CZ 3.8Å; A544-F548 VanDerWaalsContact O-CB 3.3Å; A544-F548 WeakPolarHBondContact O-CB 3.36Å; A544-F548 PolarHBondContact O-N 3.33Å; E546-F548 VanDerWaalsContact C-N 3.3Å; E546-F548 PolarHBondContact O-N 3.33Å; F548-K555 HydrophobicContact CD2-CB 3.94Å; F548-F558 HydrophobicContact CB-CD2 3.68Å; F548-F558 HydrophobicContact CB-CE2 3.97Å; F548-F558 AromaticContact CD1-CD2 3.84Å; F548-F558 HydrophobicContact CD1-CD2 3.84Å; F548-F558 HydrophobicContact CD2-CB 4.03Å; F548-F558 AromaticContact CD2-CD2 3.87Å; F548-F558 HydrophobicContact CD2-CD2 3.87Å; F548-F558 HydrophobicContact CD2-CG 4.43Å; F548-F558 HydrophobicContact CE1-CB 4.48Å; F548-F558 HydrophobicContact CE1-CD2 4.39Å; F548-F558 HydrophobicContact CE2-CB 3.82Å; F548-F558 HydrophobicContact CE2-CD2 4.42Å; F548-F558 HydrophobicContact CG-CB 4.44Å; F548-F558 AromaticContact CG-CD2 3.53Å; F548-F558 HydrophobicContact CG-CD2 3.53Å; F548-F558 HydrophobicContact CG-CE2 4.3Å; F548-F558 HydrophobicContact CG-CG 4.46Å; F548-F558 HydrophobicContact CZ-CB 4.04Å; F548-L571 HydrophobicContact CD1-CD2 3.84Å; F548-L571 HydrophobicContact CE1-CD2 4.33Å; F548-S573 WeakPolarHBondContact CD1-OG 3.41Å; F548-S573 WeakPolarHBondContact CE1-OG 3.17Å; F548-A574 HydrophobicContact CE1-CB 3.99Å; F548-A574 HydrophobicContact CZ-CB 3.98Å
549	N	91.7	Very high	90.6	Very high	54 Å²	54	59.7 Å²	59.7	29%	0.289	32%	0.321	S	S	.	.	H	α-helix	trans	-81	-12.7	-179.5	-76.3	-43.4	0	0	0	114	I545 E546 N570 S573	I545-N549 WeakPolarHBondContact CG2-ND2 3.48Å; I545-N549 VanDerWaalsContact O-CB 3.3Å; I545-N549 WeakPolarHBondContact O-CB 3.42Å; I545-N549 PolarHBondContact O-N 3.21Å; I545-N549 PolarHBondContact O-ND2 3Å; E546-N549 PolarHBondContact O-N 3.44Å; E546-N549 VanDerWaalsContact O-N 3.16Å; N549-N570 PolarHBondContact ND2-O 3.37Å; N549-S573 WeakPolarHBondContact OD1-CB 3.43Å; N549-S573 PolarHBondContact OD1-OG 2.98Å
550	A	92.7	Very high	91.3	Very high	36 Å²	36	52.5 Å²	52.5	30%	0.298	29%	0.288	S	S	.	.	S	Bend	trans	-52.1	140.1	179.8	0	0	0	0	0	112	R504 E546 N552 S553	R504-A550 PolarHBondContact NH1-O 3.49Å; R504-A550 PolarHBondContact NH2-O 2.76Å; E546-A550 PolarHBondContact O-N 3.2Å; A550-N552 PolarHBondContact O-N 3.08Å; A550-S553 WeakPolarHBondContact O-CB 3.28Å; A550-S553 PolarHBondContact O-N 2.79Å; A550-S553 VanDerWaalsContact O-N 3.09Å
551	P	87.3	Confident	91.5	Very high	121 Å²	121	47.6 Å²	47.6	79%	0.786	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	128.1	171.7	25.7	-32	0	0	0	108.3	S553	P551-S553 VanDerWaalsContact C-N 3.26Å; P551-S553 PolarHBondContact O-N 3.35Å
552	N	88.1	Confident	91.2	Very high	160 Å²	160	46.3 Å²	46.3	86%	0.856	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	25.9	-176.2	-49.9	-29.3	0	0	0	115.6	A550 S554	A550-N552 PolarHBondContact O-N 3.08Å; N552-S554 PolarHBondContact O-N 2.96Å
553	S	93.2	Very high	90.8	Very high	25 Å²	25	52.6 Å²	52.6	18%	0.175	28%	0.282	C	S	.	.			trans	-47.3	134.9	168.7	-174.4	0	0	0	0	112.2	A547 A550 P551 K555	A547-S553 WeakPolarHBondContact O-CB 3.49Å; A547-S553 PolarHBondContact O-OG 3.49Å; A550-S553 WeakPolarHBondContact O-CB 3.28Å; A550-S553 PolarHBondContact O-N 2.79Å; A550-S553 VanDerWaalsContact O-N 3.09Å; P551-S553 VanDerWaalsContact C-N 3.26Å; P551-S553 PolarHBondContact O-N 3.35Å; S553-K555 VanDerWaalsContact C-N 3.25Å; S553-K555 WeakPolarHBondContact OG-CB 3.44Å; S553-K555 PolarHBondContact OG-N 3.42Å; S553-K555 VanDerWaalsContact OG-N 3.14Å
554	S	92.8	Very high	90	Very high	71 Å²	71	46.6 Å²	46.6	50%	0.497	26%	0.255	S	S	.	.	S	Bend	trans	-73.1	-18.1	170.9	59	0	0	0	0	112.8	E528 N552 F556	E528-S554 WeakPolarHBondContact OE1-CB 3.19Å; E528-S554 PolarHBondContact OE1-OG 3.19Å; E528-S554 WeakPolarHBondContact OE2-CB 3.4Å; E528-S554 PolarHBondContact OE2-OG 3.48Å; N552-S554 PolarHBondContact O-N 2.96Å; S554-F556 PolarHBondContact O-N 2.86Å
555	K	95.2	Very high	88.4	Confident	58 Å²	58	45.9 Å²	45.9	25%	0.252	25%	0.248	S	C	.	.			trans	-66.8	106.5	179.6	-58	-58	-166.7	173	0	109.9	E528 Y529 F548 S553	E528-K555 HydrophobicContact CB-CD 4.16Å; Y529-K555 PolarHBondContact O-NZ 2.95Å; F548-K555 HydrophobicContact CD2-CB 3.94Å; S553-K555 VanDerWaalsContact C-N 3.25Å; S553-K555 WeakPolarHBondContact OG-CB 3.44Å; S553-K555 PolarHBondContact OG-N 3.42Å; S553-K555 VanDerWaalsContact OG-N 3.14Å
556	F	97.2	Very high	87.1	Confident	17 Å²	17	45.5 Å²	45.5	8%	0.075	25%	0.252	C	S	.	.			trans	-83	-42.9	-179.2	172.2	-135	0	0	0	111.4	L495 L498 K499 S503 V505 Y527 E528 S554	L495-F556 HydrophobicContact CB-CE1 4.37Å; L495-F556 HydrophobicContact CD2-CE1 4.11Å; L495-F556 HydrophobicContact CD2-CZ 4.18Å; L495-F556 WeakPolarHBondContact O-CZ 3.49Å; L498-F556 HydrophobicContact CB-CE2 4.46Å; L498-F556 HydrophobicContact CB-CZ 4.12Å; K499-F556 HydrophobicContact CB-CD1 4.44Å; K499-F556 HydrophobicContact CB-CE1 3.86Å; K499-F556 HydrophobicContact CB-CE2 4.06Å; K499-F556 HydrophobicContact CB-CZ 3.66Å; K499-F556 HydrophobicContact CD-CD1 4.3Å; K499-F556 HydrophobicContact CD-CE1 4.38Å; K499-F556 HydrophobicContact CG-CD1 4.43Å; K499-F556 HydrophobicContact CG-CE1 4.34Å; K499-F556 HydrophobicContact CG-CZ 4.4Å; S503-F556 WeakPolarHBondContact O-CD2 3.3Å; S503-F556 WeakPolarHBondContact O-CE2 3.3Å; V505-F556 HydrophobicContact CG2-CD2 4.41Å; V505-F556 HydrophobicContact CG2-CE2 3.63Å; V505-F556 HydrophobicContact CG2-CZ 3.81Å; V505-F556 PolarHBondContact N-O 3.37Å; Y527-F556 AromaticContact CD1-CD1 3.83Å; Y527-F556 HydrophobicContact CD1-CD1 3.83Å; Y527-F556 HydrophobicContact CD1-CE1 4.14Å; Y527-F556 HydrophobicContact CE1-CD1 4.4Å; Y527-F556 HydrophobicContact CE1-CE1 4.28Å; Y527-F556 HydrophobicContact CG-CD1 4.07Å; Y527-F556 HydrophobicContact CG-CE1 4.41Å; E528-F556 PolarHBondContact O-N 3.35Å; S554-F556 PolarHBondContact O-N 2.86Å
557	I	97.7	Very high	86	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.1	-172.3	-57.3	174.7	0	0	0	110.2	L495 V505 I507 Y527 E528 Y529 C530 M559	L495-I557 HydrophobicContact CD1-CD1 3.89Å; L495-I557 HydrophobicContact CD2-CD1 4.06Å; L495-I557 HydrophobicContact CD2-CG1 4.41Å; V505-I557 CarbonylContact O-C 3.57Å; V505-I557 WeakPolarHBondContact O-CA 3.45Å; I507-I557 HydrophobicContact CD1-CG2 3.61Å; I507-I557 HydrophobicContact CG1-CG2 3.94Å; Y527-I557 HydrophobicContact CD2-CD1 3.99Å; Y527-I557 HydrophobicContact CG-CD1 4.12Å; E528-I557 PolarHBondContact O-N 2.93Å; Y529-I557 CarbonylContact C-O 3.52Å; Y529-I557 WeakPolarHBondContact CA-O 3.43Å; Y529-I557 WeakPolarHBondContact CB-O 3.46Å; C530-I557 PolarHBondContact N-O 3.42Å; I557-M559 HydrophobicContact CG2-CG 3.87Å
558	F	96.5	Very high	84.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.8	164.9	-154.1	-45.1	0	0	0	108.4	V505 L506 I507 C530 L532 A544 I545 F548 L560 L571	V505-F558 PolarHBondContact O-N 3.2Å; L506-F558 CarbonylContact C-O 3.58Å; L506-F558 WeakPolarHBondContact CA-O 3.11Å; L506-F558 HydrophobicContact CD2-CB 3.59Å; L506-F558 HydrophobicContact CD2-CG 4.37Å; I507-F558 PolarHBondContact N-O 3.33Å; C530-F558 HydrophobicContact CB-CD1 4.01Å; C530-F558 HydrophobicContact CB-CD2 3.86Å; C530-F558 HydrophobicContact CB-CE1 4.02Å; C530-F558 HydrophobicContact CB-CE2 3.88Å; C530-F558 HydrophobicContact CB-CG 3.92Å; C530-F558 HydrophobicContact CB-CZ 3.96Å; C530-F558 CarbonylContact O-C 3.58Å; C530-F558 WeakPolarHBondContact O-CA 3.49Å; L532-F558 HydrophobicContact CB-CE1 3.57Å; L532-F558 HydrophobicContact CB-CZ 4.15Å; L532-F558 HydrophobicContact CD1-CE1 4.24Å; L532-F558 HydrophobicContact CD1-CZ 4.13Å; A544-F558 HydrophobicContact CB-CE2 4.44Å; A544-F558 HydrophobicContact CB-CZ 4.07Å; I545-F558 HydrophobicContact CG1-CE2 4.34Å; I545-F558 HydrophobicContact CG1-CZ 4.34Å; F548-F558 HydrophobicContact CB-CD2 3.68Å; F548-F558 HydrophobicContact CB-CE2 3.97Å; F548-F558 AromaticContact CD1-CD2 3.84Å; F548-F558 HydrophobicContact CD1-CD2 3.84Å; F548-F558 HydrophobicContact CD2-CB 4.03Å; F548-F558 AromaticContact CD2-CD2 3.87Å; F548-F558 HydrophobicContact CD2-CD2 3.87Å; F548-F558 HydrophobicContact CD2-CG 4.43Å; F548-F558 HydrophobicContact CE1-CB 4.48Å; F548-F558 HydrophobicContact CE1-CD2 4.39Å; F548-F558 HydrophobicContact CE2-CB 3.82Å; F548-F558 HydrophobicContact CE2-CD2 4.42Å; F548-F558 HydrophobicContact CG-CB 4.44Å; F548-F558 AromaticContact CG-CD2 3.53Å; F548-F558 HydrophobicContact CG-CD2 3.53Å; F548-F558 HydrophobicContact CG-CE2 4.3Å; F548-F558 HydrophobicContact CG-CG 4.46Å; F548-F558 HydrophobicContact CZ-CB 4.04Å; F558-L560 HydrophobicContact CB-CD1 4.16Å; F558-L560 HydrophobicContact CD1-CD1 3.47Å; F558-L560 VanDerWaalsContact CD1-CD1 3.47Å; F558-L560 HydrophobicContact CD1-CD2 4.21Å; F558-L560 HydrophobicContact CD1-CG 3.63Å; F558-L560 HydrophobicContact CE1-CD1 4.18Å; F558-L560 HydrophobicContact CE1-CD2 4.09Å; F558-L560 HydrophobicContact CE1-CG 3.87Å; F558-L560 HydrophobicContact CG-CD1 4.01Å; F558-L560 WeakPolarHBondContact O-CD1 3.4Å; F558-L571 HydrophobicContact CD2-CD1 4.28Å; F558-L571 HydrophobicContact CD2-CD2 3.8Å; F558-L571 HydrophobicContact CE2-CD1 4.5Å; F558-L571 HydrophobicContact CE2-CD2 3.77Å; F558-L571 HydrophobicContact CG-CD1 4.44Å
559	M	95.3	Very high	83.9	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.6	175.5	-69.2	-176.4	-74	0	0	110.4	I507 L515 L518 E519 Y529 C530 R531 L532 I557	I507-M559 HydrophobicContact CB-CG 4.36Å; I507-M559 CarbonylContact O-C 3.55Å; I507-M559 WeakPolarHBondContact O-CA 3.01Å; L515-M559 HydrophobicContact CD2-CB 4.27Å; L518-M559 HydrophobicContact CB-SD 3.38Å; L518-M559 WeakPolarHBondContact CB-SD 3.37Å; L518-M559 HydrophobicContact CD1-SD 4.27Å; L518-M559 HydrophobicContact CG-SD 4.46Å; E519-M559 HydrophobicContact CB-CE 4.44Å; E519-M559 HydrophobicContact CG-CE 3.52Å; Y529-M559 HydrophobicContact CD1-CE 4.25Å; Y529-M559 HydrophobicContact CD2-CE 3.18Å; Y529-M559 HydrophobicContact CE2-CE 3.56Å; Y529-M559 HydrophobicContact CG-CE 3.58Å; C530-M559 PolarHBondContact O-N 3.07Å; R531-M559 CarbonylContact C-O 3.58Å; R531-M559 WeakPolarHBondContact CA-O 3.22Å; L532-M559 PolarHBondContact N-O 3.28Å; I557-M559 HydrophobicContact CG2-CG 3.87Å
560	L	93.4	Very high	83.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138	179.4	-59.5	100.7	0	0	0	110.6	L506 I507 F508 S509 L532 F558 T562 I569 L571	L506-L560 HydrophobicContact CB-CD1 4.41Å; L506-L560 HydrophobicContact CD2-CD1 4.36Å; I507-L560 PolarHBondContact O-N 3.31Å; F508-L560 VanDerWaalsContact CA-O 3.3Å; F508-L560 WeakPolarHBondContact CA-O 3.29Å; F508-L560 HydrophobicContact CD1-CB 3.62Å; F508-L560 HydrophobicContact CD1-CD1 4.4Å; F508-L560 HydrophobicContact CE1-CB 3.56Å; F508-L560 HydrophobicContact CE1-CD1 3.82Å; F508-L560 HydrophobicContact CE1-CD2 4.1Å; F508-L560 HydrophobicContact CE1-CG 4.04Å; F508-L560 HydrophobicContact CZ-CD1 4.03Å; S509-L560 PolarHBondContact N-O 3.34Å; S509-L560 VanDerWaalsContact N-O 3.13Å; L532-L560 HydrophobicContact CB-CD2 4.38Å; L532-L560 HydrophobicContact CB-CG 4.46Å; L532-L560 HydrophobicContact CD1-CD2 4.4Å; L532-L560 VanDerWaalsContact O-CA 3.31Å; L532-L560 WeakPolarHBondContact O-CA 3.33Å; F558-L560 HydrophobicContact CB-CD1 4.16Å; F558-L560 HydrophobicContact CD1-CD1 3.47Å; F558-L560 VanDerWaalsContact CD1-CD1 3.47Å; F558-L560 HydrophobicContact CD1-CD2 4.21Å; F558-L560 HydrophobicContact CD1-CG 3.63Å; F558-L560 HydrophobicContact CE1-CD1 4.18Å; F558-L560 HydrophobicContact CE1-CD2 4.09Å; F558-L560 HydrophobicContact CE1-CG 3.87Å; F558-L560 HydrophobicContact CG-CD1 4.01Å; F558-L560 WeakPolarHBondContact O-CD1 3.4Å; L560-T562 PolarHBondContact O-N 3.32Å; L560-I569 HydrophobicContact CD2-CD1 3.46Å; L560-I569 VanDerWaalsContact CD2-CD1 3.46Å; L560-L571 HydrophobicContact CD1-CD1 4.14Å; L560-L571 HydrophobicContact CD2-CD1 3.99Å
561	S	89.1	Confident	83.4	Confident	10 Å²	10	38.9 Å²	38.9	7%	0.07	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.2	160.8	69.7	0	0	0	0	108.9	S509 L532 R563 A564 G565	S509-S561 CarbonylContact O-C 3.56Å; S509-S561 WeakPolarHBondContact O-CA 3.27Å; L532-S561 PolarHBondContact O-N 3.04Å; S561-R563 PolarHBondContact O-N 2.91Å; S561-R563 VanDerWaalsContact O-N 3.12Å; S561-A564 CarbonylContact O-C 3.54Å; S561-A564 WeakPolarHBondContact O-CA 3.4Å; S561-A564 PolarHBondContact O-N 3.32Å; S561-A564 WeakPolarHBondContact OG-CB 3.36Å; S561-A564 PolarHBondContact OG-N 2.9Å; S561-G565 PolarHBondContact O-N 2.92Å
562	T	78.3	Confident	83.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-34	-174.6	-39.7	0	0	0	0	112	S509 Q510 L560 G565 G566 V588 A592	S509-T562 VanDerWaalsContact C-OG1 3.24Å; S509-T562 PolarHBondContact O-N 3.47Å; S509-T562 PolarHBondContact O-OG1 3.05Å; Q510-T562 PolarHBondContact N-OG1 3.44Å; Q510-T562 PolarHBondContact NE2-OG1 3.27Å; L560-T562 PolarHBondContact O-N 3.32Å; T562-G565 CarbonylContact O-C 3.48Å; T562-G565 PolarHBondContact O-N 3Å; T562-G566 PolarHBondContact O-N 3.4Å; T562-V588 HydrophobicContact CG2-CG1 3.78Å; T562-A592 HydrophobicContact CG2-CB 4.13Å
563	R	73.6	Confident	83.5	Confident	196 Å²	196	27.8 Å²	27.8	74%	0.74	15%	0.152	S	C	*	.	H	α-helix	trans	-66.7	-38.5	173.7	-67.9	-171.4	178.8	-160.5	0.2	113.4	S561 G565 G566	S561-R563 PolarHBondContact O-N 2.91Å; S561-R563 VanDerWaalsContact O-N 3.12Å; R563-G565 VanDerWaalsContact C-N 3.33Å; R563-G566 PolarHBondContact O-N 3.35Å
564	A	71.3	Confident	83.6	Confident	4 Å²	4	26.6 Å²	26.6	3%	0.033	14%	0.143	C	C	.	.	H	α-helix	trans	-75.6	-26	173	0	0	0	0	0	112.1	L532 S561 G566 L567	L532-A564 HydrophobicContact CD2-CB 3.38Å; S561-A564 CarbonylContact O-C 3.54Å; S561-A564 WeakPolarHBondContact O-CA 3.4Å; S561-A564 PolarHBondContact O-N 3.32Å; S561-A564 WeakPolarHBondContact OG-CB 3.36Å; S561-A564 PolarHBondContact OG-N 2.9Å; A564-G566 VanDerWaalsContact C-N 3.33Å; A564-L567 HydrophobicContact CB-CD1 4.09Å; A564-L567 WeakPolarHBondContact O-CB 3.02Å; A564-L567 VanDerWaalsContact O-CD1 3.27Å; A564-L567 WeakPolarHBondContact O-CD1 3.14Å; A564-L567 WeakPolarHBondContact O-CG 3.19Å; A564-L567 PolarHBondContact O-N 3.08Å
565	G	59	Low	83.7	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.8	-28.6	169.7	0	0	0	0	0	114	S561 T562 R563 L567 R595	S561-G565 PolarHBondContact O-N 2.92Å; T562-G565 CarbonylContact O-C 3.48Å; T562-G565 PolarHBondContact O-N 3Å; R563-G565 VanDerWaalsContact C-N 3.33Å; G565-L567 PolarHBondContact O-N 3.46Å; G565-R595 VanDerWaalsContact O-CD 3.27Å; G565-R595 WeakPolarHBondContact O-CD 3.37Å; G565-R595 WeakPolarHBondContact O-CG 3.24Å
566	G	61.1	Low	83.8	Confident	21 Å²	21	21 Å²	21	22%	0.216	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.5	170.7	0	0	0	0	0	113.9	T562 R563 A564	T562-G566 PolarHBondContact O-N 3.4Å; R563-G566 PolarHBondContact O-N 3.35Å; A564-G566 VanDerWaalsContact C-N 3.33Å
567	L	64.6	Low	83.8	Confident	41 Å²	41	20.1 Å²	20.1	22%	0.215	11%	0.107	C	C	.	.	S	Bend	trans	-74.4	151.5	176.1	-52	172.6	0	0	0	110.3	S242 A564 G565 I569 R595	S242-L567 VanDerWaalsContact CB-CD2 3.47Å; S242-L567 WeakPolarHBondContact OG-CD2 3.47Å; A564-L567 HydrophobicContact CB-CD1 4.09Å; A564-L567 WeakPolarHBondContact O-CB 3.02Å; A564-L567 VanDerWaalsContact O-CD1 3.27Å; A564-L567 WeakPolarHBondContact O-CD1 3.14Å; A564-L567 WeakPolarHBondContact O-CG 3.19Å; A564-L567 PolarHBondContact O-N 3.08Å; G565-L567 PolarHBondContact O-N 3.46Å; L567-I569 PolarHBondContact O-N 3.38Å; L567-R595 PolarHBondContact O-NH1 2.95Å
568	G	66.1	Low	83.7	Confident	15 Å²	15	20.1 Å²	20.1	16%	0.155	11%	0.107	C	C	.	.	S	Bend	trans	-67	31.9	-171.1	0	0	0	0	0	117.5	R595	G568-R595 VanDerWaalsContact C-NH1 3.28Å; G568-R595 VanDerWaalsContact CA-NH1 3.33Å
569	I	77.5	Confident	83.7	Confident	11 Å²	11	20.1 Å²	20.1	6%	0.056	11%	0.107	C	C	.	.			trans	-76.3	159	-178.1	64.7	179.7	0	0	0	112.4	L532 I545 L560 L567 L571 R595	L532-I569 HydrophobicContact CD1-CD1 4.19Å; I545-I569 HydrophobicContact CD1-CB 3.98Å; I545-I569 HydrophobicContact CD1-CG2 3.64Å; L560-I569 HydrophobicContact CD2-CD1 3.46Å; L560-I569 VanDerWaalsContact CD2-CD1 3.46Å; L567-I569 PolarHBondContact O-N 3.38Å; I569-L571 HydrophobicContact CD1-CD1 3.77Å; I569-L571 HydrophobicContact CD1-CG 4.32Å; I569-L571 HydrophobicContact CG1-CD1 4.36Å; I569-L571 HydrophobicContact CG1-CG 4.49Å; I569-R595 HydrophobicContact CG1-CG 4.24Å; I569-R595 VanDerWaalsContact O-CD 3.32Å; I569-R595 WeakPolarHBondContact O-CD 3.23Å; I569-R595 PolarHBondContact O-NH1 3.44Å
570	N	84	Confident	83.8	Confident	66 Å²	66	20.1 Å²	20.1	35%	0.353	11%	0.107	S	C	.	.			trans	-117.4	115.6	177.9	-178.2	11.9	0	0	0	110.4	N549 A572	N549-N570 PolarHBondContact ND2-O 3.37Å; N570-A572 WeakPolarHBondContact OD1-CB 3.44Å; N570-A572 PolarHBondContact OD1-N 2.85Å
571	L	89.4	Confident	83.8	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.			trans	-128.3	35.4	-179.4	-62.6	172.7	0	0	0	110.6	L506 I545 F548 F558 L560 I569 S573 A574 R595	L506-L571 HydrophobicContact CD1-CB 3.95Å; L506-L571 HydrophobicContact CD1-CD1 4.06Å; L506-L571 HydrophobicContact CD2-CB 4.14Å; L506-L571 HydrophobicContact CD2-CD1 3.85Å; I545-L571 HydrophobicContact CG1-CD2 4.43Å; I545-L571 HydrophobicContact CG2-CD2 4.41Å; F548-L571 HydrophobicContact CD1-CD2 3.84Å; F548-L571 HydrophobicContact CE1-CD2 4.33Å; F558-L571 HydrophobicContact CD2-CD1 4.28Å; F558-L571 HydrophobicContact CD2-CD2 3.8Å; F558-L571 HydrophobicContact CE2-CD1 4.5Å; F558-L571 HydrophobicContact CE2-CD2 3.77Å; F558-L571 HydrophobicContact CG-CD1 4.44Å; L560-L571 HydrophobicContact CD1-CD1 4.14Å; L560-L571 HydrophobicContact CD2-CD1 3.99Å; I569-L571 HydrophobicContact CD1-CD1 3.77Å; I569-L571 HydrophobicContact CD1-CG 4.32Å; I569-L571 HydrophobicContact CG1-CD1 4.36Å; I569-L571 HydrophobicContact CG1-CG 4.49Å; L571-S573 PolarHBondContact O-N 3.36Å; L571-A574 PolarHBondContact O-N 2.63Å; L571-R595 CarbonylContact C-O 3.52Å; L571-R595 HydrophobicContact CB-CB 4.43Å; L571-R595 PolarHBondContact N-O 2.91Å
572	A	87.5	Confident	83.8	Confident	11 Å²	11	20 Å²	20	9%	0.091	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-3.8	-178.7	0	0	0	0	0	114.4	N570 A574 R595 Q601	N570-A572 WeakPolarHBondContact OD1-CB 3.44Å; N570-A572 PolarHBondContact OD1-N 2.85Å; A572-A574 VanDerWaalsContact C-N 3.3Å; A572-R595 PolarHBondContact N-O 2.93Å; A572-Q601 PolarHBondContact O-NE2 3.1Å; A572-Q601 VanDerWaalsContact O-NE2 3.12Å
573	S	91.2	Very high	84.2	Confident	37 Å²	37	20.9 Å²	20.9	26%	0.259	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-19.1	169.8	62.1	0	0	0	0	113.2	F548 N549 L571	F548-S573 WeakPolarHBondContact CD1-OG 3.41Å; F548-S573 WeakPolarHBondContact CE1-OG 3.17Å; N549-S573 WeakPolarHBondContact OD1-CB 3.43Å; N549-S573 PolarHBondContact OD1-OG 2.98Å; L571-S573 PolarHBondContact O-N 3.36Å
574	A	94.5	Very high	84.5	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.088	C	C	.	.			trans	-82	131	172.4	0	0	0	0	0	111.5	R504 L506 F548 L571 A572 A596 Q601	R504-A574 HydrophobicContact CB-CB 4.34Å; R504-A574 WeakPolarHBondContact O-CA 3.35Å; R504-A574 WeakPolarHBondContact O-CB 3.2Å; L506-A574 HydrophobicContact CD1-CB 4.07Å; L506-A574 HydrophobicContact CD2-CB 3.68Å; L506-A574 HydrophobicContact CG-CB 3.52Å; F548-A574 HydrophobicContact CE1-CB 3.99Å; F548-A574 HydrophobicContact CZ-CB 3.98Å; L571-A574 PolarHBondContact O-N 2.63Å; A572-A574 VanDerWaalsContact C-N 3.3Å; A574-A596 HydrophobicContact CB-CB 4.36Å; A574-Q601 PolarHBondContact O-NE2 3.21Å
575	D	95.3	Very high	84.6	Confident	11 Å²	11	17.3 Å²	17.3	6%	0.059	10%	0.101	C	C	.	.			trans	-102.8	-6	173.6	62.1	-55.8	0	0	0	112.4	S503 R504 K603 V605 R606	S503-D575 VanDerWaalsContact CA-OD1 3.26Å; S503-D575 WeakPolarHBondContact CA-OD1 3.13Å; S503-D575 WeakPolarHBondContact CB-OD1 3.45Å; S503-D575 WeakPolarHBondContact CB-OD2 3.3Å; S503-D575 PolarHBondContact OG-OD1 3Å; S503-D575 PolarHBondContact OG-OD2 3.4Å; R504-D575 PolarHBondContact N-OD1 3.45Å; R504-D575 PolarHBondContact O-N 3.27Å; D575-K603 HydrophobicContact CB-CB 3.83Å; D575-K603 HydrophobicContact CB-CD 3.98Å; D575-V605 CarbonylContact O-C 3.41Å; D575-V605 VanDerWaalsContact O-CA 3.32Å; D575-V605 WeakPolarHBondContact O-CA 3.5Å; D575-R606 PolarHBondContact O-N 3.39Å; D575-R606 IonicContact OD2-NH2 3.65Å
576	V	97.2	Very high	85.6	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.3	177.7	-176.6	0	0	0	0	111.4	L498 R504 V505 L506 I578 R606 F608	L498-V576 HydrophobicContact CD1-CB 4.4Å; L498-V576 HydrophobicContact CD1-CG1 3.75Å; L498-V576 HydrophobicContact CD1-CG2 4.38Å; L498-V576 HydrophobicContact CD2-CG2 3.88Å; R504-V576 PolarHBondContact O-N 2.83Å; V505-V576 WeakPolarHBondContact CA-O 3.19Å; V505-V576 HydrophobicContact CG1-CG1 4.28Å; V505-V576 HydrophobicContact CG2-CB 4.22Å; L506-V576 PolarHBondContact N-O 3.28Å; V576-I578 HydrophobicContact CG1-CG1 4.24Å; V576-R606 CarbonylContact C-O 3.56Å; V576-R606 WeakPolarHBondContact CA-O 3.42Å; V576-F608 HydrophobicContact CG1-CD2 3.66Å; V576-F608 HydrophobicContact CG1-CE2 3.64Å
577	V	96.4	Very high	86.4	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.9	172.7	178.2	0	0	0	0	108.8	L506 F508 L579 M593 A596 V605 R606 V607 F608	L506-V577 HydrophobicContact CB-CG2 4.4Å; L506-V577 HydrophobicContact CD1-CG2 4.27Å; L506-V577 CarbonylContact O-C 3.54Å; L506-V577 WeakPolarHBondContact O-CA 3.38Å; F508-V577 HydrophobicContact CD2-CG1 3.67Å; F508-V577 HydrophobicContact CE2-CG1 3.66Å; V577-L579 HydrophobicContact CG1-CD2 4.2Å; V577-M593 HydrophobicContact CG1-CG 4.43Å; V577-A596 HydrophobicContact CG2-CB 3.7Å; V577-V605 HydrophobicContact CG2-CG1 4.24Å; V577-R606 PolarHBondContact N-O 3.2Å; V577-V607 HydrophobicContact CB-CG1 4.29Å; V577-V607 HydrophobicContact CB-CG2 4.22Å; V577-V607 HydrophobicContact CG1-CG1 4.28Å; V577-V607 CarbonylContact O-C 3.57Å; V577-V607 VanDerWaalsContact O-CA 3.26Å; V577-V607 WeakPolarHBondContact O-CA 3.41Å; V577-F608 PolarHBondContact O-N 2.9Å
578	I	97.3	Very high	87.1	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.5	173.9	-57.4	179	0	0	0	107.5	L491 L494 L495 L498 V505 L506 I507 F508 V576 Y580 F608 L610	L491-I578 HydrophobicContact CD1-CD1 3.65Å; L491-I578 HydrophobicContact CD1-CG2 4.18Å; L494-I578 HydrophobicContact CD2-CD1 3.82Å; L494-I578 HydrophobicContact CD2-CG1 4.4Å; L494-I578 HydrophobicContact CG-CD1 4.48Å; L495-I578 HydrophobicContact CD2-CD1 4.22Å; L498-I578 HydrophobicContact CD1-CD1 4.41Å; V505-I578 HydrophobicContact CG1-CD1 3.65Å; V505-I578 HydrophobicContact CG1-CG1 3.92Å; L506-I578 PolarHBondContact O-N 3.09Å; I507-I578 WeakPolarHBondContact CA-O 3.49Å; I507-I578 HydrophobicContact CG1-CB 4.33Å; I507-I578 HydrophobicContact CG1-CD1 4.45Å; F508-I578 PolarHBondContact N-O 2.8Å; V576-I578 HydrophobicContact CG1-CG1 4.24Å; I578-Y580 PolarHBondContact O-N 3.3Å; I578-F608 CarbonylContact C-O 3.47Å; I578-F608 VanDerWaalsContact CA-O 3.32Å; I578-F608 WeakPolarHBondContact CA-O 3.38Å; I578-F608 HydrophobicContact CG1-CB 4.4Å; I578-F608 HydrophobicContact CG1-CD2 4.35Å; I578-L610 HydrophobicContact CG2-CD1 4.21Å; I578-L610 HydrophobicContact CG2-CG 4.2Å
579	L	95.8	Very high	88.1	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	96.3	168	-58.2	179.7	0	0	0	106.8	F508 V577 D581 D589 M593 V607 F608 R609 L610	F508-L579 HydrophobicContact CB-CD2 3.85Å; F508-L579 HydrophobicContact CD2-CD2 3.9Å; F508-L579 HydrophobicContact CG-CD2 4.19Å; V577-L579 HydrophobicContact CG1-CD2 4.2Å; L579-D581 VanDerWaalsContact C-N 3.28Å; L579-D581 PolarHBondContact O-N 3.33Å; L579-D589 HydrophobicContact CD1-CB 4.08Å; L579-M593 HydrophobicContact CD1-CE 4.2Å; L579-M593 HydrophobicContact CD1-CG 4.46Å; L579-V607 HydrophobicContact CD1-CG1 4.35Å; L579-V607 HydrophobicContact CG-CG1 4.37Å; L579-F608 PolarHBondContact N-O 3.26Å; L579-R609 HydrophobicContact CB-CB 4.48Å; L579-R609 HydrophobicContact CB-CG 4.36Å; L579-L610 PolarHBondContact O-N 3.45Å
580	Y	96.8	Very high	88.5	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-66.3	-36.7	-178.1	-168.2	-76.7	0	0	0	110.7	N461 K487 M488 L491 F508 L514 L518 I578 L610	N461-Y580 HydrophobicContact CB-CE1 4.18Å; N461-Y580 PolarHBondContact O-OH 2.83Å; K487-Y580 HydrophobicContact CB-CE1 4.02Å; K487-Y580 HydrophobicContact CB-CE2 3.98Å; K487-Y580 WeakPolarHBondContact CB-OH 3.32Å; K487-Y580 HydrophobicContact CD-CD1 3.91Å; K487-Y580 HydrophobicContact CD-CE1 3.49Å; K487-Y580 VanDerWaalsContact CD-CE1 3.49Å; K487-Y580 HydrophobicContact CG-CE1 4.43Å; K487-Y580 PolarHBondContact NZ-O 3.41Å; M488-Y580 WeakPolarHBondContact CG-OH 3.45Å; M488-Y580 HydrophobicContact SD-CE2 3.92Å; M488-Y580 PolarHBondContact SD-OH 3.26Å; L491-Y580 HydrophobicContact CD2-CD2 4.09Å; L491-Y580 HydrophobicContact CD2-CE2 3.9Å; F508-Y580 WeakPolarHBondContact O-CB 3.45Å; F508-Y580 PolarHBondContact O-N 3.49Å; L514-Y580 HydrophobicContact CD1-CE1 3.89Å; L514-Y580 HydrophobicContact CD2-CD1 3.2Å; L514-Y580 HydrophobicContact CD2-CE1 3.31Å; L514-Y580 HydrophobicContact CD2-CG 4.06Å; L514-Y580 HydrophobicContact CG-CD1 4.26Å; L514-Y580 HydrophobicContact CG-CE1 4.09Å; L518-Y580 HydrophobicContact CD2-CD2 4.45Å; L518-Y580 HydrophobicContact CD2-CE2 4.16Å; I578-Y580 PolarHBondContact O-N 3.3Å; Y580-L610 HydrophobicContact CD2-CD1 4.02Å; Y580-L610 HydrophobicContact CE2-CD1 4.39Å; Y580-L610 HydrophobicContact CG-CD1 4.48Å
581	D	93.9	Very high	88.4	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-141.2	159	168.3	58.6	45.4	0	0	0	110.4	N461 S509 Q510 L579	N461-D581 PolarHBondContact ND2-OD2 3.12Å; N461-D581 WeakPolarHBondContact OD1-CB 3.47Å; S509-D581 WeakPolarHBondContact CA-OD1 3.19Å; S509-D581 PolarHBondContact OG-OD2 3.03Å; Q510-D581 WeakPolarHBondContact CB-OD1 3.39Å; Q510-D581 WeakPolarHBondContact CG-OD1 3.48Å; Q510-D581 PolarHBondContact N-OD1 3.35Å; Q510-D581 PolarHBondContact N-OD2 3.44Å; L579-D581 VanDerWaalsContact C-N 3.28Å; L579-D581 PolarHBondContact O-N 3.33Å
582	S	90.1	Very high	88.2	Confident	7 Å²	7	16.6 Å²	16.6	5%	0.049	9%	0.088	C	C	.	.			trans	-103.9	142.8	-172.1	-55.7	0	0	0	0	112	R457 R609 V621	R457-S582 PolarHBondContact NH1-O 3.08Å; R457-S582 PolarHBondContact NH2-O 2.74Å; S582-R609 VanDerWaalsContact CB-NH1 3.31Å; S582-R609 PolarHBondContact OG-NH1 3.39Å; S582-V621 WeakPolarHBondContact OG-CG2 3.38Å
583	D	86.6	Confident	88.3	Confident	19 Å²	19	16.2 Å²	16.2	10%	0.102	8%	0.084	C	C	.	.			trans	-70	156.8	168	-152.8	-70.3	0	0	0	110.8	Q510 N585 V588 D589	Q510-D583 VanDerWaalsContact CD-OD2 3.3Å; Q510-D583 VanDerWaalsContact NE2-CG 3.32Å; Q510-D583 PolarHBondContact NE2-OD2 3.46Å; Q510-D583 PolarHBondContact OE1-OD2 2.74Å; D583-N585 PolarHBondContact OD1-N 3.3Å; D583-V588 HydrophobicContact CB-CB 3.98Å; D583-V588 HydrophobicContact CB-CG1 4.34Å; D583-D589 WeakPolarHBondContact CB-OD1 3.22Å; D583-D589 PolarHBondContact N-OD1 2.99Å; D583-D589 VanDerWaalsContact N-OD1 3.15Å; D583-D589 PolarHBondContact N-OD2 3.35Å
584	W	78.7	Confident	88	Confident	67 Å²	67	14.7 Å²	14.7	25%	0.254	7%	0.073	S	C	.	.	S	Bend	trans	-69.1	-26.7	167.1	-66	100.3	0	0	0	111.9	L453 R457 P586 I620 L648 M656	L453-W584 HydrophobicContact CD1-CH2 4.04Å; L453-W584 HydrophobicContact CD1-CZ2 4.32Å; L453-W584 HydrophobicContact CD2-CH2 4.36Å; R457-W584 VanDerWaalsContact NH1-NE1 3.13Å; W584-P586 WeakPolarHBondContact O-CD 3.4Å; W584-I620 HydrophobicContact CD2-CG1 4.4Å; W584-I620 HydrophobicContact CD2-CG2 4.32Å; W584-I620 HydrophobicContact CE3-CB 4.43Å; W584-I620 HydrophobicContact CE3-CG1 3.85Å; W584-I620 HydrophobicContact CE3-CG2 4.01Å; W584-I620 HydrophobicContact CH2-CD1 3.65Å; W584-I620 HydrophobicContact CH2-CG1 3.43Å; W584-I620 VanDerWaalsContact CH2-CG1 3.43Å; W584-I620 HydrophobicContact CZ2-CD1 3.71Å; W584-I620 HydrophobicContact CZ2-CG1 3.98Å; W584-I620 HydrophobicContact CZ3-CB 4.33Å; W584-I620 HydrophobicContact CZ3-CD1 4.1Å; W584-I620 HydrophobicContact CZ3-CG1 3.39Å; W584-I620 HydrophobicContact CZ3-CG2 4.4Å; W584-L648 HydrophobicContact CD2-CD1 3.75Å; W584-L648 HydrophobicContact CE3-CD1 3.21Å; W584-L648 HydrophobicContact CE3-CD2 4.31Å; W584-L648 HydrophobicContact CE3-CG 4.33Å; W584-L648 HydrophobicContact CG-CD1 4.43Å; W584-L648 HydrophobicContact CH2-CD1 4.09Å; W584-L648 HydrophobicContact CH2-CD2 4.1Å; W584-L648 HydrophobicContact CZ3-CD1 3.36Å; W584-L648 HydrophobicContact CZ3-CD2 3.59Å; W584-L648 HydrophobicContact CZ3-CG 4.09Å; W584-M656 HydrophobicContact CH2-CE 3.71Å; W584-M656 HydrophobicContact CH2-SD 4.27Å; W584-M656 HydrophobicContact CZ3-CE 3.74Å; W584-M656 HydrophobicContact CZ3-SD 4Å
585	N	74.3	Confident	87.5	Confident	57 Å²	57	15.1 Å²	15.1	31%	0.305	8%	0.075	S	C	.	.	S	Bend	trans	-101.1	102.8	178	-167.6	36.5	0	0	0	109.9	D583 Q587 V588 K627	D583-N585 PolarHBondContact OD1-N 3.3Å; N585-Q587 PolarHBondContact O-N 3.34Å; N585-Q587 PolarHBondContact OD1-OE1 2.72Å; N585-V588 HydrophobicContact CB-CG2 3.96Å; N585-V588 WeakPolarHBondContact O-CB 3.49Å; N585-V588 PolarHBondContact O-N 2.8Å; N585-K627 PolarHBondContact OD1-NZ 3.2Å
586	P	80.4	Confident	87.2	Confident	4 Å²	4	14.6 Å²	14.6	3%	0.026	7%	0.072	C	C	.	.	H	α-helix	trans	-63.7	-21.3	-171.2	29.8	-39.5	0	0	0	113.3	W584 V588 D589 L590 A624 K627 L628	W584-P586 WeakPolarHBondContact O-CD 3.4Å; P586-V588 VanDerWaalsContact C-N 3.26Å; P586-V588 PolarHBondContact O-N 2.79Å; P586-D589 PolarHBondContact O-N 3.03Å; P586-L590 PolarHBondContact O-N 3.49Å; P586-A624 HydrophobicContact CB-CB 3.77Å; P586-A624 HydrophobicContact CG-CB 4.2Å; P586-A624 WeakPolarHBondContact CG-O 3.35Å; P586-K627 HydrophobicContact CG-CB 4.35Å; P586-K627 HydrophobicContact CG-CD 4.25Å; P586-K627 HydrophobicContact CG-CG 4.37Å; P586-L628 HydrophobicContact CB-CD1 3.73Å; P586-L628 HydrophobicContact CB-CD2 3.63Å; P586-L628 HydrophobicContact CB-CG 3.42Å; P586-L628 VanDerWaalsContact CB-CG 3.42Å; P586-L628 HydrophobicContact CG-CD1 4.42Å; P586-L628 HydrophobicContact CG-CD2 3.57Å; P586-L628 HydrophobicContact CG-CG 3.57Å
587	Q	76.7	Confident	86.8	Confident	24 Å²	24	15.2 Å²	15.2	11%	0.112	8%	0.075	C	C	.	.	H	α-helix	trans	-57	-40.9	171.3	-75.4	73.9	17.2	0	0	111.8	T341 N585 D589 L590 Q591 D631	T341-Q587 HydrophobicContact CG2-CB 4.41Å; T341-Q587 HydrophobicContact CG2-CG 3.75Å; N585-Q587 PolarHBondContact O-N 3.34Å; N585-Q587 PolarHBondContact OD1-OE1 2.72Å; Q587-D589 VanDerWaalsContact C-N 3.31Å; Q587-D589 PolarHBondContact O-N 3.4Å; Q587-L590 WeakPolarHBondContact O-CB 3.4Å; Q587-L590 PolarHBondContact O-N 2.77Å; Q587-Q591 WeakPolarHBondContact O-CG 3.35Å; Q587-Q591 PolarHBondContact O-N 3.45Å; Q587-D631 PolarHBondContact NE2-OD2 2.52Å
588	V	80.2	Confident	86.3	Confident	28 Å²	28	17.3 Å²	17.3	17%	0.17	8%	0.083	C	C	.	.	H	α-helix	trans	-61.1	-44.1	-178.5	-178.3	0	0	0	0	110	T562 D583 N585 P586 Q591 A592	T562-V588 HydrophobicContact CG2-CG1 3.78Å; D583-V588 HydrophobicContact CB-CB 3.98Å; D583-V588 HydrophobicContact CB-CG1 4.34Å; N585-V588 HydrophobicContact CB-CG2 3.96Å; N585-V588 WeakPolarHBondContact O-CB 3.49Å; N585-V588 PolarHBondContact O-N 2.8Å; P586-V588 VanDerWaalsContact C-N 3.26Å; P586-V588 PolarHBondContact O-N 2.79Å; V588-Q591 WeakPolarHBondContact O-CB 3.48Å; V588-Q591 PolarHBondContact O-N 2.88Å; V588-A592 PolarHBondContact O-N 3.46Å; V588-A592 VanDerWaalsContact O-N 3.08Å
589	D	87.4	Confident	85.3	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-65.7	-40.3	176	-66.7	-3.1	0	0	0	111.9	L579 D583 P586 Q587 Q591 A592 M593 R609	L579-D589 HydrophobicContact CD1-CB 4.08Å; D583-D589 WeakPolarHBondContact CB-OD1 3.22Å; D583-D589 PolarHBondContact N-OD1 2.99Å; D583-D589 VanDerWaalsContact N-OD1 3.15Å; D583-D589 PolarHBondContact N-OD2 3.35Å; P586-D589 PolarHBondContact O-N 3.03Å; Q587-D589 VanDerWaalsContact C-N 3.31Å; Q587-D589 PolarHBondContact O-N 3.4Å; D589-Q591 VanDerWaalsContact C-N 3.32Å; D589-Q591 PolarHBondContact O-N 2.75Å; D589-A592 WeakPolarHBondContact O-CB 3.38Å; D589-A592 PolarHBondContact O-N 3.49Å; D589-M593 HydrophobicContact CB-CE 4.17Å; D589-M593 WeakPolarHBondContact O-CG 3.13Å; D589-M593 PolarHBondContact O-N 2.81Å; D589-R609 IonicContact OD2-CZ 3.9Å; D589-R609 IonicContact OD2-NH1 2.6Å; D589-R609 PolarHBondContact OD2-NH1 3.44Å; D589-R609 IonicContact OD2-NH2 3.68Å
590	L	83.9	Confident	84.6	Confident	55 Å²	55	22 Å²	22	29%	0.288	12%	0.12	S	C	.	.	H	α-helix	trans	-60.7	-39.8	172.9	-73.2	169.6	0	0	0	112.4	P586 Q587 A592 M593 D594 L628	P586-L590 PolarHBondContact O-N 3.49Å; Q587-L590 WeakPolarHBondContact O-CB 3.4Å; Q587-L590 PolarHBondContact O-N 2.77Å; L590-A592 VanDerWaalsContact C-N 3.29Å; L590-A592 PolarHBondContact O-N 3.4Å; L590-M593 HydrophobicContact CD2-CE 3.78Å; L590-M593 HydrophobicContact CG-CE 4.16Å; L590-M593 PolarHBondContact O-N 3.04Å; L590-D594 VanDerWaalsContact O-CB 3.31Å; L590-D594 WeakPolarHBondContact O-CB 3.34Å; L590-D594 VanDerWaalsContact O-CG 3.32Å; L590-D594 PolarHBondContact O-N 3.13Å; L590-L628 HydrophobicContact CD1-CD1 4.02Å; L590-L628 HydrophobicContact CD1-CD2 3.4Å; L590-L628 HydrophobicContact CD1-CG 4.36Å; L590-L628 HydrophobicContact CG-CD1 4.46Å; L590-L628 HydrophobicContact CG-CD2 4.49Å
591	Q	83.1	Confident	84.1	Confident	27 Å²	27	22.8 Å²	22.8	13%	0.126	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-37.7	176.2	-52	-151.1	-37.3	0	0	111.8	M210 Q587 V588 D589 R595	M210-Q591 HydrophobicContact CE-CB 3.67Å; M210-Q591 HydrophobicContact CE-CG 3.67Å; M210-Q591 HydrophobicContact SD-CB 4.03Å; M210-Q591 HydrophobicContact SD-CG 3.47Å; M210-Q591 WeakPolarHBondContact SD-CG 3.42Å; M210-Q591 PolarHBondContact SD-NE2 3.14Å; M210-Q591 VanDerWaalsContact SD-NE2 3.35Å; Q587-Q591 WeakPolarHBondContact O-CG 3.35Å; Q587-Q591 PolarHBondContact O-N 3.45Å; V588-Q591 WeakPolarHBondContact O-CB 3.48Å; V588-Q591 PolarHBondContact O-N 2.88Å; D589-Q591 VanDerWaalsContact C-N 3.32Å; D589-Q591 PolarHBondContact O-N 2.75Å; Q591-R595 PolarHBondContact O-NE 3.42Å; Q591-R595 PolarHBondContact O-NH2 3.32Å
592	A	84.9	Confident	83.8	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.6	-47.6	177.5	0	0	0	0	0	111.4	F508 T562 V588 D589 L590 D594 R595	F508-A592 HydrophobicContact CD1-CB 3.83Å; F508-A592 HydrophobicContact CD2-CB 4.07Å; F508-A592 HydrophobicContact CE1-CB 3.75Å; F508-A592 HydrophobicContact CE2-CB 3.97Å; F508-A592 HydrophobicContact CG-CB 4Å; F508-A592 HydrophobicContact CZ-CB 3.81Å; F508-A592 WeakPolarHBondContact CZ-O 3.25Å; T562-A592 HydrophobicContact CG2-CB 4.13Å; V588-A592 PolarHBondContact O-N 3.46Å; V588-A592 VanDerWaalsContact O-N 3.08Å; D589-A592 WeakPolarHBondContact O-CB 3.38Å; D589-A592 PolarHBondContact O-N 3.49Å; L590-A592 VanDerWaalsContact C-N 3.29Å; L590-A592 PolarHBondContact O-N 3.4Å; A592-D594 VanDerWaalsContact C-N 3.28Å; A592-D594 PolarHBondContact O-N 3.3Å; A592-R595 VanDerWaalsContact O-CB 3.26Å; A592-R595 WeakPolarHBondContact O-CB 3.43Å; A592-R595 VanDerWaalsContact O-CG 3.26Å; A592-R595 WeakPolarHBondContact O-CG 3.43Å; A592-R595 PolarHBondContact O-N 3.48Å; A592-R595 VanDerWaalsContact O-N 3.09Å
593	M	88.7	Confident	83.8	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.02	18%	0.182	C	C	.	.	H	α-helix	trans	-57.7	-41	174.2	-70	-177.2	-106.4	0	0	112.4	V577 L579 D589 L590 R595 A596 H597 V607	V577-M593 HydrophobicContact CG1-CG 4.43Å; L579-M593 HydrophobicContact CD1-CE 4.2Å; L579-M593 HydrophobicContact CD1-CG 4.46Å; D589-M593 HydrophobicContact CB-CE 4.17Å; D589-M593 WeakPolarHBondContact O-CG 3.13Å; D589-M593 PolarHBondContact O-N 2.81Å; L590-M593 HydrophobicContact CD2-CE 3.78Å; L590-M593 HydrophobicContact CG-CE 4.16Å; L590-M593 PolarHBondContact O-N 3.04Å; M593-R595 PolarHBondContact O-N 3.41Å; M593-R595 VanDerWaalsContact O-N 3.14Å; M593-A596 PolarHBondContact O-N 3.37Å; M593-A596 VanDerWaalsContact O-N 3.14Å; M593-H597 PolarHBondContact O-N 3.08Å; M593-V607 HydrophobicContact CG-CG1 3.93Å; M593-V607 HydrophobicContact CG-CG2 4.11Å; M593-V607 HydrophobicContact SD-CB 4.34Å; M593-V607 HydrophobicContact SD-CG1 3.76Å; M593-V607 HydrophobicContact SD-CG2 3.98Å
594	D	85.3	Confident	84.1	Confident	5 Å²	5	39.2 Å²	39.2	3%	0.027	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-1.6	-179.7	-79.5	2	0	0	0	113.9	M210 K400 K410 L590 A592 A596	M210-D594 HydrophobicContact CB-CB 4.41Å; M210-D594 WeakPolarHBondContact CB-OD2 3.33Å; K400-D594 IonicContact NZ-OD1 2.81Å; K400-D594 PolarHBondContact NZ-OD1 3.15Å; K400-D594 IonicContact NZ-OD2 2.57Å; K400-D594 PolarHBondContact NZ-OD2 3.2Å; K410-D594 IonicContact NZ-OD1 3.58Å; K410-D594 PolarHBondContact NZ-OD1 3.28Å; L590-D594 VanDerWaalsContact O-CB 3.31Å; L590-D594 WeakPolarHBondContact O-CB 3.34Å; L590-D594 VanDerWaalsContact O-CG 3.32Å; L590-D594 PolarHBondContact O-N 3.13Å; A592-D594 VanDerWaalsContact C-N 3.28Å; A592-D594 PolarHBondContact O-N 3.3Å; D594-A596 VanDerWaalsContact C-N 3.33Å
595	R	85.5	Confident	84.9	Confident	8 Å²	8	36.1 Å²	36.1	3%	0.03	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-36.6	166.4	-61.4	-52.9	97.1	-178	21.3	111.7	L506 F508 G565 L567 G568 I569 L571 A572 Q591 A592 M593	L506-R595 HydrophobicContact CD1-CB 4.3Å; F508-R595 HydrophobicContact CZ-CG 4.3Å; G565-R595 VanDerWaalsContact O-CD 3.27Å; G565-R595 WeakPolarHBondContact O-CD 3.37Å; G565-R595 WeakPolarHBondContact O-CG 3.24Å; L567-R595 PolarHBondContact O-NH1 2.95Å; G568-R595 VanDerWaalsContact C-NH1 3.28Å; G568-R595 VanDerWaalsContact CA-NH1 3.33Å; I569-R595 HydrophobicContact CG1-CG 4.24Å; I569-R595 VanDerWaalsContact O-CD 3.32Å; I569-R595 WeakPolarHBondContact O-CD 3.23Å; I569-R595 PolarHBondContact O-NH1 3.44Å; L571-R595 CarbonylContact C-O 3.52Å; L571-R595 HydrophobicContact CB-CB 4.43Å; L571-R595 PolarHBondContact N-O 2.91Å; A572-R595 PolarHBondContact N-O 2.93Å; Q591-R595 PolarHBondContact O-NE 3.42Å; Q591-R595 PolarHBondContact O-NH2 3.32Å; A592-R595 VanDerWaalsContact O-CB 3.26Å; A592-R595 WeakPolarHBondContact O-CB 3.43Å; A592-R595 VanDerWaalsContact O-CG 3.26Å; A592-R595 WeakPolarHBondContact O-CG 3.43Å; A592-R595 PolarHBondContact O-N 3.48Å; A592-R595 VanDerWaalsContact O-N 3.09Å; M593-R595 PolarHBondContact O-N 3.41Å; M593-R595 VanDerWaalsContact O-N 3.14Å
596	A	89	Confident	85.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-42.2	176.5	0	0	0	0	0	112	L506 A574 V577 M593 D594 R598 Q601 V605	L506-A596 HydrophobicContact CD1-CB 3.89Å; A574-A596 HydrophobicContact CB-CB 4.36Å; V577-A596 HydrophobicContact CG2-CB 3.7Å; M593-A596 PolarHBondContact O-N 3.37Å; M593-A596 VanDerWaalsContact O-N 3.14Å; D594-A596 VanDerWaalsContact C-N 3.33Å; A596-R598 VanDerWaalsContact C-N 3.26Å; A596-R598 PolarHBondContact O-N 3.46Å; A596-Q601 PolarHBondContact O-NE2 3.25Å; A596-Q601 VanDerWaalsContact O-NE2 3.15Å; A596-V605 HydrophobicContact CB-CG1 4.34Å
597	H	88.2	Confident	86.6	Confident	13 Å²	13	36.4 Å²	36.4	6%	0.06	19%	0.186	C	C	.	.	S	Bend	trans	-83.7	68.8	178	-168	-122.3	0	0	0	111.9	K400 L407 P408 K410 M593 V605	K400-H597 PolarHBondContact NZ-O 2.9Å; L407-H597 WeakPolarHBondContact CD2-NE2 3.48Å; P408-H597 PolarHBondContact O-CD2 3.26Å; P408-H597 PolarHBondContact O-NE2 3.04Å; K410-H597 HydrophobicContact CB-CB 4.41Å; K410-H597 HydrophobicContact CD-CB 4.08Å; K410-H597 WeakPolarHBondContact CD-ND1 3.26Å; M593-H597 PolarHBondContact O-N 3.08Å; H597-V605 HydrophobicContact CB-CB 4.46Å; H597-V605 HydrophobicContact CB-CG2 4.19Å
598	R	84.9	Confident	87.6	Confident	45 Å²	45	35.5 Å²	35.5	17%	0.17	18%	0.182	C	C	.	.	S	Bend	trans	-134.5	161.4	-177.9	-163.5	162	-175.7	-178.7	0.7	111.2	L407 A596 G600 Q601	L407-R598 WeakPolarHBondContact CD1-O 3.41Å; A596-R598 VanDerWaalsContact C-N 3.26Å; A596-R598 PolarHBondContact O-N 3.46Å; R598-G600 PolarHBondContact O-N 3.08Å; R598-Q601 VanDerWaalsContact O-CB 3.27Å; R598-Q601 WeakPolarHBondContact O-CB 3.19Å; R598-Q601 PolarHBondContact O-N 3.05Å
599	I	76.6	Confident	88.3	Confident	46 Å²	46	34.9 Å²	34.9	24%	0.236	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	126.5	172.1	-63.9	169.5	0	0	0	109.6	Y186 G211	Y186-I599 WeakPolarHBondContact OH-CD1 3.04Å; G211-I599 WeakPolarHBondContact O-CD1 3.34Å; G211-I599 VanDerWaalsContact O-CG1 3.29Å; G211-I599 WeakPolarHBondContact O-CG1 3.19Å
600	G	80.4	Confident	88.7	Confident	52 Å²	52	34.9 Å²	34.9	54%	0.536	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	113	-16.6	-172.9	0	0	0	0	0	113.5	R598	R598-G600 PolarHBondContact O-N 3.08Å
601	Q	88.1	Confident	89.2	Confident	17 Å²	17	32.3 Å²	32.3	8%	0.079	16%	0.163	C	C	.	.			trans	-64.4	133.2	173.6	179.3	58.1	-97.3	0	0	111.4	L407 A572 A574 A596 R598 K603 V605	L407-Q601 HydrophobicContact CD1-CB 4Å; A572-Q601 PolarHBondContact O-NE2 3.1Å; A572-Q601 VanDerWaalsContact O-NE2 3.12Å; A574-Q601 PolarHBondContact O-NE2 3.21Å; A596-Q601 PolarHBondContact O-NE2 3.25Å; A596-Q601 VanDerWaalsContact O-NE2 3.15Å; R598-Q601 VanDerWaalsContact O-CB 3.27Å; R598-Q601 WeakPolarHBondContact O-CB 3.19Å; R598-Q601 PolarHBondContact O-N 3.05Å; Q601-K603 VanDerWaalsContact CD-O 3.22Å; Q601-K603 WeakPolarHBondContact CG-O 3.26Å; Q601-K603 PolarHBondContact OE1-O 2.96Å; Q601-V605 HydrophobicContact CG-CG2 3.82Å
602	K	87.3	Confident	89.7	Confident	193 Å²	193	31 Å²	31	84%	0.839	16%	0.157	S	C	*	.			trans	-107.5	-20.3	-178.8	-62.9	-178.9	-179	178.8	0	113.2
603	K	90.1	Very high	89.8	Confident	99 Å²	99	33 Å²	33	43%	0.43	17%	0.167	S	C	.	.	S	Bend	trans	-114.8	152.8	-178.4	-65.1	-176.5	-179.3	-179.2	0	110.7	D575 Q601 V605	D575-K603 HydrophobicContact CB-CB 3.83Å; D575-K603 HydrophobicContact CB-CD 3.98Å; Q601-K603 VanDerWaalsContact CD-O 3.22Å; Q601-K603 WeakPolarHBondContact CG-O 3.26Å; Q601-K603 PolarHBondContact OE1-O 2.96Å; K603-V605 PolarHBondContact O-N 3.39Å
604	P	92.3	Very high	89.6	Confident	79 Å²	79	34.6 Å²	34.6	51%	0.513	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-60.3	136.9	169.3	26.9	-33.9	0	0	0	110.5	P408 P409	P408-P604 HydrophobicContact CB-CB 4.4Å; P409-P604 WeakPolarHBondContact O-CA 3.43Å
605	V	94.5	Very high	89.9	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.5	-177.2	179.5	0	0	0	0	109.9	P409 K410 K411 D575 V577 A596 H597 Q601 K603 V607	P409-V605 PolarHBondContact O-N 3.28Å; P409-V605 VanDerWaalsContact O-N 3.12Å; K410-V605 CarbonylContact C-O 3.49Å; K410-V605 WeakPolarHBondContact CA-O 3.46Å; K410-V605 HydrophobicContact CB-CB 4.07Å; K411-V605 PolarHBondContact N-O 3.15Å; D575-V605 CarbonylContact O-C 3.41Å; D575-V605 VanDerWaalsContact O-CA 3.32Å; D575-V605 WeakPolarHBondContact O-CA 3.5Å; V577-V605 HydrophobicContact CG2-CG1 4.24Å; A596-V605 HydrophobicContact CB-CG1 4.34Å; H597-V605 HydrophobicContact CB-CB 4.46Å; H597-V605 HydrophobicContact CB-CG2 4.19Å; Q601-V605 HydrophobicContact CG-CG2 3.82Å; K603-V605 PolarHBondContact O-N 3.39Å; V605-V607 HydrophobicContact CG1-CG2 4.26Å
606	R	95.5	Very high	89.9	Confident	67 Å²	67	34 Å²	34	25%	0.253	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.9	173.7	-63.1	176.6	-67.7	175.8	-0.8	109.3	L498 S503 D575 V576 V577 F608	L498-R606 VanDerWaalsContact CD2-NH2 3.33Å; S503-R606 PolarHBondContact OG-NH2 3.43Å; D575-R606 PolarHBondContact O-N 3.39Å; D575-R606 IonicContact OD2-NH2 3.65Å; V576-R606 CarbonylContact C-O 3.56Å; V576-R606 WeakPolarHBondContact CA-O 3.42Å; V577-R606 PolarHBondContact N-O 3.2Å; R606-F608 HydrophobicContact CB-CE2 3.96Å; R606-F608 HydrophobicContact CB-CZ 4.04Å
607	V	96	Very high	89.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.7	175.8	-173.6	0	0	0	0	108.5	K411 E412 I413 V577 L579 M593 V605	K411-V607 PolarHBondContact O-N 3.05Å; E412-V607 CarbonylContact C-O 3.57Å; E412-V607 WeakPolarHBondContact CA-O 3.43Å; E412-V607 HydrophobicContact CB-CB 4.26Å; E412-V607 HydrophobicContact CG-CB 4.31Å; E412-V607 HydrophobicContact CG-CG1 4.3Å; I413-V607 PolarHBondContact N-O 2.86Å; V577-V607 HydrophobicContact CB-CG1 4.29Å; V577-V607 HydrophobicContact CB-CG2 4.22Å; V577-V607 HydrophobicContact CG1-CG1 4.28Å; V577-V607 CarbonylContact O-C 3.57Å; V577-V607 VanDerWaalsContact O-CA 3.26Å; V577-V607 WeakPolarHBondContact O-CA 3.41Å; L579-V607 HydrophobicContact CD1-CG1 4.35Å; L579-V607 HydrophobicContact CG-CG1 4.37Å; M593-V607 HydrophobicContact CG-CG1 3.93Å; M593-V607 HydrophobicContact CG-CG2 4.11Å; M593-V607 HydrophobicContact SD-CB 4.34Å; M593-V607 HydrophobicContact SD-CG1 3.76Å; M593-V607 HydrophobicContact SD-CG2 3.98Å; V605-V607 HydrophobicContact CG1-CG2 4.26Å
608	F	96.7	Very high	89.9	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.2	174.4	-58.8	-71.7	0	0	0	109.2	I413 I415 L494 V576 V577 I578 L579 R606 L681	I413-F608 HydrophobicContact CB-CD1 4.07Å; I413-F608 HydrophobicContact CB-CE1 4.35Å; I413-F608 HydrophobicContact CD1-CD1 4.43Å; I413-F608 HydrophobicContact CD1-CE1 3.85Å; I413-F608 HydrophobicContact CG2-CD1 4.46Å; I413-F608 WeakPolarHBondContact O-CA 3.4Å; I415-F608 HydrophobicContact CD1-CB 4.03Å; I415-F608 HydrophobicContact CD1-CD1 3.9Å; I415-F608 HydrophobicContact CD1-CG 4.27Å; L494-F608 HydrophobicContact CD1-CE2 4.24Å; L494-F608 HydrophobicContact CD1-CZ 4.36Å; L494-F608 HydrophobicContact CD2-CB 4.29Å; L494-F608 HydrophobicContact CD2-CD2 3.97Å; L494-F608 HydrophobicContact CD2-CE2 4.49Å; L494-F608 HydrophobicContact CD2-CG 4.07Å; V576-F608 HydrophobicContact CG1-CD2 3.66Å; V576-F608 HydrophobicContact CG1-CE2 3.64Å; V577-F608 PolarHBondContact O-N 2.9Å; I578-F608 CarbonylContact C-O 3.47Å; I578-F608 VanDerWaalsContact CA-O 3.32Å; I578-F608 WeakPolarHBondContact CA-O 3.38Å; I578-F608 HydrophobicContact CG1-CB 4.4Å; I578-F608 HydrophobicContact CG1-CD2 4.35Å; L579-F608 PolarHBondContact N-O 3.26Å; R606-F608 HydrophobicContact CB-CE2 3.96Å; R606-F608 HydrophobicContact CB-CZ 4.04Å; F608-L681 HydrophobicContact CD1-CD2 3.74Å; F608-L681 HydrophobicContact CE1-CD1 4.48Å; F608-L681 HydrophobicContact CE1-CD2 3.48Å; F608-L681 VanDerWaalsContact CE1-CD2 3.48Å; F608-L681 HydrophobicContact CZ-CD2 4.41Å
609	R	96	Very high	89.9	Confident	15 Å²	15	34.3 Å²	34.3	6%	0.057	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	115.7	175.2	-177.3	-176.7	-63.4	-87.5	1.2	109.1	E412 I413 K414 I415 L579 S582 D589 I611	E412-R609 IonicContact OE1-CZ 2.74Å; E412-R609 IonicContact OE1-NE 2.73Å; E412-R609 PolarHBondContact OE1-NE 3.14Å; E412-R609 IonicContact OE1-NH2 2.78Å; E412-R609 PolarHBondContact OE1-NH2 2.85Å; I413-R609 PolarHBondContact O-N 3.21Å; K414-R609 HydrophobicContact CG-CB 4.41Å; I415-R609 PolarHBondContact N-O 3.35Å; L579-R609 HydrophobicContact CB-CB 4.48Å; L579-R609 HydrophobicContact CB-CG 4.36Å; S582-R609 VanDerWaalsContact CB-NH1 3.31Å; S582-R609 PolarHBondContact OG-NH1 3.39Å; D589-R609 IonicContact OD2-CZ 3.9Å; D589-R609 IonicContact OD2-NH1 2.6Å; D589-R609 PolarHBondContact OD2-NH1 3.44Å; D589-R609 IonicContact OD2-NH2 3.68Å; R609-I611 HydrophobicContact CG-CD1 4.3Å; R609-I611 HydrophobicContact CG-CG1 4.01Å
610	L	96.2	Very high	90.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.5	178	-53	-173.1	0	0	0	109.5	I415 L417 K487 V490 I578 L579 Y580	I415-L610 HydrophobicContact CB-CD2 4.07Å; I415-L610 HydrophobicContact CD1-CD2 3.89Å; I415-L610 HydrophobicContact CG1-CD2 4.39Å; L417-L610 HydrophobicContact CD1-CB 4.41Å; L417-L610 HydrophobicContact CD1-CD2 4.4Å; K487-L610 HydrophobicContact CB-CD1 4.2Å; K487-L610 HydrophobicContact CD-CB 4.28Å; K487-L610 HydrophobicContact CG-CB 4.31Å; K487-L610 HydrophobicContact CG-CD1 4.48Å; V490-L610 HydrophobicContact CG1-CD2 4.49Å; I578-L610 HydrophobicContact CG2-CD1 4.21Å; I578-L610 HydrophobicContact CG2-CG 4.2Å; L579-L610 PolarHBondContact O-N 3.45Å; Y580-L610 HydrophobicContact CD2-CD1 4.02Å; Y580-L610 HydrophobicContact CE2-CD1 4.39Å; Y580-L610 HydrophobicContact CG-CD1 4.48Å
611	I	94.5	Very high	90.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.3	-177.7	-52.2	177.4	0	0	0	108	K414 I415 Y416 L417 R609 D613 E617 E618 V621	K414-I611 HydrophobicContact CB-CD1 3.98Å; K414-I611 HydrophobicContact CD-CD1 4.07Å; K414-I611 HydrophobicContact CG-CD1 4.19Å; I415-I611 PolarHBondContact O-N 3.29Å; Y416-I611 CarbonylContact C-O 3.59Å; Y416-I611 WeakPolarHBondContact CA-O 3.38Å; Y416-I611 HydrophobicContact CD1-CB 4.25Å; Y416-I611 HydrophobicContact CD1-CG2 4.15Å; Y416-I611 HydrophobicContact CE1-CB 4.43Å; Y416-I611 HydrophobicContact CE1-CD1 4.14Å; Y416-I611 HydrophobicContact CE1-CG2 4.13Å; Y416-I611 HydrophobicContact CE2-CD1 4.47Å; L417-I611 PolarHBondContact N-O 3.42Å; R609-I611 HydrophobicContact CG-CD1 4.3Å; R609-I611 HydrophobicContact CG-CG1 4.01Å; I611-D613 PolarHBondContact O-N 2.99Å; I611-E617 HydrophobicContact CG2-CB 4.37Å; I611-E618 HydrophobicContact CG2-CB 4.1Å; I611-V621 HydrophobicContact CD1-CB 4.11Å; I611-V621 HydrophobicContact CD1-CG1 3.79Å; I611-V621 HydrophobicContact CD1-CG2 3.96Å; I611-V621 HydrophobicContact CG1-CG2 4.15Å
612	T	92.4	Very high	90.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	115.1	172.4	-40.7	0	0	0	0	109.2	L417 L419 C460 K487 T615 E617	L417-T612 CarbonylContact O-C 3.48Å; L417-T612 WeakPolarHBondContact O-CA 3.38Å; L419-T612 HydrophobicContact CD2-CG2 3.56Å; L419-T612 HydrophobicContact CG-CG2 3.82Å; C460-T612 WeakPolarHBondContact CB-OG1 3.44Å; K487-T612 WeakPolarHBondContact CE-OG1 3.47Å; T612-T615 HydrophobicContact CG2-CG2 3.64Å; T612-T615 PolarHBondContact O-OG1 3.37Å; T612-E617 WeakPolarHBondContact CB-OE2 3.49Å; T612-E617 PolarHBondContact N-OE2 2.9Å; T612-E617 VanDerWaalsContact N-OE2 3.16Å; T612-E617 PolarHBondContact OG1-OE2 3.38Å
613	D	87.9	Confident	89.9	Confident	41 Å²	41	23.9 Å²	23.9	22%	0.219	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	144.6	-174.3	-153.2	38.2	0	0	0	110.9	Y416 L417 I611 T615 K687	Y416-D613 VanDerWaalsContact CD1-OD1 3.26Å; Y416-D613 WeakPolarHBondContact CD1-OD1 3.45Å; L417-D613 PolarHBondContact O-N 3.41Å; I611-D613 PolarHBondContact O-N 2.99Å; D613-T615 WeakPolarHBondContact O-CG2 3.49Å; D613-T615 PolarHBondContact O-N 3.37Å; D613-K687 IonicContact OD1-NZ 3.04Å; D613-K687 PolarHBondContact OD1-NZ 3.43Å
614	N	84.9	Confident	89.4	Confident	37 Å²	37	19.6 Å²	19.6	20%	0.198	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	29.6	-180	-51.8	-67.3	0	0	0	114.6	E618 G660 H663	N614-E618 PolarHBondContact N-OE2 3.12Å; N614-G660 VanDerWaalsContact O-CA 3.31Å; N614-G660 WeakPolarHBondContact O-CA 3.34Å; N614-H663 HydrophobicContact CB-CB 3.79Å; N614-H663 WeakPolarHBondContact CB-ND1 3.42Å; N614-H663 PolarHBondContact ND2-CE1 3.42Å; N614-H663 PolarHBondContact ND2-NE2 3.18Å
615	T	90.2	Very high	88.9	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-121.3	-178.1	176.2	72.6	0	0	0	0	112.1	L419 Y427 T612 D613 E617 E618	L419-T615 HydrophobicContact CD1-CG2 4.05Å; L419-T615 HydrophobicContact CD2-CG2 4.26Å; L419-T615 HydrophobicContact CG-CG2 4.22Å; Y427-T615 HydrophobicContact CE2-CG2 4.13Å; T612-T615 HydrophobicContact CG2-CG2 3.64Å; T612-T615 PolarHBondContact O-OG1 3.37Å; D613-T615 WeakPolarHBondContact O-CG2 3.49Å; D613-T615 PolarHBondContact O-N 3.37Å; T615-E617 PolarHBondContact O-N 3.31Å; T615-E617 PolarHBondContact OG1-N 3.37Å; T615-E617 VanDerWaalsContact OG1-N 3.16Å; T615-E618 PolarHBondContact O-N 3.45Å
616	V	87.1	Confident	88	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.5	-26.3	170.9	-63.2	0	0	0	0	112.8	Y427 L453 L456 R457 R619 I620 I657	Y427-V616 PolarHBondContact OH-N 2.95Å; L453-V616 HydrophobicContact CD2-CB 4.03Å; L453-V616 HydrophobicContact CD2-CG1 3.79Å; L456-V616 HydrophobicContact CB-CG1 4.33Å; L456-V616 HydrophobicContact CB-CG2 3.74Å; L456-V616 HydrophobicContact CD1-CG1 3.68Å; R457-V616 HydrophobicContact CG-CG2 4.25Å; V616-R619 PolarHBondContact O-N 3.15Å; V616-I620 WeakPolarHBondContact O-CD1 3.5Å; V616-I620 WeakPolarHBondContact O-CG1 3.07Å; V616-I620 PolarHBondContact O-N 3.36Å; V616-I657 HydrophobicContact CG1-CG1 4.39Å
617	E	88.6	Confident	86.9	Confident	9 Å²	9	16.7 Å²	16.7	4%	0.042	8%	0.078	C	C	.	.	H	α-helix	trans	-67	-40.6	-178.9	-69	-161.7	131.4	0	0	113.2	C460 K487 I611 T612 T615 R619 I620 V621	C460-E617 HydrophobicContact CB-CG 3.93Å; K487-E617 WeakPolarHBondContact CE-OE2 3.26Å; K487-E617 IonicContact NZ-OE1 3.79Å; K487-E617 PolarHBondContact NZ-OE1 2.95Å; K487-E617 IonicContact NZ-OE2 3.63Å; K487-E617 PolarHBondContact NZ-OE2 3.45Å; I611-E617 HydrophobicContact CG2-CB 4.37Å; T612-E617 WeakPolarHBondContact CB-OE2 3.49Å; T612-E617 PolarHBondContact N-OE2 2.9Å; T612-E617 VanDerWaalsContact N-OE2 3.16Å; T612-E617 PolarHBondContact OG1-OE2 3.38Å; T615-E617 PolarHBondContact O-N 3.31Å; T615-E617 PolarHBondContact OG1-N 3.37Å; T615-E617 VanDerWaalsContact OG1-N 3.16Å; E617-R619 VanDerWaalsContact C-N 3.29Å; E617-R619 PolarHBondContact O-N 3.48Å; E617-I620 WeakPolarHBondContact O-CB 3.41Å; E617-I620 PolarHBondContact O-N 2.73Å; E617-V621 WeakPolarHBondContact O-CG2 3.46Å; E617-V621 PolarHBondContact O-N 2.83Å
618	E	88.8	Confident	85.9	Confident	18 Å²	18	19.1 Å²	19.1	8%	0.084	9%	0.091	C	C	.	.	H	α-helix	trans	-57.7	-46.7	176.7	-179.9	168.8	-146.6	0	0	110.6	Y416 I611 N614 T615 I620 V621 E622 H659 K687	Y416-E618 HydrophobicContact CE1-CG 4.18Å; I611-E618 HydrophobicContact CG2-CB 4.1Å; N614-E618 PolarHBondContact N-OE2 3.12Å; T615-E618 PolarHBondContact O-N 3.45Å; E618-I620 PolarHBondContact O-N 2.93Å; E618-V621 PolarHBondContact O-N 2.79Å; E618-E622 WeakPolarHBondContact O-CG 3.47Å; E618-E622 PolarHBondContact O-N 3.36Å; E618-H659 IonicContact OE2-CE1 3.02Å; E618-K687 IonicContact OE1-NZ 3.47Å; E618-K687 PolarHBondContact OE1-NZ 3.47Å
619	R	84.1	Confident	84.7	Confident	39 Å²	39	23.5 Å²	23.5	15%	0.147	11%	0.107	C	C	.	.	H	α-helix	trans	-66.3	-35.3	178.8	-60.8	-65.8	176.8	-174.6	4	113.3	V616 E617 V621 E622 R623 M656 H659 M708	V616-R619 PolarHBondContact O-N 3.15Å; E617-R619 VanDerWaalsContact C-N 3.29Å; E617-R619 PolarHBondContact O-N 3.48Å; R619-V621 VanDerWaalsContact C-N 3.33Å; R619-E622 WeakPolarHBondContact CD-OE2 3.34Å; R619-E622 IonicContact CZ-OE2 3.98Å; R619-E622 IonicContact NE-OE2 3.56Å; R619-E622 IonicContact NH1-OE1 3.48Å; R619-E622 IonicContact NH1-OE2 2.62Å; R619-E622 PolarHBondContact NH1-OE2 3.29Å; R619-R623 WeakPolarHBondContact O-CB 3.45Å; R619-R623 PolarHBondContact O-N 3Å; R619-R623 VanDerWaalsContact O-N 3.11Å; R619-M656 HydrophobicContact CB-CB 4.13Å; R619-M656 HydrophobicContact CB-CG 3.62Å; R619-M656 HydrophobicContact CB-SD 3.96Å; R619-M656 HydrophobicContact CG-CB 4.46Å; R619-M656 HydrophobicContact CG-CG 4.26Å; R619-H659 HydrophobicContact CG-CB 4.38Å; R619-H659 PolarHBondContact NE-CD2 3.48Å; R619-H659 PolarHBondContact NE-CE1 3.26Å; R619-H659 VanDerWaalsContact NE-CG 3.3Å; R619-H659 PolarHBondContact NE-ND1 3.06Å; R619-H659 PolarHBondContact NH2-CD2 3.07Å; R619-H659 PolarHBondContact NH2-NE2 3.42Å; R619-M708 HydrophobicContact CB-CE 4.27Å; R619-M708 VanDerWaalsContact CD-CE 3.42Å; R619-M708 HydrophobicContact CG-CE 4.46Å
620	I	83.8	Confident	83.2	Confident	4 Å²	4	24 Å²	24	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-59.6	-47.6	173.3	-70.2	165	0	0	0	110.1	R457 W584 V616 E617 E618 R623 A624	R457-I620 HydrophobicContact CG-CD1 4.05Å; W584-I620 HydrophobicContact CD2-CG1 4.4Å; W584-I620 HydrophobicContact CD2-CG2 4.32Å; W584-I620 HydrophobicContact CE3-CB 4.43Å; W584-I620 HydrophobicContact CE3-CG1 3.85Å; W584-I620 HydrophobicContact CE3-CG2 4.01Å; W584-I620 HydrophobicContact CH2-CD1 3.65Å; W584-I620 HydrophobicContact CH2-CG1 3.43Å; W584-I620 VanDerWaalsContact CH2-CG1 3.43Å; W584-I620 HydrophobicContact CZ2-CD1 3.71Å; W584-I620 HydrophobicContact CZ2-CG1 3.98Å; W584-I620 HydrophobicContact CZ3-CB 4.33Å; W584-I620 HydrophobicContact CZ3-CD1 4.1Å; W584-I620 HydrophobicContact CZ3-CG1 3.39Å; W584-I620 HydrophobicContact CZ3-CG2 4.4Å; V616-I620 WeakPolarHBondContact O-CD1 3.5Å; V616-I620 WeakPolarHBondContact O-CG1 3.07Å; V616-I620 PolarHBondContact O-N 3.36Å; E617-I620 WeakPolarHBondContact O-CB 3.41Å; E617-I620 PolarHBondContact O-N 2.73Å; E618-I620 PolarHBondContact O-N 2.93Å; I620-R623 PolarHBondContact O-N 3.03Å; I620-A624 WeakPolarHBondContact O-CB 3.2Å; I620-A624 PolarHBondContact O-N 3.47Å
621	V	87	Confident	81.7	Confident	5 Å²	5	24.7 Å²	24.7	3%	0.03	12%	0.115	C	C	.	.	H	α-helix	trans	-68.1	-45.5	-177.4	173.5	0	0	0	0	111.6	S582 I611 E617 E618 R619 R623 A624 E625	S582-V621 WeakPolarHBondContact OG-CG2 3.38Å; I611-V621 HydrophobicContact CD1-CB 4.11Å; I611-V621 HydrophobicContact CD1-CG1 3.79Å; I611-V621 HydrophobicContact CD1-CG2 3.96Å; I611-V621 HydrophobicContact CG1-CG2 4.15Å; E617-V621 WeakPolarHBondContact O-CG2 3.46Å; E617-V621 PolarHBondContact O-N 2.83Å; E618-V621 PolarHBondContact O-N 2.79Å; R619-V621 VanDerWaalsContact C-N 3.33Å; V621-R623 VanDerWaalsContact C-N 3.3Å; V621-R623 PolarHBondContact O-N 3.48Å; V621-A624 WeakPolarHBondContact O-CB 3.3Å; V621-A624 PolarHBondContact O-N 3.26Å; V621-A624 VanDerWaalsContact O-N 3.13Å; V621-E625 PolarHBondContact O-N 2.88Å
622	E	83.5	Confident	80.3	Confident	41 Å²	41	26.4 Å²	26.4	19%	0.192	13%	0.127	C	C	.	.	H	α-helix	trans	-54.7	-46.9	175.7	-74.4	-179.5	161	0	0	111.4	E618 R619 A624 E625 I626 M708	E618-E622 WeakPolarHBondContact O-CG 3.47Å; E618-E622 PolarHBondContact O-N 3.36Å; R619-E622 WeakPolarHBondContact CD-OE2 3.34Å; R619-E622 IonicContact CZ-OE2 3.98Å; R619-E622 IonicContact NE-OE2 3.56Å; R619-E622 IonicContact NH1-OE1 3.48Å; R619-E622 IonicContact NH1-OE2 2.62Å; R619-E622 PolarHBondContact NH1-OE2 3.29Å; E622-A624 PolarHBondContact O-N 3.28Å; E622-E625 PolarHBondContact O-N 2.82Å; E622-I626 WeakPolarHBondContact O-CG1 3.49Å; E622-I626 PolarHBondContact O-N 2.92Å; E622-M708 HydrophobicContact CB-CE 4.36Å; E622-M708 VanDerWaalsContact OE2-CE 3.29Å; E622-M708 WeakPolarHBondContact OE2-CE 3.04Å
623	R	78.4	Confident	78.8	Confident	39 Å²	39	27.3 Å²	27.3	15%	0.147	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-44.2	176.9	-174.9	-171.6	-175.2	129.5	6.2	112	R619 I620 V621 E625 I626 K627 S645 L648 E652	R619-R623 WeakPolarHBondContact O-CB 3.45Å; R619-R623 PolarHBondContact O-N 3Å; R619-R623 VanDerWaalsContact O-N 3.11Å; I620-R623 PolarHBondContact O-N 3.03Å; V621-R623 VanDerWaalsContact C-N 3.3Å; V621-R623 PolarHBondContact O-N 3.48Å; R623-E625 PolarHBondContact O-N 3.42Å; R623-I626 PolarHBondContact O-N 2.94Å; R623-K627 WeakPolarHBondContact O-CB 3.34Å; R623-K627 PolarHBondContact O-N 3.34Å; R623-S645 PolarHBondContact NH2-O 3.49Å; R623-L648 VanDerWaalsContact NH1-CG 3.29Å; R623-E652 IonicContact CZ-OE1 2.75Å; R623-E652 IonicContact CZ-OE2 3.88Å; R623-E652 VanDerWaalsContact NH1-CD 3.27Å; R623-E652 IonicContact NH1-OE1 3.9Å; R623-E652 IonicContact NH1-OE2 3.81Å; R623-E652 PolarHBondContact NH1-OE2 3.31Å; R623-E652 IonicContact NH2-OE1 2.72Å; R623-E652 IonicContact NH2-OE2 3.09Å; R623-E652 PolarHBondContact NH2-OE2 3.25Å
624	A	79.2	Confident	77.3	Confident	8 Å²	8	25.6 Å²	25.6	7%	0.066	12%	0.123	C	C	.	.	H	α-helix	trans	-58.8	-39.1	178.8	0	0	0	0	0	111.1	P586 I620 V621 E622 K627 L628	P586-A624 HydrophobicContact CB-CB 3.77Å; P586-A624 HydrophobicContact CG-CB 4.2Å; P586-A624 WeakPolarHBondContact CG-O 3.35Å; I620-A624 WeakPolarHBondContact O-CB 3.2Å; I620-A624 PolarHBondContact O-N 3.47Å; V621-A624 WeakPolarHBondContact O-CB 3.3Å; V621-A624 PolarHBondContact O-N 3.26Å; V621-A624 VanDerWaalsContact O-N 3.13Å; E622-A624 PolarHBondContact O-N 3.28Å; A624-K627 WeakPolarHBondContact O-CB 3.25Å; A624-K627 PolarHBondContact O-N 3.31Å; A624-L628 WeakPolarHBondContact O-CG 3.45Å; A624-L628 PolarHBondContact O-N 2.87Å
625	E	82	Confident	75.9	Confident	27 Å²	27	26.3 Å²	26.3	13%	0.126	13%	0.126	C	C	.	.	H	α-helix	trans	-71.1	-43.1	177.8	-74	-173.3	134	0	0	114.1	K414 V621 E622 R623 K627 L628 R629 M691 L695	K414-E625 WeakPolarHBondContact CE-OE1 3.38Å; K414-E625 IonicContact NZ-OE1 3.5Å; K414-E625 PolarHBondContact NZ-OE1 2.74Å; K414-E625 IonicContact NZ-OE2 2.82Å; K414-E625 PolarHBondContact NZ-OE2 3.12Å; V621-E625 PolarHBondContact O-N 2.88Å; E622-E625 PolarHBondContact O-N 2.82Å; R623-E625 PolarHBondContact O-N 3.42Å; E625-K627 PolarHBondContact O-N 3.44Å; E625-L628 PolarHBondContact O-N 3.47Å; E625-L628 VanDerWaalsContact O-N 3.15Å; E625-R629 WeakPolarHBondContact O-CB 3.27Å; E625-R629 PolarHBondContact O-N 3.02Å; E625-M691 WeakPolarHBondContact OE2-CE 3.32Å; E625-M691 VanDerWaalsContact OE2-SD 3.33Å; E625-L695 HydrophobicContact CB-CD1 3.88Å
626	I	75.7	Confident	74.3	Confident	22 Å²	22	33.2 Å²	33.2	11%	0.113	16%	0.158	C	C	.	.	H	α-helix	trans	-56.4	-43	173.6	-66.6	164.7	0	0	0	108.9	E622 R623 R629 L630 L695 L703 F706	E622-I626 WeakPolarHBondContact O-CG1 3.49Å; E622-I626 PolarHBondContact O-N 2.92Å; R623-I626 PolarHBondContact O-N 2.94Å; I626-R629 PolarHBondContact O-N 2.84Å; I626-L630 HydrophobicContact CG2-CD1 3.95Å; I626-L630 HydrophobicContact CG2-CG 4.36Å; I626-L630 WeakPolarHBondContact O-CB 3.48Å; I626-L630 VanDerWaalsContact O-CG 3.3Å; I626-L630 WeakPolarHBondContact O-CG 3.44Å; I626-L630 PolarHBondContact O-N 3.21Å; I626-L695 HydrophobicContact CG1-CD2 4.01Å; I626-L703 HydrophobicContact CG2-CD2 4.46Å; I626-F706 HydrophobicContact CD1-CD1 3.44Å; I626-F706 VanDerWaalsContact CD1-CD1 3.44Å; I626-F706 HydrophobicContact CD1-CE1 3.55Å; I626-F706 HydrophobicContact CD1-CG 4.21Å; I626-F706 HydrophobicContact CD1-CZ 4.4Å
627	K	72.9	Confident	72.6	Confident	38 Å²	38	37.9 Å²	37.9	17%	0.165	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-45.9	175.9	-175.2	176.4	177.4	-171.5	0	112.7	N585 P586 R623 A624 E625 R629 L630 D631 N646	N585-K627 PolarHBondContact OD1-NZ 3.2Å; P586-K627 HydrophobicContact CG-CB 4.35Å; P586-K627 HydrophobicContact CG-CD 4.25Å; P586-K627 HydrophobicContact CG-CG 4.37Å; R623-K627 WeakPolarHBondContact O-CB 3.34Å; R623-K627 PolarHBondContact O-N 3.34Å; A624-K627 WeakPolarHBondContact O-CB 3.25Å; A624-K627 PolarHBondContact O-N 3.31Å; E625-K627 PolarHBondContact O-N 3.44Å; K627-R629 VanDerWaalsContact C-N 3.28Å; K627-R629 PolarHBondContact O-N 3.38Å; K627-L630 PolarHBondContact O-N 2.84Å; K627-D631 WeakPolarHBondContact O-CB 3.3Å; K627-D631 PolarHBondContact O-N 3.28Å; K627-N646 VanDerWaalsContact CE-OD1 3.24Å; K627-N646 WeakPolarHBondContact CE-OD1 3.4Å
628	L	74.8	Confident	70.5	Confident	51 Å²	51	38.2 Å²	38.2	27%	0.267	19%	0.186	S	C	.	.	H	α-helix	trans	-59.9	-40	174.8	-74.8	-179.6	0	0	0	112.4	P586 L590 A624 E625 D631 S632	P586-L628 HydrophobicContact CB-CD1 3.73Å; P586-L628 HydrophobicContact CB-CD2 3.63Å; P586-L628 HydrophobicContact CB-CG 3.42Å; P586-L628 VanDerWaalsContact CB-CG 3.42Å; P586-L628 HydrophobicContact CG-CD1 4.42Å; P586-L628 HydrophobicContact CG-CD2 3.57Å; P586-L628 HydrophobicContact CG-CG 3.57Å; L590-L628 HydrophobicContact CD1-CD1 4.02Å; L590-L628 HydrophobicContact CD1-CD2 3.4Å; L590-L628 HydrophobicContact CD1-CG 4.36Å; L590-L628 HydrophobicContact CG-CD1 4.46Å; L590-L628 HydrophobicContact CG-CD2 4.49Å; A624-L628 WeakPolarHBondContact O-CG 3.45Å; A624-L628 PolarHBondContact O-N 2.87Å; E625-L628 PolarHBondContact O-N 3.47Å; E625-L628 VanDerWaalsContact O-N 3.15Å; L628-D631 PolarHBondContact O-N 2.93Å; L628-S632 WeakPolarHBondContact O-CB 3.35Å; L628-S632 PolarHBondContact O-N 3.01Å
629	R	71.7	Confident	68.4	Low	96 Å²	96	41.7 Å²	41.7	36%	0.362	20%	0.198	S	C	.	.	H	α-helix	trans	-66.6	-47.7	179.4	-170.7	61.3	173.9	177.7	1.5	110.5	E625 I626 K627 D631 S632 I633 L703	E625-R629 WeakPolarHBondContact O-CB 3.27Å; E625-R629 PolarHBondContact O-N 3.02Å; I626-R629 PolarHBondContact O-N 2.84Å; K627-R629 VanDerWaalsContact C-N 3.28Å; K627-R629 PolarHBondContact O-N 3.38Å; R629-D631 PolarHBondContact O-N 2.97Å; R629-S632 PolarHBondContact O-N 2.94Å; R629-S632 PolarHBondContact O-OG 2.89Å; R629-I633 HydrophobicContact CG-CD1 4.09Å; R629-I633 VanDerWaalsContact O-CG1 3.29Å; R629-I633 WeakPolarHBondContact O-CG1 3.2Å; R629-I633 PolarHBondContact O-N 2.93Å; R629-L703 HydrophobicContact CG-CD1 3.81Å
630	L	64.1	Low	66.5	Low	25 Å²	25	41.8 Å²	41.8	13%	0.131	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-47.8	173.7	-76.2	174.7	0	0	0	111.5	I626 K627 S632 I633 V634 I641 L703 R704	I626-L630 HydrophobicContact CG2-CD1 3.95Å; I626-L630 HydrophobicContact CG2-CG 4.36Å; I626-L630 WeakPolarHBondContact O-CB 3.48Å; I626-L630 VanDerWaalsContact O-CG 3.3Å; I626-L630 WeakPolarHBondContact O-CG 3.44Å; I626-L630 PolarHBondContact O-N 3.21Å; K627-L630 PolarHBondContact O-N 2.84Å; L630-S632 VanDerWaalsContact C-N 3.32Å; L630-S632 PolarHBondContact O-N 3.47Å; L630-I633 PolarHBondContact O-N 2.78Å; L630-V634 WeakPolarHBondContact O-CB 3.46Å; L630-V634 WeakPolarHBondContact O-CG2 3.31Å; L630-V634 PolarHBondContact O-N 3.09Å; L630-I641 HydrophobicContact CB-CD1 3.67Å; L630-I641 HydrophobicContact CD1-CD1 4.37Å; L630-I641 HydrophobicContact CD2-CD1 4.02Å; L630-I641 HydrophobicContact CG-CD1 4.23Å; L630-L703 HydrophobicContact CD2-CB 4.03Å; L630-R704 HydrophobicContact CD2-CG 4.05Å
631	D	64.2	Low	64.7	Low	16 Å²	16	43 Å²	43	9%	0.086	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-39.9	176.5	-78	-31.7	0	0	0	111.8	Q344 Q587 K627 L628 R629 I633 I635	Q344-D631 PolarHBondContact NE2-OD1 2.81Å; Q587-D631 PolarHBondContact NE2-OD2 2.52Å; K627-D631 WeakPolarHBondContact O-CB 3.3Å; K627-D631 PolarHBondContact O-N 3.28Å; L628-D631 PolarHBondContact O-N 2.93Å; R629-D631 PolarHBondContact O-N 2.97Å; D631-I633 PolarHBondContact O-N 2.97Å; D631-I635 WeakPolarHBondContact O-CD1 3.25Å; D631-I635 WeakPolarHBondContact O-CG1 3.32Å; D631-I635 PolarHBondContact O-N 3.36Å; D631-I635 VanDerWaalsContact O-N 3.09Å
632	S	64.1	Low	62.9	Low	37 Å²	37	48.7 Å²	48.7	26%	0.259	24%	0.238	S	C	.	.	H	α-helix	trans	-64.1	-40.3	176.4	75	0	0	0	0	112.5	L628 R629 L630 Q636	L628-S632 WeakPolarHBondContact O-CB 3.35Å; L628-S632 PolarHBondContact O-N 3.01Å; R629-S632 PolarHBondContact O-N 2.94Å; R629-S632 PolarHBondContact O-OG 2.89Å; L630-S632 VanDerWaalsContact C-N 3.32Å; L630-S632 PolarHBondContact O-N 3.47Å; S632-Q636 WeakPolarHBondContact O-CG 3.45Å; S632-Q636 PolarHBondContact O-N 2.84Å; S632-Q636 VanDerWaalsContact O-N 3.1Å
633	I	62.3	Low	61.2	Low	21 Å²	21	50.3 Å²	50.3	11%	0.108	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-47.7	178.6	-67.2	165	0	0	0	110.3	R629 L630 D631 I635 Q636 Q637 E700 L703	R629-I633 HydrophobicContact CG-CD1 4.09Å; R629-I633 VanDerWaalsContact O-CG1 3.29Å; R629-I633 WeakPolarHBondContact O-CG1 3.2Å; R629-I633 PolarHBondContact O-N 2.93Å; L630-I633 PolarHBondContact O-N 2.78Å; D631-I633 PolarHBondContact O-N 2.97Å; I633-I635 VanDerWaalsContact C-N 3.25Å; I633-I635 PolarHBondContact O-N 3.05Å; I633-Q636 PolarHBondContact O-N 3.29Å; I633-Q637 HydrophobicContact CG2-CG 4.38Å; I633-Q637 WeakPolarHBondContact O-CB 3.32Å; I633-Q637 PolarHBondContact O-N 2.81Å; I633-E700 HydrophobicContact CG2-CG 4.16Å; I633-L703 HydrophobicContact CD1-CD1 4Å
634	V	56.7	Low	59.7	Low	5 Å²	5	56.4 Å²	56.4	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-53	-45.8	176.3	164.8	0	0	0	0	110.9	N345 L630 G638 R639 I641	N345-V634 WeakPolarHBondContact ND2-CG1 3.45Å; N345-V634 WeakPolarHBondContact ND2-CG2 3.34Å; N345-V634 WeakPolarHBondContact OD1-CG1 3.43Å; L630-V634 WeakPolarHBondContact O-CB 3.46Å; L630-V634 WeakPolarHBondContact O-CG2 3.31Å; L630-V634 PolarHBondContact O-N 3.09Å; V634-G638 VanDerWaalsContact O-CA 3.26Å; V634-G638 WeakPolarHBondContact O-CA 3.1Å; V634-G638 PolarHBondContact O-N 3.18Å; V634-R639 WeakPolarHBondContact CG1-O 3.11Å; V634-R639 WeakPolarHBondContact CG2-O 3.2Å; V634-I641 HydrophobicContact CG2-CD1 3.21Å; V634-I641 HydrophobicContact CG2-CG1 3.51Å
635	I	55.6	Low	58.5	Low	51 Å²	51	58.9 Å²	58.9	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-75.2	-32.6	-176.2	-55.3	160.5	0	0	0	111.6	D631 I633	D631-I635 WeakPolarHBondContact O-CD1 3.25Å; D631-I635 WeakPolarHBondContact O-CG1 3.32Å; D631-I635 PolarHBondContact O-N 3.36Å; D631-I635 VanDerWaalsContact O-N 3.09Å; I633-I635 VanDerWaalsContact C-N 3.25Å; I633-I635 PolarHBondContact O-N 3.05Å
636	Q	55.6	Low	57	Low	145 Å²	145	60.4 Å²	60.4	68%	0.678	30%	0.301	S	S	*	.	H	α-helix	trans	-72.9	-36.1	175.9	-76.3	-178.6	-10.3	0	0	112.8	S632 I633	S632-Q636 WeakPolarHBondContact O-CG 3.45Å; S632-Q636 PolarHBondContact O-N 2.84Å; S632-Q636 VanDerWaalsContact O-N 3.1Å; I633-Q636 PolarHBondContact O-N 3.29Å
637	Q	50.9	Low	56.2	Low	98 Å²	98	66.6 Å²	66.6	46%	0.458	33%	0.327	S	S	.	.	H	α-helix	trans	-104.7	-12.5	-173	-62.5	-174	-0.6	0	0	114.6	I633 R639 E700	I633-Q637 HydrophobicContact CG2-CG 4.38Å; I633-Q637 WeakPolarHBondContact O-CB 3.32Å; I633-Q637 PolarHBondContact O-N 2.81Å; Q637-R639 HydrophobicContact CB-CG 4.45Å; Q637-E700 PolarHBondContact OE1-OE2 3.2Å
638	G	45.8	Very low	55.7	Low	16 Å²	16	66 Å²	66	17%	0.165	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	31	-179.8	0	0	0	0	0	114.6	H388 V634	H388-G638 PolarHBondContact CD2-O 3.44Å; V634-G638 VanDerWaalsContact O-CA 3.26Å; V634-G638 WeakPolarHBondContact O-CA 3.1Å; V634-G638 PolarHBondContact O-N 3.18Å
639	R	43.9	Very low	55.4	Low	91 Å²	91	65.7 Å²	65.7	34%	0.343	33%	0.331	S	S	.	.			trans	-108.2	148.6	-174.1	-76.2	-175.5	166.4	176.1	0.7	114	N345 E385 V634 Q637	N345-R639 PolarHBondContact OD1-O 2.96Å; E385-R639 HydrophobicContact CG-CG 4.33Å; E385-R639 WeakPolarHBondContact OE1-CG 3.49Å; E385-R639 IonicContact OE1-CZ 2.78Å; E385-R639 IonicContact OE1-NE 3.27Å; E385-R639 PolarHBondContact OE1-NE 3.08Å; E385-R639 IonicContact OE1-NH2 3.31Å; V634-R639 WeakPolarHBondContact CG1-O 3.11Å; V634-R639 WeakPolarHBondContact CG2-O 3.2Å; Q637-R639 HydrophobicContact CB-CG 4.45Å
640	L	44.7	Very low	55.6	Low	42 Å²	42	65.9 Å²	65.9	22%	0.22	33%	0.334	C	S	.	.			trans	-69.7	143.5	-178.4	-74.9	169.1	0	0	0	115.1	N345 Q381 V384 R704	N345-L640 HydrophobicContact CB-CD2 4.4Å; Q381-L640 HydrophobicContact CG-CD1 4.24Å; V384-L640 HydrophobicContact CB-CD1 3.54Å; V384-L640 HydrophobicContact CB-CD2 3.74Å; V384-L640 HydrophobicContact CB-CG 3.52Å; V384-L640 HydrophobicContact CG1-CD1 4.09Å; V384-L640 HydrophobicContact CG1-CD2 3.29Å; V384-L640 HydrophobicContact CG1-CG 3.48Å; V384-L640 VanDerWaalsContact CG1-CG 3.48Å; V384-L640 HydrophobicContact CG2-CD1 3.52Å; V384-L640 HydrophobicContact CG2-CD2 3.83Å; V384-L640 HydrophobicContact CG2-CG 3.9Å; L640-R704 PolarHBondContact O-NH1 2.92Å
641	I	45.4	Very low	56	Low	29 Å²	29	71.7 Å²	71.7	15%	0.149	36%	0.361	C	S	.	.			trans	-131.7	140.7	163.3	-56.4	179.5	0	0	0	108.5	N345 L630 V634 S645	N345-I641 HydrophobicContact CB-CB 4.4Å; N345-I641 WeakPolarHBondContact CB-O 3.45Å; N345-I641 VanDerWaalsContact CG-N 3.25Å; N345-I641 VanDerWaalsContact ND2-CB 3.27Å; N345-I641 WeakPolarHBondContact ND2-CB 3.43Å; N345-I641 WeakPolarHBondContact ND2-CG1 3.16Å; N345-I641 PolarHBondContact ND2-N 2.95Å; L630-I641 HydrophobicContact CB-CD1 3.67Å; L630-I641 HydrophobicContact CD1-CD1 4.37Å; L630-I641 HydrophobicContact CD2-CD1 4.02Å; L630-I641 HydrophobicContact CG-CD1 4.23Å; V634-I641 HydrophobicContact CG2-CD1 3.21Å; V634-I641 HydrophobicContact CG2-CG1 3.51Å; I641-S645 WeakPolarHBondContact CG2-OG 3.27Å
642	D	50	Low	56.6	Low	124 Å²	124	73.5 Å²	73.5	66%	0.663	37%	0.369	S	S	*	.			trans	-67.8	131.3	-179.1	-123.8	-35.9	0	0	0	113.1	Q644 S645	D642-Q644 PolarHBondContact O-N 3.43Å; D642-Q644 VanDerWaalsContact O-N 3.15Å; D642-S645 WeakPolarHBondContact O-CB 3.18Å; D642-S645 PolarHBondContact O-N 3.22Å; D642-S645 VanDerWaalsContact O-N 3.1Å; D642-S645 PolarHBondContact O-OG 3.06Å
643	Q	47.4	Very low	57.2	Low	76 Å²	76	71.8 Å²	71.8	36%	0.355	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-60.4	-24.9	177.6	-98.7	-163.3	-10.8	0	0	113.1	N346 E349 S645 N646	N346-Q643 HydrophobicContact CB-CG 4.05Å; N346-Q643 PolarHBondContact ND2-NE2 3.39Å; N346-Q643 PolarHBondContact ND2-OE1 2.94Å; E349-Q643 PolarHBondContact OE1-NE2 3.09Å; Q643-S645 PolarHBondContact O-N 3.26Å; Q643-N646 WeakPolarHBondContact O-CB 3.4Å; Q643-N646 PolarHBondContact O-N 3.32Å; Q643-N646 VanDerWaalsContact O-N 3.16Å
644	Q	47.3	Very low	58	Low	167 Å²	167	71.4 Å²	71.4	78%	0.78	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-63.8	-29.9	177.8	-66.6	-165.5	2.6	0	0	112.1	D642 N646 K647	D642-Q644 PolarHBondContact O-N 3.43Å; D642-Q644 VanDerWaalsContact O-N 3.15Å; Q644-N646 PolarHBondContact O-N 3.08Å; Q644-K647 PolarHBondContact O-N 3.23Å
645	S	52.7	Low	59.2	Low	60 Å²	60	74.8 Å²	74.8	42%	0.42	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-64.6	-23.2	175.9	68.5	0	0	0	0	113.7	R623 I641 D642 Q643	R623-S645 PolarHBondContact NH2-O 3.49Å; I641-S645 WeakPolarHBondContact CG2-OG 3.27Å; D642-S645 WeakPolarHBondContact O-CB 3.18Å; D642-S645 PolarHBondContact O-N 3.22Å; D642-S645 VanDerWaalsContact O-N 3.1Å; D642-S645 PolarHBondContact O-OG 3.06Å; Q643-S645 PolarHBondContact O-N 3.26Å
646	N	51.7	Low	60.4	Low	58 Å²	58	72.4 Å²	72.4	31%	0.31	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-77.3	-22.3	-178.9	-88.1	-26.4	0	0	0	113.6	Q344 K627 Q643 Q644	Q344-N646 PolarHBondContact OE1-ND2 3.11Å; K627-N646 VanDerWaalsContact CE-OD1 3.24Å; K627-N646 WeakPolarHBondContact CE-OD1 3.4Å; Q643-N646 WeakPolarHBondContact O-CB 3.4Å; Q643-N646 PolarHBondContact O-N 3.32Å; Q643-N646 VanDerWaalsContact O-N 3.16Å; Q644-N646 PolarHBondContact O-N 3.08Å
647	K	57.8	Low	61.7	Low	152 Å²	152	65.5 Å²	65.5	66%	0.661	33%	0.325	S	S	*	.	S	Bend	trans	-90.4	131.2	177.8	-72.6	-178.5	-179.2	173.9	0	108.6	Q644 A649	Q644-K647 PolarHBondContact O-N 3.23Å; K647-A649 PolarHBondContact O-N 3.02Å
648	L	63.4	Low	63.1	Low	26 Å²	26	62.4 Å²	62.4	14%	0.136	31%	0.31	C	S	.	.			trans	-54.9	109.5	168.1	-93.1	128.6	0	0	0	110.3	K446 W584 R623 M653 M656	K446-L648 WeakPolarHBondContact CE-O 3.5Å; K446-L648 PolarHBondContact NZ-O 3.06Å; W584-L648 HydrophobicContact CD2-CD1 3.75Å; W584-L648 HydrophobicContact CE3-CD1 3.21Å; W584-L648 HydrophobicContact CE3-CD2 4.31Å; W584-L648 HydrophobicContact CE3-CG 4.33Å; W584-L648 HydrophobicContact CG-CD1 4.43Å; W584-L648 HydrophobicContact CH2-CD1 4.09Å; W584-L648 HydrophobicContact CH2-CD2 4.1Å; W584-L648 HydrophobicContact CZ3-CD1 3.36Å; W584-L648 HydrophobicContact CZ3-CD2 3.59Å; W584-L648 HydrophobicContact CZ3-CG 4.09Å; R623-L648 VanDerWaalsContact NH1-CG 3.29Å; L648-M653 HydrophobicContact CB-CG 4.03Å; L648-M653 HydrophobicContact CB-SD 4.18Å; L648-M653 HydrophobicContact CD2-CG 3.57Å; L648-M653 HydrophobicContact CG-CG 4.44Å; L648-M656 HydrophobicContact CD2-CE 3.13Å; L648-M656 HydrophobicContact CD2-SD 4.32Å
649	A	69.1	Low	64.6	Low	45 Å²	45	64 Å²	64	37%	0.372	31%	0.313	S	S	.	.			trans	-72	153.8	174.4	0	0	0	0	0	109.3	K647 E651 E652 M653	K647-A649 PolarHBondContact O-N 3.02Å; A649-E651 VanDerWaalsContact C-N 3.29Å; A649-E651 PolarHBondContact O-N 3.09Å; A649-E652 HydrophobicContact CB-CG 4.12Å; A649-E652 PolarHBondContact N-OE2 2.99Å; A649-E652 PolarHBondContact O-N 2.85Å; A649-M653 WeakPolarHBondContact O-CG 3.38Å; A649-M653 PolarHBondContact O-N 2.72Å; A649-M653 VanDerWaalsContact O-N 3.11Å
650	K	74.5	Confident	66.2	Low	100 Å²	100	59.6 Å²	59.6	44%	0.435	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-42.2	-179.2	-66.4	-178.8	179	-175.1	0	111.9	M444 K446 L449 M653 L654	M444-K650 PolarHBondContact O-NZ 2.83Å; K446-K650 HydrophobicContact CB-CG 4.24Å; K446-K650 HydrophobicContact CG-CG 4.18Å; L449-K650 HydrophobicContact CD1-CB 4.29Å; K650-M653 HydrophobicContact CB-CE 4.49Å; K650-M653 HydrophobicContact CG-CE 4.36Å; K650-M653 PolarHBondContact O-N 2.83Å; K650-L654 PolarHBondContact O-N 3.02Å; K650-L654 VanDerWaalsContact O-N 3.07Å
651	E	74	Confident	67.8	Low	146 Å²	146	57.6 Å²	57.6	68%	0.682	29%	0.286	S	S	*	.	H	α-helix	trans	-64.3	-44.3	-179.8	-67.1	179	172.8	0	0	112.1	A649 M653 L654 Q655	A649-E651 VanDerWaalsContact C-N 3.29Å; A649-E651 PolarHBondContact O-N 3.09Å; E651-M653 VanDerWaalsContact C-N 3.33Å; E651-M653 PolarHBondContact O-N 3.49Å; E651-L654 WeakPolarHBondContact O-CB 3.36Å; E651-L654 PolarHBondContact O-N 3.33Å; E651-L654 VanDerWaalsContact O-N 3.17Å; E651-Q655 WeakPolarHBondContact O-CG 3.39Å; E651-Q655 PolarHBondContact O-N 2.78Å
652	E	75.8	Confident	69.3	Low	55 Å²	55	60.4 Å²	60.4	26%	0.257	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-42.2	176.5	-63.3	174.7	140.2	0	0	111.3	R623 A649 L654 Q655 M656	R623-E652 IonicContact CZ-OE1 2.75Å; R623-E652 IonicContact CZ-OE2 3.88Å; R623-E652 VanDerWaalsContact NH1-CD 3.27Å; R623-E652 IonicContact NH1-OE1 3.9Å; R623-E652 IonicContact NH1-OE2 3.81Å; R623-E652 PolarHBondContact NH1-OE2 3.31Å; R623-E652 IonicContact NH2-OE1 2.72Å; R623-E652 IonicContact NH2-OE2 3.09Å; R623-E652 PolarHBondContact NH2-OE2 3.25Å; A649-E652 HydrophobicContact CB-CG 4.12Å; A649-E652 PolarHBondContact N-OE2 2.99Å; A649-E652 PolarHBondContact O-N 2.85Å; E652-L654 VanDerWaalsContact C-N 3.29Å; E652-L654 PolarHBondContact O-N 3.29Å; E652-Q655 PolarHBondContact O-N 3.4Å; E652-M656 VanDerWaalsContact O-CG 3.29Å; E652-M656 WeakPolarHBondContact O-CG 3.48Å; E652-M656 PolarHBondContact O-N 3.26Å
653	M	77.5	Confident	70.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-42.8	175.2	-70.2	-171.6	-63.4	0	0	111.9	K446 L449 L450 L453 L648 A649 K650 E651 M656 I657	K446-M653 HydrophobicContact CG-CE 3.59Å; L449-M653 HydrophobicContact CB-CB 4.35Å; L449-M653 HydrophobicContact CB-CE 4.07Å; L449-M653 HydrophobicContact CB-SD 4.42Å; L449-M653 HydrophobicContact CD1-CB 4.36Å; L449-M653 HydrophobicContact CD1-CE 4.17Å; L450-M653 HydrophobicContact CD2-SD 3.52Å; L450-M653 VanDerWaalsContact CD2-SD 3.52Å; L450-M653 HydrophobicContact CG-CE 4.46Å; L450-M653 HydrophobicContact CG-SD 3.81Å; L453-M653 HydrophobicContact CD1-CB 3.8Å; L453-M653 HydrophobicContact CD1-CG 3.61Å; L453-M653 HydrophobicContact CD1-SD 3.81Å; L648-M653 HydrophobicContact CB-CG 4.03Å; L648-M653 HydrophobicContact CB-SD 4.18Å; L648-M653 HydrophobicContact CD2-CG 3.57Å; L648-M653 HydrophobicContact CG-CG 4.44Å; A649-M653 WeakPolarHBondContact O-CG 3.38Å; A649-M653 PolarHBondContact O-N 2.72Å; A649-M653 VanDerWaalsContact O-N 3.11Å; K650-M653 HydrophobicContact CB-CE 4.49Å; K650-M653 HydrophobicContact CG-CE 4.36Å; K650-M653 PolarHBondContact O-N 2.83Å; E651-M653 VanDerWaalsContact C-N 3.33Å; E651-M653 PolarHBondContact O-N 3.49Å; M653-M656 HydrophobicContact CB-CE 4.41Å; M653-M656 HydrophobicContact CG-CE 4.15Å; M653-M656 PolarHBondContact O-N 2.98Å; M653-I657 WeakPolarHBondContact O-CD1 3.49Å; M653-I657 VanDerWaalsContact O-CG1 3.25Å; M653-I657 WeakPolarHBondContact O-CG1 3.34Å; M653-I657 PolarHBondContact O-N 3.32Å; M653-I657 VanDerWaalsContact O-N 3.13Å
654	L	79.4	Confident	71.9	Confident	14 Å²	14	54 Å²	54	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-46.3	176.3	-174.7	69.7	0	0	0	111.4	L438 M444 L449 K650 E651 E652 M656 I657 R658	L438-L654 HydrophobicContact CD2-CD1 4.37Å; M444-L654 HydrophobicContact CE-CD2 3.7Å; M444-L654 HydrophobicContact SD-CD1 4.04Å; M444-L654 HydrophobicContact SD-CD2 4.09Å; L449-L654 HydrophobicContact CD2-CD1 4.3Å; K650-L654 PolarHBondContact O-N 3.02Å; K650-L654 VanDerWaalsContact O-N 3.07Å; E651-L654 WeakPolarHBondContact O-CB 3.36Å; E651-L654 PolarHBondContact O-N 3.33Å; E651-L654 VanDerWaalsContact O-N 3.17Å; E652-L654 VanDerWaalsContact C-N 3.29Å; E652-L654 PolarHBondContact O-N 3.29Å; L654-M656 VanDerWaalsContact C-N 3.32Å; L654-M656 PolarHBondContact O-N 3.19Å; L654-I657 PolarHBondContact O-N 3.08Å; L654-I657 VanDerWaalsContact O-N 3.16Å; L654-R658 HydrophobicContact CD1-CG 4.47Å; L654-R658 HydrophobicContact CG-CG 4.32Å; L654-R658 WeakPolarHBondContact O-CB 3.3Å; L654-R658 WeakPolarHBondContact O-CG 3.45Å; L654-R658 PolarHBondContact O-N 3.23Å
655	Q	80.4	Confident	73.3	Confident	75 Å²	75	48.3 Å²	48.3	35%	0.35	24%	0.243	S	C	.	.	H	α-helix	trans	-57.7	-43.7	177.4	-76.1	-177.3	-23.2	0	0	111.9	E651 E652 I657 R658 H659	E651-Q655 WeakPolarHBondContact O-CG 3.39Å; E651-Q655 PolarHBondContact O-N 2.78Å; E652-Q655 PolarHBondContact O-N 3.4Å; Q655-I657 PolarHBondContact O-N 3.01Å; Q655-R658 PolarHBondContact O-N 3Å; Q655-H659 WeakPolarHBondContact O-CB 3.35Å; Q655-H659 PolarHBondContact O-N 2.75Å
656	M	81.2	Confident	74.4	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-42.1	176.5	-67.4	-171.3	-66.4	0	0	112.4	L453 W584 R619 L648 E652 M653 L654 G660	L453-M656 HydrophobicContact CD1-CE 4.14Å; L453-M656 HydrophobicContact CD2-CE 4.29Å; W584-M656 HydrophobicContact CH2-CE 3.71Å; W584-M656 HydrophobicContact CH2-SD 4.27Å; W584-M656 HydrophobicContact CZ3-CE 3.74Å; W584-M656 HydrophobicContact CZ3-SD 4Å; R619-M656 HydrophobicContact CB-CB 4.13Å; R619-M656 HydrophobicContact CB-CG 3.62Å; R619-M656 HydrophobicContact CB-SD 3.96Å; R619-M656 HydrophobicContact CG-CB 4.46Å; R619-M656 HydrophobicContact CG-CG 4.26Å; L648-M656 HydrophobicContact CD2-CE 3.13Å; L648-M656 HydrophobicContact CD2-SD 4.32Å; E652-M656 VanDerWaalsContact O-CG 3.29Å; E652-M656 WeakPolarHBondContact O-CG 3.48Å; E652-M656 PolarHBondContact O-N 3.26Å; M653-M656 HydrophobicContact CB-CE 4.41Å; M653-M656 HydrophobicContact CG-CE 4.15Å; M653-M656 PolarHBondContact O-N 2.98Å; L654-M656 VanDerWaalsContact C-N 3.32Å; L654-M656 PolarHBondContact O-N 3.19Å; M656-G660 PolarHBondContact O-N 3.06Å
657	I	82.7	Confident	75.3	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-68	-44.1	178.4	-61.2	161.1	0	0	0	110.4	L431 L438 L449 I452 L453 L456 V616 M653 L654 Q655 H659 G660 A661	L431-I657 HydrophobicContact CD2-CG2 3.64Å; L438-I657 HydrophobicContact CD2-CB 4.19Å; L438-I657 HydrophobicContact CD2-CG2 3.38Å; L449-I657 HydrophobicContact CD2-CD1 3.88Å; I452-I657 HydrophobicContact CB-CD1 4.21Å; I452-I657 HydrophobicContact CG2-CD1 3.9Å; I452-I657 HydrophobicContact CG2-CG1 4.34Å; I452-I657 HydrophobicContact CG2-CG2 4.21Å; L453-I657 HydrophobicContact CD2-CD1 4.34Å; L453-I657 HydrophobicContact CD2-CG1 3.71Å; L453-I657 HydrophobicContact CG-CD1 4.05Å; L453-I657 HydrophobicContact CG-CG1 3.97Å; L456-I657 HydrophobicContact CD1-CG1 4.21Å; L456-I657 HydrophobicContact CD1-CG2 3.85Å; V616-I657 HydrophobicContact CG1-CG1 4.39Å; M653-I657 WeakPolarHBondContact O-CD1 3.49Å; M653-I657 VanDerWaalsContact O-CG1 3.25Å; M653-I657 WeakPolarHBondContact O-CG1 3.34Å; M653-I657 PolarHBondContact O-N 3.32Å; M653-I657 VanDerWaalsContact O-N 3.13Å; L654-I657 PolarHBondContact O-N 3.08Å; L654-I657 VanDerWaalsContact O-N 3.16Å; Q655-I657 PolarHBondContact O-N 3.01Å; I657-H659 VanDerWaalsContact C-N 3.34Å; I657-H659 PolarHBondContact O-N 3.5Å; I657-G660 PolarHBondContact O-N 3.13Å; I657-A661 WeakPolarHBondContact O-CB 3.49Å; I657-A661 PolarHBondContact O-N 2.83Å
658	R	80.9	Confident	75.5	Confident	34 Å²	34	50.2 Å²	50.2	13%	0.128	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-41.9	178.5	-75.6	-175.3	177	-179.2	0.5	112.2	L438 L654 Q655 G660 A661 T662 E732 I734	L438-R658 PolarHBondContact O-NE 3.39Å; L438-R658 VanDerWaalsContact O-NE 3.13Å; L438-R658 PolarHBondContact O-NH2 3.16Å; L654-R658 HydrophobicContact CD1-CG 4.47Å; L654-R658 HydrophobicContact CG-CG 4.32Å; L654-R658 WeakPolarHBondContact O-CB 3.3Å; L654-R658 WeakPolarHBondContact O-CG 3.45Å; L654-R658 PolarHBondContact O-N 3.23Å; Q655-R658 PolarHBondContact O-N 3Å; R658-G660 VanDerWaalsContact C-N 3.33Å; R658-G660 PolarHBondContact O-N 3.32Å; R658-A661 WeakPolarHBondContact O-CB 3.4Å; R658-A661 PolarHBondContact O-N 2.8Å; R658-A661 VanDerWaalsContact O-N 3.09Å; R658-T662 PolarHBondContact O-N 3.12Å; R658-T662 PolarHBondContact O-OG1 3.1Å; R658-T662 VanDerWaalsContact O-OG1 3.06Å; R658-E732 IonicContact NH1-OE2 3.55Å; R658-I734 HydrophobicContact CG-CD1 4.21Å
659	H	78.1	Confident	75.8	Confident	48 Å²	48	56.8 Å²	56.8	22%	0.222	29%	0.29	C	S	.	.	H	α-helix	trans	-52.3	-50.9	175	179.1	-104.8	0	0	0	112.2	E618 R619 Q655 I657 A661	E618-H659 IonicContact OE2-CE1 3.02Å; R619-H659 HydrophobicContact CG-CB 4.38Å; R619-H659 PolarHBondContact NE-CD2 3.48Å; R619-H659 PolarHBondContact NE-CE1 3.26Å; R619-H659 VanDerWaalsContact NE-CG 3.3Å; R619-H659 PolarHBondContact NE-ND1 3.06Å; R619-H659 PolarHBondContact NH2-CD2 3.07Å; R619-H659 PolarHBondContact NH2-NE2 3.42Å; Q655-H659 WeakPolarHBondContact O-CB 3.35Å; Q655-H659 PolarHBondContact O-N 2.75Å; I657-H659 VanDerWaalsContact C-N 3.34Å; I657-H659 PolarHBondContact O-N 3.5Å; H659-A661 VanDerWaalsContact C-N 3.35Å
660	G	77	Confident	75.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-69.4	-33.1	178	0	0	0	0	0	113.3	N614 M656 I657 R658 V664	N614-G660 VanDerWaalsContact O-CA 3.31Å; N614-G660 WeakPolarHBondContact O-CA 3.34Å; M656-G660 PolarHBondContact O-N 3.06Å; I657-G660 PolarHBondContact O-N 3.13Å; R658-G660 VanDerWaalsContact C-N 3.33Å; R658-G660 PolarHBondContact O-N 3.32Å; G660-V664 WeakPolarHBondContact O-CB 3.37Å; G660-V664 VanDerWaalsContact O-CG2 3.22Å; G660-V664 WeakPolarHBondContact O-CG2 3.33Å; G660-V664 PolarHBondContact O-N 3.16Å; G660-V664 VanDerWaalsContact O-N 3.11Å
661	A	77.6	Confident	75.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-48.4	177.9	0	0	0	0	0	112.3	L431 I657 R658 H659 H663 V664 F665 I734	L431-A661 HydrophobicContact CD1-CB 3.69Å; L431-A661 HydrophobicContact CD2-CB 4.12Å; L431-A661 HydrophobicContact CG-CB 4.5Å; I657-A661 WeakPolarHBondContact O-CB 3.49Å; I657-A661 PolarHBondContact O-N 2.83Å; R658-A661 WeakPolarHBondContact O-CB 3.4Å; R658-A661 PolarHBondContact O-N 2.8Å; R658-A661 VanDerWaalsContact O-N 3.09Å; H659-A661 VanDerWaalsContact C-N 3.35Å; A661-H663 VanDerWaalsContact C-N 3.32Å; A661-H663 PolarHBondContact O-N 3.41Å; A661-V664 PolarHBondContact O-N 3.15Å; A661-F665 HydrophobicContact CB-CD2 4.15Å; A661-F665 HydrophobicContact CB-CE2 3.97Å; A661-F665 WeakPolarHBondContact O-CB 3.42Å; A661-F665 WeakPolarHBondContact O-CD2 3.44Å; A661-F665 PolarHBondContact O-N 2.8Å; A661-I734 HydrophobicContact CB-CD1 3.84Å
662	T	76.9	Confident	75.5	Confident	88 Å²	88	51.2 Å²	51.2	54%	0.54	27%	0.266	S	S	.	.	H	α-helix	trans	-56.9	-44.6	-178.3	-55.1	0	0	0	0	112	R658 A666	R658-T662 PolarHBondContact O-N 3.12Å; R658-T662 PolarHBondContact O-OG1 3.1Å; R658-T662 VanDerWaalsContact O-OG1 3.06Å; T662-A666 WeakPolarHBondContact O-CB 3.49Å; T662-A666 PolarHBondContact O-N 2.95Å
663	H	77.3	Confident	75.3	Confident	62 Å²	62	52.4 Å²	52.4	29%	0.287	28%	0.278	S	S	.	.	H	α-helix	trans	-70.2	-45.8	178.9	-172.2	-91.8	0	0	0	112.7	N614 A661 F665 A666 S667 E671	N614-H663 HydrophobicContact CB-CB 3.79Å; N614-H663 WeakPolarHBondContact CB-ND1 3.42Å; N614-H663 PolarHBondContact ND2-CE1 3.42Å; N614-H663 PolarHBondContact ND2-NE2 3.18Å; A661-H663 VanDerWaalsContact C-N 3.32Å; A661-H663 PolarHBondContact O-N 3.41Å; H663-F665 VanDerWaalsContact C-N 3.3Å; H663-F665 PolarHBondContact O-N 3.3Å; H663-A666 PolarHBondContact O-N 3.21Å; H663-A666 VanDerWaalsContact O-N 3.17Å; H663-S667 PolarHBondContact O-N 3.03Å; H663-S667 VanDerWaalsContact O-N 3.07Å; H663-S667 PolarHBondContact O-OG 3.14Å; H663-E671 IonicContact CE1-OE1 3.87Å; H663-E671 PolarHBondContact CE1-OE1 3Å; H663-E671 VanDerWaalsContact CE1-OE1 3.24Å; H663-E671 IonicContact CE1-OE2 3.89Å; H663-E671 IonicContact ND1-OE1 2.98Å
664	V	75.8	Confident	75.2	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-64.3	-34.7	-178.2	170.7	0	0	0	0	111.9	L419 R424 Y427 T428 G660 A661 S667	L419-V664 HydrophobicContact CD1-CG2 3.84Å; R424-V664 HydrophobicContact CG-CG1 4.07Å; Y427-V664 HydrophobicContact CD1-CB 4.21Å; Y427-V664 HydrophobicContact CD1-CG1 4.07Å; Y427-V664 HydrophobicContact CD1-CG2 3.73Å; Y427-V664 HydrophobicContact CE1-CB 4.49Å; Y427-V664 HydrophobicContact CE1-CG2 3.86Å; Y427-V664 HydrophobicContact CG-CG2 4.46Å; T428-V664 WeakPolarHBondContact OG1-CG1 3.34Å; G660-V664 WeakPolarHBondContact O-CB 3.37Å; G660-V664 VanDerWaalsContact O-CG2 3.22Å; G660-V664 WeakPolarHBondContact O-CG2 3.33Å; G660-V664 PolarHBondContact O-N 3.16Å; G660-V664 VanDerWaalsContact O-N 3.11Å; A661-V664 PolarHBondContact O-N 3.15Å; V664-S667 PolarHBondContact O-OG 3.08Å
665	F	76.8	Confident	75.2	Confident	47 Å²	47	61 Å²	61	21%	0.206	32%	0.322	C	S	.	.	H	α-helix	trans	-75.3	-26.9	175.2	-70.9	-57.9	0	0	0	113.8	T428 L431 M432 A661 H663 I734	T428-F665 HydrophobicContact CG2-CD1 4.4Å; T428-F665 HydrophobicContact CG2-CE1 3.86Å; L431-F665 HydrophobicContact CB-CE2 4.29Å; L431-F665 HydrophobicContact CB-CZ 3.96Å; L431-F665 HydrophobicContact CD1-CE2 4.05Å; L431-F665 HydrophobicContact CD1-CZ 4.26Å; M432-F665 HydrophobicContact CE-CE1 4.03Å; M432-F665 HydrophobicContact CG-CE1 4.18Å; M432-F665 HydrophobicContact CG-CZ 4.33Å; A661-F665 HydrophobicContact CB-CD2 4.15Å; A661-F665 HydrophobicContact CB-CE2 3.97Å; A661-F665 WeakPolarHBondContact O-CB 3.42Å; A661-F665 WeakPolarHBondContact O-CD2 3.44Å; A661-F665 PolarHBondContact O-N 2.8Å; H663-F665 VanDerWaalsContact C-N 3.3Å; H663-F665 PolarHBondContact O-N 3.3Å; F665-I734 HydrophobicContact CD2-CG2 3.44Å; F665-I734 VanDerWaalsContact CD2-CG2 3.44Å; F665-I734 HydrophobicContact CE2-CG2 3.51Å; F665-I734 HydrophobicContact CG-CG2 4.43Å
666	A	75.9	Confident	75.4	Confident	82 Å²	82	61.8 Å²	61.8	68%	0.678	33%	0.329	S	S	*	.	H	α-helix	trans	-78.8	-31.6	177.6	0	0	0	0	0	113.3	T662 H663	T662-A666 WeakPolarHBondContact O-CB 3.49Å; T662-A666 PolarHBondContact O-N 2.95Å; H663-A666 PolarHBondContact O-N 3.21Å; H663-A666 VanDerWaalsContact O-N 3.17Å
667	S	69.2	Low	75.7	Confident	28 Å²	28	62.1 Å²	62.1	20%	0.196	33%	0.331	C	S	.	.			trans	-86.1	140.4	-178	66.6	0	0	0	0	113.1	R424 H663 V664	R424-S667 VanDerWaalsContact CZ-OG 3.28Å; R424-S667 PolarHBondContact NE-OG 3.02Å; R424-S667 PolarHBondContact NH2-OG 3.14Å; H663-S667 PolarHBondContact O-N 3.03Å; H663-S667 VanDerWaalsContact O-N 3.07Å; H663-S667 PolarHBondContact O-OG 3.14Å; V664-S667 PolarHBondContact O-OG 3.08Å
668	K	63.5	Low	75.9	Confident	200 Å²	200	64.4 Å²	64.4	87%	0.87	35%	0.345	S	S	*	.			trans	-109.8	-29.1	179.9	-71.4	-174.5	-179.8	177	0	115.4	R424	R424-K668 PolarHBondContact NH1-O 3.18Å
669	E	68.4	Low	76.3	Confident	163 Å²	163	65.7 Å²	65.7	76%	0.762	36%	0.356	S	S	*	.	S	Bend	trans	-119.2	151.8	-175.3	-66.7	-177.2	168.6	0	0	114.6	R424 E671	R424-E669 VanDerWaalsContact NH1-CA 3.29Å; R424-E669 PolarHBondContact NH1-O 2.82Å; R424-E669 PolarHBondContact NH2-O 3.06Å; E669-E671 PolarHBondContact O-N 3.31Å
670	S	70.6	Confident	76.7	Confident	66 Å²	66	64.2 Å²	64.2	46%	0.462	35%	0.35	S	S	.	.			trans	-50	134.6	-179	53.4	0	0	0	0	112.2	L672	S670-L672 VanDerWaalsContact C-N 3.28Å; S670-L672 PolarHBondContact O-N 3.36Å
671	E	69.8	Low	77.3	Confident	53 Å²	53	65.5 Å²	65.5	25%	0.248	36%	0.357	C	S	.	.			trans	-90.3	6.9	-179.6	-75.7	156.9	-139.4	0	0	112.8	L419 R424 H663 E669 T673	L419-E671 PolarHBondContact O-N 3.36Å; R424-E671 IonicContact CZ-OE1 2.68Å; R424-E671 IonicContact NH2-OE1 3Å; R424-E671 PolarHBondContact NH2-OE1 3.1Å; H663-E671 IonicContact CE1-OE1 3.87Å; H663-E671 PolarHBondContact CE1-OE1 3Å; H663-E671 VanDerWaalsContact CE1-OE1 3.24Å; H663-E671 IonicContact CE1-OE2 3.89Å; H663-E671 IonicContact ND1-OE1 2.98Å; E669-E671 PolarHBondContact O-N 3.31Å; E671-T673 PolarHBondContact O-N 3.29Å
672	L	71.4	Confident	77.8	Confident	55 Å²	55	72 Å²	72	29%	0.288	39%	0.387	S	S	.	.			trans	-74.5	109.6	175.7	-59.8	-178	0	0	0	109	G418 G486 V489 S670	G418-L672 VanDerWaalsContact O-CD2 3.28Å; G418-L672 WeakPolarHBondContact O-CD2 3.43Å; G486-L672 VanDerWaalsContact CA-CD2 3.44Å; V489-L672 HydrophobicContact CG2-CD1 4.27Å; S670-L672 VanDerWaalsContact C-N 3.28Å; S670-L672 PolarHBondContact O-N 3.36Å
673	T	70.9	Confident	78.4	Confident	80 Å²	80	74.6 Å²	74.6	49%	0.491	39%	0.387	S	S	.	.			trans	-90.1	142.5	169.3	57.1	0	0	0	0	109.6	E671 E675	E671-T673 PolarHBondContact O-N 3.29Å; T673-E675 PolarHBondContact O-N 3.12Å; T673-E675 WeakPolarHBondContact OG1-CG 3.38Å; T673-E675 PolarHBondContact OG1-OE1 3.29Å
674	D	75.9	Confident	78.9	Confident	151 Å²	151	71.8 Å²	71.8	81%	0.807	38%	0.375	S	S	*	.			trans	-82.6	38.3	179.9	-134.6	-7.8	0	0	0	112.2	K493	K493-D674 IonicContact NZ-OD1 3.35Å; K493-D674 PolarHBondContact NZ-OD1 2.88Å
675	E	79.1	Confident	79.5	Confident	43 Å²	43	75.4 Å²	75.4	20%	0.201	39%	0.392	C	S	.	.			trans	-66.4	152.4	-178.9	-70.7	175	-149	0	0	111.3	K493 T673 I680 R683	K493-E675 PolarHBondContact NZ-O 2.85Å; T673-E675 PolarHBondContact O-N 3.12Å; T673-E675 WeakPolarHBondContact OG1-CG 3.38Å; T673-E675 PolarHBondContact OG1-OE1 3.29Å; E675-I680 HydrophobicContact CB-CD1 4.23Å; E675-I680 HydrophobicContact CB-CG1 4Å; E675-R683 VanDerWaalsContact CD-NH2 3.27Å; E675-R683 IonicContact OE1-CZ 2.92Å; E675-R683 IonicContact OE1-NH1 2.64Å; E675-R683 PolarHBondContact OE1-NH1 3.03Å; E675-R683 IonicContact OE1-NH2 2.96Å; E675-R683 PolarHBondContact OE1-NH2 3.35Å; E675-R683 IonicContact OE2-CZ 3.28Å; E675-R683 VanDerWaalsContact OE2-CZ 3.23Å; E675-R683 IonicContact OE2-NH1 3.03Å; E675-R683 PolarHBondContact OE2-NH1 3.37Å; E675-R683 IonicContact OE2-NH2 3.8Å; E675-R683 PolarHBondContact OE2-NH2 2.96Å
676	D	84.6	Confident	80.2	Confident	93 Å²	93	79.7 Å²	79.7	50%	0.497	41%	0.41	S	S	.	.			trans	-66.5	145	169.4	-173.7	13.9	0	0	0	110.1	T678 T679 I680	D676-T678 PolarHBondContact O-N 3.15Å; D676-T678 PolarHBondContact OD2-OG1 2.81Å; D676-T679 WeakPolarHBondContact O-CB 3.21Å; D676-T679 PolarHBondContact O-N 3.02Å; D676-T679 VanDerWaalsContact O-N 3.15Å; D676-I680 PolarHBondContact O-N 3.31Å
677	I	87	Confident	80.7	Confident	7 Å²	7	78.9 Å²	78.9	4%	0.036	39%	0.391	C	S	.	.	H	α-helix	trans	-60.7	-29	179.9	-171.6	60.3	0	0	0	111.8	V490 K493 L494 K497 I680 L681	V490-I677 HydrophobicContact CG1-CD1 3.87Å; K493-I677 HydrophobicContact CB-CB 4.05Å; K493-I677 HydrophobicContact CB-CD1 4.43Å; K493-I677 HydrophobicContact CB-CG1 4.4Å; L494-I677 HydrophobicContact CB-CD1 4.15Å; L494-I677 HydrophobicContact CB-CG1 4.37Å; L494-I677 HydrophobicContact CD1-CG1 4.39Å; K497-I677 HydrophobicContact CD-CG2 3.74Å; I677-I680 HydrophobicContact CD1-CB 4.49Å; I677-I680 PolarHBondContact O-N 3.2Å; I677-L681 HydrophobicContact CD1-CG 4.37Å; I677-L681 HydrophobicContact CG1-CD1 4.19Å; I677-L681 HydrophobicContact CG1-CG 4.29Å; I677-L681 WeakPolarHBondContact O-CB 3Å; I677-L681 WeakPolarHBondContact O-CG 3.38Å; I677-L681 PolarHBondContact O-N 3.4Å
678	T	87.6	Confident	81.6	Confident	48 Å²	48	77.8 Å²	77.8	29%	0.294	38%	0.384	S	S	.	.	H	α-helix	trans	-57.6	-53	173.4	53.7	0	0	0	0	111.6	D676 I680 L681 E682	D676-T678 PolarHBondContact O-N 3.15Å; D676-T678 PolarHBondContact OD2-OG1 2.81Å; T678-I680 VanDerWaalsContact C-N 3.35Å; T678-I680 PolarHBondContact O-N 3.06Å; T678-L681 PolarHBondContact O-N 3.04Å; T678-E682 WeakPolarHBondContact O-CG 3.48Å; T678-E682 PolarHBondContact O-N 3.33Å
679	T	88.8	Confident	82.7	Confident	61 Å²	61	71 Å²	71	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-42.2	178.7	-50.5	0	0	0	0	112	D676 L681 E682 R683	D676-T679 WeakPolarHBondContact O-CB 3.21Å; D676-T679 PolarHBondContact O-N 3.02Å; D676-T679 VanDerWaalsContact O-N 3.15Å; T679-L681 VanDerWaalsContact C-N 3.33Å; T679-L681 PolarHBondContact O-N 3.38Å; T679-E682 PolarHBondContact O-N 3.25Å; T679-R683 WeakPolarHBondContact O-CB 3.3Å; T679-R683 PolarHBondContact O-N 2.77Å
680	I	87.1	Confident	83.6	Confident	18 Å²	18	68.2 Å²	68.2	9%	0.092	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-42.8	177.3	-65.4	172.1	0	0	0	110.7	I415 L417 V490 E675 D676 I677 T678 G684	I415-I680 HydrophobicContact CG2-CG2 3.43Å; I415-I680 VanDerWaalsContact CG2-CG2 3.43Å; L417-I680 HydrophobicContact CD2-CG2 4.5Å; V490-I680 HydrophobicContact CG2-CD1 4.13Å; E675-I680 HydrophobicContact CB-CD1 4.23Å; E675-I680 HydrophobicContact CB-CG1 4Å; D676-I680 PolarHBondContact O-N 3.31Å; I677-I680 HydrophobicContact CD1-CB 4.49Å; I677-I680 PolarHBondContact O-N 3.2Å; T678-I680 VanDerWaalsContact C-N 3.35Å; T678-I680 PolarHBondContact O-N 3.06Å; I680-G684 PolarHBondContact O-N 3.06Å
681	L	89	Confident	84.2	Confident	27 Å²	27	66.3 Å²	66.3	14%	0.141	34%	0.336	C	S	.	.	H	α-helix	trans	-68.1	-41.4	178.9	-71.3	176.3	0	0	0	112.5	I415 L494 F608 I677 T678 T679 G684 E685	I415-L681 HydrophobicContact CD1-CD2 3.56Å; I415-L681 HydrophobicContact CG1-CD2 4.18Å; L494-L681 HydrophobicContact CD1-CD1 4.41Å; F608-L681 HydrophobicContact CD1-CD2 3.74Å; F608-L681 HydrophobicContact CE1-CD1 4.48Å; F608-L681 HydrophobicContact CE1-CD2 3.48Å; F608-L681 VanDerWaalsContact CE1-CD2 3.48Å; F608-L681 HydrophobicContact CZ-CD2 4.41Å; I677-L681 HydrophobicContact CD1-CG 4.37Å; I677-L681 HydrophobicContact CG1-CD1 4.19Å; I677-L681 HydrophobicContact CG1-CG 4.29Å; I677-L681 WeakPolarHBondContact O-CB 3Å; I677-L681 WeakPolarHBondContact O-CG 3.38Å; I677-L681 PolarHBondContact O-N 3.4Å; T678-L681 PolarHBondContact O-N 3.04Å; T679-L681 VanDerWaalsContact C-N 3.33Å; T679-L681 PolarHBondContact O-N 3.38Å; L681-G684 PolarHBondContact O-N 2.92Å; L681-E685 WeakPolarHBondContact O-CB 3.47Å; L681-E685 PolarHBondContact O-N 3.01Å
682	E	89.4	Confident	84.8	Confident	137 Å²	137	66.9 Å²	66.9	64%	0.64	34%	0.341	S	S	*	.	H	α-helix	trans	-64	-43.5	176.5	-73	177.7	-175.5	0	0	111.7	T678 T679 G684 E685 K686	T678-E682 WeakPolarHBondContact O-CG 3.48Å; T678-E682 PolarHBondContact O-N 3.33Å; T679-E682 PolarHBondContact O-N 3.25Å; E682-G684 VanDerWaalsContact C-N 3.34Å; E682-G684 PolarHBondContact O-N 3.48Å; E682-E685 PolarHBondContact O-N 3.37Å; E682-K686 PolarHBondContact O-N 3.36Å
683	R	88	Confident	85.4	Confident	141 Å²	141	68.9 Å²	68.9	53%	0.532	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-44.7	174.2	-173.7	-176.4	-65.5	163.3	4.7	111.1	E675 T679 K686 K687	E675-R683 VanDerWaalsContact CD-NH2 3.27Å; E675-R683 IonicContact OE1-CZ 2.92Å; E675-R683 IonicContact OE1-NH1 2.64Å; E675-R683 PolarHBondContact OE1-NH1 3.03Å; E675-R683 IonicContact OE1-NH2 2.96Å; E675-R683 PolarHBondContact OE1-NH2 3.35Å; E675-R683 IonicContact OE2-CZ 3.28Å; E675-R683 VanDerWaalsContact OE2-CZ 3.23Å; E675-R683 IonicContact OE2-NH1 3.03Å; E675-R683 PolarHBondContact OE2-NH1 3.37Å; E675-R683 IonicContact OE2-NH2 3.8Å; E675-R683 PolarHBondContact OE2-NH2 2.96Å; T679-R683 WeakPolarHBondContact O-CB 3.3Å; T679-R683 PolarHBondContact O-N 2.77Å; R683-K686 PolarHBondContact O-N 2.88Å; R683-K687 PolarHBondContact O-N 3.09Å
684	G	87.9	Confident	85.8	Confident	3 Å²	3	70.8 Å²	70.8	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-61.7	-43.1	176.7	0	0	0	0	0	112.7	K414 I680 L681 E682 T688	K414-G684 CarbonylContact O-C 3.51Å; K414-G684 WeakPolarHBondContact O-CA 3.36Å; I680-G684 PolarHBondContact O-N 3.06Å; L681-G684 PolarHBondContact O-N 2.92Å; E682-G684 VanDerWaalsContact C-N 3.34Å; E682-G684 PolarHBondContact O-N 3.48Å; G684-T688 VanDerWaalsContact O-CB 3.31Å; G684-T688 WeakPolarHBondContact O-CB 3.4Å; G684-T688 PolarHBondContact O-N 3.12Å; G684-T688 PolarHBondContact O-OG1 3.14Å
685	E	89.1	Confident	85.8	Confident	81 Å²	81	64.4 Å²	64.4	38%	0.379	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-45.6	176.8	-177.4	171.2	162.7	0	0	111.7	K411 I413 L681 E682 T688 A689	K411-E685 VanDerWaalsContact CE-OE1 3.32Å; K411-E685 WeakPolarHBondContact CE-OE1 3.16Å; K411-E685 IonicContact NZ-OE1 3.66Å; K411-E685 PolarHBondContact NZ-OE1 3.32Å; K411-E685 IonicContact NZ-OE2 3.33Å; K411-E685 PolarHBondContact NZ-OE2 3.41Å; I413-E685 HydrophobicContact CG2-CB 4.42Å; L681-E685 WeakPolarHBondContact O-CB 3.47Å; L681-E685 PolarHBondContact O-N 3.01Å; E682-E685 PolarHBondContact O-N 3.37Å; E685-T688 PolarHBondContact O-N 3.18Å; E685-A689 WeakPolarHBondContact O-CB 3.27Å; E685-A689 PolarHBondContact O-N 3.27Å
686	K	90.4	Very high	85.5	Confident	137 Å²	137	68.6 Å²	68.6	60%	0.596	33%	0.332	S	S	*	.	H	α-helix	trans	-61	-50.9	176.9	-174	-179.5	174.5	-175.3	0	112	E682 R683 T688 A689 E690	E682-K686 PolarHBondContact O-N 3.36Å; R683-K686 PolarHBondContact O-N 2.88Å; K686-T688 VanDerWaalsContact C-N 3.26Å; K686-T688 PolarHBondContact O-N 3.47Å; K686-A689 PolarHBondContact O-N 2.88Å; K686-A689 VanDerWaalsContact O-N 3.15Å; K686-E690 WeakPolarHBondContact CE-OE1 3.41Å; K686-E690 WeakPolarHBondContact O-CG 3.47Å; K686-E690 PolarHBondContact O-N 3.48Å
687	K	86.9	Confident	85.1	Confident	64 Å²	64	71.3 Å²	71.3	28%	0.278	34%	0.339	S	S	.	.	H	α-helix	trans	-61.8	-35.9	178.8	-169.7	168.6	171.1	-173.1	0	111.3	Y416 D613 E618 R683 M691	Y416-K687 HydrophobicContact CD1-CD 4.3Å; Y416-K687 HydrophobicContact CD2-CB 4.45Å; Y416-K687 HydrophobicContact CD2-CD 3.5Å; Y416-K687 HydrophobicContact CD2-CG 4.12Å; Y416-K687 HydrophobicContact CE1-CD 4.32Å; Y416-K687 HydrophobicContact CE2-CB 4.26Å; Y416-K687 HydrophobicContact CE2-CD 3.54Å; Y416-K687 HydrophobicContact CE2-CG 3.74Å; Y416-K687 HydrophobicContact CG-CD 3.89Å; D613-K687 IonicContact OD1-NZ 3.04Å; D613-K687 PolarHBondContact OD1-NZ 3.43Å; E618-K687 IonicContact OE1-NZ 3.47Å; E618-K687 PolarHBondContact OE1-NZ 3.47Å; R683-K687 PolarHBondContact O-N 3.09Å; K687-M691 WeakPolarHBondContact O-CB 3.44Å; K687-M691 PolarHBondContact O-N 3.24Å; K687-M691 VanDerWaalsContact O-N 3.09Å
688	T	87.7	Confident	84.1	Confident	6 Å²	6	72.5 Å²	72.5	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-65.8	-43.7	174.9	-54.2	0	0	0	0	112	K414 G684 E685 K686 N692	K414-T688 WeakPolarHBondContact CB-OG1 3.21Å; K414-T688 HydrophobicContact CD-CG2 4.31Å; K414-T688 HydrophobicContact CG-CG2 4.17Å; K414-T688 PolarHBondContact N-OG1 3.12Å; G684-T688 VanDerWaalsContact O-CB 3.31Å; G684-T688 WeakPolarHBondContact O-CB 3.4Å; G684-T688 PolarHBondContact O-N 3.12Å; G684-T688 PolarHBondContact O-OG1 3.14Å; E685-T688 PolarHBondContact O-N 3.18Å; K686-T688 VanDerWaalsContact C-N 3.26Å; K686-T688 PolarHBondContact O-N 3.47Å; T688-N692 WeakPolarHBondContact O-CB 3.39Å; T688-N692 PolarHBondContact O-N 2.99Å; T688-N692 PolarHBondContact O-ND2 3.41Å
689	A	88	Confident	82.7	Confident	57 Å²	57	72.1 Å²	72.1	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-46	177.9	0	0	0	0	0	111.9	E685 K686 M691 N692 E693	E685-A689 WeakPolarHBondContact O-CB 3.27Å; E685-A689 PolarHBondContact O-N 3.27Å; K686-A689 PolarHBondContact O-N 2.88Å; K686-A689 VanDerWaalsContact O-N 3.15Å; A689-M691 VanDerWaalsContact C-N 3.34Å; A689-M691 PolarHBondContact O-N 3.01Å; A689-N692 PolarHBondContact O-N 3.03Å; A689-E693 WeakPolarHBondContact O-CB 3.12Å; A689-E693 PolarHBondContact O-N 2.71Å
690	E	87.2	Confident	81.1	Confident	104 Å²	104	71.5 Å²	71.5	49%	0.486	34%	0.343	S	S	.	.	H	α-helix	trans	-59.6	-43.2	177.7	-72.4	172.4	178	0	0	112	K686 E693 R694	K686-E690 WeakPolarHBondContact CE-OE1 3.41Å; K686-E690 WeakPolarHBondContact O-CG 3.47Å; K686-E690 PolarHBondContact O-N 3.48Å; E690-E693 PolarHBondContact O-N 3.04Å; E690-R694 WeakPolarHBondContact O-CB 3.45Å; E690-R694 PolarHBondContact O-N 3.36Å
691	M	81.8	Confident	79.3	Confident	26 Å²	26	75 Å²	75	13%	0.128	37%	0.369	C	S	.	.	H	α-helix	trans	-69.2	-40.8	178.1	-174.2	174.8	60.4	0	0	112.5	K414 E625 K687 A689 E693 R694 L695	K414-M691 HydrophobicContact CD-CE 3.32Å; E625-M691 WeakPolarHBondContact OE2-CE 3.32Å; E625-M691 VanDerWaalsContact OE2-SD 3.33Å; K687-M691 WeakPolarHBondContact O-CB 3.44Å; K687-M691 PolarHBondContact O-N 3.24Å; K687-M691 VanDerWaalsContact O-N 3.09Å; A689-M691 VanDerWaalsContact C-N 3.34Å; A689-M691 PolarHBondContact O-N 3.01Å; M691-E693 VanDerWaalsContact C-N 3.29Å; M691-E693 PolarHBondContact O-N 2.95Å; M691-R694 PolarHBondContact O-N 3.42Å; M691-L695 HydrophobicContact CG-CD1 4.21Å; M691-L695 WeakPolarHBondContact O-CB 3.5Å; M691-L695 WeakPolarHBondContact O-CG 3.43Å; M691-L695 PolarHBondContact O-N 2.92Å
692	N	82.6	Confident	77.7	Confident	66 Å²	66	76.9 Å²	76.9	35%	0.353	39%	0.385	S	S	.	.	H	α-helix	trans	-60.2	-41.4	173.2	-80.6	-33.1	0	0	0	111.3	T688 A689 L695 Q696	T688-N692 WeakPolarHBondContact O-CB 3.39Å; T688-N692 PolarHBondContact O-N 2.99Å; T688-N692 PolarHBondContact O-ND2 3.41Å; A689-N692 PolarHBondContact O-N 3.03Å; N692-L695 PolarHBondContact O-N 2.86Å; N692-Q696 WeakPolarHBondContact O-CB 3.45Å; N692-Q696 VanDerWaalsContact O-CG 3.25Å; N692-Q696 WeakPolarHBondContact O-CG 3.3Å; N692-Q696 PolarHBondContact O-N 3.47Å
693	E	83.9	Confident	76	Confident	97 Å²	97	70.6 Å²	70.6	45%	0.453	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-42.5	175.5	-164.9	-172.6	160.3	0	0	111.6	A689 E690 M691 L695 Q696 K697	A689-E693 WeakPolarHBondContact O-CB 3.12Å; A689-E693 PolarHBondContact O-N 2.71Å; E690-E693 PolarHBondContact O-N 3.04Å; M691-E693 VanDerWaalsContact C-N 3.29Å; M691-E693 PolarHBondContact O-N 2.95Å; E693-L695 PolarHBondContact O-N 3.39Å; E693-Q696 PolarHBondContact O-N 3.22Å; E693-K697 HydrophobicContact CG-CD 4.28Å; E693-K697 WeakPolarHBondContact O-CB 3.48Å; E693-K697 WeakPolarHBondContact O-CG 3.39Å; E693-K697 PolarHBondContact O-N 2.72Å; E693-K697 VanDerWaalsContact OE1-CE 3.24Å; E693-K697 WeakPolarHBondContact OE1-CE 3.18Å; E693-K697 IonicContact OE1-NZ 3.74Å; E693-K697 PolarHBondContact OE1-NZ 2.89Å
694	R	79.6	Confident	74.1	Confident	120 Å²	120	67.9 Å²	67.9	45%	0.453	35%	0.345	S	S	.	.	H	α-helix	trans	-59.6	-46.2	174.4	-174	-179.7	179.9	-177.2	0.9	111.6	E690 M691 Q696 K697 M698 E711	E690-R694 WeakPolarHBondContact O-CB 3.45Å; E690-R694 PolarHBondContact O-N 3.36Å; M691-R694 PolarHBondContact O-N 3.42Å; R694-Q696 VanDerWaalsContact C-N 3.31Å; R694-Q696 PolarHBondContact O-N 3.18Å; R694-K697 PolarHBondContact O-N 3Å; R694-M698 HydrophobicContact CG-CE 4.35Å; R694-M698 WeakPolarHBondContact O-CG 3.17Å; R694-M698 PolarHBondContact O-N 3.19Å; R694-E711 IonicContact CZ-OE2 3.23Å; R694-E711 IonicContact NH2-OE2 3.22Å; R694-E711 PolarHBondContact NH2-OE2 3.29Å
695	L	75.6	Confident	72.1	Confident	17 Å²	17	74.1 Å²	74.1	9%	0.089	38%	0.378	C	S	.	.	H	α-helix	trans	-66.3	-31.3	177.1	-73	167.7	0	0	0	112.8	E625 I626 M691 N692 E693 M698 L703	E625-L695 HydrophobicContact CB-CD1 3.88Å; I626-L695 HydrophobicContact CG1-CD2 4.01Å; M691-L695 HydrophobicContact CG-CD1 4.21Å; M691-L695 WeakPolarHBondContact O-CB 3.5Å; M691-L695 WeakPolarHBondContact O-CG 3.43Å; M691-L695 PolarHBondContact O-N 2.92Å; N692-L695 PolarHBondContact O-N 2.86Å; E693-L695 PolarHBondContact O-N 3.39Å; L695-M698 HydrophobicContact CD2-CE 3.6Å; L695-M698 HydrophobicContact CG-CE 4.34Å; L695-L703 HydrophobicContact CD2-CD2 4.36Å
696	Q	73.6	Confident	69.8	Low	130 Å²	130	72.6 Å²	72.6	61%	0.607	37%	0.37	S	S	*	.	H	α-helix	trans	-71.9	-37.6	173.3	-76.8	178	17.1	0	0	112.3	N692 E693 R694	N692-Q696 WeakPolarHBondContact O-CB 3.45Å; N692-Q696 VanDerWaalsContact O-CG 3.25Å; N692-Q696 WeakPolarHBondContact O-CG 3.3Å; N692-Q696 PolarHBondContact O-N 3.47Å; E693-Q696 PolarHBondContact O-N 3.22Å; R694-Q696 VanDerWaalsContact C-N 3.31Å; R694-Q696 PolarHBondContact O-N 3.18Å
697	K	75.4	Confident	67.6	Low	151 Å²	151	75 Å²	75	66%	0.657	38%	0.376	S	S	*	.	H	α-helix	trans	-74	-31.9	178	-76.9	173	170	169.9	0	113.1	E693 R694 G699	E693-K697 HydrophobicContact CG-CD 4.28Å; E693-K697 WeakPolarHBondContact O-CB 3.48Å; E693-K697 WeakPolarHBondContact O-CG 3.39Å; E693-K697 PolarHBondContact O-N 2.72Å; E693-K697 VanDerWaalsContact OE1-CE 3.24Å; E693-K697 WeakPolarHBondContact OE1-CE 3.18Å; E693-K697 IonicContact OE1-NZ 3.74Å; E693-K697 PolarHBondContact OE1-NZ 2.89Å; R694-K697 PolarHBondContact O-N 3Å; K697-G699 PolarHBondContact O-N 3.04Å; K697-G699 VanDerWaalsContact O-N 3.14Å
698	M	66.4	Low	65.7	Low	32 Å²	32	73.2 Å²	73.2	16%	0.158	37%	0.368	C	S	.	.	S	Bend	trans	-62.6	116.5	176.6	-80.1	-163.3	-78.4	0	0	110.4	R694 L695 L703 F706	R694-M698 HydrophobicContact CG-CE 4.35Å; R694-M698 WeakPolarHBondContact O-CG 3.17Å; R694-M698 PolarHBondContact O-N 3.19Å; L695-M698 HydrophobicContact CD2-CE 3.6Å; L695-M698 HydrophobicContact CG-CE 4.34Å; M698-L703 HydrophobicContact CB-CD2 3.94Å; M698-L703 HydrophobicContact CB-CG 4.09Å; M698-L703 HydrophobicContact CE-CD2 4.09Å; M698-L703 HydrophobicContact SD-CD2 4.36Å; M698-F706 HydrophobicContact SD-CD2 4.15Å; M698-F706 HydrophobicContact SD-CE2 4.13Å
699	G	57.6	Low	63.2	Low	39 Å²	39	77.6 Å²	77.6	40%	0.402	39%	0.392	S	S	.	.			trans	-63.8	153.8	176.9	0	0	0	0	0	112.2	K697 S701 S702 L703	K697-G699 PolarHBondContact O-N 3.04Å; K697-G699 VanDerWaalsContact O-N 3.14Å; G699-S701 VanDerWaalsContact C-N 3.27Å; G699-S701 PolarHBondContact O-N 3.36Å; G699-S702 WeakPolarHBondContact O-CA 3.39Å; G699-S702 WeakPolarHBondContact O-CB 3.32Å; G699-S702 PolarHBondContact O-N 3.1Å; G699-L703 PolarHBondContact O-N 3.37Å
700	E	55.4	Low	60.7	Low	48 Å²	48	79.3 Å²	79.3	22%	0.224	39%	0.392	C	S	.	.	H	α-helix	trans	-53.2	-41.7	-176.5	-172.2	-173.4	164.1	0	0	113.1	I633 Q637 S702 L703 R704	I633-E700 HydrophobicContact CG2-CG 4.16Å; Q637-E700 PolarHBondContact OE1-OE2 3.2Å; E700-S702 VanDerWaalsContact C-N 3.32Å; E700-S702 PolarHBondContact O-N 2.87Å; E700-L703 PolarHBondContact O-N 3.25Å; E700-R704 WeakPolarHBondContact O-CG 3.33Å; E700-R704 PolarHBondContact O-N 3.02Å; E700-R704 IonicContact OE1-CZ 3.9Å; E700-R704 IonicContact OE1-NE 3.42Å; E700-R704 PolarHBondContact OE1-NE 3.01Å; E700-R704 IonicContact OE1-NH2 3.34Å; E700-R704 PolarHBondContact OE1-NH2 3.44Å
701	S	50.5	Low	58.2	Low	91 Å²	91	80.8 Å²	80.8	64%	0.636	40%	0.399	S	S	*	.	H	α-helix	trans	-61.3	-41.4	177.3	-45.7	0	0	0	0	111.8	G699 R704 N705	G699-S701 VanDerWaalsContact C-N 3.27Å; G699-S701 PolarHBondContact O-N 3.36Å; S701-R704 PolarHBondContact O-N 3.43Å; S701-N705 WeakPolarHBondContact O-CB 3.4Å; S701-N705 PolarHBondContact O-N 2.84Å
702	S	54.4	Low	55.9	Low	68 Å²	68	87.3 Å²	87.3	48%	0.476	43%	0.429	S	S	.	.	H	α-helix	trans	-68.3	-39.8	177.1	-55.6	0	0	0	0	111.3	G699 E700 R704 N705 F706	G699-S702 WeakPolarHBondContact O-CA 3.39Å; G699-S702 WeakPolarHBondContact O-CB 3.32Å; G699-S702 PolarHBondContact O-N 3.1Å; E700-S702 VanDerWaalsContact C-N 3.32Å; E700-S702 PolarHBondContact O-N 2.87Å; S702-R704 PolarHBondContact O-N 3.43Å; S702-N705 CarbonylContact O-C 3.41Å; S702-N705 PolarHBondContact O-N 3.26Å; S702-F706 WeakPolarHBondContact O-CA 3.27Å; S702-F706 VanDerWaalsContact O-CB 3.27Å; S702-F706 WeakPolarHBondContact O-CB 3.46Å; S702-F706 PolarHBondContact O-N 2.9Å
703	L	53.5	Low	53.5	Low	4 Å²	4	86.4 Å²	86.4	2%	0.021	43%	0.428	C	S	.	.	H	α-helix	trans	-64.6	-36.7	177.2	-70.2	170.9	0	0	0	112.7	I626 R629 L630 I633 L695 M698 G699 E700	I626-L703 HydrophobicContact CG2-CD2 4.46Å; R629-L703 HydrophobicContact CG-CD1 3.81Å; L630-L703 HydrophobicContact CD2-CB 4.03Å; I633-L703 HydrophobicContact CD1-CD1 4Å; L695-L703 HydrophobicContact CD2-CD2 4.36Å; M698-L703 HydrophobicContact CB-CD2 3.94Å; M698-L703 HydrophobicContact CB-CG 4.09Å; M698-L703 HydrophobicContact CE-CD2 4.09Å; M698-L703 HydrophobicContact SD-CD2 4.36Å; G699-L703 PolarHBondContact O-N 3.37Å; E700-L703 PolarHBondContact O-N 3.25Å
704	R	49.2	Very low	51.4	Low	84 Å²	84	88.8 Å²	88.8	32%	0.317	44%	0.443	S	S	.	.	H	α-helix	trans	-71.6	-40.6	175.9	-69.9	-175.7	-167.8	-154	4.4	112.6	L630 L640 E700 S701 S702 F706	L630-R704 HydrophobicContact CD2-CG 4.05Å; L640-R704 PolarHBondContact O-NH1 2.92Å; E700-R704 WeakPolarHBondContact O-CG 3.33Å; E700-R704 PolarHBondContact O-N 3.02Å; E700-R704 IonicContact OE1-CZ 3.9Å; E700-R704 IonicContact OE1-NE 3.42Å; E700-R704 PolarHBondContact OE1-NE 3.01Å; E700-R704 IonicContact OE1-NH2 3.34Å; E700-R704 PolarHBondContact OE1-NH2 3.44Å; S701-R704 PolarHBondContact O-N 3.43Å; S702-R704 PolarHBondContact O-N 3.43Å; R704-F706 VanDerWaalsContact C-N 3.28Å
705	N	45.3	Very low	49.4	Very low	134 Å²	134	88.3 Å²	88.3	72%	0.717	44%	0.442	S	S	*	.	S	Bend	trans	-90.5	8.8	180	-68	-9.2	0	0	0	112.7	S701 S702 R707	S701-N705 WeakPolarHBondContact O-CB 3.4Å; S701-N705 PolarHBondContact O-N 2.84Å; S702-N705 CarbonylContact O-C 3.41Å; S702-N705 PolarHBondContact O-N 3.26Å; N705-R707 PolarHBondContact O-N 3.15Å
706	F	41.8	Very low	47.3	Very low	49 Å²	49	94.5 Å²	94.5	22%	0.215	47%	0.468	C	S	.	.			trans	-67.1	87.6	-179.8	-167	-97	0	0	0	108.7	I626 M698 S702 R704 M708	I626-F706 HydrophobicContact CD1-CD1 3.44Å; I626-F706 VanDerWaalsContact CD1-CD1 3.44Å; I626-F706 HydrophobicContact CD1-CE1 3.55Å; I626-F706 HydrophobicContact CD1-CG 4.21Å; I626-F706 HydrophobicContact CD1-CZ 4.4Å; M698-F706 HydrophobicContact SD-CD2 4.15Å; M698-F706 HydrophobicContact SD-CE2 4.13Å; S702-F706 WeakPolarHBondContact O-CA 3.27Å; S702-F706 VanDerWaalsContact O-CB 3.27Å; S702-F706 WeakPolarHBondContact O-CB 3.46Å; S702-F706 PolarHBondContact O-N 2.9Å; R704-F706 VanDerWaalsContact C-N 3.28Å; F706-M708 HydrophobicContact CD1-CG 4.32Å; F706-M708 HydrophobicContact CE1-CB 4.47Å; F706-M708 HydrophobicContact CE1-CG 3.97Å
707	R	44.2	Very low	45.3	Very low	188 Å²	188	94.8 Å²	94.8	71%	0.709	47%	0.468	S	S	*	.			trans	-73.8	137.9	153.9	-67.4	-174.9	175.2	-166.4	-3.5	105.5	N705 D709	N705-R707 PolarHBondContact O-N 3.15Å; R707-D709 PolarHBondContact O-N 3.43Å
708	M	46.4	Very low	43.6	Very low	26 Å²	26	96.2 Å²	96.2	13%	0.128	48%	0.477	C	S	.	.			trans	-70.7	41.3	178.7	-57.7	-168.1	79	0	0	111.7	R619 E622 F706 I710	R619-M708 HydrophobicContact CB-CE 4.27Å; R619-M708 VanDerWaalsContact CD-CE 3.42Å; R619-M708 HydrophobicContact CG-CE 4.46Å; E622-M708 HydrophobicContact CB-CE 4.36Å; E622-M708 VanDerWaalsContact OE2-CE 3.29Å; E622-M708 WeakPolarHBondContact OE2-CE 3.04Å; F706-M708 HydrophobicContact CD1-CG 4.32Å; F706-M708 HydrophobicContact CE1-CB 4.47Å; F706-M708 HydrophobicContact CE1-CG 3.97Å; M708-I710 PolarHBondContact O-N 3.19Å
709	D	35.6	Very low	42.4	Very low	98 Å²	98	98.5 Å²	98.5	52%	0.524	51%	0.508	S	S	.	.			trans	-72.8	128.9	172.7	-73.2	-19.7	0	0	0	107.7	R707 E711	R707-D709 PolarHBondContact O-N 3.43Å; D709-E711 PolarHBondContact O-N 3.4Å
710	I	36	Very low	41.2	Very low	93 Å²	93	102.8 Å²	102.8	48%	0.477	52%	0.518	S	S	.	.			trans	-59	94.3	-171.3	-56.5	164.7	0	0	0	109	M708 Q712 S713	M708-I710 PolarHBondContact O-N 3.19Å; I710-Q712 HydrophobicContact CG2-CB 4.43Å; I710-Q712 VanDerWaalsContact CG2-O 3.26Å; I710-Q712 WeakPolarHBondContact CG2-O 3.48Å; I710-Q712 CarbonylContact O-C 3.57Å; I710-Q712 PolarHBondContact O-N 3.43Å; I710-Q712 VanDerWaalsContact O-N 3.1Å; I710-S713 PolarHBondContact O-N 3.24Å
711	E	33.2	Very low	40.5	Very low	135 Å²	135	104.1 Å²	104.1	63%	0.631	53%	0.526	S	S	*	.	S	Bend	trans	-65.5	-8.2	177.3	-86.3	-172.6	156.9	0	0	113.4	R694 D709 S713	R694-E711 IonicContact CZ-OE2 3.23Å; R694-E711 IonicContact NH2-OE2 3.22Å; R694-E711 PolarHBondContact NH2-OE2 3.29Å; D709-E711 PolarHBondContact O-N 3.4Å; E711-S713 PolarHBondContact O-N 3.39Å
712	Q	33.3	Very low	40.2	Very low	164 Å²	164	104.9 Å²	104.9	77%	0.766	52%	0.516	S	S	*	.	S	Bend	trans	-91.2	81	160.1	-72.4	-178.9	-8.4	0	0	108.3	I710 L714	I710-Q712 HydrophobicContact CG2-CB 4.43Å; I710-Q712 VanDerWaalsContact CG2-O 3.26Å; I710-Q712 WeakPolarHBondContact CG2-O 3.48Å; I710-Q712 CarbonylContact O-C 3.57Å; I710-Q712 PolarHBondContact O-N 3.43Å; I710-Q712 VanDerWaalsContact O-N 3.1Å; Q712-L714 VanDerWaalsContact C-N 3.26Å; Q712-L714 PolarHBondContact O-N 2.9Å
713	S	33.7	Very low	39.8	Very low	46 Å²	46	109.2 Å²	109.2	32%	0.322	52%	0.522	S	S	.	.			trans	-57.7	96	168.8	59.5	0	0	0	0	108.3	I710 E711 Y715 K716	I710-S713 PolarHBondContact O-N 3.24Å; E711-S713 PolarHBondContact O-N 3.39Å; S713-Y715 PolarHBondContact O-N 2.86Å; S713-K716 PolarHBondContact O-N 3.25Å
714	L	39.8	Very low	39.4	Very low	148 Å²	148	117.5 Å²	117.5	78%	0.775	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	-10	175.3	-85.2	153.4	0	0	0	113.3	Q712 K716	Q712-L714 VanDerWaalsContact C-N 3.26Å; Q712-L714 PolarHBondContact O-N 2.9Å; L714-K716 VanDerWaalsContact C-N 3.33Å
715	Y	37.3	Very low	39.1	Very low	109 Å²	109	122.5 Å²	122.5	43%	0.427	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.3	-9.4	175.3	-61.7	-78.5	0	0	0	114.9	S713 D721 Y722 R723	S713-Y715 PolarHBondContact O-N 2.86Å; Y715-D721 WeakPolarHBondContact O-CA 3.34Å; Y715-Y722 PolarHBondContact O-N 3.3Å; Y715-R723 HydrophobicContact CG-CG 4.48Å
716	K	31.1	Very low	38.6	Very low	147 Å²	147	122.4 Å²	122.4	64%	0.639	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.8	88.1	166.6	-79.1	-171	175.8	-176.4	0	109.6	S713 L714	S713-K716 PolarHBondContact O-N 3.25Å; L714-K716 VanDerWaalsContact C-N 3.33Å
717	F	32.2	Very low	38.2	Very low	137 Å²	137	129.1 Å²	129.1	60%	0.601	61%	0.609	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.3	124.7	173.5	-168	-100.1	0	0	0	108.4	G719 E720 Y722	F717-G719 VanDerWaalsContact C-N 3.25Å; F717-G719 PolarHBondContact O-N 3.46Å; F717-G719 VanDerWaalsContact O-N 3.14Å; F717-E720 PolarHBondContact N-O 2.84Å; F717-E720 PolarHBondContact O-N 3.06Å; F717-Y722 HydrophobicContact CB-CE2 4.28Å
718	E	39	Very low	37.7	Very low	181 Å²	181	127.3 Å²	127.3	85%	0.846	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.3	38.7	-176.6	-64.7	-166	154.9	0	0	116
719	G	42.2	Very low	37.2	Very low	79 Å²	79	130.2 Å²	130.2	81%	0.814	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.3	0.2	171.3	0	0	0	0	0	115.7	F717	F717-G719 VanDerWaalsContact C-N 3.25Å; F717-G719 PolarHBondContact O-N 3.46Å; F717-G719 VanDerWaalsContact O-N 3.14Å
720	E	32	Very low	37.1	Very low	129 Å²	129	132.8 Å²	132.8	60%	0.603	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110	139.5	172.1	-68.7	-167.1	159.1	0	0	112.1	F717 Y722	F717-E720 PolarHBondContact N-O 2.84Å; F717-E720 PolarHBondContact O-N 3.06Å; E720-Y722 HydrophobicContact CB-CE2 4.28Å
721	D	39.5	Very low	37.3	Very low	77 Å²	77	132.1 Å²	132.1	41%	0.412	66%	0.66	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.2	100.7	-177.8	-166.5	-15.6	0	0	0	109.8	Y715 R723	Y715-D721 WeakPolarHBondContact O-CA 3.34Å; D721-R723 PolarHBondContact O-N 2.81Å; D721-R723 VanDerWaalsContact O-N 3.08Å; D721-R723 WeakPolarHBondContact OD1-CD 3.46Å; D721-R723 VanDerWaalsContact OD1-CG 3.32Å; D721-R723 WeakPolarHBondContact OD1-CG 3.31Å
722	Y	45.5	Very low	38.1	Very low	106 Å²	106	131.1 Å²	131.1	42%	0.416	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-75.1	6.6	-172	-74.5	-82.9	0	0	0	115	Y715 F717 E720 E724 K725	Y715-Y722 PolarHBondContact O-N 3.3Å; F717-Y722 HydrophobicContact CB-CE2 4.28Å; E720-Y722 HydrophobicContact CB-CE2 4.28Å; Y722-E724 PolarHBondContact O-N 2.85Å; Y722-K725 PolarHBondContact O-N 3Å
723	R	44.4	Very low	38.7	Very low	160 Å²	160	131.2 Å²	131.2	60%	0.604	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-57.3	-31.6	177	-77.5	175.7	172.2	-176.5	-0.4	113.8	Y715 D721 K725 Q726	Y715-R723 HydrophobicContact CG-CG 4.48Å; D721-R723 PolarHBondContact O-N 2.81Å; D721-R723 VanDerWaalsContact O-N 3.08Å; D721-R723 WeakPolarHBondContact OD1-CD 3.46Å; D721-R723 VanDerWaalsContact OD1-CG 3.32Å; D721-R723 WeakPolarHBondContact OD1-CG 3.31Å; R723-K725 VanDerWaalsContact C-N 3.3Å; R723-K725 PolarHBondContact O-N 2.76Å; R723-Q726 PolarHBondContact O-N 3.28Å
724	E	44.9	Very low	39.7	Very low	178 Å²	178	129.8 Å²	129.8	83%	0.832	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-69.3	-25.9	-176.1	-68.9	-153.9	150.7	0	0	113.8	Y722	Y722-E724 PolarHBondContact O-N 2.85Å
725	K	43.6	Very low	40.4	Very low	188 Å²	188	130.4 Å²	130.4	82%	0.817	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-88.5	-4.4	-179.1	-74.6	-175	178.2	173.6	0	114.4	Y722 R723	Y722-K725 PolarHBondContact O-N 3Å; R723-K725 VanDerWaalsContact C-N 3.3Å; R723-K725 PolarHBondContact O-N 2.76Å
726	Q	34.4	Very low	41.1	Very low	132 Å²	132	128.2 Å²	128.2	62%	0.617	64%	0.635	S	S	*	*			trans	-124.4	46.3	-176.5	-121.8	-176.2	32.3	0	0	113	R723 L728	R723-Q726 PolarHBondContact O-N 3.28Å; Q726-L728 PolarHBondContact O-N 3.07Å
727	K	33.3	Very low	41.9	Very low	190 Å²	190	124.9 Å²	124.9	83%	0.826	63%	0.628	S	S	*	*			trans	-73.9	70.2	158.8	-75.9	-174.2	179.2	175.1	0	110.2
728	L	33.5	Very low	42.2	Very low	151 Å²	151	128.5 Å²	128.5	79%	0.791	64%	0.644	S	S	*	*	S	Bend	trans	-152.9	110.2	152.6	-136.4	81.2	0	0	0	107.4	Q726 M730	Q726-L728 PolarHBondContact O-N 3.07Å; L728-M730 PolarHBondContact O-N 2.98Å; L728-M730 VanDerWaalsContact O-N 3.11Å
729	G	36.3	Very low	41.9	Very low	86 Å²	86	129.7 Å²	129.7	89%	0.887	64%	0.641	S	S	*	*			trans	-58.5	114.8	-174.1	0	0	0	0	0	111.7
730	M	33.1	Very low	41.4	Very low	153 Å²	153	134.8 Å²	134.8	75%	0.754	64%	0.643	S	S	*	*			trans	-132.2	115.9	168.9	-96.6	-173.5	81.9	0	0	109.8	L728 E732 W733	L728-M730 PolarHBondContact O-N 2.98Å; L728-M730 VanDerWaalsContact O-N 3.11Å; M730-E732 PolarHBondContact O-N 3.31Å; M730-W733 HydrophobicContact CE-CB 4.34Å
731	V	42	Very low	41.1	Very low	79 Å²	79	140.4 Å²	140.4	48%	0.479	66%	0.659	S	S	.	*			trans	-36.9	128.6	156.4	179.2	0	0	0	0	109.2	W733	V731-W733 PolarHBondContact O-N 3.31Å
732	E	48.2	Very low	40.8	Very low	114 Å²	114	146.1 Å²	146.1	53%	0.533	68%	0.68	S	S	.	*			trans	-48.6	94	176.2	-66.7	171.8	149.8	0	0	110.8	R658 M730 I734	R658-E732 IonicContact NH1-OE2 3.55Å; M730-E732 PolarHBondContact O-N 3.31Å; E732-I734 PolarHBondContact O-N 2.81Å
733	W	46.9	Very low	40.3	Very low	165 Å²	165	146.2 Å²	146.2	63%	0.625	70%	0.703	S	S	*	*			trans	-86.2	110.1	-177.6	-175.4	-91.4	0	0	0	108.6	N439 M730 V731 E735	N439-W733 HydrophobicContact CB-CE3 4.48Å; N439-W733 HydrophobicContact CB-CZ3 4.33Å; M730-W733 HydrophobicContact CE-CB 4.34Å; V731-W733 PolarHBondContact O-N 3.31Å; W733-E735 PolarHBondContact O-N 2.86Å
734	I	55.4	Low	39.9	Very low	16 Å²	16	145.9 Å²	145.9	8%	0.082	71%	0.713	C	S	.	*			trans	-79.3	107.3	176.6	-58.1	173.7	0	0	0	107.7	L438 N439 R658 A661 F665 E732 P736	L438-I734 HydrophobicContact CB-CD1 4.5Å; N439-I734 PolarHBondContact ND2-O 3Å; N439-I734 PolarHBondContact OD1-N 2.89Å; R658-I734 HydrophobicContact CG-CD1 4.21Å; A661-I734 HydrophobicContact CB-CD1 3.84Å; F665-I734 HydrophobicContact CD2-CG2 3.44Å; F665-I734 VanDerWaalsContact CD2-CG2 3.44Å; F665-I734 HydrophobicContact CE2-CG2 3.51Å; F665-I734 HydrophobicContact CG-CG2 4.43Å; E732-I734 PolarHBondContact O-N 2.81Å; I734-P736 VanDerWaalsContact O-CD 3.31Å; I734-P736 WeakPolarHBondContact O-CD 3.38Å
735	E	54.6	Low	39.6	Very low	162 Å²	162	144.2 Å²	144.2	76%	0.757	70%	0.7	S	S	*	*			trans	-80.3	114.4	179.2	-167.1	176.1	-170	0	0	110.7	W733	W733-E735 PolarHBondContact O-N 2.86Å
736	P	51.4	Low	39.7	Very low	62 Å²	62	138.8 Å²	138.8	40%	0.403	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-73.1	141.8	178.9	26	-30.6	0	0	0	111.8	I435 I734	I435-P736 HydrophobicContact CD1-CB 3.61Å; I435-P736 HydrophobicContact CD1-CG 3.71Å; I734-P736 VanDerWaalsContact O-CD 3.31Å; I734-P736 WeakPolarHBondContact O-CD 3.38Å
737	P	47.6	Very low	40.3	Very low	77 Å²	77	134.5 Å²	134.5	50%	0.5	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-62.9	149	172	22.8	-31.1	0	0	0	112.2	M432 R739	M432-P737 HydrophobicContact CE-CG 3.48Å; M432-P737 VanDerWaalsContact CE-CG 3.48Å; P737-R739 PolarHBondContact O-N 3.49Å
738	K	38.6	Very low	41.2	Very low	213 Å²	213	130.6 Å²	130.6	93%	0.926	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-52.3	120.1	-173.9	-73.4	-177	178.8	177.7	0	111.5	E740	K738-E740 PolarHBondContact O-N 2.66Å
739	R	32	Very low	42	Very low	206 Å²	206	126.5 Å²	126.5	78%	0.777	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-71.7	117.2	-171.4	-128.9	178.2	-174.8	175	3.8	111.7	P737	P737-R739 PolarHBondContact O-N 3.49Å
740	E	31.6	Very low	42.3	Very low	187 Å²	187	127.1 Å²	127.1	87%	0.874	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-93.3	127	157.4	-76.4	-171	166	0	0	109.5	K738 K742	K738-E740 PolarHBondContact O-N 2.66Å; E740-K742 PolarHBondContact O-N 2.77Å
741	R	26.8	Very low	43.1	Very low	247 Å²	247	123.2 Å²	123.2	93%	0.932	61%	0.605	S	S	*	*			trans	-76.3	111.6	-175.6	-61.7	-172.2	-159.4	-176.9	6.4	110.3
742	K	32.5	Very low	43.6	Very low	196 Å²	196	129.2 Å²	129.2	85%	0.852	62%	0.619	S	S	*	*			trans	-129.4	148.2	153.9	-76.5	-171.3	179.3	176.6	0	110	E740	E740-K742 PolarHBondContact O-N 2.77Å
743	A	34.7	Very low	43.6	Very low	108 Å²	108	128.5 Å²	128.5	89%	0.893	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-58.1	137.9	-158.7	0	0	0	0	0	114.9
744	N	35.8	Very low	43.5	Very low	154 Å²	154	123.3 Å²	123.3	82%	0.824	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-79.3	131	-176.1	-69.2	-30.7	0	0	0	112
745	Y	39.4	Very low	43.3	Very low	142 Å²	142	128.8 Å²	128.8	56%	0.557	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-83.7	126.2	172.1	-176.9	-101.1	0	0	0	110.6	V747	Y745-V747 HydrophobicContact CD1-CG2 3.52Å; Y745-V747 HydrophobicContact CE1-CG2 3.77Å; Y745-V747 PolarHBondContact O-N 2.68Å
746	A	46.7	Very low	42.7	Very low	74 Å²	74	127.8 Å²	127.8	61%	0.612	63%	0.626	S	S	*	*			trans	-91.9	76.2	-171.6	0	0	0	0	0	112.7	D748 A749	A746-D748 PolarHBondContact O-N 3.29Å; A746-A749 WeakPolarHBondContact O-CB 3.42Å; A746-A749 PolarHBondContact O-N 2.81Å
747	V	46.2	Very low	42.4	Very low	42 Å²	42	132 Å²	132	26%	0.255	65%	0.65	S	S	.	*	H	α-helix	trans	-60	-26.8	178.1	-176.8	0	0	0	0	113.1	Y745 A749 Y750	Y745-V747 HydrophobicContact CD1-CG2 3.52Å; Y745-V747 HydrophobicContact CE1-CG2 3.77Å; Y745-V747 PolarHBondContact O-N 2.68Å; V747-A749 PolarHBondContact O-N 3.23Å; V747-Y750 VanDerWaalsContact O-CB 3.32Å; V747-Y750 WeakPolarHBondContact O-CB 3.5Å; V747-Y750 PolarHBondContact O-N 3.18Å
748	D	52.1	Low	41.9	Very low	109 Å²	109	132.3 Å²	132.3	58%	0.583	65%	0.654	S	S	*	*	H	α-helix	trans	-67.4	-23.9	-176.6	-58.7	-6.8	0	0	0	111.9	K433 A746 Y750 R752	K433-D748 IonicContact NZ-OD1 3.69Å; K433-D748 PolarHBondContact NZ-OD1 2.79Å; A746-D748 PolarHBondContact O-N 3.29Å; D748-Y750 VanDerWaalsContact C-N 3.33Å; D748-R752 PolarHBondContact O-N 3.03Å
749	A	49.9	Very low	41.8	Very low	65 Å²	65	130.6 Å²	130.6	54%	0.537	65%	0.649	S	S	.	*	H	α-helix	trans	-65.5	-36.4	171.7	0	0	0	0	0	111.9	A746 V747 R752 E753	A746-A749 WeakPolarHBondContact O-CB 3.42Å; A746-A749 PolarHBondContact O-N 2.81Å; V747-A749 PolarHBondContact O-N 3.23Å; A749-R752 PolarHBondContact O-N 3.43Å; A749-E753 PolarHBondContact O-N 3.2Å
750	Y	43.9	Very low	42.2	Very low	99 Å²	99	126.8 Å²	126.8	39%	0.388	65%	0.651	S	S	.	*	H	α-helix	trans	-64	-43.9	179.1	174.6	-96.3	0	0	0	111.9	V747 D748 E753 A754	V747-Y750 VanDerWaalsContact O-CB 3.32Å; V747-Y750 WeakPolarHBondContact O-CB 3.5Å; V747-Y750 PolarHBondContact O-N 3.18Å; D748-Y750 VanDerWaalsContact C-N 3.33Å; Y750-E753 CarbonylContact O-C 3.58Å; Y750-E753 PolarHBondContact O-N 3.49Å; Y750-A754 HydrophobicContact CD1-CB 4.47Å; Y750-A754 HydrophobicContact CE1-CB 4.16Å; Y750-A754 WeakPolarHBondContact O-CB 3.42Å; Y750-A754 PolarHBondContact O-N 2.9Å
751	F	48.4	Very low	42.7	Very low	71 Å²	71	126.9 Å²	126.9	31%	0.311	65%	0.648	S	S	.	*	H	α-helix	trans	-74.3	-31.2	179.5	-84	-76.7	0	0	0	113.3	E753 A754 L755	F751-E753 PolarHBondContact O-N 2.87Å; F751-A754 PolarHBondContact O-N 2.88Å; F751-L755 VanDerWaalsContact O-CB 3.26Å; F751-L755 WeakPolarHBondContact O-CB 3.49Å; F751-L755 WeakPolarHBondContact O-CG 3.47Å; F751-L755 PolarHBondContact O-N 3.31Å
752	R	52.7	Low	43.7	Very low	205 Å²	205	118.3 Å²	118.3	77%	0.774	62%	0.621	S	S	*	*	H	α-helix	trans	-62.4	-27.9	171.9	-154.1	-178.8	-86.1	166.2	-6.1	111.1	D748 A749	D748-R752 PolarHBondContact O-N 3.03Å; A749-R752 PolarHBondContact O-N 3.43Å
753	E	48.9	Very low	44.7	Very low	98 Å²	98	114.2 Å²	114.2	46%	0.458	61%	0.614	S	S	.	*	H	α-helix	trans	-86.7	-43.5	174.1	-151.7	62.8	-140.5	0	0	112.7	A749 Y750 F751 L755 R756	A749-E753 PolarHBondContact O-N 3.2Å; Y750-E753 CarbonylContact O-C 3.58Å; Y750-E753 PolarHBondContact O-N 3.49Å; F751-E753 PolarHBondContact O-N 2.87Å; E753-L755 VanDerWaalsContact C-N 3.31Å; E753-L755 PolarHBondContact O-N 3.44Å; E753-R756 WeakPolarHBondContact O-CB 3.39Å; E753-R756 PolarHBondContact O-N 2.93Å; E753-R756 IonicContact OE1-NH1 2.75Å; E753-R756 IonicContact OE2-NH1 3.66Å
754	A	45.1	Very low	45.9	Very low	56 Å²	56	117.2 Å²	117.2	46%	0.463	61%	0.607	S	S	.	*	H	α-helix	trans	-69.9	-23	-179.5	0	0	0	0	0	114	Y750 F751 R756	Y750-A754 HydrophobicContact CD1-CB 4.47Å; Y750-A754 HydrophobicContact CE1-CB 4.16Å; Y750-A754 WeakPolarHBondContact O-CB 3.42Å; Y750-A754 PolarHBondContact O-N 2.9Å; F751-A754 PolarHBondContact O-N 2.88Å; A754-R756 VanDerWaalsContact C-N 3.35Å
755	L	49.6	Very low	47.5	Very low	132 Å²	132	111.1 Å²	111.1	69%	0.691	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-7.5	171.9	-76.1	161.1	0	0	0	113.1	F751 E753 V757	F751-L755 VanDerWaalsContact O-CB 3.26Å; F751-L755 WeakPolarHBondContact O-CB 3.49Å; F751-L755 WeakPolarHBondContact O-CG 3.47Å; F751-L755 PolarHBondContact O-N 3.31Å; E753-L755 VanDerWaalsContact C-N 3.31Å; E753-L755 PolarHBondContact O-N 3.44Å; L755-V757 PolarHBondContact O-N 3.37Å
756	R	43.7	Very low	49.1	Very low	141 Å²	141	106.7 Å²	106.7	53%	0.532	57%	0.567	S	S	.	*			trans	-75.5	97.4	167	-77.8	177	166.4	-177.9	-9.4	108	E753 A754 S758	E753-R756 WeakPolarHBondContact O-CB 3.39Å; E753-R756 PolarHBondContact O-N 2.93Å; E753-R756 IonicContact OE1-NH1 2.75Å; E753-R756 IonicContact OE2-NH1 3.66Å; A754-R756 VanDerWaalsContact C-N 3.35Å; R756-S758 PolarHBondContact O-N 2.87Å; R756-S758 VanDerWaalsContact O-N 3.08Å
757	V	43.6	Very low	50.4	Low	149 Å²	149	111 Å²	111	90%	0.903	57%	0.567	S	S	*	*			trans	-72.2	10.8	173	-164.9	0	0	0	0	111.9	L755	L755-V757 PolarHBondContact O-N 3.37Å
758	S	38.8	Very low	51.7	Low	84 Å²	84	110 Å²	110	59%	0.587	56%	0.562	S	S	*	*	S	Bend	trans	-102.2	123.6	172.4	55.7	0	0	0	0	109.1	R756	R756-S758 PolarHBondContact O-N 2.87Å; R756-S758 VanDerWaalsContact O-N 3.08Å
759	E	36	Very low	52.4	Low	178 Å²	178	110.4 Å²	110.4	83%	0.832	57%	0.57	S	S	*	*			trans	-38.1	148.6	178.8	-74.5	179.9	164.1	0	0	114.4	K761	E759-K761 PolarHBondContact O-N 3.37Å
760	P	40.4	Very low	53.2	Low	126 Å²	126	116.8 Å²	116.8	82%	0.818	59%	0.586	S	S	*	*			trans	-66.6	100.5	-167.4	27.1	-33.2	0	0	0	110.7	I762	P760-I762 PolarHBondContact O-N 3.5Å
761	K	42.4	Very low	54.4	Low	188 Å²	188	114.1 Å²	114.1	82%	0.817	58%	0.577	S	S	*	*			trans	-60.7	110.5	159.4	-68.5	-169.6	176.7	-171.8	0	106.9	E759	E759-K761 PolarHBondContact O-N 3.37Å
762	I	47.7	Very low	55.5	Low	68 Å²	68	113 Å²	113	35%	0.349	58%	0.576	S	S	.	*	S	Bend	trans	22	120.5	163	-51.4	168.8	0	0	0	115	P760 K764 P804 N806	P760-I762 PolarHBondContact O-N 3.5Å; I762-K764 PolarHBondContact O-N 3.43Å; I762-P804 HydrophobicContact CG2-CB 4.18Å; I762-P804 HydrophobicContact CG2-CG 4.35Å; I762-N806 HydrophobicContact CD1-CB 3.95Å
763	P	52.9	Low	56.6	Low	110 Å²	110	109.4 Å²	109.4	71%	0.714	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-50.7	125.8	-178	18.7	-30.8	0	0	0	112.1	A765	P763-A765 PolarHBondContact O-N 2.85Å
764	K	59.2	Low	58.2	Low	170 Å²	170	106.5 Å²	106.5	74%	0.739	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-57.8	130.9	-178.1	-76.2	178.1	179.8	167	0	110.3	I762	I762-K764 PolarHBondContact O-N 3.43Å
765	A	70.3	Confident	60.1	Low	27 Å²	27	106.2 Å²	106.2	22%	0.223	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-56.6	140.3	179.6	0	0	0	0	0	112	P763 Y801	P763-A765 PolarHBondContact O-N 2.85Å; A765-Y801 HydrophobicContact CB-CE1 3.95Å; A765-Y801 HydrophobicContact CB-CE2 4.47Å; A765-Y801 WeakPolarHBondContact CB-OH 3.49Å
766	P	71.7	Confident	61.8	Low	48 Å²	48	102.5 Å²	102.5	31%	0.312	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-58.2	144.1	-178.9	-21.5	31.2	0	0	0	112.3	Y795 R796 I799 Y801	P766-Y795 HydrophobicContact CB-CE1 4.39Å; P766-R796 PolarHBondContact O-NE 3.47Å; P766-I799 HydrophobicContact CB-CD1 3.58Å; P766-I799 HydrophobicContact CG-CD1 3.77Å; P766-Y801 HydrophobicContact CG-CD2 3.77Å; P766-Y801 HydrophobicContact CG-CE2 4.09Å; P766-Y801 HydrophobicContact CG-CG 4.42Å
767	R	74.3	Confident	63.9	Low	164 Å²	164	96 Å²	96	62%	0.619	51%	0.507	S	S	*	.			trans	-120.7	152.4	175.3	-68.8	-171	179.5	-117.1	2.5	110.4	Y795	R767-Y795 VanDerWaalsContact C-CE1 3.5Å; R767-Y795 WeakPolarHBondContact O-CE1 3.32Å
768	P	74.2	Confident	66.2	Low	23 Å²	23	89.7 Å²	89.7	15%	0.149	47%	0.468	C	S	.	.			trans	-60.4	144.4	177.6	-14.6	24.4	0	0	0	111.7	K770 Q771 I792 Y795	P768-K770 PolarHBondContact O-N 3.26Å; P768-K770 VanDerWaalsContact O-N 3.15Å; P768-Q771 HydrophobicContact CB-CG 4.19Å; P768-Q771 HydrophobicContact CG-CG 4.01Å; P768-I792 HydrophobicContact CG-CG1 4.47Å; P768-Y795 HydrophobicContact CB-CD1 4.23Å; P768-Y795 HydrophobicContact CB-CD2 4.28Å; P768-Y795 HydrophobicContact CB-CG 4.01Å; P768-Y795 HydrophobicContact CG-CD1 3.97Å; P768-Y795 HydrophobicContact CG-CG 3.82Å
769	P	67.1	Low	68.7	Low	116 Å²	116	85.9 Å²	85.9	75%	0.753	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.8	-174.1	-19.9	29.1	0	0	0	115.5
770	K	66.7	Low	71.2	Confident	199 Å²	199	77.8 Å²	77.8	87%	0.865	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	23.6	-168.5	-67	-171.7	178.5	-179.7	0	114.1	P768	P768-K770 PolarHBondContact O-N 3.26Å; P768-K770 VanDerWaalsContact O-N 3.15Å
771	Q	69	Low	73.5	Confident	43 Å²	43	72.9 Å²	72.9	20%	0.201	37%	0.371	C	S	.	.			trans	-68.7	140.1	177.6	-84.9	-163.7	-25.7	0	0	112	P768 N773 L788	P768-Q771 HydrophobicContact CB-CG 4.19Å; P768-Q771 HydrophobicContact CG-CG 4.01Å; Q771-N773 PolarHBondContact O-N 2.87Å; Q771-L788 PolarHBondContact NE2-O 3.39Å; Q771-L788 VanDerWaalsContact NE2-O 3.13Å
772	P	71.6	Confident	75.5	Confident	47 Å²	47	68 Å²	68	31%	0.305	36%	0.359	S	S	.	.			trans	-59	133	170.1	-13.9	25.7	0	0	0	109.6	V774 L841	P772-V774 VanDerWaalsContact C-N 3.35Å; P772-V774 HydrophobicContact CB-CG1 4.44Å; P772-V774 PolarHBondContact O-N 3.43Å; P772-L841 HydrophobicContact CB-CD2 3.86Å; P772-L841 HydrophobicContact CG-CD1 3.85Å; P772-L841 HydrophobicContact CG-CD2 3.9Å
773	N	76.4	Confident	77.5	Confident	131 Å²	131	68.9 Å²	68.9	70%	0.701	36%	0.358	S	S	*	.			trans	-78.8	86	176.8	-176.7	32.4	0	0	0	109.9	Q771	Q771-N773 PolarHBondContact O-N 2.87Å
774	V	81.1	Confident	79.2	Confident	37 Å²	37	63.7 Å²	63.7	22%	0.224	32%	0.324	C	S	.	.			trans	-83.2	126.7	176.6	-66.9	0	0	0	0	110.4	P772 F780 L784 F785 L788 L841	P772-V774 VanDerWaalsContact C-N 3.35Å; P772-V774 HydrophobicContact CB-CG1 4.44Å; P772-V774 PolarHBondContact O-N 3.43Å; V774-F780 HydrophobicContact CB-CD2 4.01Å; V774-F780 HydrophobicContact CB-CE2 4.02Å; V774-F780 HydrophobicContact CG1-CD2 3.94Å; V774-F780 HydrophobicContact CG1-CE2 3.78Å; V774-F780 HydrophobicContact CG1-CZ 4.3Å; V774-L784 HydrophobicContact CG1-CD2 4.09Å; V774-F785 HydrophobicContact CG2-CE1 3.99Å; V774-L788 HydrophobicContact CG1-CD1 4.25Å; V774-L788 HydrophobicContact CG2-CD1 3.84Å; V774-L841 HydrophobicContact CG1-CD2 4.18Å
775	Q	84.8	Confident	80.5	Confident	50 Å²	50	59.7 Å²	59.7	23%	0.234	31%	0.307	C	S	.	.			trans	-108.6	147.9	174.4	-68.8	176.1	81.4	0	0	109.9	F777 Q778	Q775-F777 HydrophobicContact CB-CD1 3.91Å; Q775-F777 HydrophobicContact CB-CE1 3.49Å; Q775-F777 VanDerWaalsContact CB-CE1 3.49Å; Q775-F777 HydrophobicContact CB-CE2 4.36Å; Q775-F777 HydrophobicContact CB-CZ 3.71Å; Q775-F777 VanDerWaalsContact CD-CZ 3.46Å; Q775-F777 HydrophobicContact CG-CE1 4.01Å; Q775-F777 HydrophobicContact CG-CZ 4.17Å; Q775-F777 PolarHBondContact O-N 3.32Å; Q775-F777 VanDerWaalsContact OE1-CZ 3.28Å; Q775-Q778 HydrophobicContact CB-CG 4.32Å; Q775-Q778 VanDerWaalsContact N-OE1 3.16Å; Q775-Q778 WeakPolarHBondContact O-CB 3.39Å; Q775-Q778 PolarHBondContact O-N 3Å; Q775-Q778 VanDerWaalsContact O-N 3.12Å
776	D	85.1	Confident	81.3	Confident	54 Å²	54	62.9 Å²	62.9	29%	0.289	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-59.6	-42.1	-176.9	53.9	-9.8	0	0	0	112.5	Q778 F779 L897 Q898	D776-Q778 PolarHBondContact O-N 2.98Å; D776-F779 PolarHBondContact O-N 2.71Å; D776-L897 HydrophobicContact CB-CD2 4.06Å; D776-Q898 PolarHBondContact OD2-N 3.46Å; D776-Q898 VanDerWaalsContact OD2-N 3.12Å
777	F	89.1	Confident	82	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.018	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-65.6	-4.9	176.8	67.3	-102.8	0	0	0	115.3	Q775 F779 K850 F853 Y886 L897	Q775-F777 HydrophobicContact CB-CD1 3.91Å; Q775-F777 HydrophobicContact CB-CE1 3.49Å; Q775-F777 VanDerWaalsContact CB-CE1 3.49Å; Q775-F777 HydrophobicContact CB-CE2 4.36Å; Q775-F777 HydrophobicContact CB-CZ 3.71Å; Q775-F777 VanDerWaalsContact CD-CZ 3.46Å; Q775-F777 HydrophobicContact CG-CE1 4.01Å; Q775-F777 HydrophobicContact CG-CZ 4.17Å; Q775-F777 PolarHBondContact O-N 3.32Å; Q775-F777 VanDerWaalsContact OE1-CZ 3.28Å; F777-F779 VanDerWaalsContact O-CD2 3.3Å; F777-F779 WeakPolarHBondContact O-CD2 3.5Å; F777-F779 WeakPolarHBondContact O-CE2 3.31Å; F777-K850 HydrophobicContact CE1-CB 4.05Å; F777-K850 HydrophobicContact CE1-CG 4.22Å; F777-K850 HydrophobicContact CZ-CB 3.86Å; F777-F853 HydrophobicContact CB-CD1 4.23Å; F777-F853 HydrophobicContact CB-CD2 3.59Å; F777-F853 HydrophobicContact CB-CE1 4.33Å; F777-F853 HydrophobicContact CB-CE2 3.68Å; F777-F853 HydrophobicContact CB-CG 3.85Å; F777-F853 HydrophobicContact CB-CZ 4.05Å; F777-F853 HydrophobicContact CD1-CB 4.47Å; F777-F853 HydrophobicContact CD1-CD1 4.1Å; F777-F853 HydrophobicContact CD1-CG 4.2Å; F777-F853 HydrophobicContact CD2-CB 3.92Å; F777-F853 HydrophobicContact CD2-CD2 4.45Å; F777-F853 HydrophobicContact CD2-CG 4.19Å; F777-F853 HydrophobicContact CE2-CB 4.28Å; F777-F853 HydrophobicContact CG-CB 4.05Å; F777-F853 HydrophobicContact CG-CD1 4.17Å; F777-F853 HydrophobicContact CG-CD2 4.06Å; F777-F853 AromaticContact CG-CG 3.83Å; F777-F853 HydrophobicContact CG-CG 3.83Å; F777-Y886 VanDerWaalsContact O-CE2 3.3Å; F777-Y886 WeakPolarHBondContact O-CE2 3.44Å; F777-Y886 PolarHBondContact O-OH 3.23Å; F777-L897 HydrophobicContact CB-CD2 3.97Å
778	Q	91.4	Very high	82.6	Confident	17 Å²	17	53.3 Å²	53.3	8%	0.079	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-89.1	-5.3	173.5	-59.7	-178.5	-65.2	0	0	112.5	Q775 D776 F780 G844 F845 W848	Q775-Q778 HydrophobicContact CB-CG 4.32Å; Q775-Q778 VanDerWaalsContact N-OE1 3.16Å; Q775-Q778 WeakPolarHBondContact O-CB 3.39Å; Q775-Q778 PolarHBondContact O-N 3Å; Q775-Q778 VanDerWaalsContact O-N 3.12Å; D776-Q778 PolarHBondContact O-N 2.98Å; Q778-F780 VanDerWaalsContact C-N 3.34Å; Q778-F780 HydrophobicContact CB-CD2 3.92Å; Q778-F780 HydrophobicContact CB-CE2 3.51Å; Q778-F780 HydrophobicContact CB-CZ 4.25Å; Q778-F780 HydrophobicContact CG-CE2 4.34Å; Q778-F780 PolarHBondContact O-N 3.34Å; Q778-G844 CarbonylContact O-C 3.49Å; Q778-G844 WeakPolarHBondContact O-CA 3.33Å; Q778-F845 PolarHBondContact NE2-O 2.98Å; Q778-F845 PolarHBondContact O-N 3.33Å; Q778-W848 PolarHBondContact NE2-O 2.94Å
779	F	91	Very high	83.2	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.018	29%	0.291	C	S	.	.			trans	53.6	42.1	171.2	-60.3	-69.3	0	0	0	114.8	D776 F777 F845 Y886 V889 F890 R893 L897	D776-F779 PolarHBondContact O-N 2.71Å; F777-F779 VanDerWaalsContact O-CD2 3.3Å; F777-F779 WeakPolarHBondContact O-CD2 3.5Å; F777-F779 WeakPolarHBondContact O-CE2 3.31Å; F779-F845 HydrophobicContact CB-CD2 4.17Å; F779-F845 HydrophobicContact CB-CE2 4.34Å; F779-F845 AromaticContact CD2-CD2 3.99Å; F779-F845 HydrophobicContact CD2-CD2 3.99Å; F779-F845 HydrophobicContact CD2-CE2 4.14Å; F779-Y886 HydrophobicContact CD2-CE2 4.01Å; F779-Y886 AromaticContact CE2-CE2 3.96Å; F779-Y886 HydrophobicContact CE2-CE2 3.96Å; F779-Y886 AromaticContact CE2-CZ 3.83Å; F779-V889 HydrophobicContact CB-CG1 4.1Å; F779-V889 HydrophobicContact CD2-CG1 4.2Å; F779-V889 HydrophobicContact CG-CG1 4.08Å; F779-F890 HydrophobicContact CE2-CB 4.13Å; F779-F890 HydrophobicContact CE2-CD2 4.17Å; F779-F890 HydrophobicContact CZ-CB 4.25Å; F779-F890 AromaticContact CZ-CD2 3.88Å; F779-F890 HydrophobicContact CZ-CD2 3.88Å; F779-F890 HydrophobicContact CZ-CG 4.46Å; F779-R893 HydrophobicContact CD1-CB 3.83Å; F779-R893 HydrophobicContact CE1-CB 3.9Å; F779-R893 WeakPolarHBondContact CE1-O 3.4Å; F779-R893 PolarHBondContact O-NH1 2.72Å; F779-R893 PolarHBondContact O-NH2 3.46Å; F779-L897 HydrophobicContact CE1-CD2 4.19Å; F779-L897 HydrophobicContact CE1-CG 4.35Å; F779-L897 HydrophobicContact CZ-CD1 4.33Å; F779-L897 HydrophobicContact CZ-CD2 4.16Å; F779-L897 HydrophobicContact CZ-CG 4.36Å
780	F	89.5	Confident	84.1	Confident	7 Å²	7	55.6 Å²	55.6	3%	0.031	27%	0.272	C	S	.	.			trans	-61.1	153.6	172.6	-69.4	-77.9	0	0	0	111.8	V774 Q778 L784 F785 L841 T846 R893	V774-F780 HydrophobicContact CB-CD2 4.01Å; V774-F780 HydrophobicContact CB-CE2 4.02Å; V774-F780 HydrophobicContact CG1-CD2 3.94Å; V774-F780 HydrophobicContact CG1-CE2 3.78Å; V774-F780 HydrophobicContact CG1-CZ 4.3Å; Q778-F780 VanDerWaalsContact C-N 3.34Å; Q778-F780 HydrophobicContact CB-CD2 3.92Å; Q778-F780 HydrophobicContact CB-CE2 3.51Å; Q778-F780 HydrophobicContact CB-CZ 4.25Å; Q778-F780 HydrophobicContact CG-CE2 4.34Å; Q778-F780 PolarHBondContact O-N 3.34Å; F780-L784 HydrophobicContact CB-CD2 3.72Å; F780-L784 HydrophobicContact CD1-CD2 3.66Å; F780-L784 HydrophobicContact CD2-CD2 4.43Å; F780-L784 HydrophobicContact CE1-CD2 4.41Å; F780-L784 HydrophobicContact CG-CD2 3.68Å; F780-F785 HydrophobicContact CB-CE2 4.2Å; F780-F785 HydrophobicContact CB-CZ 4.37Å; F780-L841 WeakPolarHBondContact CE1-O 3.4Å; F780-T846 HydrophobicContact CE1-CG2 3.96Å; F780-T846 HydrophobicContact CZ-CG2 3.85Å; F780-R893 PolarHBondContact O-NH2 2.83Å
781	P	87.8	Confident	85	Confident	23 Å²	23	48.5 Å²	48.5	15%	0.149	24%	0.243	C	C	.	.			trans	-61.8	141.7	176	-22.8	33.1	0	0	0	112.3	R783 L784 L840 Q843	P781-R783 PolarHBondContact O-N 3.1Å; P781-R783 VanDerWaalsContact O-N 3.08Å; P781-L784 WeakPolarHBondContact O-CB 3.32Å; P781-L784 PolarHBondContact O-N 2.86Å; P781-L840 HydrophobicContact CB-CD2 4Å; P781-L840 HydrophobicContact CG-CD2 3.89Å; P781-Q843 HydrophobicContact CG-CB 3.96Å
782	P	84.8	Confident	85.8	Confident	87 Å²	87	47.2 Å²	47.2	57%	0.565	24%	0.237	S	C	*	.	H	α-helix	trans	-51.1	-36.3	178.5	-30.1	36	0	0	0	114	L784 F785 E786	P782-L784 PolarHBondContact O-N 3.47Å; P782-F785 WeakPolarHBondContact O-CB 3.28Å; P782-F785 PolarHBondContact O-N 3.14Å; P782-E786 PolarHBondContact O-N 3.48Å
783	R	88.9	Confident	86.5	Confident	86 Å²	86	46.3 Å²	46.3	33%	0.325	23%	0.229	S	C	.	.	H	α-helix	trans	-56.4	-32.1	177.9	-176.5	57.9	177	170.1	3.5	113.7	P781 F785 E786 L787 E836 L840	P781-R783 PolarHBondContact O-N 3.1Å; P781-R783 VanDerWaalsContact O-N 3.08Å; R783-F785 VanDerWaalsContact C-N 3.31Å; R783-F785 PolarHBondContact O-N 3.06Å; R783-E786 VanDerWaalsContact CD-OE2 3.27Å; R783-E786 WeakPolarHBondContact CD-OE2 3.34Å; R783-E786 IonicContact CZ-OE2 3.19Å; R783-E786 IonicContact NE-OE2 3.24Å; R783-E786 IonicContact NH1-OE2 2.82Å; R783-E786 PolarHBondContact NH1-OE2 3.38Å; R783-E786 WeakPolarHBondContact O-CB 3.43Å; R783-E786 PolarHBondContact O-N 2.91Å; R783-L787 PolarHBondContact O-N 2.68Å; R783-E836 VanDerWaalsContact CG-OE1 3.25Å; R783-E836 WeakPolarHBondContact CG-OE1 3.46Å; R783-E836 IonicContact CZ-OE1 3.62Å; R783-E836 IonicContact NE-OE1 2.68Å; R783-E836 PolarHBondContact NE-OE1 3.25Å; R783-E836 IonicContact NE-OE2 3.83Å; R783-E836 IonicContact NH2-OE1 3.49Å; R783-E836 IonicContact NH2-OE2 3.22Å; R783-E836 PolarHBondContact NH2-OE2 2.98Å; R783-L840 HydrophobicContact CB-CD1 3.97Å; R783-L840 HydrophobicContact CG-CD1 3.65Å
784	L	88.4	Confident	87	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-39.2	176.9	178.5	62.4	0	0	0	111.5	V774 F780 P781 P782 E786 L787 L788 K837 L840 L841	V774-L784 HydrophobicContact CG1-CD2 4.09Å; F780-L784 HydrophobicContact CB-CD2 3.72Å; F780-L784 HydrophobicContact CD1-CD2 3.66Å; F780-L784 HydrophobicContact CD2-CD2 4.43Å; F780-L784 HydrophobicContact CE1-CD2 4.41Å; F780-L784 HydrophobicContact CG-CD2 3.68Å; P781-L784 WeakPolarHBondContact O-CB 3.32Å; P781-L784 PolarHBondContact O-N 2.86Å; P782-L784 PolarHBondContact O-N 3.47Å; L784-E786 VanDerWaalsContact C-N 3.31Å; L784-E786 PolarHBondContact O-N 2.99Å; L784-L787 PolarHBondContact O-N 3.09Å; L784-L788 HydrophobicContact CD1-CD1 4.34Å; L784-L788 HydrophobicContact CD1-CG 4.29Å; L784-L788 HydrophobicContact CD2-CD1 4.48Å; L784-L788 HydrophobicContact CG-CD1 3.99Å; L784-L788 HydrophobicContact CG-CG 4.36Å; L784-L788 WeakPolarHBondContact O-CG 3.34Å; L784-L788 PolarHBondContact O-N 3.29Å; L784-K837 HydrophobicContact CD1-CG 3.97Å; L784-L840 HydrophobicContact CB-CB 4.09Å; L784-L840 HydrophobicContact CB-CD1 4.41Å; L784-L840 HydrophobicContact CD1-CB 4.08Å; L784-L841 HydrophobicContact CD1-CD2 4.09Å; L784-L841 HydrophobicContact CD1-CG 3.9Å; L784-L841 HydrophobicContact CD2-CD2 3.78Å; L784-L841 HydrophobicContact CD2-CG 4.29Å
785	F	87.2	Confident	87.2	Confident	87 Å²	87	45.7 Å²	45.7	38%	0.382	21%	0.214	S	C	.	.	H	α-helix	trans	-67.6	-34.3	-179.3	-61.8	-82.3	0	0	0	111.5	V774 F780 P782 R783 L788 E789	V774-F785 HydrophobicContact CG2-CE1 3.99Å; F780-F785 HydrophobicContact CB-CE2 4.2Å; F780-F785 HydrophobicContact CB-CZ 4.37Å; P782-F785 WeakPolarHBondContact O-CB 3.28Å; P782-F785 PolarHBondContact O-N 3.14Å; R783-F785 VanDerWaalsContact C-N 3.31Å; R783-F785 PolarHBondContact O-N 3.06Å; F785-L788 PolarHBondContact O-N 3.08Å; F785-E789 VanDerWaalsContact O-CB 3.28Å; F785-E789 WeakPolarHBondContact O-CB 3.42Å; F785-E789 PolarHBondContact O-N 2.82Å
786	E	86.6	Confident	87.2	Confident	94 Å²	94	45.4 Å²	45.4	44%	0.439	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-44.4	173	-59.6	179.7	174.3	0	0	111.7	P782 R783 L784 E789 K790	P782-E786 PolarHBondContact O-N 3.48Å; R783-E786 VanDerWaalsContact CD-OE2 3.27Å; R783-E786 WeakPolarHBondContact CD-OE2 3.34Å; R783-E786 IonicContact CZ-OE2 3.19Å; R783-E786 IonicContact NE-OE2 3.24Å; R783-E786 IonicContact NH1-OE2 2.82Å; R783-E786 PolarHBondContact NH1-OE2 3.38Å; R783-E786 WeakPolarHBondContact O-CB 3.43Å; R783-E786 PolarHBondContact O-N 2.91Å; L784-E786 VanDerWaalsContact C-N 3.31Å; L784-E786 PolarHBondContact O-N 2.99Å; E786-E789 PolarHBondContact O-N 3.3Å; E786-K790 PolarHBondContact O-N 3.43Å
787	L	88	Confident	87.2	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.1	-41.3	178.5	-62.3	177	0	0	0	111.9	R783 L784 E789 K790 E791 L829 E833 E836 K837 L840	R783-L787 PolarHBondContact O-N 2.68Å; L784-L787 PolarHBondContact O-N 3.09Å; L787-E789 VanDerWaalsContact C-N 3.31Å; L787-E789 PolarHBondContact O-N 3.27Å; L787-K790 PolarHBondContact O-N 3.04Å; L787-E791 PolarHBondContact O-N 3.41Å; L787-E791 VanDerWaalsContact O-N 3.11Å; L787-L829 HydrophobicContact CB-CD2 4.44Å; L787-L829 HydrophobicContact CD2-CD2 3.93Å; L787-E833 HydrophobicContact CD2-CB 4.06Å; L787-E833 HydrophobicContact CD2-CG 4.14Å; L787-E836 HydrophobicContact CD1-CB 4.3Å; L787-E836 HydrophobicContact CD1-CG 4.24Å; L787-K837 HydrophobicContact CB-CB 4.49Å; L787-K837 HydrophobicContact CD1-CB 3.83Å; L787-L840 HydrophobicContact CD1-CD1 3.89Å
788	L	86.6	Confident	86.9	Confident	10 Å²	10	50.8 Å²	50.8	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-35.1	174.6	-70.1	174.3	0	0	0	112	Q771 V774 L784 F785 E791 I792 K837	Q771-L788 PolarHBondContact NE2-O 3.39Å; Q771-L788 VanDerWaalsContact NE2-O 3.13Å; V774-L788 HydrophobicContact CG1-CD1 4.25Å; V774-L788 HydrophobicContact CG2-CD1 3.84Å; L784-L788 HydrophobicContact CD1-CD1 4.34Å; L784-L788 HydrophobicContact CD1-CG 4.29Å; L784-L788 HydrophobicContact CD2-CD1 4.48Å; L784-L788 HydrophobicContact CG-CD1 3.99Å; L784-L788 HydrophobicContact CG-CG 4.36Å; L784-L788 WeakPolarHBondContact O-CG 3.34Å; L784-L788 PolarHBondContact O-N 3.29Å; F785-L788 PolarHBondContact O-N 3.08Å; L788-E791 WeakPolarHBondContact O-CB 3.33Å; L788-E791 PolarHBondContact O-N 3.48Å; L788-I792 VanDerWaalsContact O-CG1 3.26Å; L788-I792 WeakPolarHBondContact O-CG1 3.5Å; L788-I792 PolarHBondContact O-N 3.23Å; L788-K837 HydrophobicContact CD2-CD 4.5Å
789	E	86.8	Confident	86.6	Confident	103 Å²	103	53.7 Å²	53.7	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-66.8	-44.7	174.8	-173.8	174.7	-168.5	0	0	111.4	F785 E786 L787 E791 I792 L793	F785-E789 VanDerWaalsContact O-CB 3.28Å; F785-E789 WeakPolarHBondContact O-CB 3.42Å; F785-E789 PolarHBondContact O-N 2.82Å; E786-E789 PolarHBondContact O-N 3.3Å; L787-E789 VanDerWaalsContact C-N 3.31Å; L787-E789 PolarHBondContact O-N 3.27Å; E789-E791 VanDerWaalsContact C-N 3.29Å; E789-E791 PolarHBondContact O-N 3.14Å; E789-I792 PolarHBondContact O-N 3.28Å; E789-I792 VanDerWaalsContact O-N 3.11Å; E789-L793 HydrophobicContact CG-CD1 4.16Å; E789-L793 HydrophobicContact CG-CG 4.41Å; E789-L793 WeakPolarHBondContact O-CG 3.06Å; E789-L793 PolarHBondContact O-N 3.05Å
790	K	86.2	Confident	86.1	Confident	84 Å²	84	56.1 Å²	56.1	37%	0.365	28%	0.28	S	S	.	.	H	α-helix	trans	-54	-46.2	172.3	-77.6	-173.2	178.1	-168.8	0	111.8	E786 L787 I792 L793 Y794 L829 E833	E786-K790 PolarHBondContact O-N 3.43Å; L787-K790 PolarHBondContact O-N 3.04Å; K790-I792 PolarHBondContact O-N 3.19Å; K790-L793 PolarHBondContact O-N 2.85Å; K790-Y794 WeakPolarHBondContact O-CB 3.12Å; K790-Y794 PolarHBondContact O-N 3.06Å; K790-L829 HydrophobicContact CB-CD2 3.88Å; K790-L829 HydrophobicContact CD-CD2 3.9Å; K790-E833 IonicContact NZ-OE1 3.35Å; K790-E833 PolarHBondContact NZ-OE1 3.45Å; K790-E833 IonicContact NZ-OE2 3.48Å
791	E	84.6	Confident	85.8	Confident	51 Å²	51	57.8 Å²	57.8	24%	0.238	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-42.5	175.5	-102.7	-179.1	-172.4	0	0	113.3	L787 L788 E789 Y795 L829 K837	L787-E791 PolarHBondContact O-N 3.41Å; L787-E791 VanDerWaalsContact O-N 3.11Å; L788-E791 WeakPolarHBondContact O-CB 3.33Å; L788-E791 PolarHBondContact O-N 3.48Å; E789-E791 VanDerWaalsContact C-N 3.29Å; E789-E791 PolarHBondContact O-N 3.14Å; E791-Y795 VanDerWaalsContact O-CB 3.32Å; E791-Y795 WeakPolarHBondContact O-CB 3.27Å; E791-Y795 PolarHBondContact O-N 3.12Å; E791-L829 HydrophobicContact CG-CD1 3.67Å; E791-L829 HydrophobicContact CG-CG 4.19Å; E791-K837 IonicContact OE1-NZ 2.8Å; E791-K837 PolarHBondContact OE1-NZ 3.37Å; E791-K837 IonicContact OE2-NZ 3.97Å; E791-K837 PolarHBondContact OE2-NZ 2.93Å
792	I	85.9	Confident	85.5	Confident	16 Å²	16	63.2 Å²	63.2	8%	0.082	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-45.8	177.8	-71.3	163.8	0	0	0	110.1	P768 L788 E789 K790 Y795 R796	P768-I792 HydrophobicContact CG-CG1 4.47Å; L788-I792 VanDerWaalsContact O-CG1 3.26Å; L788-I792 WeakPolarHBondContact O-CG1 3.5Å; L788-I792 PolarHBondContact O-N 3.23Å; E789-I792 PolarHBondContact O-N 3.28Å; E789-I792 VanDerWaalsContact O-N 3.11Å; K790-I792 PolarHBondContact O-N 3.19Å; I792-Y795 PolarHBondContact O-N 3.15Å; I792-R796 HydrophobicContact CG2-CG 4.46Å; I792-R796 VanDerWaalsContact CG2-NE 3.35Å; I792-R796 WeakPolarHBondContact O-CB 3.36Å; I792-R796 VanDerWaalsContact O-CG 3.26Å; I792-R796 WeakPolarHBondContact O-CG 3.14Å; I792-R796 PolarHBondContact O-N 3.09Å
793	L	86.5	Confident	85.3	Confident	27 Å²	27	59.4 Å²	59.4	14%	0.141	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-44	-179.5	-68.1	172.9	0	0	0	111.1	E789 K790 R796 K797 K822 I823 A826	E789-L793 HydrophobicContact CG-CD1 4.16Å; E789-L793 HydrophobicContact CG-CG 4.41Å; E789-L793 WeakPolarHBondContact O-CG 3.06Å; E789-L793 PolarHBondContact O-N 3.05Å; K790-L793 PolarHBondContact O-N 2.85Å; L793-R796 PolarHBondContact O-N 3.18Å; L793-K797 PolarHBondContact O-N 2.73Å; L793-K822 HydrophobicContact CD1-CB 4.31Å; L793-K822 HydrophobicContact CD2-CB 4.26Å; L793-I823 HydrophobicContact CD2-CG1 3.74Å; L793-A826 VanDerWaalsContact C-CB 3.48Å; L793-A826 HydrophobicContact CB-CB 3.67Å
794	Y	86.1	Confident	84.8	Confident	91 Å²	91	57.9 Å²	57.9	36%	0.357	28%	0.284	S	S	.	.	H	α-helix	trans	-63.1	-43.3	175.8	-177.4	-106.3	0	0	0	111.7	K790 R796 K797 T798 P828	K790-Y794 WeakPolarHBondContact O-CB 3.12Å; K790-Y794 PolarHBondContact O-N 3.06Å; Y794-R796 PolarHBondContact O-N 2.86Å; Y794-K797 WeakPolarHBondContact O-CB 3.21Å; Y794-K797 PolarHBondContact O-N 2.87Å; Y794-K797 VanDerWaalsContact O-N 3.16Å; Y794-T798 HydrophobicContact CD1-CG2 4.2Å; Y794-T798 HydrophobicContact CE1-CG2 3.78Å; Y794-T798 HydrophobicContact CE2-CG2 4.34Å; Y794-T798 WeakPolarHBondContact O-CG2 3.25Å; Y794-T798 PolarHBondContact O-N 2.87Å; Y794-P828 HydrophobicContact CD1-CB 4.29Å; Y794-P828 HydrophobicContact CD2-CB 4.33Å; Y794-P828 HydrophobicContact CE1-CB 3.99Å; Y794-P828 HydrophobicContact CE2-CB 4.03Å; Y794-P828 HydrophobicContact CE2-CG 4.11Å; Y794-P828 HydrophobicContact CG-CB 4.45Å
795	Y	85.2	Confident	84.1	Confident	65 Å²	65	65.2 Å²	65.2	26%	0.255	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-45.7	175.4	178.9	-107.9	0	0	0	112.1	P766 R767 P768 E791 I792 K797 T798 I799	P766-Y795 HydrophobicContact CB-CE1 4.39Å; R767-Y795 VanDerWaalsContact C-CE1 3.5Å; R767-Y795 WeakPolarHBondContact O-CE1 3.32Å; P768-Y795 HydrophobicContact CB-CD1 4.23Å; P768-Y795 HydrophobicContact CB-CD2 4.28Å; P768-Y795 HydrophobicContact CB-CG 4.01Å; P768-Y795 HydrophobicContact CG-CD1 3.97Å; P768-Y795 HydrophobicContact CG-CG 3.82Å; E791-Y795 VanDerWaalsContact O-CB 3.32Å; E791-Y795 WeakPolarHBondContact O-CB 3.27Å; E791-Y795 PolarHBondContact O-N 3.12Å; I792-Y795 PolarHBondContact O-N 3.15Å; Y795-K797 PolarHBondContact O-N 3.37Å; Y795-T798 WeakPolarHBondContact CA-OG1 3.46Å; Y795-T798 PolarHBondContact O-N 3.1Å; Y795-T798 PolarHBondContact O-OG1 3.43Å; Y795-I799 HydrophobicContact CD1-CD1 4.39Å; Y795-I799 HydrophobicContact CD2-CG2 4.44Å; Y795-I799 HydrophobicContact CE1-CD1 3.97Å; Y795-I799 HydrophobicContact CE1-CG2 4.28Å; Y795-I799 HydrophobicContact CE2-CG2 3.91Å; Y795-I799 PolarHBondContact O-N 3.06Å; Y795-I799 VanDerWaalsContact O-N 3.09Å
796	R	86.2	Confident	83.4	Confident	44 Å²	44	63.4 Å²	63.4	17%	0.166	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-38	175.3	-75.6	172.8	-176.1	174.7	5.3	112.1	P766 I792 L793 Y794 I799 G800 Y801 I823	P766-R796 PolarHBondContact O-NE 3.47Å; I792-R796 HydrophobicContact CG2-CG 4.46Å; I792-R796 VanDerWaalsContact CG2-NE 3.35Å; I792-R796 WeakPolarHBondContact O-CB 3.36Å; I792-R796 VanDerWaalsContact O-CG 3.26Å; I792-R796 WeakPolarHBondContact O-CG 3.14Å; I792-R796 PolarHBondContact O-N 3.09Å; L793-R796 PolarHBondContact O-N 3.18Å; Y794-R796 PolarHBondContact O-N 2.86Å; R796-I799 WeakPolarHBondContact O-CG1 3.49Å; R796-G800 PolarHBondContact O-N 3.29Å; R796-Y801 HydrophobicContact CB-CD1 4.25Å; R796-Y801 HydrophobicContact CG-CD1 4.09Å; R796-Y801 HydrophobicContact CG-CG 4.43Å; R796-Y801 WeakPolarHBondContact O-CB 3.49Å; R796-Y801 PolarHBondContact O-N 3.36Å; R796-I823 HydrophobicContact CB-CD1 4.39Å; R796-I823 HydrophobicContact CB-CG1 4.31Å; R796-I823 HydrophobicContact CB-CG2 3.98Å
797	K	84.4	Confident	82.8	Confident	88 Å²	88	63.7 Å²	63.7	38%	0.383	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-46.7	172.8	-175	-179.2	177.3	166.3	0	111.4	L793 Y794 Y795 I799 G800 I823 D824 A826	L793-K797 PolarHBondContact O-N 2.73Å; Y794-K797 WeakPolarHBondContact O-CB 3.21Å; Y794-K797 PolarHBondContact O-N 2.87Å; Y794-K797 VanDerWaalsContact O-N 3.16Å; Y795-K797 PolarHBondContact O-N 3.37Å; K797-I799 VanDerWaalsContact C-N 3.31Å; K797-I799 PolarHBondContact O-N 3.3Å; K797-G800 PolarHBondContact O-N 3.21Å; K797-G800 VanDerWaalsContact O-N 3.08Å; K797-I823 HydrophobicContact CB-CG2 3.97Å; K797-I823 WeakPolarHBondContact CB-O 3.37Å; K797-I823 WeakPolarHBondContact CD-O 3.28Å; K797-D824 VanDerWaalsContact CE-O 3.27Å; K797-D824 WeakPolarHBondContact CE-O 3.44Å; K797-D824 PolarHBondContact NZ-O 3.36Å; K797-A826 HydrophobicContact CD-CB 4.37Å; K797-A826 VanDerWaalsContact CD-O 3.28Å; K797-A826 WeakPolarHBondContact CD-O 3.3Å; K797-A826 PolarHBondContact NZ-O 2.95Å
798	T	83.2	Confident	82.2	Confident	82 Å²	82	70 Å²	70	50%	0.503	35%	0.35	S	S	.	.	H	α-helix	trans	-63.9	-31.1	-178.4	58.4	0	0	0	0	114.2	Y794 Y795	Y794-T798 HydrophobicContact CD1-CG2 4.2Å; Y794-T798 HydrophobicContact CE1-CG2 3.78Å; Y794-T798 HydrophobicContact CE2-CG2 4.34Å; Y794-T798 WeakPolarHBondContact O-CG2 3.25Å; Y794-T798 PolarHBondContact O-N 2.87Å; Y795-T798 WeakPolarHBondContact CA-OG1 3.46Å; Y795-T798 PolarHBondContact O-N 3.1Å; Y795-T798 PolarHBondContact O-OG1 3.43Å
799	I	84.4	Confident	81.7	Confident	79 Å²	79	72.9 Å²	72.9	41%	0.405	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	1.4	176.5	67.3	175.5	0	0	0	113.3	P766 Y795 R796 K797 Y801	P766-I799 HydrophobicContact CB-CD1 3.58Å; P766-I799 HydrophobicContact CG-CD1 3.77Å; Y795-I799 HydrophobicContact CD1-CD1 4.39Å; Y795-I799 HydrophobicContact CD2-CG2 4.44Å; Y795-I799 HydrophobicContact CE1-CD1 3.97Å; Y795-I799 HydrophobicContact CE1-CG2 4.28Å; Y795-I799 HydrophobicContact CE2-CG2 3.91Å; Y795-I799 PolarHBondContact O-N 3.06Å; Y795-I799 VanDerWaalsContact O-N 3.09Å; R796-I799 WeakPolarHBondContact O-CG1 3.49Å; K797-I799 VanDerWaalsContact C-N 3.31Å; K797-I799 PolarHBondContact O-N 3.3Å; I799-Y801 VanDerWaalsContact C-N 3.34Å; I799-Y801 PolarHBondContact O-N 3.5Å
800	G	81.2	Confident	81.2	Confident	54 Å²	54	74.4 Å²	74.4	56%	0.557	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	29.1	-178.2	0	0	0	0	0	114.4	R796 K797 K802	R796-G800 PolarHBondContact O-N 3.29Å; K797-G800 PolarHBondContact O-N 3.21Å; K797-G800 VanDerWaalsContact O-N 3.08Å; G800-K802 PolarHBondContact O-N 3.07Å
801	Y	83.4	Confident	80.8	Confident	42 Å²	42	74.8 Å²	74.8	17%	0.165	39%	0.389	C	S	.	.			trans	-63.6	131.1	-178.9	177.9	-105.4	0	0	0	111.6	A765 P766 R796 I799 V803 P804 Q820 I823	A765-Y801 HydrophobicContact CB-CE1 3.95Å; A765-Y801 HydrophobicContact CB-CE2 4.47Å; A765-Y801 WeakPolarHBondContact CB-OH 3.49Å; P766-Y801 HydrophobicContact CG-CD2 3.77Å; P766-Y801 HydrophobicContact CG-CE2 4.09Å; P766-Y801 HydrophobicContact CG-CG 4.42Å; R796-Y801 HydrophobicContact CB-CD1 4.25Å; R796-Y801 HydrophobicContact CG-CD1 4.09Å; R796-Y801 HydrophobicContact CG-CG 4.43Å; R796-Y801 WeakPolarHBondContact O-CB 3.49Å; R796-Y801 PolarHBondContact O-N 3.36Å; I799-Y801 VanDerWaalsContact C-N 3.34Å; I799-Y801 PolarHBondContact O-N 3.5Å; Y801-V803 HydrophobicContact CE1-CG2 4.21Å; Y801-P804 WeakPolarHBondContact OH-CD 3.23Å; Y801-Q820 PolarHBondContact O-NE2 3.45Å; Y801-I823 HydrophobicContact CD1-CD1 3.97Å; Y801-I823 HydrophobicContact CE1-CD1 4.4Å
802	K	81.8	Confident	80.5	Confident	137 Å²	137	73.9 Å²	73.9	60%	0.596	39%	0.388	S	S	*	.			trans	-110.3	127.2	174.4	-65.9	-61.6	-179.3	-171.8	0	110.3	G800 P804	G800-K802 PolarHBondContact O-N 3.07Å; K802-P804 WeakPolarHBondContact O-CD 3.47Å
803	V	80.3	Confident	80.2	Confident	8 Å²	8	74.9 Å²	74.9	5%	0.048	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-65.8	122.3	-177.1	179.2	0	0	0	0	109.9	Y801 Q816 E819 I823	Y801-V803 HydrophobicContact CE1-CG2 4.21Å; V803-Q816 HydrophobicContact CB-CG 4.28Å; V803-Q816 HydrophobicContact CG1-CG 4.31Å; V803-Q816 WeakPolarHBondContact O-CG 3.39Å; V803-Q816 PolarHBondContact O-NE2 3.33Å; V803-E819 HydrophobicContact CG1-CB 4.12Å; V803-E819 WeakPolarHBondContact CG1-OE2 3.34Å; V803-E819 HydrophobicContact CG2-CB 3.89Å; V803-I823 HydrophobicContact CG2-CD1 3.45Å; V803-I823 VanDerWaalsContact CG2-CD1 3.45Å
804	P	78.5	Confident	79.9	Confident	53 Å²	53	77.9 Å²	77.9	34%	0.344	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-65.6	147.4	173.4	-19	31.2	0	0	0	111.7	I762 Y801 K802 N806	I762-P804 HydrophobicContact CG2-CB 4.18Å; I762-P804 HydrophobicContact CG2-CG 4.35Å; Y801-P804 WeakPolarHBondContact OH-CD 3.23Å; K802-P804 WeakPolarHBondContact O-CD 3.47Å; P804-N806 PolarHBondContact O-N 2.97Å
805	R	72.9	Confident	79.6	Confident	155 Å²	155	74.9 Å²	74.9	59%	0.585	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-79.2	119.4	179.7	-156.4	170.1	-177.7	179.7	-3.4	109.4	P807 P812	R805-P807 WeakPolarHBondContact O-CD 3.38Å; R805-P812 HydrophobicContact CG-CB 3.79Å
806	N	73.5	Confident	79.5	Confident	48 Å²	48	74.6 Å²	74.6	26%	0.257	41%	0.409	S	S	.	.			trans	-89.9	111.3	179.8	-173.7	-6.8	0	0	0	110.7	I762 P804 D808 I809 P812	I762-N806 HydrophobicContact CD1-CB 3.95Å; P804-N806 PolarHBondContact O-N 2.97Å; N806-D808 PolarHBondContact O-N 2.96Å; N806-D808 PolarHBondContact OD1-N 3.43Å; N806-D808 VanDerWaalsContact OD1-N 3.09Å; N806-I809 HydrophobicContact CB-CD1 3.88Å; N806-I809 HydrophobicContact CB-CG1 4.14Å; N806-P812 VanDerWaalsContact O-CB 3.25Å; N806-P812 WeakPolarHBondContact O-CB 3.1Å; N806-P812 WeakPolarHBondContact O-CG 3.34Å
807	P	74	Confident	79.2	Confident	100 Å²	100	82.1 Å²	82.1	65%	0.649	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.3	-177.9	28	-33.7	0	0	0	114	R805 I809	R805-P807 WeakPolarHBondContact O-CD 3.38Å; P807-I809 VanDerWaalsContact C-N 3.32Å; P807-I809 PolarHBondContact O-N 3.34Å
808	D	74.7	Confident	79.3	Confident	133 Å²	133	83.7 Å²	83.7	71%	0.711	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-8.8	-173.9	-60.5	-28.2	0	0	0	113.9	N806	N806-D808 PolarHBondContact O-N 2.96Å; N806-D808 PolarHBondContact OD1-N 3.43Å; N806-D808 VanDerWaalsContact OD1-N 3.09Å
809	I	76.4	Confident	79.3	Confident	71 Å²	71	84.7 Å²	84.7	36%	0.364	45%	0.445	S	S	.	.	S	Bend	trans	-94.1	139.2	-177.1	-53	178.1	0	0	0	108.6	N806 P807 N811 P812 A815	N806-I809 HydrophobicContact CB-CD1 3.88Å; N806-I809 HydrophobicContact CB-CG1 4.14Å; P807-I809 VanDerWaalsContact C-N 3.32Å; P807-I809 PolarHBondContact O-N 3.34Å; I809-N811 PolarHBondContact O-N 3.45Å; I809-P812 WeakPolarHBondContact O-CD 3.24Å; I809-P812 VanDerWaalsContact O-CG 3.28Å; I809-P812 WeakPolarHBondContact O-CG 3.4Å; I809-A815 HydrophobicContact CD1-CB 4.31Å; I809-A815 HydrophobicContact CG2-CB 4.42Å
810	P	75.9	Confident	79.3	Confident	134 Å²	134	82.1 Å²	82.1	87%	0.87	43%	0.431	S	S	*	.	S	Bend	trans	-53.3	-24.3	-177.4	-27.4	32.8	0	0	0	115.2
811	N	78.5	Confident	79.5	Confident	93 Å²	93	87.3 Å²	87.3	50%	0.497	44%	0.438	S	S	.	.			trans	-139.3	73.1	-179.5	-136.5	-23.1	0	0	0	112.2	I809 A813 L814 A815	I809-N811 PolarHBondContact O-N 3.45Å; N811-A813 VanDerWaalsContact C-N 3.25Å; N811-A813 PolarHBondContact O-N 3.2Å; N811-A813 VanDerWaalsContact O-N 3.16Å; N811-L814 HydrophobicContact CB-CB 4.35Å; N811-L814 WeakPolarHBondContact ND2-CD1 3.37Å; N811-L814 PolarHBondContact O-N 3.07Å; N811-A815 PolarHBondContact O-N 3.46Å; N811-A815 VanDerWaalsContact O-N 3.16Å
812	P	77.6	Confident	79.7	Confident	32 Å²	32	91.1 Å²	91.1	21%	0.208	46%	0.456	C	S	.	.	H	α-helix	trans	-59.8	-33.7	-169.9	-25.6	35.6	0	0	0	113.9	R805 N806 I809 Q816	R805-P812 HydrophobicContact CG-CB 3.79Å; N806-P812 VanDerWaalsContact O-CB 3.25Å; N806-P812 WeakPolarHBondContact O-CB 3.1Å; N806-P812 WeakPolarHBondContact O-CG 3.34Å; I809-P812 WeakPolarHBondContact O-CD 3.24Å; I809-P812 VanDerWaalsContact O-CG 3.28Å; I809-P812 WeakPolarHBondContact O-CG 3.4Å; P812-Q816 VanDerWaalsContact O-CB 3.24Å; P812-Q816 WeakPolarHBondContact O-CB 3.21Å; P812-Q816 PolarHBondContact O-N 2.92Å; P812-Q816 VanDerWaalsContact O-N 3.07Å
813	A	79.2	Confident	79.8	Confident	36 Å²	36	84.8 Å²	84.8	30%	0.298	43%	0.428	S	S	.	.	H	α-helix	trans	-69.7	-41.7	-177.5	0	0	0	0	0	112.4	N811 R817	N811-A813 VanDerWaalsContact C-N 3.25Å; N811-A813 PolarHBondContact O-N 3.2Å; N811-A813 VanDerWaalsContact O-N 3.16Å; A813-R817 WeakPolarHBondContact O-CB 3.32Å; A813-R817 PolarHBondContact O-N 3.28Å; A813-R817 VanDerWaalsContact O-N 3.09Å
814	L	80.7	Confident	79.9	Confident	91 Å²	91	88.2 Å²	88.2	48%	0.476	45%	0.447	S	S	.	.	H	α-helix	trans	-69.6	-48.4	178.8	-97.2	160.9	0	0	0	110.3	N811 Q816 R817 E818	N811-L814 HydrophobicContact CB-CB 4.35Å; N811-L814 WeakPolarHBondContact ND2-CD1 3.37Å; N811-L814 PolarHBondContact O-N 3.07Å; L814-Q816 VanDerWaalsContact C-N 3.33Å; L814-Q816 PolarHBondContact O-N 3.08Å; L814-R817 PolarHBondContact O-N 2.81Å; L814-R817 VanDerWaalsContact O-N 3.12Å; L814-E818 WeakPolarHBondContact O-CG 3.3Å; L814-E818 PolarHBondContact O-N 2.95Å
815	A	79.7	Confident	80.3	Confident	27 Å²	27	88.4 Å²	88.4	22%	0.223	46%	0.458	C	S	.	.	H	α-helix	trans	-58	-44.4	177.9	0	0	0	0	0	112.1	I809 N811 E818 E819	I809-A815 HydrophobicContact CD1-CB 4.31Å; I809-A815 HydrophobicContact CG2-CB 4.42Å; N811-A815 PolarHBondContact O-N 3.46Å; N811-A815 VanDerWaalsContact O-N 3.16Å; A815-E818 PolarHBondContact O-N 3.32Å; A815-E819 PolarHBondContact O-N 2.91Å
816	Q	82.7	Confident	80.9	Confident	60 Å²	60	81.5 Å²	81.5	28%	0.28	43%	0.434	S	S	.	.	H	α-helix	trans	-61.6	-44.7	175.6	-172.9	-173	20.1	0	0	111.9	V803 P812 L814 Q820	V803-Q816 HydrophobicContact CB-CG 4.28Å; V803-Q816 HydrophobicContact CG1-CG 4.31Å; V803-Q816 WeakPolarHBondContact O-CG 3.39Å; V803-Q816 PolarHBondContact O-NE2 3.33Å; P812-Q816 VanDerWaalsContact O-CB 3.24Å; P812-Q816 WeakPolarHBondContact O-CB 3.21Å; P812-Q816 PolarHBondContact O-N 2.92Å; P812-Q816 VanDerWaalsContact O-N 3.07Å; L814-Q816 VanDerWaalsContact C-N 3.33Å; L814-Q816 PolarHBondContact O-N 3.08Å; Q816-Q820 WeakPolarHBondContact O-CB 3.36Å; Q816-Q820 PolarHBondContact O-N 2.96Å
817	R	81	Confident	81.5	Confident	201 Å²	201	86.3 Å²	86.3	76%	0.758	46%	0.455	S	S	*	.	H	α-helix	trans	-64.1	-40.8	177.5	-92.6	-176.2	173.6	164.1	-1	112.3	A813 L814 K821	A813-R817 WeakPolarHBondContact O-CB 3.32Å; A813-R817 PolarHBondContact O-N 3.28Å; A813-R817 VanDerWaalsContact O-N 3.09Å; L814-R817 PolarHBondContact O-N 2.81Å; L814-R817 VanDerWaalsContact O-N 3.12Å; R817-K821 VanDerWaalsContact O-CB 3.27Å; R817-K821 WeakPolarHBondContact O-CB 3.49Å; R817-K821 PolarHBondContact O-N 3.16Å
818	E	85.7	Confident	82.1	Confident	121 Å²	121	85.1 Å²	85.1	57%	0.565	45%	0.447	S	S	*	.	H	α-helix	trans	-67.5	-45.8	179.9	-73.9	180	169.2	0	0	111.9	L814 A815 K821 K822	L814-E818 WeakPolarHBondContact O-CG 3.3Å; L814-E818 PolarHBondContact O-N 2.95Å; A815-E818 PolarHBondContact O-N 3.32Å; E818-K821 PolarHBondContact O-N 3.03Å; E818-K822 WeakPolarHBondContact O-CG 3.29Å; E818-K822 PolarHBondContact O-N 3.48Å
819	E	82.9	Confident	82.5	Confident	104 Å²	104	80 Å²	80	49%	0.486	42%	0.42	S	S	.	.	H	α-helix	trans	-65.3	-40.5	174.7	-75.3	-164	158.3	0	0	112	V803 A815 K821 K822 I823	V803-E819 HydrophobicContact CG1-CB 4.12Å; V803-E819 WeakPolarHBondContact CG1-OE2 3.34Å; V803-E819 HydrophobicContact CG2-CB 3.89Å; A815-E819 PolarHBondContact O-N 2.91Å; E819-K821 VanDerWaalsContact C-N 3.3Å; E819-K821 PolarHBondContact O-N 3.48Å; E819-K822 WeakPolarHBondContact O-CB 3.35Å; E819-K822 PolarHBondContact O-N 3.5Å; E819-I823 WeakPolarHBondContact O-CG1 3.49Å; E819-I823 PolarHBondContact O-N 3.4Å; E819-I823 VanDerWaalsContact O-N 3.11Å
820	Q	84.3	Confident	83.1	Confident	24 Å²	24	79.5 Å²	79.5	11%	0.112	42%	0.42	C	S	.	.	H	α-helix	trans	-63.5	-39.1	176	-168.6	64.4	51.2	0	0	111.1	Y801 Q816 K822 I823 D824	Y801-Q820 PolarHBondContact O-NE2 3.45Å; Q816-Q820 WeakPolarHBondContact O-CB 3.36Å; Q816-Q820 PolarHBondContact O-N 2.96Å; Q820-K822 VanDerWaalsContact C-N 3.33Å; Q820-K822 PolarHBondContact O-N 3.34Å; Q820-I823 PolarHBondContact O-N 3.39Å; Q820-D824 PolarHBondContact NE2-OD1 3.47Å; Q820-D824 WeakPolarHBondContact O-CB 3.45Å; Q820-D824 PolarHBondContact O-N 3.47Å
821	K	86.3	Confident	83.6	Confident	163 Å²	163	78.5 Å²	78.5	71%	0.709	41%	0.414	S	S	*	.	H	α-helix	trans	-62.9	-37.6	175.5	-170.5	-179.6	-179.9	-174.6	0	112.1	R817 E818 E819 G825	R817-K821 VanDerWaalsContact O-CB 3.27Å; R817-K821 WeakPolarHBondContact O-CB 3.49Å; R817-K821 PolarHBondContact O-N 3.16Å; E818-K821 PolarHBondContact O-N 3.03Å; E819-K821 VanDerWaalsContact C-N 3.3Å; E819-K821 PolarHBondContact O-N 3.48Å; K821-G825 PolarHBondContact O-N 2.87Å
822	K	86.6	Confident	84	Confident	123 Å²	123	81.5 Å²	81.5	54%	0.535	43%	0.425	S	S	.	.	H	α-helix	trans	-62.7	-40.7	173.3	-70.6	-179.9	-179.3	-175.3	0	112	L793 E818 E819 Q820 A826	L793-K822 HydrophobicContact CD1-CB 4.31Å; L793-K822 HydrophobicContact CD2-CB 4.26Å; E818-K822 WeakPolarHBondContact O-CG 3.29Å; E818-K822 PolarHBondContact O-N 3.48Å; E819-K822 WeakPolarHBondContact O-CB 3.35Å; E819-K822 PolarHBondContact O-N 3.5Å; Q820-K822 VanDerWaalsContact C-N 3.33Å; Q820-K822 PolarHBondContact O-N 3.34Å; K822-A826 PolarHBondContact O-N 3.02Å
823	I	84.1	Confident	84.6	Confident	3 Å²	3	81.3 Å²	81.3	2%	0.015	42%	0.421	C	S	.	.	H	α-helix	trans	-69.4	-47.7	177.1	-64.5	163.5	0	0	0	110.4	L793 R796 K797 Y801 V803 E819 Q820 G825 A826	L793-I823 HydrophobicContact CD2-CG1 3.74Å; R796-I823 HydrophobicContact CB-CD1 4.39Å; R796-I823 HydrophobicContact CB-CG1 4.31Å; R796-I823 HydrophobicContact CB-CG2 3.98Å; K797-I823 HydrophobicContact CB-CG2 3.97Å; K797-I823 WeakPolarHBondContact CB-O 3.37Å; K797-I823 WeakPolarHBondContact CD-O 3.28Å; Y801-I823 HydrophobicContact CD1-CD1 3.97Å; Y801-I823 HydrophobicContact CE1-CD1 4.4Å; V803-I823 HydrophobicContact CG2-CD1 3.45Å; V803-I823 VanDerWaalsContact CG2-CD1 3.45Å; E819-I823 WeakPolarHBondContact O-CG1 3.49Å; E819-I823 PolarHBondContact O-N 3.4Å; E819-I823 VanDerWaalsContact O-N 3.11Å; Q820-I823 PolarHBondContact O-N 3.39Å; I823-G825 VanDerWaalsContact C-N 3.28Å; I823-G825 PolarHBondContact O-N 2.91Å; I823-A826 WeakPolarHBondContact O-CB 3.26Å; I823-A826 PolarHBondContact O-N 3.21Å; I823-A826 VanDerWaalsContact O-N 3.08Å
824	D	83.7	Confident	85	Confident	81 Å²	81	82.3 Å²	82.3	43%	0.433	42%	0.423	S	S	.	.	H	α-helix	trans	-64.4	-35.6	-176.8	-64.9	-13.8	0	0	0	111.3	K797 Q820 A826	K797-D824 VanDerWaalsContact CE-O 3.27Å; K797-D824 WeakPolarHBondContact CE-O 3.44Å; K797-D824 PolarHBondContact NZ-O 3.36Å; Q820-D824 PolarHBondContact NE2-OD1 3.47Å; Q820-D824 WeakPolarHBondContact O-CB 3.45Å; Q820-D824 PolarHBondContact O-N 3.47Å; D824-A826 VanDerWaalsContact C-N 3.32Å; D824-A826 PolarHBondContact O-N 2.99Å
825	G	85.6	Confident	85.3	Confident	57 Å²	57	83 Å²	83	59%	0.588	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	1.8	174.7	0	0	0	0	0	115.5	K821 I823	K821-G825 PolarHBondContact O-N 2.87Å; I823-G825 VanDerWaalsContact C-N 3.28Å; I823-G825 PolarHBondContact O-N 2.91Å
826	A	85	Confident	85.8	Confident	9 Å²	9	84.9 Å²	84.9	7%	0.074	43%	0.428	C	S	.	.			trans	-72	135.8	-177.1	0	0	0	0	0	112.3	L793 K797 K822 I823 D824	L793-A826 VanDerWaalsContact C-CB 3.48Å; L793-A826 HydrophobicContact CB-CB 3.67Å; K797-A826 HydrophobicContact CD-CB 4.37Å; K797-A826 VanDerWaalsContact CD-O 3.28Å; K797-A826 WeakPolarHBondContact CD-O 3.3Å; K797-A826 PolarHBondContact NZ-O 2.95Å; K822-A826 PolarHBondContact O-N 3.02Å; I823-A826 WeakPolarHBondContact O-CB 3.26Å; I823-A826 PolarHBondContact O-N 3.21Å; I823-A826 VanDerWaalsContact O-N 3.08Å; D824-A826 VanDerWaalsContact C-N 3.32Å; D824-A826 PolarHBondContact O-N 2.99Å
827	E	86.8	Confident	86.1	Confident	150 Å²	150	83.1 Å²	83.1	70%	0.701	42%	0.42	S	S	*	.			trans	-116.9	152.9	177.9	-69.8	-173.6	170.1	0	0	110.2
828	P	87	Confident	86.4	Confident	74 Å²	74	80.1 Å²	80.1	48%	0.481	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-65.4	149.9	174.3	28.3	-31.8	0	0	0	110.3	Y794 T830	Y794-P828 HydrophobicContact CD1-CB 4.29Å; Y794-P828 HydrophobicContact CD2-CB 4.33Å; Y794-P828 HydrophobicContact CE1-CB 3.99Å; Y794-P828 HydrophobicContact CE2-CB 4.03Å; Y794-P828 HydrophobicContact CE2-CG 4.11Å; Y794-P828 HydrophobicContact CG-CB 4.45Å; P828-T830 PolarHBondContact O-N 3.48Å
829	L	83.9	Confident	86.6	Confident	26 Å²	26	79.9 Å²	79.9	14%	0.136	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-58.3	137.8	173.7	-68.7	177.1	0	0	0	110.1	L787 K790 E791 E833 K837	L787-L829 HydrophobicContact CB-CD2 4.44Å; L787-L829 HydrophobicContact CD2-CD2 3.93Å; K790-L829 HydrophobicContact CB-CD2 3.88Å; K790-L829 HydrophobicContact CD-CD2 3.9Å; E791-L829 HydrophobicContact CG-CD1 3.67Å; E791-L829 HydrophobicContact CG-CG 4.19Å; L829-E833 WeakPolarHBondContact CA-OE2 3.32Å; L829-E833 HydrophobicContact CB-CB 4.21Å; L829-E833 HydrophobicContact CD2-CB 4.06Å; L829-E833 WeakPolarHBondContact CD2-OE2 3.34Å; L829-K837 HydrophobicContact CD1-CD 4.16Å
830	T	88.4	Confident	86.9	Confident	61 Å²	61	75.6 Å²	75.6	37%	0.374	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-67.7	160.7	172.5	69.7	0	0	0	0	110.3	P828 E832 E833 T834	P828-T830 PolarHBondContact O-N 3.48Å; T830-E832 PolarHBondContact O-N 3.16Å; T830-E833 PolarHBondContact N-OE2 2.89Å; T830-E833 VanDerWaalsContact N-OE2 3.11Å; T830-E833 PolarHBondContact O-N 3Å; T830-E833 VanDerWaalsContact O-N 3.16Å; T830-E833 VanDerWaalsContact OG1-CG 3.31Å; T830-E833 WeakPolarHBondContact OG1-CG 3.42Å; T830-E833 PolarHBondContact OG1-N 2.86Å; T830-E833 VanDerWaalsContact OG1-N 3.13Å; T830-T834 PolarHBondContact O-N 3.48Å; T830-T834 PolarHBondContact O-OG1 2.9Å
831	P	85.8	Confident	87	Confident	113 Å²	113	76.3 Å²	76.3	73%	0.734	40%	0.396	S	S	*	.	H	α-helix	trans	-54.8	-38.4	174.4	-25.5	34.6	0	0	0	112.5	T834 E835	P831-T834 PolarHBondContact O-N 3.27Å; P831-E835 PolarHBondContact O-N 3.4Å
832	E	87.8	Confident	87	Confident	156 Å²	156	73.7 Å²	73.7	73%	0.729	39%	0.394	S	S	*	.	H	α-helix	trans	-64.9	-45.7	176.5	-63.1	175.3	178.3	0	0	111.9	T830 T834 E835 E836	T830-E832 PolarHBondContact O-N 3.16Å; E832-T834 VanDerWaalsContact C-N 3.26Å; E832-T834 PolarHBondContact O-N 3Å; E832-E835 PolarHBondContact O-N 3.02Å; E832-E836 WeakPolarHBondContact O-CB 3.22Å; E832-E836 PolarHBondContact O-N 3Å
833	E	89.7	Confident	87.1	Confident	27 Å²	27	73.6 Å²	73.6	13%	0.126	40%	0.395	C	S	.	.	H	α-helix	trans	-66.1	-30.1	176.1	-73.1	-180	145	0	0	112.3	L787 K790 L829 T830 K837	L787-E833 HydrophobicContact CD2-CB 4.06Å; L787-E833 HydrophobicContact CD2-CG 4.14Å; K790-E833 IonicContact NZ-OE1 3.35Å; K790-E833 PolarHBondContact NZ-OE1 3.45Å; K790-E833 IonicContact NZ-OE2 3.48Å; L829-E833 WeakPolarHBondContact CA-OE2 3.32Å; L829-E833 HydrophobicContact CB-CB 4.21Å; L829-E833 HydrophobicContact CD2-CB 4.06Å; L829-E833 WeakPolarHBondContact CD2-OE2 3.34Å; T830-E833 PolarHBondContact N-OE2 2.89Å; T830-E833 VanDerWaalsContact N-OE2 3.11Å; T830-E833 PolarHBondContact O-N 3Å; T830-E833 VanDerWaalsContact O-N 3.16Å; T830-E833 VanDerWaalsContact OG1-CG 3.31Å; T830-E833 WeakPolarHBondContact OG1-CG 3.42Å; T830-E833 PolarHBondContact OG1-N 2.86Å; T830-E833 VanDerWaalsContact OG1-N 3.13Å; E833-K837 VanDerWaalsContact O-CB 3.32Å; E833-K837 WeakPolarHBondContact O-CB 3.38Å; E833-K837 PolarHBondContact O-N 3.21Å
834	T	86.9	Confident	87.2	Confident	58 Å²	58	74 Å²	74	36%	0.356	40%	0.4	S	S	.	.	H	α-helix	trans	-69.4	-43	176.3	-48.8	0	0	0	0	110.4	T830 P831 E832 K837 E838	T830-T834 PolarHBondContact O-N 3.48Å; T830-T834 PolarHBondContact O-OG1 2.9Å; P831-T834 PolarHBondContact O-N 3.27Å; E832-T834 VanDerWaalsContact C-N 3.26Å; E832-T834 PolarHBondContact O-N 3Å; T834-K837 WeakPolarHBondContact O-CB 3.48Å; T834-K837 PolarHBondContact O-N 3.05Å; T834-E838 PolarHBondContact O-N 3.35Å; T834-E838 VanDerWaalsContact O-N 3.07Å
835	E	87.6	Confident	87.5	Confident	106 Å²	106	71.3 Å²	71.3	50%	0.495	38%	0.384	S	S	.	.	H	α-helix	trans	-66.4	-39.9	173.4	-163.3	-170.1	152.1	0	0	111.7	P831 E832 K837 E838 K839	P831-E835 PolarHBondContact O-N 3.4Å; E832-E835 PolarHBondContact O-N 3.02Å; E835-K837 VanDerWaalsContact C-N 3.35Å; E835-K837 PolarHBondContact O-N 2.92Å; E835-E838 PolarHBondContact O-N 3.06Å; E835-K839 WeakPolarHBondContact O-CG 3.44Å; E835-K839 PolarHBondContact O-N 3.35Å; E835-K839 VanDerWaalsContact OE1-CE 3.27Å; E835-K839 WeakPolarHBondContact OE1-CE 3.19Å; E835-K839 IonicContact OE1-NZ 3.87Å; E835-K839 PolarHBondContact OE1-NZ 3.07Å
836	E	90.8	Very high	87.5	Confident	66 Å²	66	72.7 Å²	72.7	31%	0.308	38%	0.381	S	S	.	.	H	α-helix	trans	-58.7	-46.5	173.7	-169.6	-170.3	170.9	0	0	110.6	R783 L787 E832 E838 K839 L840	R783-E836 VanDerWaalsContact CG-OE1 3.25Å; R783-E836 WeakPolarHBondContact CG-OE1 3.46Å; R783-E836 IonicContact CZ-OE1 3.62Å; R783-E836 IonicContact NE-OE1 2.68Å; R783-E836 PolarHBondContact NE-OE1 3.25Å; R783-E836 IonicContact NE-OE2 3.83Å; R783-E836 IonicContact NH2-OE1 3.49Å; R783-E836 IonicContact NH2-OE2 3.22Å; R783-E836 PolarHBondContact NH2-OE2 2.98Å; L787-E836 HydrophobicContact CD1-CB 4.3Å; L787-E836 HydrophobicContact CD1-CG 4.24Å; E832-E836 WeakPolarHBondContact O-CB 3.22Å; E832-E836 PolarHBondContact O-N 3Å; E836-E838 PolarHBondContact O-N 3.08Å; E836-K839 PolarHBondContact O-N 3.5Å; E836-L840 HydrophobicContact CG-CD1 3.95Å; E836-L840 HydrophobicContact CG-CG 4.4Å; E836-L840 VanDerWaalsContact O-CG 3.27Å; E836-L840 WeakPolarHBondContact O-CG 3.2Å; E836-L840 PolarHBondContact O-N 3.5Å
837	K	88	Confident	87.6	Confident	23 Å²	23	75.5 Å²	75.5	10%	0.1	40%	0.395	C	S	.	.	H	α-helix	trans	-58.3	-46.5	176	176.7	-175	156.4	-175.4	0	111.7	L784 L787 L788 E791 L829 E833 T834 E835 K839 L840 L841	L784-K837 HydrophobicContact CD1-CG 3.97Å; L787-K837 HydrophobicContact CB-CB 4.49Å; L787-K837 HydrophobicContact CD1-CB 3.83Å; L788-K837 HydrophobicContact CD2-CD 4.5Å; E791-K837 IonicContact OE1-NZ 2.8Å; E791-K837 PolarHBondContact OE1-NZ 3.37Å; E791-K837 IonicContact OE2-NZ 3.97Å; E791-K837 PolarHBondContact OE2-NZ 2.93Å; L829-K837 HydrophobicContact CD1-CD 4.16Å; E833-K837 VanDerWaalsContact O-CB 3.32Å; E833-K837 WeakPolarHBondContact O-CB 3.38Å; E833-K837 PolarHBondContact O-N 3.21Å; T834-K837 WeakPolarHBondContact O-CB 3.48Å; T834-K837 PolarHBondContact O-N 3.05Å; E835-K837 VanDerWaalsContact C-N 3.35Å; E835-K837 PolarHBondContact O-N 2.92Å; K837-K839 VanDerWaalsContact C-N 3.31Å; K837-K839 PolarHBondContact O-N 3.39Å; K837-L840 PolarHBondContact O-N 3.41Å; K837-L841 HydrophobicContact CG-CD1 4.18Å; K837-L841 WeakPolarHBondContact O-CG 3.47Å; K837-L841 PolarHBondContact O-N 2.8Å
838	E	87.6	Confident	87.8	Confident	137 Å²	137	68.4 Å²	68.4	64%	0.64	36%	0.362	S	S	*	.	H	α-helix	trans	-62.9	-38	178.1	-71.4	-162	164.4	0	0	112	T834 E835 E836	T834-E838 PolarHBondContact O-N 3.35Å; T834-E838 VanDerWaalsContact O-N 3.07Å; E835-E838 PolarHBondContact O-N 3.06Å; E836-E838 PolarHBondContact O-N 3.08Å
839	K	89.3	Confident	87.9	Confident	117 Å²	117	68.2 Å²	68.2	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-67.4	-39.5	173.3	-73.3	175.8	-174.7	162.7	0	112.9	E835 E836 K837 L841 T842	E835-K839 WeakPolarHBondContact O-CG 3.44Å; E835-K839 PolarHBondContact O-N 3.35Å; E835-K839 VanDerWaalsContact OE1-CE 3.27Å; E835-K839 WeakPolarHBondContact OE1-CE 3.19Å; E835-K839 IonicContact OE1-NZ 3.87Å; E835-K839 PolarHBondContact OE1-NZ 3.07Å; E836-K839 PolarHBondContact O-N 3.5Å; K837-K839 VanDerWaalsContact C-N 3.31Å; K837-K839 PolarHBondContact O-N 3.39Å; K839-L841 VanDerWaalsContact C-N 3.3Å; K839-L841 PolarHBondContact O-N 3.08Å; K839-T842 PolarHBondContact O-N 2.83Å; K839-T842 PolarHBondContact O-OG1 3.04Å
840	L	89.2	Confident	88	Confident	14 Å²	14	72.9 Å²	72.9	7%	0.073	38%	0.379	C	S	.	.	H	α-helix	trans	-70.9	-28.5	179.7	-69.2	169.7	0	0	0	112.4	P781 R783 L784 L787 E836 K837 T842 Q843	P781-L840 HydrophobicContact CB-CD2 4Å; P781-L840 HydrophobicContact CG-CD2 3.89Å; R783-L840 HydrophobicContact CB-CD1 3.97Å; R783-L840 HydrophobicContact CG-CD1 3.65Å; L784-L840 HydrophobicContact CB-CB 4.09Å; L784-L840 HydrophobicContact CB-CD1 4.41Å; L784-L840 HydrophobicContact CD1-CB 4.08Å; L787-L840 HydrophobicContact CD1-CD1 3.89Å; E836-L840 HydrophobicContact CG-CD1 3.95Å; E836-L840 HydrophobicContact CG-CG 4.4Å; E836-L840 VanDerWaalsContact O-CG 3.27Å; E836-L840 WeakPolarHBondContact O-CG 3.2Å; E836-L840 PolarHBondContact O-N 3.5Å; K837-L840 PolarHBondContact O-N 3.41Å; L840-T842 PolarHBondContact O-N 3.06Å; L840-Q843 PolarHBondContact O-N 3.03Å
841	L	87.1	Confident	88	Confident	39 Å²	39	77.3 Å²	77.3	20%	0.204	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.9	174.1	-77.7	166.6	0	0	0	113.6	P772 V774 F780 L784 K837 K839 T846	P772-L841 HydrophobicContact CB-CD2 3.86Å; P772-L841 HydrophobicContact CG-CD1 3.85Å; P772-L841 HydrophobicContact CG-CD2 3.9Å; V774-L841 HydrophobicContact CG1-CD2 4.18Å; F780-L841 WeakPolarHBondContact CE1-O 3.4Å; L784-L841 HydrophobicContact CD1-CD2 4.09Å; L784-L841 HydrophobicContact CD1-CG 3.9Å; L784-L841 HydrophobicContact CD2-CD2 3.78Å; L784-L841 HydrophobicContact CD2-CG 4.29Å; K837-L841 HydrophobicContact CG-CD1 4.18Å; K837-L841 WeakPolarHBondContact O-CG 3.47Å; K837-L841 PolarHBondContact O-N 2.8Å; K839-L841 VanDerWaalsContact C-N 3.3Å; K839-L841 PolarHBondContact O-N 3.08Å; L841-T846 WeakPolarHBondContact O-CG2 3.5Å
842	T	86	Confident	88.2	Confident	108 Å²	108	72.7 Å²	72.7	66%	0.663	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-11.7	175.7	66.1	0	0	0	0	113.4	K839 L840	K839-T842 PolarHBondContact O-N 2.83Å; K839-T842 PolarHBondContact O-OG1 3.04Å; L840-T842 PolarHBondContact O-N 3.06Å
843	Q	87.9	Confident	88.5	Confident	121 Å²	121	66 Å²	66	57%	0.565	33%	0.326	S	S	*	.	S	Bend	trans	-87.4	-7.5	-175.1	-66.2	-179.4	15.3	0	0	114.5	P781 L840	P781-Q843 HydrophobicContact CG-CB 3.96Å; L840-Q843 PolarHBondContact O-N 3.03Å
844	G	87.6	Confident	88.6	Confident	10 Å²	10	68.4 Å²	68.4	10%	0.103	34%	0.34	C	S	.	.	S	Bend	trans	-91.1	169	173.6	0	0	0	0	0	112.6	Q778 T846	Q778-G844 CarbonylContact O-C 3.49Å; Q778-G844 WeakPolarHBondContact O-CA 3.33Å; G844-T846 PolarHBondContact O-N 2.91Å
845	F	90.3	Very high	88.8	Confident	26 Å²	26	67.3 Å²	67.3	11%	0.114	33%	0.331	C	S	.	.			trans	-73.4	66.2	173.1	-67.7	-76	0	0	0	111.5	Q778 F779 N847 W848 E885 Y886 V889	Q778-F845 PolarHBondContact NE2-O 2.98Å; Q778-F845 PolarHBondContact O-N 3.33Å; F779-F845 HydrophobicContact CB-CD2 4.17Å; F779-F845 HydrophobicContact CB-CE2 4.34Å; F779-F845 AromaticContact CD2-CD2 3.99Å; F779-F845 HydrophobicContact CD2-CD2 3.99Å; F779-F845 HydrophobicContact CD2-CE2 4.14Å; F845-N847 PolarHBondContact O-N 3.33Å; F845-W848 HydrophobicContact CB-CB 4.05Å; F845-W848 HydrophobicContact CB-CG 4.01Å; F845-W848 AromaticContact CD1-CD1 3.84Å; F845-W848 AromaticContact CD1-NE1 3.93Å; F845-W848 WeakPolarHBondContact O-CB 3.48Å; F845-W848 PolarHBondContact O-N 2.85Å; F845-E885 HydrophobicContact CE1-CG 4.23Å; F845-E885 HydrophobicContact CZ-CG 4.38Å; F845-Y886 HydrophobicContact CB-CD2 4.21Å; F845-Y886 HydrophobicContact CB-CE2 4.22Å; F845-Y886 AromaticContact CD1-CD2 3.83Å; F845-Y886 HydrophobicContact CD1-CD2 3.83Å; F845-Y886 AromaticContact CD2-CD2 3.7Å; F845-Y886 HydrophobicContact CD2-CD2 3.7Å; F845-Y886 AromaticContact CD2-CE2 3.9Å; F845-Y886 HydrophobicContact CD2-CE2 3.9Å; F845-Y886 HydrophobicContact CE1-CD2 4.05Å; F845-Y886 AromaticContact CE2-CD2 3.92Å; F845-Y886 HydrophobicContact CE2-CD2 3.92Å; F845-Y886 HydrophobicContact CE2-CE2 4.4Å; F845-Y886 AromaticContact CG-CD2 3.64Å; F845-Y886 HydrophobicContact CG-CD2 3.64Å; F845-Y886 HydrophobicContact CG-CE2 4.01Å; F845-Y886 HydrophobicContact CZ-CD2 4.09Å; F845-V889 HydrophobicContact CE2-CB 3.78Å; F845-V889 HydrophobicContact CE2-CG1 3.81Å; F845-V889 HydrophobicContact CE2-CG2 4.02Å; F845-V889 HydrophobicContact CZ-CB 3.95Å; F845-V889 HydrophobicContact CZ-CG1 4.43Å; F845-V889 HydrophobicContact CZ-CG2 3.79Å
846	T	85.2	Confident	89.2	Confident	85 Å²	85	62.2 Å²	62.2	52%	0.521	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.4	-176.1	53.9	0	0	0	0	113.2	F780 L841 G844 W848	F780-T846 HydrophobicContact CE1-CG2 3.96Å; F780-T846 HydrophobicContact CZ-CG2 3.85Å; L841-T846 WeakPolarHBondContact O-CG2 3.5Å; G844-T846 PolarHBondContact O-N 2.91Å; T846-W848 VanDerWaalsContact C-N 3.3Å
847	N	86.7	Confident	89.2	Confident	68 Å²	68	59.4 Å²	59.4	36%	0.364	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-11.8	174.9	65.5	-28.3	0	0	0	112.8	F845 K878 E882	F845-N847 PolarHBondContact O-N 3.33Å; N847-K878 VanDerWaalsContact C-NZ 3.32Å; N847-K878 PolarHBondContact ND2-NZ 2.95Å; N847-K878 PolarHBondContact O-NZ 3.46Å; N847-E882 PolarHBondContact ND2-OE1 3.39Å
848	W	90.4	Very high	89.4	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.008	32%	0.317	C	S	.	.			trans	-87.2	122.1	177.7	-78	72.2	0	0	0	111.2	Q778 F845 T846 D852 F856 V875 K878 V883 Y886	Q778-W848 PolarHBondContact NE2-O 2.94Å; F845-W848 HydrophobicContact CB-CB 4.05Å; F845-W848 HydrophobicContact CB-CG 4.01Å; F845-W848 AromaticContact CD1-CD1 3.84Å; F845-W848 AromaticContact CD1-NE1 3.93Å; F845-W848 WeakPolarHBondContact O-CB 3.48Å; F845-W848 PolarHBondContact O-N 2.85Å; T846-W848 VanDerWaalsContact C-N 3.3Å; W848-D852 HydrophobicContact CE3-CB 3.87Å; W848-D852 HydrophobicContact CZ3-CB 4.26Å; W848-F856 HydrophobicContact CH2-CB 4.48Å; W848-F856 HydrophobicContact CH2-CD2 4.33Å; W848-F856 HydrophobicContact CZ3-CB 3.98Å; W848-F856 HydrophobicContact CZ3-CG 4.33Å; W848-V875 HydrophobicContact CH2-CG1 4.32Å; W848-V875 HydrophobicContact CZ3-CG1 4.44Å; W848-K878 HydrophobicContact CH2-CG 4.49Å; W848-K878 HydrophobicContact CZ2-CD 4.4Å; W848-K878 HydrophobicContact CZ2-CG 4.17Å; W848-V883 HydrophobicContact CH2-CG2 4.34Å; W848-V883 HydrophobicContact CZ2-CG2 4.4Å; W848-Y886 HydrophobicContact CB-CE2 4.46Å; W848-Y886 AromaticContact CD1-CD2 3.99Å; W848-Y886 HydrophobicContact CD2-CD1 4.24Å; W848-Y886 AromaticContact CD2-CD2 3.55Å; W848-Y886 HydrophobicContact CD2-CD2 3.55Å; W848-Y886 HydrophobicContact CD2-CE1 4.4Å; W848-Y886 AromaticContact CD2-CE2 3.75Å; W848-Y886 HydrophobicContact CD2-CE2 3.75Å; W848-Y886 AromaticContact CD2-CG 3.81Å; W848-Y886 HydrophobicContact CD2-CG 3.81Å; W848-Y886 AromaticContact CE2-CD2 3.47Å; W848-Y886 VanDerWaalsContact CE2-CD2 3.47Å; W848-Y886 AromaticContact CE2-CG 3.43Å; W848-Y886 VanDerWaalsContact CE2-CG 3.43Å; W848-Y886 AromaticContact CE3-CD1 3.93Å; W848-Y886 HydrophobicContact CE3-CD1 3.93Å; W848-Y886 AromaticContact CE3-CD2 3.99Å; W848-Y886 HydrophobicContact CE3-CD2 3.99Å; W848-Y886 AromaticContact CE3-CE1 3.84Å; W848-Y886 HydrophobicContact CE3-CE1 3.84Å; W848-Y886 AromaticContact CE3-CE2 3.91Å; W848-Y886 HydrophobicContact CE3-CE2 3.91Å; W848-Y886 AromaticContact CE3-CG 4Å; W848-Y886 HydrophobicContact CE3-CG 4Å; W848-Y886 AromaticContact CE3-CZ 3.83Å; W848-Y886 AromaticContact CG-CD2 3.93Å; W848-Y886 HydrophobicContact CG-CD2 3.93Å; W848-Y886 AromaticContact CG-CE2 3.99Å; W848-Y886 HydrophobicContact CG-CE2 3.99Å; W848-Y886 AromaticContact CH2-CD1 3.38Å; W848-Y886 HydrophobicContact CH2-CD1 3.38Å; W848-Y886 HydrophobicContact CH2-CD2 4.29Å; W848-Y886 HydrophobicContact CH2-CE1 4.04Å; W848-Y886 AromaticContact CH2-CG 3.52Å; W848-Y886 HydrophobicContact CH2-CG 3.52Å; W848-Y886 AromaticContact CZ2-CD1 3.73Å; W848-Y886 HydrophobicContact CZ2-CD1 3.73Å; W848-Y886 AromaticContact CZ2-CD2 3.9Å; W848-Y886 HydrophobicContact CZ2-CD2 3.9Å; W848-Y886 AromaticContact CZ2-CG 3.31Å; W848-Y886 HydrophobicContact CZ2-CG 3.31Å; W848-Y886 AromaticContact CZ3-CD1 3.49Å; W848-Y886 HydrophobicContact CZ3-CD1 3.49Å; W848-Y886 VanDerWaalsContact CZ3-CD1 3.49Å; W848-Y886 HydrophobicContact CZ3-CD2 4.33Å; W848-Y886 AromaticContact CZ3-CE1 3.64Å; W848-Y886 HydrophobicContact CZ3-CE1 3.64Å; W848-Y886 HydrophobicContact CZ3-CE2 4.45Å; W848-Y886 AromaticContact CZ3-CG 3.86Å; W848-Y886 HydrophobicContact CZ3-CG 3.86Å; W848-Y886 AromaticContact NE1-CD2 3.72Å; W848-Y886 AromaticContact NE1-CG 4Å
849	T	89.1	Confident	89.6	Confident	69 Å²	69	58.3 Å²	58.3	42%	0.423	29%	0.287	S	S	.	.			trans	-96.5	167.4	175	74.8	0	0	0	0	111.3	R851 D852 F853	T849-R851 PolarHBondContact O-N 3.42Å; T849-R851 PolarHBondContact OG1-N 3.38Å; T849-D852 WeakPolarHBondContact CB-OD2 3.43Å; T849-D852 PolarHBondContact N-OD2 3.4Å; T849-D852 PolarHBondContact O-N 2.96Å; T849-D852 VanDerWaalsContact O-N 3.15Å; T849-D852 PolarHBondContact OG1-N 3.41Å; T849-D852 PolarHBondContact OG1-OD1 3.09Å; T849-D852 PolarHBondContact OG1-OD2 2.87Å; T849-F853 PolarHBondContact O-N 3.16Å
850	K	86.6	Confident	89.7	Confident	124 Å²	124	52.7 Å²	52.7	54%	0.539	26%	0.263	S	S	.	.	H	α-helix	trans	-62.4	-26.6	175.3	-171.4	164.7	-173.3	159.2	0	112.9	F777 N854	F777-K850 HydrophobicContact CE1-CB 4.05Å; F777-K850 HydrophobicContact CE1-CG 4.22Å; F777-K850 HydrophobicContact CZ-CB 3.86Å; K850-N854 WeakPolarHBondContact O-CB 3.49Å; K850-N854 PolarHBondContact O-N 2.9Å; K850-N854 VanDerWaalsContact O-N 3.14Å; K850-N854 PolarHBondContact O-ND2 2.75Å
851	R	88	Confident	89.7	Confident	155 Å²	155	54.1 Å²	54.1	59%	0.585	27%	0.269	S	S	*	.	H	α-helix	trans	-67.2	-48.1	174.6	178	-177.7	170.9	179.1	-4.8	110	T849 N854 Q855 E876	T849-R851 PolarHBondContact O-N 3.42Å; T849-R851 PolarHBondContact OG1-N 3.38Å; R851-N854 PolarHBondContact O-N 2.91Å; R851-Q855 PolarHBondContact O-N 2.84Å; R851-E876 IonicContact NH2-OE2 3.6Å; R851-E876 PolarHBondContact NH2-OE2 3.24Å
852	D	91.7	Very high	89.7	Confident	16 Å²	16	57.4 Å²	57.4	9%	0.086	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-44.3	-177.3	-44.1	-30.3	0	0	0	110.2	W848 T849 N854 Q855 F856 V875	W848-D852 HydrophobicContact CE3-CB 3.87Å; W848-D852 HydrophobicContact CZ3-CB 4.26Å; T849-D852 WeakPolarHBondContact CB-OD2 3.43Å; T849-D852 PolarHBondContact N-OD2 3.4Å; T849-D852 PolarHBondContact O-N 2.96Å; T849-D852 VanDerWaalsContact O-N 3.15Å; T849-D852 PolarHBondContact OG1-N 3.41Å; T849-D852 PolarHBondContact OG1-OD1 3.09Å; T849-D852 PolarHBondContact OG1-OD2 2.87Å; D852-N854 PolarHBondContact O-N 2.82Å; D852-Q855 PolarHBondContact O-N 2.91Å; D852-F856 WeakPolarHBondContact O-CB 3.34Å; D852-F856 PolarHBondContact O-N 3.04Å; D852-V875 HydrophobicContact CB-CG1 4.48Å
853	F	92.8	Very high	89.9	Confident	16 Å²	16	55.6 Å²	55.6	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-49.4	172.4	177.3	-112.7	0	0	0	112.3	F777 T849 Q855 F856 I857 Y886 F890 L897 I903	F777-F853 HydrophobicContact CB-CD1 4.23Å; F777-F853 HydrophobicContact CB-CD2 3.59Å; F777-F853 HydrophobicContact CB-CE1 4.33Å; F777-F853 HydrophobicContact CB-CE2 3.68Å; F777-F853 HydrophobicContact CB-CG 3.85Å; F777-F853 HydrophobicContact CB-CZ 4.05Å; F777-F853 HydrophobicContact CD1-CB 4.47Å; F777-F853 HydrophobicContact CD1-CD1 4.1Å; F777-F853 HydrophobicContact CD1-CG 4.2Å; F777-F853 HydrophobicContact CD2-CB 3.92Å; F777-F853 HydrophobicContact CD2-CD2 4.45Å; F777-F853 HydrophobicContact CD2-CG 4.19Å; F777-F853 HydrophobicContact CE2-CB 4.28Å; F777-F853 HydrophobicContact CG-CB 4.05Å; F777-F853 HydrophobicContact CG-CD1 4.17Å; F777-F853 HydrophobicContact CG-CD2 4.06Å; F777-F853 AromaticContact CG-CG 3.83Å; F777-F853 HydrophobicContact CG-CG 3.83Å; T849-F853 PolarHBondContact O-N 3.16Å; F853-Q855 VanDerWaalsContact C-N 3.32Å; F853-Q855 PolarHBondContact O-N 2.72Å; F853-F856 WeakPolarHBondContact O-CB 2.97Å; F853-F856 PolarHBondContact O-N 2.88Å; F853-I857 HydrophobicContact CD2-CG1 4.37Å; F853-I857 HydrophobicContact CE1-CG1 4.15Å; F853-I857 HydrophobicContact CE2-CD1 3.91Å; F853-I857 HydrophobicContact CE2-CG1 4.01Å; F853-I857 HydrophobicContact CZ-CD1 4.05Å; F853-I857 HydrophobicContact CZ-CG1 3.9Å; F853-I857 WeakPolarHBondContact O-CG1 3.48Å; F853-I857 PolarHBondContact O-N 3.27Å; F853-Y886 HydrophobicContact CD2-CE1 4.46Å; F853-Y886 VanDerWaalsContact CD2-OH 3.28Å; F853-Y886 WeakPolarHBondContact CD2-OH 3.4Å; F853-F890 HydrophobicContact CE2-CD2 4.2Å; F853-F890 AromaticContact CE2-CE2 3.81Å; F853-F890 HydrophobicContact CE2-CE2 3.81Å; F853-F890 HydrophobicContact CZ-CE2 4.42Å; F853-L897 HydrophobicContact CE2-CD1 4.31Å; F853-L897 HydrophobicContact CZ-CD1 4.13Å; F853-I903 HydrophobicContact CE1-CD1 4.23Å; F853-I903 HydrophobicContact CZ-CD1 3.84Å
854	N	91.8	Very high	89.8	Confident	76 Å²	76	50.1 Å²	50.1	41%	0.406	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-34.6	179	-72.6	-32.9	0	0	0	112.8	K850 R851 D852 K858	K850-N854 WeakPolarHBondContact O-CB 3.49Å; K850-N854 PolarHBondContact O-N 2.9Å; K850-N854 VanDerWaalsContact O-N 3.14Å; K850-N854 PolarHBondContact O-ND2 2.75Å; R851-N854 PolarHBondContact O-N 2.91Å; D852-N854 PolarHBondContact O-N 2.82Å; N854-K858 WeakPolarHBondContact O-CB 3.05Å; N854-K858 WeakPolarHBondContact O-CG 3.41Å; N854-K858 PolarHBondContact O-N 3.44Å
855	Q	92.4	Very high	89.7	Confident	35 Å²	35	53.1 Å²	53.1	16%	0.164	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-43.8	172.6	-77.8	178.4	-27.5	0	0	110.6	R851 D852 F853 I857 K858 A859 V875 E876	R851-Q855 PolarHBondContact O-N 2.84Å; D852-Q855 PolarHBondContact O-N 2.91Å; F853-Q855 VanDerWaalsContact C-N 3.32Å; F853-Q855 PolarHBondContact O-N 2.72Å; Q855-I857 PolarHBondContact O-N 2.9Å; Q855-K858 PolarHBondContact O-N 3.12Å; Q855-A859 VanDerWaalsContact O-CB 3.26Å; Q855-A859 WeakPolarHBondContact O-CB 3.34Å; Q855-A859 PolarHBondContact O-N 2.82Å; Q855-V875 HydrophobicContact CB-CG2 4.5Å; Q855-E876 PolarHBondContact NE2-OE2 3.19Å
856	F	94.2	Very high	89.5	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-45.9	175.6	177.6	-99	0	0	0	112.1	W848 D852 F853 K858 A859 N860 I871 V875 V883 Y886 F890	W848-F856 HydrophobicContact CH2-CB 4.48Å; W848-F856 HydrophobicContact CH2-CD2 4.33Å; W848-F856 HydrophobicContact CZ3-CB 3.98Å; W848-F856 HydrophobicContact CZ3-CG 4.33Å; D852-F856 WeakPolarHBondContact O-CB 3.34Å; D852-F856 PolarHBondContact O-N 3.04Å; F853-F856 WeakPolarHBondContact O-CB 2.97Å; F853-F856 PolarHBondContact O-N 2.88Å; F856-K858 PolarHBondContact O-N 3.42Å; F856-A859 PolarHBondContact O-N 3.11Å; F856-N860 VanDerWaalsContact CE1-ND2 3.32Å; F856-N860 WeakPolarHBondContact CE1-ND2 3.46Å; F856-N860 WeakPolarHBondContact CE2-ND2 3.38Å; F856-N860 WeakPolarHBondContact CZ-ND2 3.29Å; F856-N860 PolarHBondContact O-N 3.48Å; F856-N860 PolarHBondContact O-ND2 2.93Å; F856-I871 HydrophobicContact CD2-CG2 3.72Å; F856-I871 HydrophobicContact CE2-CG2 3.85Å; F856-V875 HydrophobicContact CB-CG2 4.01Å; F856-V875 HydrophobicContact CD2-CG2 4.38Å; F856-V883 HydrophobicContact CD2-CG1 4.21Å; F856-V883 HydrophobicContact CE2-CG1 4.21Å; F856-Y886 HydrophobicContact CD1-CD1 4.28Å; F856-Y886 AromaticContact CD1-CE1 3.95Å; F856-Y886 HydrophobicContact CD1-CE1 3.95Å; F856-Y886 HydrophobicContact CD2-CD1 4.42Å; F856-Y886 HydrophobicContact CE1-CD1 4.26Å; F856-Y886 HydrophobicContact CE1-CE1 4.14Å; F856-Y886 HydrophobicContact CE2-CD1 4.4Å; F856-Y886 HydrophobicContact CG-CD1 4.37Å; F856-Y886 HydrophobicContact CG-CE1 4.32Å; F856-Y886 HydrophobicContact CZ-CD1 4.33Å; F856-F890 HydrophobicContact CE1-CB 4.25Å; F856-F890 AromaticContact CE1-CD1 3.7Å; F856-F890 HydrophobicContact CE1-CD1 3.7Å; F856-F890 HydrophobicContact CE1-CD2 4.14Å; F856-F890 HydrophobicContact CE1-CE1 4.06Å; F856-F890 HydrophobicContact CE1-CE2 4.47Å; F856-F890 AromaticContact CE1-CG 3.75Å; F856-F890 HydrophobicContact CE1-CG 3.75Å; F856-F890 HydrophobicContact CE1-CZ 4.43Å; F856-F890 HydrophobicContact CZ-CD1 4.25Å; F856-F890 HydrophobicContact CZ-CG 4.41Å
857	I	92.3	Very high	89.7	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-43.8	176.4	-61.6	-49.8	0	0	0	111.7	F853 Q855 A859 N860 E861 F890 I903 I907	F853-I857 HydrophobicContact CD2-CG1 4.37Å; F853-I857 HydrophobicContact CE1-CG1 4.15Å; F853-I857 HydrophobicContact CE2-CD1 3.91Å; F853-I857 HydrophobicContact CE2-CG1 4.01Å; F853-I857 HydrophobicContact CZ-CD1 4.05Å; F853-I857 HydrophobicContact CZ-CG1 3.9Å; F853-I857 WeakPolarHBondContact O-CG1 3.48Å; F853-I857 PolarHBondContact O-N 3.27Å; Q855-I857 PolarHBondContact O-N 2.9Å; I857-A859 VanDerWaalsContact C-N 3.34Å; I857-A859 PolarHBondContact O-N 2.8Å; I857-N860 PolarHBondContact O-N 2.83Å; I857-E861 PolarHBondContact O-N 2.98Å; I857-F890 HydrophobicContact CD1-CE2 3.8Å; I857-F890 HydrophobicContact CD1-CZ 3.63Å; I857-I903 HydrophobicContact CD1-CG2 3.56Å; I857-I903 HydrophobicContact CG1-CG2 4.14Å; I857-I903 HydrophobicContact CG2-CG2 4.04Å; I857-I907 HydrophobicContact CD1-CD1 4.32Å; I857-I907 HydrophobicContact CG2-CG1 4.48Å
858	K	91.1	Very high	89.7	Confident	137 Å²	137	56.9 Å²	56.9	60%	0.596	27%	0.265	S	S	*	.	H	α-helix	trans	-64.7	-38.5	176.9	-77.6	-176	177.4	-171.5	0	112.5	N854 Q855 F856 E861 K862	N854-K858 WeakPolarHBondContact O-CB 3.05Å; N854-K858 WeakPolarHBondContact O-CG 3.41Å; N854-K858 PolarHBondContact O-N 3.44Å; Q855-K858 PolarHBondContact O-N 3.12Å; F856-K858 PolarHBondContact O-N 3.42Å; K858-E861 PolarHBondContact O-N 3.42Å; K858-K862 WeakPolarHBondContact O-CB 3.46Å; K858-K862 PolarHBondContact O-N 2.72Å
859	A	91.5	Very high	89.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-41.8	176.9	0	0	0	0	0	111	Q855 F856 I857 E861 K862 Y863 I871 E874	Q855-A859 VanDerWaalsContact O-CB 3.26Å; Q855-A859 WeakPolarHBondContact O-CB 3.34Å; Q855-A859 PolarHBondContact O-N 2.82Å; F856-A859 PolarHBondContact O-N 3.11Å; I857-A859 VanDerWaalsContact C-N 3.34Å; I857-A859 PolarHBondContact O-N 2.8Å; A859-E861 PolarHBondContact O-N 3.19Å; A859-K862 PolarHBondContact O-N 2.76Å; A859-K862 VanDerWaalsContact O-N 3.13Å; A859-Y863 WeakPolarHBondContact O-CD2 3.24Å; A859-Y863 PolarHBondContact O-N 3.12Å; A859-I871 HydrophobicContact CB-CB 4.28Å; A859-I871 HydrophobicContact CB-CG1 4.19Å; A859-I871 HydrophobicContact CB-CG2 3.97Å; A859-E874 HydrophobicContact CB-CB 4.1Å; A859-E874 HydrophobicContact CB-CG 4.45Å
860	N	91.8	Very high	89.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-39.3	171.9	-82.6	-87.2	0	0	0	112.4	F856 I857 K862 G864 I871 W891 I907	F856-N860 VanDerWaalsContact CE1-ND2 3.32Å; F856-N860 WeakPolarHBondContact CE1-ND2 3.46Å; F856-N860 WeakPolarHBondContact CE2-ND2 3.38Å; F856-N860 WeakPolarHBondContact CZ-ND2 3.29Å; F856-N860 PolarHBondContact O-N 3.48Å; F856-N860 PolarHBondContact O-ND2 2.93Å; I857-N860 PolarHBondContact O-N 2.83Å; N860-K862 VanDerWaalsContact C-N 3.28Å; N860-K862 PolarHBondContact O-N 3.5Å; N860-G864 WeakPolarHBondContact O-CA 3.26Å; N860-G864 PolarHBondContact O-N 3.27Å; N860-I871 WeakPolarHBondContact OD1-CD1 3.37Å; N860-W891 WeakPolarHBondContact OD1-CZ2 3.31Å; N860-I907 HydrophobicContact CB-CD1 3.98Å; N860-I907 HydrophobicContact CB-CG1 4.03Å; N860-I907 HydrophobicContact CB-CG2 4.21Å
861	E	89.1	Confident	89.8	Confident	44 Å²	44	55.6 Å²	55.6	21%	0.206	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-36.9	173.3	-178.2	-175.4	177.5	0	0	112	I857 K858 A859 Q906 G910 R913	I857-E861 PolarHBondContact O-N 2.98Å; K858-E861 PolarHBondContact O-N 3.42Å; A859-E861 PolarHBondContact O-N 3.19Å; E861-Q906 HydrophobicContact CB-CG 4.47Å; E861-Q906 HydrophobicContact CG-CG 4.32Å; E861-Q906 WeakPolarHBondContact OE2-CG 3.49Å; E861-Q906 PolarHBondContact OE2-NE2 3.33Å; E861-G910 CarbonylContact O-C 3.55Å; E861-G910 WeakPolarHBondContact O-CA 3.41Å; E861-R913 IonicContact OE1-NH1 2.67Å; E861-R913 PolarHBondContact OE1-NH1 2.75Å
862	K	87.9	Confident	89.9	Confident	107 Å²	107	48.6 Å²	48.6	47%	0.465	24%	0.237	S	C	.	.	H	α-helix	trans	-82.2	-39.2	-172.2	-172.7	179.7	176.8	-165.6	0	113.6	K858 A859 N860 E874 I914	K858-K862 WeakPolarHBondContact O-CB 3.46Å; K858-K862 PolarHBondContact O-N 2.72Å; A859-K862 PolarHBondContact O-N 2.76Å; A859-K862 VanDerWaalsContact O-N 3.13Å; N860-K862 VanDerWaalsContact C-N 3.28Å; N860-K862 PolarHBondContact O-N 3.5Å; K862-E874 VanDerWaalsContact NZ-CD 3.27Å; K862-E874 IonicContact NZ-OE1 3.51Å; K862-E874 PolarHBondContact NZ-OE1 3.16Å; K862-E874 IonicContact NZ-OE2 3.19Å; K862-E874 PolarHBondContact NZ-OE2 3.43Å; K862-I914 WeakPolarHBondContact O-CD1 3.48Å
863	Y	88.8	Confident	89.7	Confident	70 Å²	70	57.4 Å²	57.4	28%	0.275	27%	0.269	S	S	.	.	H	α-helix	trans	-109.3	-15.7	-174.7	-59.1	-70.1	0	0	0	113.7	A859 N870 E874	A859-Y863 WeakPolarHBondContact O-CD2 3.24Å; A859-Y863 PolarHBondContact O-N 3.12Å; Y863-N870 HydrophobicContact CD1-CB 3.62Å; Y863-N870 HydrophobicContact CD2-CB 3.88Å; Y863-N870 HydrophobicContact CE1-CB 3.82Å; Y863-N870 HydrophobicContact CE2-CB 4.05Å; Y863-N870 HydrophobicContact CG-CB 3.67Å; Y863-E874 HydrophobicContact CE2-CB 4.38Å; Y863-E874 WeakPolarHBondContact CE2-OE2 3.34Å; Y863-E874 PolarHBondContact OH-OE2 3.32Å
864	G	87	Confident	89.5	Confident	7 Å²	7	59.8 Å²	59.8	7%	0.072	28%	0.281	C	S	.	.			trans	83.5	158.8	-172.7	0	0	0	0	0	112	N860 D866 D867 I871	N860-G864 WeakPolarHBondContact O-CA 3.26Å; N860-G864 PolarHBondContact O-N 3.27Å; G864-D866 PolarHBondContact O-N 3.12Å; G864-D866 VanDerWaalsContact O-N 3.15Å; G864-D867 PolarHBondContact O-N 3.44Å; G864-I871 WeakPolarHBondContact O-CD1 3.49Å
865	R	86.3	Confident	89.4	Confident	73 Å²	73	56.3 Å²	56.3	28%	0.275	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.1	-172	71.4	-172.6	72.9	-167.8	3.9	115.5	W891 E911	R865-W891 HydrophobicContact CB-CH2 4.08Å; R865-W891 HydrophobicContact CB-CZ2 3.46Å; R865-W891 VanDerWaalsContact CB-CZ2 3.46Å; R865-E911 VanDerWaalsContact CB-OE1 3.3Å; R865-E911 WeakPolarHBondContact CB-OE1 3.47Å; R865-E911 WeakPolarHBondContact CG-OE1 3.4Å; R865-E911 IonicContact CZ-OE1 2.73Å; R865-E911 IonicContact CZ-OE2 3.8Å; R865-E911 PolarHBondContact N-OE1 3.09Å; R865-E911 IonicContact NE-OE1 3.25Å; R865-E911 PolarHBondContact NE-OE1 3.38Å; R865-E911 IonicContact NE-OE2 3.73Å; R865-E911 PolarHBondContact NE-OE2 3.29Å; R865-E911 IonicContact NH2-OE1 2.67Å; R865-E911 IonicContact NH2-OE2 3.18Å; R865-E911 PolarHBondContact NH2-OE2 3.3Å
866	D	85.2	Confident	89	Confident	150 Å²	150	60.3 Å²	60.3	80%	0.802	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-15.4	-173.5	-59.4	-41	0	0	0	113.5	G864 I868	G864-D866 PolarHBondContact O-N 3.12Å; G864-D866 VanDerWaalsContact O-N 3.15Å; D866-I868 PolarHBondContact O-N 3.09Å
867	D	88.3	Confident	88.6	Confident	53 Å²	53	64 Å²	64	28%	0.283	32%	0.319	S	S	.	.			trans	-94.7	65.5	-175.6	-168.8	-9.5	0	0	0	111.6	G864 D869 N870 I871	G864-D867 PolarHBondContact O-N 3.44Å; D867-D869 PolarHBondContact O-N 3.07Å; D867-N870 VanDerWaalsContact CG-ND2 3.28Å; D867-N870 PolarHBondContact O-N 3.12Å; D867-N870 WeakPolarHBondContact OD1-CB 3.36Å; D867-N870 PolarHBondContact OD1-N 3.36Å; D867-N870 PolarHBondContact OD1-ND2 3.16Å; D867-N870 VanDerWaalsContact OD1-ND2 3.09Å; D867-N870 PolarHBondContact OD2-ND2 3.23Å; D867-I871 VanDerWaalsContact O-CG1 3.28Å; D867-I871 WeakPolarHBondContact O-CG1 3.35Å; D867-I871 PolarHBondContact O-N 3.16Å; D867-I871 VanDerWaalsContact O-N 3.09Å
868	I	87.9	Confident	88.4	Confident	55 Å²	55	65.1 Å²	65.1	28%	0.282	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-32.8	-174.2	-57	175.5	0	0	0	111.8	D866 I871 A872 M884	D866-I868 PolarHBondContact O-N 3.09Å; I868-I871 PolarHBondContact O-N 3.47Å; I868-A872 WeakPolarHBondContact O-CB 3.32Å; I868-A872 PolarHBondContact O-N 2.94Å; I868-M884 HydrophobicContact CG2-CG 3.6Å
869	D	88.8	Confident	88.3	Confident	120 Å²	120	60.7 Å²	60.7	64%	0.642	31%	0.31	S	S	*	.	H	α-helix	trans	-63.1	-44.8	-179.6	-71.2	-35.1	0	0	0	112.2	D867 R873	D867-D869 PolarHBondContact O-N 3.07Å; D869-R873 WeakPolarHBondContact O-CG 3.32Å; D869-R873 PolarHBondContact O-N 3.5Å
870	N	89.2	Confident	88.1	Confident	46 Å²	46	64.6 Å²	64.6	25%	0.246	34%	0.335	C	S	.	.	H	α-helix	trans	-75.8	-32.7	177	-72.5	-46.2	0	0	0	111.9	Y863 D867 R873 E874	Y863-N870 HydrophobicContact CD1-CB 3.62Å; Y863-N870 HydrophobicContact CD2-CB 3.88Å; Y863-N870 HydrophobicContact CE1-CB 3.82Å; Y863-N870 HydrophobicContact CE2-CB 4.05Å; Y863-N870 HydrophobicContact CG-CB 3.67Å; D867-N870 VanDerWaalsContact CG-ND2 3.28Å; D867-N870 PolarHBondContact O-N 3.12Å; D867-N870 WeakPolarHBondContact OD1-CB 3.36Å; D867-N870 PolarHBondContact OD1-N 3.36Å; D867-N870 PolarHBondContact OD1-ND2 3.16Å; D867-N870 VanDerWaalsContact OD1-ND2 3.09Å; D867-N870 PolarHBondContact OD2-ND2 3.23Å; N870-R873 PolarHBondContact O-N 3.22Å; N870-E874 PolarHBondContact O-N 3.15Å
871	I	89.2	Confident	88	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-59.2	-48.4	172.1	-67.9	164.7	0	0	0	110.5	F856 A859 N860 G864 D867 I868 R873 E874 V875 V883	F856-I871 HydrophobicContact CD2-CG2 3.72Å; F856-I871 HydrophobicContact CE2-CG2 3.85Å; A859-I871 HydrophobicContact CB-CB 4.28Å; A859-I871 HydrophobicContact CB-CG1 4.19Å; A859-I871 HydrophobicContact CB-CG2 3.97Å; N860-I871 WeakPolarHBondContact OD1-CD1 3.37Å; G864-I871 WeakPolarHBondContact O-CD1 3.49Å; D867-I871 VanDerWaalsContact O-CG1 3.28Å; D867-I871 WeakPolarHBondContact O-CG1 3.35Å; D867-I871 PolarHBondContact O-N 3.16Å; D867-I871 VanDerWaalsContact O-N 3.09Å; I868-I871 PolarHBondContact O-N 3.47Å; I871-R873 VanDerWaalsContact C-N 3.27Å; I871-R873 PolarHBondContact O-N 2.84Å; I871-E874 PolarHBondContact O-N 3.24Å; I871-E874 VanDerWaalsContact O-N 3.12Å; I871-V875 HydrophobicContact CG2-CG2 4.44Å; I871-V875 WeakPolarHBondContact O-CG2 3.12Å; I871-V875 PolarHBondContact O-N 3.42Å; I871-V883 HydrophobicContact CG2-CG1 3.99Å
872	A	89.7	Confident	88.1	Confident	9 Å²	9	73 Å²	73	7%	0.074	37%	0.374	C	S	.	.	H	α-helix	trans	-59.9	-34.4	179.8	0	0	0	0	0	113.3	I868 E874 P880 V883	I868-A872 WeakPolarHBondContact O-CB 3.32Å; I868-A872 PolarHBondContact O-N 2.94Å; A872-E874 VanDerWaalsContact C-N 3.35Å; A872-P880 HydrophobicContact CB-CB 4.04Å; A872-P880 HydrophobicContact CB-CG 4.42Å; A872-V883 HydrophobicContact CB-CB 4.14Å; A872-V883 HydrophobicContact CB-CG1 4.19Å; A872-V883 HydrophobicContact CB-CG2 4.41Å
873	R	89.1	Confident	88.3	Confident	201 Å²	201	67.9 Å²	67.9	76%	0.758	35%	0.352	S	S	*	.	H	α-helix	trans	-71	-27.2	177.3	-73.4	177.4	-177.2	160.5	2	113.9	D869 N870 I871	D869-R873 WeakPolarHBondContact O-CG 3.32Å; D869-R873 PolarHBondContact O-N 3.5Å; N870-R873 PolarHBondContact O-N 3.22Å; I871-R873 VanDerWaalsContact C-N 3.27Å; I871-R873 PolarHBondContact O-N 2.84Å
874	E	87.8	Confident	88.4	Confident	66 Å²	66	69.5 Å²	69.5	31%	0.308	36%	0.364	S	S	.	.	H	α-helix	trans	-91	-20.4	-177.4	-164.7	142.6	165.9	0	0	112.9	A859 K862 Y863 N870 I871 A872 E876	A859-E874 HydrophobicContact CB-CB 4.1Å; A859-E874 HydrophobicContact CB-CG 4.45Å; K862-E874 VanDerWaalsContact NZ-CD 3.27Å; K862-E874 IonicContact NZ-OE1 3.51Å; K862-E874 PolarHBondContact NZ-OE1 3.16Å; K862-E874 IonicContact NZ-OE2 3.19Å; K862-E874 PolarHBondContact NZ-OE2 3.43Å; Y863-E874 HydrophobicContact CE2-CB 4.38Å; Y863-E874 WeakPolarHBondContact CE2-OE2 3.34Å; Y863-E874 PolarHBondContact OH-OE2 3.32Å; N870-E874 PolarHBondContact O-N 3.15Å; I871-E874 PolarHBondContact O-N 3.24Å; I871-E874 VanDerWaalsContact O-N 3.12Å; A872-E874 VanDerWaalsContact C-N 3.35Å; E874-E876 PolarHBondContact O-N 3.09Å; E874-E876 VanDerWaalsContact O-N 3.1Å
875	V	89.4	Confident	88.6	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.012	39%	0.388	C	S	.	.	S	Bend	trans	-80.7	87.6	171.9	-174.8	0	0	0	0	109.6	W848 D852 Q855 F856 I871 G877 K878 V883	W848-V875 HydrophobicContact CH2-CG1 4.32Å; W848-V875 HydrophobicContact CZ3-CG1 4.44Å; D852-V875 HydrophobicContact CB-CG1 4.48Å; Q855-V875 HydrophobicContact CB-CG2 4.5Å; F856-V875 HydrophobicContact CB-CG2 4.01Å; F856-V875 HydrophobicContact CD2-CG2 4.38Å; I871-V875 HydrophobicContact CG2-CG2 4.44Å; I871-V875 WeakPolarHBondContact O-CG2 3.12Å; I871-V875 PolarHBondContact O-N 3.42Å; V875-G877 PolarHBondContact O-N 3.4Å; V875-K878 HydrophobicContact CG1-CB 4.02Å; V875-K878 HydrophobicContact CG1-CG 3.73Å; V875-K878 PolarHBondContact O-N 3.3Å; V875-V883 HydrophobicContact CB-CG2 4.13Å; V875-V883 HydrophobicContact CG1-CG2 4.31Å
876	E	83.9	Confident	88.9	Confident	119 Å²	119	71.7 Å²	71.7	56%	0.556	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	128.1	-179.1	-64.6	174.9	159.9	0	0	111.9	R851 Q855 E874	R851-E876 IonicContact NH2-OE2 3.6Å; R851-E876 PolarHBondContact NH2-OE2 3.24Å; Q855-E876 PolarHBondContact NE2-OE2 3.19Å; E874-E876 PolarHBondContact O-N 3.09Å; E874-E876 VanDerWaalsContact O-N 3.1Å
877	G	85.5	Confident	89.2	Confident	79 Å²	79	64.8 Å²	64.8	81%	0.814	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	6.7	175.1	0	0	0	0	0	115.3	V875	V875-G877 PolarHBondContact O-N 3.4Å
878	K	88.5	Confident	89.4	Confident	29 Å²	29	65.2 Å²	65.2	13%	0.126	35%	0.35	C	S	.	.			trans	-114.9	144.3	170.3	-62.2	-62.2	176.7	-168.2	0	111.4	N847 W848 V875 E882 V883	N847-K878 VanDerWaalsContact C-NZ 3.32Å; N847-K878 PolarHBondContact ND2-NZ 2.95Å; N847-K878 PolarHBondContact O-NZ 3.46Å; W848-K878 HydrophobicContact CH2-CG 4.49Å; W848-K878 HydrophobicContact CZ2-CD 4.4Å; W848-K878 HydrophobicContact CZ2-CG 4.17Å; V875-K878 HydrophobicContact CG1-CB 4.02Å; V875-K878 HydrophobicContact CG1-CG 3.73Å; V875-K878 PolarHBondContact O-N 3.3Å; K878-E882 WeakPolarHBondContact CA-OE2 3.38Å; K878-E882 HydrophobicContact CB-CB 4.45Å; K878-E882 WeakPolarHBondContact CD-OE2 3.44Å; K878-V883 HydrophobicContact CB-CG2 3.61Å; K878-V883 HydrophobicContact CG-CG2 4.48Å
879	S	89.3	Confident	89.6	Confident	43 Å²	43	64 Å²	64	30%	0.301	35%	0.345	S	S	.	.			trans	-73.4	155	170.7	82.1	0	0	0	0	110.2	E881 E882 V883	S879-E881 PolarHBondContact O-N 3.38Å; S879-E881 PolarHBondContact OG-N 3.48Å; S879-E882 PolarHBondContact N-OE2 3.45Å; S879-E882 PolarHBondContact O-N 3.47Å; S879-E882 VanDerWaalsContact O-N 3.15Å; S879-E882 WeakPolarHBondContact OG-CG 3.5Å; S879-E882 PolarHBondContact OG-N 2.74Å; S879-E882 VanDerWaalsContact OG-N 3.08Å; S879-V883 WeakPolarHBondContact O-CG2 3.44Å; S879-V883 PolarHBondContact O-N 3.02Å
880	P	88.5	Confident	89.8	Confident	83 Å²	83	58.3 Å²	58.3	54%	0.539	31%	0.314	S	S	.	.	H	α-helix	trans	-56.2	-34.9	173.9	-26.2	35.4	0	0	0	113.4	A872 V883 M884	A872-P880 HydrophobicContact CB-CB 4.04Å; A872-P880 HydrophobicContact CB-CG 4.42Å; P880-V883 PolarHBondContact O-N 3.32Å; P880-M884 WeakPolarHBondContact O-CB 3.24Å; P880-M884 WeakPolarHBondContact O-CG 3.44Å; P880-M884 PolarHBondContact O-N 3.45Å
881	E	89.7	Confident	89.9	Confident	159 Å²	159	59.1 Å²	59.1	74%	0.743	31%	0.314	S	S	*	.	H	α-helix	trans	-65.5	-45.2	176.1	-63.4	172.4	179.6	0	0	111.6	S879 V883 M884 E885	S879-E881 PolarHBondContact O-N 3.38Å; S879-E881 PolarHBondContact OG-N 3.48Å; E881-V883 VanDerWaalsContact C-N 3.31Å; E881-V883 PolarHBondContact O-N 3.43Å; E881-M884 PolarHBondContact O-N 3.12Å; E881-E885 PolarHBondContact O-N 2.92Å
882	E	90.9	Very high	90	Very high	60 Å²	60	66.4 Å²	66.4	28%	0.28	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-38.6	176.1	-73.4	178.5	131	0	0	111.7	N847 K878 S879 Y886	N847-E882 PolarHBondContact ND2-OE1 3.39Å; K878-E882 WeakPolarHBondContact CA-OE2 3.38Å; K878-E882 HydrophobicContact CB-CB 4.45Å; K878-E882 WeakPolarHBondContact CD-OE2 3.44Å; S879-E882 PolarHBondContact N-OE2 3.45Å; S879-E882 PolarHBondContact O-N 3.47Å; S879-E882 VanDerWaalsContact O-N 3.15Å; S879-E882 WeakPolarHBondContact OG-CG 3.5Å; S879-E882 PolarHBondContact OG-N 2.74Å; S879-E882 VanDerWaalsContact OG-N 3.08Å; E882-Y886 VanDerWaalsContact O-CB 3.29Å; E882-Y886 WeakPolarHBondContact O-CB 3.5Å; E882-Y886 PolarHBondContact O-N 3.04Å
883	V	91.2	Very high	90.1	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-70.4	-37.9	177.8	177.3	0	0	0	0	111.1	W848 F856 I871 A872 V875 K878 S879 P880 E881 S887	W848-V883 HydrophobicContact CH2-CG2 4.34Å; W848-V883 HydrophobicContact CZ2-CG2 4.4Å; F856-V883 HydrophobicContact CD2-CG1 4.21Å; F856-V883 HydrophobicContact CE2-CG1 4.21Å; I871-V883 HydrophobicContact CG2-CG1 3.99Å; A872-V883 HydrophobicContact CB-CB 4.14Å; A872-V883 HydrophobicContact CB-CG1 4.19Å; A872-V883 HydrophobicContact CB-CG2 4.41Å; V875-V883 HydrophobicContact CB-CG2 4.13Å; V875-V883 HydrophobicContact CG1-CG2 4.31Å; K878-V883 HydrophobicContact CB-CG2 3.61Å; K878-V883 HydrophobicContact CG-CG2 4.48Å; S879-V883 WeakPolarHBondContact O-CG2 3.44Å; S879-V883 PolarHBondContact O-N 3.02Å; P880-V883 PolarHBondContact O-N 3.32Å; E881-V883 VanDerWaalsContact C-N 3.31Å; E881-V883 PolarHBondContact O-N 3.43Å; V883-S887 WeakPolarHBondContact O-CB 3.5Å; V883-S887 PolarHBondContact O-N 3.35Å
884	M	90.8	Very high	90	Very high	105 Å²	105	60 Å²	60	52%	0.517	33%	0.325	S	S	.	.	H	α-helix	trans	-62.5	-49	174	-80.7	178.1	67.1	0	0	112	I868 P880 E881 S887 A888	I868-M884 HydrophobicContact CG2-CG 3.6Å; P880-M884 WeakPolarHBondContact O-CB 3.24Å; P880-M884 WeakPolarHBondContact O-CG 3.44Å; P880-M884 PolarHBondContact O-N 3.45Å; E881-M884 PolarHBondContact O-N 3.12Å; M884-S887 PolarHBondContact O-N 3.22Å; M884-A888 PolarHBondContact O-N 3.21Å
885	E	90.9	Very high	90	Very high	126 Å²	126	62.5 Å²	62.5	59%	0.589	34%	0.341	S	S	*	.	H	α-helix	trans	-60.5	-46.9	178.2	-174.9	179.1	-166.3	0	0	111.1	F845 E881 S887 A888 V889	F845-E885 HydrophobicContact CE1-CG 4.23Å; F845-E885 HydrophobicContact CZ-CG 4.38Å; E881-E885 PolarHBondContact O-N 2.92Å; E885-S887 PolarHBondContact O-N 2.67Å; E885-A888 PolarHBondContact O-N 3.09Å; E885-V889 PolarHBondContact O-N 2.83Å
886	Y	93.5	Very high	89.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-63.1	-42.3	176.4	-173.2	-95.5	0	0	0	112.4	F777 F779 F845 W848 F853 F856 E882 A888 V889 F890	F777-Y886 VanDerWaalsContact O-CE2 3.3Å; F777-Y886 WeakPolarHBondContact O-CE2 3.44Å; F777-Y886 PolarHBondContact O-OH 3.23Å; F779-Y886 HydrophobicContact CD2-CE2 4.01Å; F779-Y886 AromaticContact CE2-CE2 3.96Å; F779-Y886 HydrophobicContact CE2-CE2 3.96Å; F779-Y886 AromaticContact CE2-CZ 3.83Å; F845-Y886 HydrophobicContact CB-CD2 4.21Å; F845-Y886 HydrophobicContact CB-CE2 4.22Å; F845-Y886 AromaticContact CD1-CD2 3.83Å; F845-Y886 HydrophobicContact CD1-CD2 3.83Å; F845-Y886 AromaticContact CD2-CD2 3.7Å; F845-Y886 HydrophobicContact CD2-CD2 3.7Å; F845-Y886 AromaticContact CD2-CE2 3.9Å; F845-Y886 HydrophobicContact CD2-CE2 3.9Å; F845-Y886 HydrophobicContact CE1-CD2 4.05Å; F845-Y886 AromaticContact CE2-CD2 3.92Å; F845-Y886 HydrophobicContact CE2-CD2 3.92Å; F845-Y886 HydrophobicContact CE2-CE2 4.4Å; F845-Y886 AromaticContact CG-CD2 3.64Å; F845-Y886 HydrophobicContact CG-CD2 3.64Å; F845-Y886 HydrophobicContact CG-CE2 4.01Å; F845-Y886 HydrophobicContact CZ-CD2 4.09Å; W848-Y886 HydrophobicContact CB-CE2 4.46Å; W848-Y886 AromaticContact CD1-CD2 3.99Å; W848-Y886 HydrophobicContact CD2-CD1 4.24Å; W848-Y886 AromaticContact CD2-CD2 3.55Å; W848-Y886 HydrophobicContact CD2-CD2 3.55Å; W848-Y886 HydrophobicContact CD2-CE1 4.4Å; W848-Y886 AromaticContact CD2-CE2 3.75Å; W848-Y886 HydrophobicContact CD2-CE2 3.75Å; W848-Y886 AromaticContact CD2-CG 3.81Å; W848-Y886 HydrophobicContact CD2-CG 3.81Å; W848-Y886 AromaticContact CE2-CD2 3.47Å; W848-Y886 VanDerWaalsContact CE2-CD2 3.47Å; W848-Y886 AromaticContact CE2-CG 3.43Å; W848-Y886 VanDerWaalsContact CE2-CG 3.43Å; W848-Y886 AromaticContact CE3-CD1 3.93Å; W848-Y886 HydrophobicContact CE3-CD1 3.93Å; W848-Y886 AromaticContact CE3-CD2 3.99Å; W848-Y886 HydrophobicContact CE3-CD2 3.99Å; W848-Y886 AromaticContact CE3-CE1 3.84Å; W848-Y886 HydrophobicContact CE3-CE1 3.84Å; W848-Y886 AromaticContact CE3-CE2 3.91Å; W848-Y886 HydrophobicContact CE3-CE2 3.91Å; W848-Y886 AromaticContact CE3-CG 4Å; W848-Y886 HydrophobicContact CE3-CG 4Å; W848-Y886 AromaticContact CE3-CZ 3.83Å; W848-Y886 AromaticContact CG-CD2 3.93Å; W848-Y886 HydrophobicContact CG-CD2 3.93Å; W848-Y886 AromaticContact CG-CE2 3.99Å; W848-Y886 HydrophobicContact CG-CE2 3.99Å; W848-Y886 AromaticContact CH2-CD1 3.38Å; W848-Y886 HydrophobicContact CH2-CD1 3.38Å; W848-Y886 HydrophobicContact CH2-CD2 4.29Å; W848-Y886 HydrophobicContact CH2-CE1 4.04Å; W848-Y886 AromaticContact CH2-CG 3.52Å; W848-Y886 HydrophobicContact CH2-CG 3.52Å; W848-Y886 AromaticContact CZ2-CD1 3.73Å; W848-Y886 HydrophobicContact CZ2-CD1 3.73Å; W848-Y886 AromaticContact CZ2-CD2 3.9Å; W848-Y886 HydrophobicContact CZ2-CD2 3.9Å; W848-Y886 AromaticContact CZ2-CG 3.31Å; W848-Y886 HydrophobicContact CZ2-CG 3.31Å; W848-Y886 AromaticContact CZ3-CD1 3.49Å; W848-Y886 HydrophobicContact CZ3-CD1 3.49Å; W848-Y886 VanDerWaalsContact CZ3-CD1 3.49Å; W848-Y886 HydrophobicContact CZ3-CD2 4.33Å; W848-Y886 AromaticContact CZ3-CE1 3.64Å; W848-Y886 HydrophobicContact CZ3-CE1 3.64Å; W848-Y886 HydrophobicContact CZ3-CE2 4.45Å; W848-Y886 AromaticContact CZ3-CG 3.86Å; W848-Y886 HydrophobicContact CZ3-CG 3.86Å; W848-Y886 AromaticContact NE1-CD2 3.72Å; W848-Y886 AromaticContact NE1-CG 4Å; F853-Y886 HydrophobicContact CD2-CE1 4.46Å; F853-Y886 VanDerWaalsContact CD2-OH 3.28Å; F853-Y886 WeakPolarHBondContact CD2-OH 3.4Å; F856-Y886 HydrophobicContact CD1-CD1 4.28Å; F856-Y886 AromaticContact CD1-CE1 3.95Å; F856-Y886 HydrophobicContact CD1-CE1 3.95Å; F856-Y886 HydrophobicContact CD2-CD1 4.42Å; F856-Y886 HydrophobicContact CE1-CD1 4.26Å; F856-Y886 HydrophobicContact CE1-CE1 4.14Å; F856-Y886 HydrophobicContact CE2-CD1 4.4Å; F856-Y886 HydrophobicContact CG-CD1 4.37Å; F856-Y886 HydrophobicContact CG-CE1 4.32Å; F856-Y886 HydrophobicContact CZ-CD1 4.33Å; E882-Y886 VanDerWaalsContact O-CB 3.29Å; E882-Y886 WeakPolarHBondContact O-CB 3.5Å; E882-Y886 PolarHBondContact O-N 3.04Å; Y886-A888 VanDerWaalsContact C-N 3.35Å; Y886-A888 PolarHBondContact O-N 3.16Å; Y886-V889 PolarHBondContact O-N 3.09Å; Y886-F890 HydrophobicContact CD1-CB 4.33Å; Y886-F890 HydrophobicContact CE1-CB 4.17Å; Y886-F890 HydrophobicContact CE1-CD2 4.34Å; Y886-F890 WeakPolarHBondContact O-CB 3.26Å; Y886-F890 PolarHBondContact O-N 3.37Å
887	S	91.1	Very high	89.9	Confident	4 Å²	4	61.1 Å²	61.1	3%	0.028	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-44	178.6	-172.9	0	0	0	0	111.4	V883 M884 E885 F890 W891	V883-S887 WeakPolarHBondContact O-CB 3.5Å; V883-S887 PolarHBondContact O-N 3.35Å; M884-S887 PolarHBondContact O-N 3.22Å; E885-S887 PolarHBondContact O-N 2.67Å; S887-F890 PolarHBondContact O-N 3.07Å; S887-W891 PolarHBondContact O-N 3.47Å; S887-W891 PolarHBondContact OG-NE1 3.37Å
888	A	92	Very high	89.7	Confident	63 Å²	63	65.6 Å²	65.6	52%	0.521	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-49.9	177.3	0	0	0	0	0	111.8	M884 E885 Y886 W891 E892	M884-A888 PolarHBondContact O-N 3.21Å; E885-A888 PolarHBondContact O-N 3.09Å; Y886-A888 VanDerWaalsContact C-N 3.35Å; Y886-A888 PolarHBondContact O-N 3.16Å; A888-W891 PolarHBondContact O-N 3.18Å; A888-E892 WeakPolarHBondContact O-CB 3.32Å; A888-E892 PolarHBondContact O-N 3.46Å; A888-E892 VanDerWaalsContact O-N 3.08Å
889	V	91.7	Very high	89.4	Confident	30 Å²	30	69.4 Å²	69.4	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-68.5	-39	179.2	-178.2	0	0	0	0	111.6	F779 F845 E885 Y886 W891 E892 R893	F779-V889 HydrophobicContact CB-CG1 4.1Å; F779-V889 HydrophobicContact CD2-CG1 4.2Å; F779-V889 HydrophobicContact CG-CG1 4.08Å; F845-V889 HydrophobicContact CE2-CB 3.78Å; F845-V889 HydrophobicContact CE2-CG1 3.81Å; F845-V889 HydrophobicContact CE2-CG2 4.02Å; F845-V889 HydrophobicContact CZ-CB 3.95Å; F845-V889 HydrophobicContact CZ-CG1 4.43Å; F845-V889 HydrophobicContact CZ-CG2 3.79Å; E885-V889 PolarHBondContact O-N 2.83Å; Y886-V889 PolarHBondContact O-N 3.09Å; V889-W891 PolarHBondContact O-N 3.25Å; V889-E892 PolarHBondContact O-N 2.73Å; V889-R893 HydrophobicContact CG1-CG 4.5Å; V889-R893 WeakPolarHBondContact O-CB 3.37Å; V889-R893 PolarHBondContact O-N 3.01Å
890	F	93.3	Very high	89.4	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-56.8	-50.8	175.9	172.6	-91.4	0	0	0	110.2	F779 F853 F856 I857 Y886 S887 E892 R893 C894 L897 I903	F779-F890 HydrophobicContact CE2-CB 4.13Å; F779-F890 HydrophobicContact CE2-CD2 4.17Å; F779-F890 HydrophobicContact CZ-CB 4.25Å; F779-F890 AromaticContact CZ-CD2 3.88Å; F779-F890 HydrophobicContact CZ-CD2 3.88Å; F779-F890 HydrophobicContact CZ-CG 4.46Å; F853-F890 HydrophobicContact CE2-CD2 4.2Å; F853-F890 AromaticContact CE2-CE2 3.81Å; F853-F890 HydrophobicContact CE2-CE2 3.81Å; F853-F890 HydrophobicContact CZ-CE2 4.42Å; F856-F890 HydrophobicContact CE1-CB 4.25Å; F856-F890 AromaticContact CE1-CD1 3.7Å; F856-F890 HydrophobicContact CE1-CD1 3.7Å; F856-F890 HydrophobicContact CE1-CD2 4.14Å; F856-F890 HydrophobicContact CE1-CE1 4.06Å; F856-F890 HydrophobicContact CE1-CE2 4.47Å; F856-F890 AromaticContact CE1-CG 3.75Å; F856-F890 HydrophobicContact CE1-CG 3.75Å; F856-F890 HydrophobicContact CE1-CZ 4.43Å; F856-F890 HydrophobicContact CZ-CD1 4.25Å; F856-F890 HydrophobicContact CZ-CG 4.41Å; I857-F890 HydrophobicContact CD1-CE2 3.8Å; I857-F890 HydrophobicContact CD1-CZ 3.63Å; Y886-F890 HydrophobicContact CD1-CB 4.33Å; Y886-F890 HydrophobicContact CE1-CB 4.17Å; Y886-F890 HydrophobicContact CE1-CD2 4.34Å; Y886-F890 WeakPolarHBondContact O-CB 3.26Å; Y886-F890 PolarHBondContact O-N 3.37Å; S887-F890 PolarHBondContact O-N 3.07Å; F890-E892 VanDerWaalsContact C-N 3.35Å; F890-E892 PolarHBondContact O-N 3.34Å; F890-R893 PolarHBondContact O-N 3.09Å; F890-C894 HydrophobicContact CE1-CB 4.47Å; F890-C894 HydrophobicContact CZ-CB 4.42Å; F890-C894 WeakPolarHBondContact O-CA 3.36Å; F890-C894 WeakPolarHBondContact O-CB 3.28Å; F890-C894 PolarHBondContact O-N 3.28Å; F890-L897 HydrophobicContact CD2-CD1 4.16Å; F890-L897 HydrophobicContact CE2-CD1 3.57Å; F890-L897 HydrophobicContact CZ-CD1 4.44Å; F890-I903 HydrophobicContact CZ-CG2 4.27Å
891	W	92.2	Very high	89.2	Confident	62 Å²	62	73.1 Å²	73.1	24%	0.235	36%	0.362	C	S	.	.	H	α-helix	trans	-69.5	-31.6	-178.7	-69.9	118.8	0	0	0	113.3	N860 R865 S887 A888 V889 M904 I907	N860-W891 WeakPolarHBondContact OD1-CZ2 3.31Å; R865-W891 HydrophobicContact CB-CH2 4.08Å; R865-W891 HydrophobicContact CB-CZ2 3.46Å; R865-W891 VanDerWaalsContact CB-CZ2 3.46Å; S887-W891 PolarHBondContact O-N 3.47Å; S887-W891 PolarHBondContact OG-NE1 3.37Å; A888-W891 PolarHBondContact O-N 3.18Å; V889-W891 PolarHBondContact O-N 3.25Å; W891-M904 HydrophobicContact CH2-SD 4.47Å; W891-M904 HydrophobicContact CZ3-CE 4.11Å; W891-M904 HydrophobicContact CZ3-SD 3.78Å; W891-I907 HydrophobicContact CH2-CD1 3.8Å; W891-I907 HydrophobicContact CH2-CG2 4.23Å; W891-I907 HydrophobicContact CZ2-CD1 4.34Å
892	E	91.4	Very high	89.1	Confident	154 Å²	154	72.9 Å²	72.9	72%	0.72	36%	0.358	S	S	*	.	H	α-helix	trans	-70.5	-37.9	175.3	-172.1	178.9	-174.8	0	0	112.8	A888 V889 F890	A888-E892 WeakPolarHBondContact O-CB 3.32Å; A888-E892 PolarHBondContact O-N 3.46Å; A888-E892 VanDerWaalsContact O-N 3.08Å; V889-E892 PolarHBondContact O-N 2.73Å; F890-E892 VanDerWaalsContact C-N 3.35Å; F890-E892 PolarHBondContact O-N 3.34Å
893	R	91	Very high	88.9	Confident	53 Å²	53	70.9 Å²	70.9	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-118.5	12.9	-170	-64.1	175.3	62.2	-163	-7.6	114.4	F779 F780 V889 F890 N895 E896	F779-R893 HydrophobicContact CD1-CB 3.83Å; F779-R893 HydrophobicContact CE1-CB 3.9Å; F779-R893 WeakPolarHBondContact CE1-O 3.4Å; F779-R893 PolarHBondContact O-NH1 2.72Å; F779-R893 PolarHBondContact O-NH2 3.46Å; F780-R893 PolarHBondContact O-NH2 2.83Å; V889-R893 HydrophobicContact CG1-CG 4.5Å; V889-R893 WeakPolarHBondContact O-CB 3.37Å; V889-R893 PolarHBondContact O-N 3.01Å; F890-R893 PolarHBondContact O-N 3.09Å; R893-N895 WeakPolarHBondContact CA-OD1 3.4Å; R893-N895 PolarHBondContact O-N 2.8Å; R893-N895 PolarHBondContact O-OD1 3.06Å; R893-E896 HydrophobicContact CB-CG 4.46Å; R893-E896 IonicContact CZ-OE1 3.71Å; R893-E896 IonicContact CZ-OE2 3.48Å; R893-E896 IonicContact NE-OE1 2.74Å; R893-E896 PolarHBondContact NE-OE1 3.37Å; R893-E896 IonicContact NE-OE2 3.62Å; R893-E896 PolarHBondContact NE-OE2 3.31Å; R893-E896 IonicContact NH2-OE1 2.99Å; R893-E896 PolarHBondContact NH2-OE1 2.85Å; R893-E896 IonicContact NH2-OE2 2.92Å; R893-E896 PolarHBondContact NH2-OE2 3.27Å; R893-E896 WeakPolarHBondContact O-CB 3.25Å; R893-E896 WeakPolarHBondContact O-CG 3.24Å; R893-E896 PolarHBondContact O-N 2.66Å
894	C	88.2	Confident	88.8	Confident	22 Å²	22	72.7 Å²	72.7	15%	0.149	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-57.3	-27	-175.6	56.2	0	0	0	0	113.6	F890 E896 L897 I900	F890-C894 HydrophobicContact CE1-CB 4.47Å; F890-C894 HydrophobicContact CZ-CB 4.42Å; F890-C894 WeakPolarHBondContact O-CA 3.36Å; F890-C894 WeakPolarHBondContact O-CB 3.28Å; F890-C894 PolarHBondContact O-N 3.28Å; C894-E896 PolarHBondContact O-N 3.36Å; C894-L897 WeakPolarHBondContact O-CB 3.41Å; C894-L897 WeakPolarHBondContact O-CG 3.38Å; C894-L897 PolarHBondContact O-N 3.07Å; C894-L897 VanDerWaalsContact O-N 3.15Å; C894-I900 HydrophobicContact CB-CD1 3.63Å; C894-I900 HydrophobicContact CB-CG1 4.44Å; C894-I900 WeakPolarHBondContact O-CD1 3.04Å; C894-I900 VanDerWaalsContact O-CG1 3.3Å; C894-I900 WeakPolarHBondContact O-CG1 3.28Å
895	N	87.2	Confident	88.7	Confident	120 Å²	120	69.6 Å²	69.6	64%	0.642	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-63.1	-14.8	174.8	59.5	-44.9	0	0	0	114.4	R893 L897	R893-N895 WeakPolarHBondContact CA-OD1 3.4Å; R893-N895 PolarHBondContact O-N 2.8Å; R893-N895 PolarHBondContact O-OD1 3.06Å; N895-L897 VanDerWaalsContact C-N 3.31Å
896	E	86	Confident	88.6	Confident	84 Å²	84	66.1 Å²	66.1	39%	0.393	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-78.7	-12.9	174.6	-62.1	177.8	-162.6	0	0	113.1	R893 C894	R893-E896 HydrophobicContact CB-CG 4.46Å; R893-E896 IonicContact CZ-OE1 3.71Å; R893-E896 IonicContact CZ-OE2 3.48Å; R893-E896 IonicContact NE-OE1 2.74Å; R893-E896 PolarHBondContact NE-OE1 3.37Å; R893-E896 IonicContact NE-OE2 3.62Å; R893-E896 PolarHBondContact NE-OE2 3.31Å; R893-E896 IonicContact NH2-OE1 2.99Å; R893-E896 PolarHBondContact NH2-OE1 2.85Å; R893-E896 IonicContact NH2-OE2 2.92Å; R893-E896 PolarHBondContact NH2-OE2 3.27Å; R893-E896 WeakPolarHBondContact O-CB 3.25Å; R893-E896 WeakPolarHBondContact O-CG 3.24Å; R893-E896 PolarHBondContact O-N 2.66Å; C894-E896 PolarHBondContact O-N 3.36Å
897	L	85.9	Confident	88.5	Confident	8 Å²	8	66.1 Å²	66.1	4%	0.042	33%	0.333	C	S	.	.	S	Bend	trans	-79.9	137.7	-177.3	-58.6	172.9	0	0	0	111.9	D776 F777 F779 F853 F890 C894 N895 D899 I900 I903	D776-L897 HydrophobicContact CB-CD2 4.06Å; F777-L897 HydrophobicContact CB-CD2 3.97Å; F779-L897 HydrophobicContact CE1-CD2 4.19Å; F779-L897 HydrophobicContact CE1-CG 4.35Å; F779-L897 HydrophobicContact CZ-CD1 4.33Å; F779-L897 HydrophobicContact CZ-CD2 4.16Å; F779-L897 HydrophobicContact CZ-CG 4.36Å; F853-L897 HydrophobicContact CE2-CD1 4.31Å; F853-L897 HydrophobicContact CZ-CD1 4.13Å; F890-L897 HydrophobicContact CD2-CD1 4.16Å; F890-L897 HydrophobicContact CE2-CD1 3.57Å; F890-L897 HydrophobicContact CZ-CD1 4.44Å; C894-L897 WeakPolarHBondContact O-CB 3.41Å; C894-L897 WeakPolarHBondContact O-CG 3.38Å; C894-L897 PolarHBondContact O-N 3.07Å; C894-L897 VanDerWaalsContact O-N 3.15Å; N895-L897 VanDerWaalsContact C-N 3.31Å; L897-D899 VanDerWaalsContact C-N 3.31Å; L897-D899 PolarHBondContact O-N 3.33Å; L897-I900 HydrophobicContact CB-CB 4.24Å; L897-I900 HydrophobicContact CD1-CD1 4.46Å; L897-I900 WeakPolarHBondContact O-CG2 3.47Å; L897-I900 PolarHBondContact O-N 2.84Å; L897-I903 HydrophobicContact CD1-CD1 4.38Å
898	Q	81.2	Confident	88.5	Confident	173 Å²	173	70.6 Å²	70.6	81%	0.808	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-32.8	-177	-67.9	-177.6	1.6	0	0	113.7	D776	D776-Q898 PolarHBondContact OD2-N 3.46Å; D776-Q898 VanDerWaalsContact OD2-N 3.12Å
899	D	81.6	Confident	88.3	Confident	108 Å²	108	74 Å²	74	58%	0.578	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	24.7	-175.8	-72.2	-41.7	0	0	0	112.6	L897 E901 K902 I903	L897-D899 VanDerWaalsContact C-N 3.31Å; L897-D899 PolarHBondContact O-N 3.33Å; D899-E901 PolarHBondContact O-N 2.95Å; D899-K902 PolarHBondContact O-N 3.25Å; D899-K902 VanDerWaalsContact O-N 3.16Å; D899-I903 HydrophobicContact CB-CD1 4.32Å; D899-I903 WeakPolarHBondContact O-CG1 3.21Å; D899-I903 PolarHBondContact O-N 3.17Å; D899-I903 VanDerWaalsContact O-N 3.1Å
900	I	88.1	Confident	88	Confident	32 Å²	32	72.7 Å²	72.7	16%	0.164	35%	0.345	C	S	.	.	H	α-helix	trans	-57.6	-43.1	-171.1	-175.3	54.8	0	0	0	113.6	C894 L897 K902 I903 M904	C894-I900 HydrophobicContact CB-CD1 3.63Å; C894-I900 HydrophobicContact CB-CG1 4.44Å; C894-I900 WeakPolarHBondContact O-CD1 3.04Å; C894-I900 VanDerWaalsContact O-CG1 3.3Å; C894-I900 WeakPolarHBondContact O-CG1 3.28Å; L897-I900 HydrophobicContact CB-CB 4.24Å; L897-I900 HydrophobicContact CD1-CD1 4.46Å; L897-I900 WeakPolarHBondContact O-CG2 3.47Å; L897-I900 PolarHBondContact O-N 2.84Å; I900-K902 PolarHBondContact O-N 3.48Å; I900-I903 PolarHBondContact O-N 3.41Å; I900-I903 VanDerWaalsContact O-N 3.12Å; I900-M904 HydrophobicContact CD1-CG 3.61Å; I900-M904 HydrophobicContact CD1-SD 4.09Å; I900-M904 HydrophobicContact CG1-CG 3.93Å; I900-M904 WeakPolarHBondContact O-CB 3.45Å; I900-M904 WeakPolarHBondContact O-CG 3.46Å; I900-M904 PolarHBondContact O-N 2.84Å
901	E	84.8	Confident	87.8	Confident	172 Å²	172	74.6 Å²	74.6	80%	0.804	35%	0.354	S	S	*	.	H	α-helix	trans	-57.6	-40.2	-179.3	-64.9	-176.1	169.3	0	0	111.7	D899 A905	D899-E901 PolarHBondContact O-N 2.95Å; E901-A905 VanDerWaalsContact O-CB 3.32Å; E901-A905 WeakPolarHBondContact O-CB 3.15Å; E901-A905 PolarHBondContact O-N 3.4Å
902	K	87	Confident	87.6	Confident	154 Å²	154	74.5 Å²	74.5	67%	0.67	37%	0.366	S	S	*	.	H	α-helix	trans	-70.9	-41.9	178.7	-175.6	-178	177.6	-176.4	0	111.6	D899 I900 Q906	D899-K902 PolarHBondContact O-N 3.25Å; D899-K902 VanDerWaalsContact O-N 3.16Å; I900-K902 PolarHBondContact O-N 3.48Å; K902-Q906 PolarHBondContact O-N 2.77Å; K902-Q906 VanDerWaalsContact O-N 3.08Å
903	I	87.9	Confident	87.3	Confident	19 Å²	19	73.4 Å²	73.4	10%	0.097	36%	0.356	C	S	.	.	H	α-helix	trans	-64.5	-46.5	178.9	-67.1	164.7	0	0	0	110	F853 I857 F890 L897 D899 I900 Q906 I907	F853-I903 HydrophobicContact CE1-CD1 4.23Å; F853-I903 HydrophobicContact CZ-CD1 3.84Å; I857-I903 HydrophobicContact CD1-CG2 3.56Å; I857-I903 HydrophobicContact CG1-CG2 4.14Å; I857-I903 HydrophobicContact CG2-CG2 4.04Å; F890-I903 HydrophobicContact CZ-CG2 4.27Å; L897-I903 HydrophobicContact CD1-CD1 4.38Å; D899-I903 HydrophobicContact CB-CD1 4.32Å; D899-I903 WeakPolarHBondContact O-CG1 3.21Å; D899-I903 PolarHBondContact O-N 3.17Å; D899-I903 VanDerWaalsContact O-N 3.1Å; I900-I903 PolarHBondContact O-N 3.41Å; I900-I903 VanDerWaalsContact O-N 3.12Å; I903-Q906 WeakPolarHBondContact O-CB 3.45Å; I903-Q906 PolarHBondContact O-N 2.84Å; I903-Q906 VanDerWaalsContact O-N 3.14Å; I903-I907 HydrophobicContact CG2-CD1 4.01Å; I903-I907 WeakPolarHBondContact O-CG1 3.41Å; I903-I907 PolarHBondContact O-N 3.2Å
904	M	88.7	Confident	87	Confident	38 Å²	38	73 Å²	73	19%	0.187	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-48.5	176.7	-71.7	-56.7	-65.3	0	0	111.6	W891 I900 Q906 I907 E908	W891-M904 HydrophobicContact CH2-SD 4.47Å; W891-M904 HydrophobicContact CZ3-CE 4.11Å; W891-M904 HydrophobicContact CZ3-SD 3.78Å; I900-M904 HydrophobicContact CD1-CG 3.61Å; I900-M904 HydrophobicContact CD1-SD 4.09Å; I900-M904 HydrophobicContact CG1-CG 3.93Å; I900-M904 WeakPolarHBondContact O-CB 3.45Å; I900-M904 WeakPolarHBondContact O-CG 3.46Å; I900-M904 PolarHBondContact O-N 2.84Å; M904-Q906 PolarHBondContact O-N 3.43Å; M904-I907 PolarHBondContact O-N 2.8Å; M904-I907 VanDerWaalsContact O-N 3.14Å; M904-E908 WeakPolarHBondContact O-CB 3.45Å; M904-E908 VanDerWaalsContact O-CG 3.3Å; M904-E908 WeakPolarHBondContact O-CG 3.4Å; M904-E908 PolarHBondContact O-N 3.05Å
905	A	88.7	Confident	86.9	Confident	39 Å²	39	78 Å²	78	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-61	-28.4	177.3	0	0	0	0	0	113.1	E901 R909	E901-A905 VanDerWaalsContact O-CB 3.32Å; E901-A905 WeakPolarHBondContact O-CB 3.15Å; E901-A905 PolarHBondContact O-N 3.4Å; A905-R909 VanDerWaalsContact O-CB 3.24Å; A905-R909 WeakPolarHBondContact O-CB 3.44Å; A905-R909 PolarHBondContact O-N 2.72Å
906	Q	90	Very high	86.8	Confident	53 Å²	53	77.3 Å²	77.3	25%	0.248	37%	0.367	C	S	.	.	H	α-helix	trans	-71.7	-49.7	173.8	-178	179.2	-12.8	0	0	111.3	E861 K902 I903 M904 R909 G910	E861-Q906 HydrophobicContact CB-CG 4.47Å; E861-Q906 HydrophobicContact CG-CG 4.32Å; E861-Q906 WeakPolarHBondContact OE2-CG 3.49Å; E861-Q906 PolarHBondContact OE2-NE2 3.33Å; K902-Q906 PolarHBondContact O-N 2.77Å; K902-Q906 VanDerWaalsContact O-N 3.08Å; I903-Q906 WeakPolarHBondContact O-CB 3.45Å; I903-Q906 PolarHBondContact O-N 2.84Å; I903-Q906 VanDerWaalsContact O-N 3.14Å; M904-Q906 PolarHBondContact O-N 3.43Å; Q906-R909 PolarHBondContact O-N 2.88Å; Q906-G910 PolarHBondContact O-N 3.48Å; Q906-G910 VanDerWaalsContact O-N 3.1Å
907	I	89.8	Confident	86.6	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-63.7	-47.6	-179.5	-63.1	170.9	0	0	0	110.6	I857 N860 W891 I903 M904 R909 G910 E911	I857-I907 HydrophobicContact CD1-CD1 4.32Å; I857-I907 HydrophobicContact CG2-CG1 4.48Å; N860-I907 HydrophobicContact CB-CD1 3.98Å; N860-I907 HydrophobicContact CB-CG1 4.03Å; N860-I907 HydrophobicContact CB-CG2 4.21Å; W891-I907 HydrophobicContact CH2-CD1 3.8Å; W891-I907 HydrophobicContact CH2-CG2 4.23Å; W891-I907 HydrophobicContact CZ2-CD1 4.34Å; I903-I907 HydrophobicContact CG2-CD1 4.01Å; I903-I907 WeakPolarHBondContact O-CG1 3.41Å; I903-I907 PolarHBondContact O-N 3.2Å; M904-I907 PolarHBondContact O-N 2.8Å; M904-I907 VanDerWaalsContact O-N 3.14Å; I907-R909 VanDerWaalsContact C-N 3.27Å; I907-R909 PolarHBondContact O-N 2.7Å; I907-G910 WeakPolarHBondContact O-CA 3.37Å; I907-G910 PolarHBondContact O-N 2.88Å; I907-E911 HydrophobicContact CG2-CG 4.36Å; I907-E911 WeakPolarHBondContact O-CG 3.45Å; I907-E911 PolarHBondContact O-N 3.18Å
908	E	91.4	Very high	86.6	Confident	99 Å²	99	83.5 Å²	83.5	46%	0.463	39%	0.392	S	S	.	.	H	α-helix	trans	-61	-35.6	178.8	-71.1	174.5	175.8	0	0	112.4	M904 E911 A912	M904-E908 WeakPolarHBondContact O-CB 3.45Å; M904-E908 VanDerWaalsContact O-CG 3.3Å; M904-E908 WeakPolarHBondContact O-CG 3.4Å; M904-E908 PolarHBondContact O-N 3.05Å; E908-E911 PolarHBondContact O-N 3.24Å; E908-A912 VanDerWaalsContact O-CB 3.28Å; E908-A912 WeakPolarHBondContact O-CB 3.01Å; E908-A912 PolarHBondContact O-N 2.69Å
909	R	87.7	Confident	86.9	Confident	135 Å²	135	77.5 Å²	77.5	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-66.6	-39.5	173.9	-172.6	-174.7	-60.5	118.5	2.1	111.4	A905 Q906 I907 R913	A905-R909 VanDerWaalsContact O-CB 3.24Å; A905-R909 WeakPolarHBondContact O-CB 3.44Å; A905-R909 PolarHBondContact O-N 2.72Å; Q906-R909 PolarHBondContact O-N 2.88Å; I907-R909 VanDerWaalsContact C-N 3.27Å; I907-R909 PolarHBondContact O-N 2.7Å; R909-R913 WeakPolarHBondContact O-CG 3.16Å; R909-R913 PolarHBondContact O-N 3.26Å
910	G	86.6	Confident	87.2	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-59.4	-52.2	172.4	0	0	0	0	0	111.9	E861 Q906 I907 A912 R913 I914	E861-G910 CarbonylContact O-C 3.55Å; E861-G910 WeakPolarHBondContact O-CA 3.41Å; Q906-G910 PolarHBondContact O-N 3.48Å; Q906-G910 VanDerWaalsContact O-N 3.1Å; I907-G910 WeakPolarHBondContact O-CA 3.37Å; I907-G910 PolarHBondContact O-N 2.88Å; G910-A912 VanDerWaalsContact C-N 3.35Å; G910-A912 PolarHBondContact O-N 3.21Å; G910-R913 WeakPolarHBondContact O-CA 3.39Å; G910-R913 WeakPolarHBondContact O-CB 3.18Å; G910-R913 PolarHBondContact O-N 3.36Å; G910-I914 WeakPolarHBondContact O-CG1 3.29Å; G910-I914 PolarHBondContact O-N 3.38Å
911	E	89.5	Confident	87.1	Confident	40 Å²	40	77.3 Å²	77.3	19%	0.187	36%	0.362	C	S	.	.	H	α-helix	trans	-59.8	-41.7	177.5	-70.4	175.9	162.6	0	0	112.5	R865 I907 E908 R913 I914 Q915	R865-E911 VanDerWaalsContact CB-OE1 3.3Å; R865-E911 WeakPolarHBondContact CB-OE1 3.47Å; R865-E911 WeakPolarHBondContact CG-OE1 3.4Å; R865-E911 IonicContact CZ-OE1 2.73Å; R865-E911 IonicContact CZ-OE2 3.8Å; R865-E911 PolarHBondContact N-OE1 3.09Å; R865-E911 IonicContact NE-OE1 3.25Å; R865-E911 PolarHBondContact NE-OE1 3.38Å; R865-E911 IonicContact NE-OE2 3.73Å; R865-E911 PolarHBondContact NE-OE2 3.29Å; R865-E911 IonicContact NH2-OE1 2.67Å; R865-E911 IonicContact NH2-OE2 3.18Å; R865-E911 PolarHBondContact NH2-OE2 3.3Å; I907-E911 HydrophobicContact CG2-CG 4.36Å; I907-E911 WeakPolarHBondContact O-CG 3.45Å; I907-E911 PolarHBondContact O-N 3.18Å; E908-E911 PolarHBondContact O-N 3.24Å; E911-R913 VanDerWaalsContact C-N 3.27Å; E911-R913 PolarHBondContact O-N 2.69Å; E911-I914 PolarHBondContact O-N 2.93Å; E911-I914 VanDerWaalsContact O-N 3.15Å; E911-Q915 WeakPolarHBondContact O-CB 3.4Å; E911-Q915 PolarHBondContact O-N 3.35Å
912	A	86.5	Confident	87.3	Confident	61 Å²	61	76.5 Å²	76.5	50%	0.504	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-36.2	174.8	0	0	0	0	0	112.2	E908 G910 R916	E908-A912 VanDerWaalsContact O-CB 3.28Å; E908-A912 WeakPolarHBondContact O-CB 3.01Å; E908-A912 PolarHBondContact O-N 2.69Å; G910-A912 VanDerWaalsContact C-N 3.35Å; G910-A912 PolarHBondContact O-N 3.21Å; A912-R916 WeakPolarHBondContact O-CB 3.39Å; A912-R916 PolarHBondContact O-N 2.87Å
913	R	85.1	Confident	87.4	Confident	131 Å²	131	69.6 Å²	69.6	49%	0.494	33%	0.327	S	S	.	.	H	α-helix	trans	-67.8	-43	174.3	-68.2	167.6	-177.4	157.7	1	111.2	E861 R909 G910 E911 R916 R917	E861-R913 IonicContact OE1-NH1 2.67Å; E861-R913 PolarHBondContact OE1-NH1 2.75Å; R909-R913 WeakPolarHBondContact O-CG 3.16Å; R909-R913 PolarHBondContact O-N 3.26Å; G910-R913 WeakPolarHBondContact O-CA 3.39Å; G910-R913 WeakPolarHBondContact O-CB 3.18Å; G910-R913 PolarHBondContact O-N 3.36Å; E911-R913 VanDerWaalsContact C-N 3.27Å; E911-R913 PolarHBondContact O-N 2.69Å; R913-R916 PolarHBondContact O-N 3.41Å; R913-R917 WeakPolarHBondContact O-CG 3.34Å; R913-R917 PolarHBondContact O-N 3.39Å
914	I	85.6	Confident	87.5	Confident	44 Å²	44	68.9 Å²	68.9	23%	0.226	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-49.9	177.3	-62.1	167.1	0	0	0	109.8	K862 G910 E911 R916 R917 I918	K862-I914 WeakPolarHBondContact O-CD1 3.48Å; G910-I914 WeakPolarHBondContact O-CG1 3.29Å; G910-I914 PolarHBondContact O-N 3.38Å; E911-I914 PolarHBondContact O-N 2.93Å; E911-I914 VanDerWaalsContact O-N 3.15Å; I914-R916 VanDerWaalsContact C-N 3.3Å; I914-R916 PolarHBondContact O-N 3.31Å; I914-R917 WeakPolarHBondContact O-CB 3.18Å; I914-R917 PolarHBondContact O-N 2.92Å; I914-R917 VanDerWaalsContact O-N 3.09Å; I914-I918 HydrophobicContact CG2-CD1 4.07Å; I914-I918 WeakPolarHBondContact O-CG1 3.35Å; I914-I918 PolarHBondContact O-N 3.23Å
915	Q	85.9	Confident	87.6	Confident	126 Å²	126	70.2 Å²	70.2	59%	0.589	33%	0.331	S	S	*	.	H	α-helix	trans	-61.4	-39.3	178.5	-171.5	61.8	10.8	0	0	112	E911 I918 S919	E911-Q915 WeakPolarHBondContact O-CB 3.4Å; E911-Q915 PolarHBondContact O-N 3.35Å; Q915-I918 PolarHBondContact O-N 2.96Å; Q915-S919 WeakPolarHBondContact O-CB 3.43Å; Q915-S919 PolarHBondContact O-N 3.15Å
916	R	84.5	Confident	87.6	Confident	107 Å²	107	70.2 Å²	70.2	40%	0.404	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-43.3	174	-173.1	65.6	-179.8	162.5	9.5	111.5	A912 R913 I914 I918 S919 I920 E1012	A912-R916 WeakPolarHBondContact O-CB 3.39Å; A912-R916 PolarHBondContact O-N 2.87Å; R913-R916 PolarHBondContact O-N 3.41Å; I914-R916 VanDerWaalsContact C-N 3.3Å; I914-R916 PolarHBondContact O-N 3.31Å; R916-I918 PolarHBondContact O-N 3.23Å; R916-S919 PolarHBondContact O-N 3.27Å; R916-I920 HydrophobicContact CG-CD1 3.91Å; R916-I920 HydrophobicContact CG-CG1 4.44Å; R916-I920 WeakPolarHBondContact O-CG1 3.45Å; R916-I920 PolarHBondContact O-N 3.47Å; R916-E1012 IonicContact CZ-OE1 2.84Å; R916-E1012 IonicContact CZ-OE2 3.36Å; R916-E1012 VanDerWaalsContact CZ-OE2 3.25Å; R916-E1012 VanDerWaalsContact NH1-CD 3.34Å; R916-E1012 IonicContact NH1-OE1 3.02Å; R916-E1012 PolarHBondContact NH1-OE1 3.34Å; R916-E1012 IonicContact NH1-OE2 3.18Å; R916-E1012 PolarHBondContact NH1-OE2 2.87Å; R916-E1012 IonicContact NH2-OE1 3.29Å; R916-E1012 IonicContact NH2-OE2 2.63Å; R916-E1012 PolarHBondContact NH2-OE2 3.43Å
917	R	83.2	Confident	87.6	Confident	127 Å²	127	67.7 Å²	67.7	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-44.5	176	-72.2	172.6	-178.3	-178	-0.5	111.6	R913 I914 I920 K921 F967	R913-R917 WeakPolarHBondContact O-CG 3.34Å; R913-R917 PolarHBondContact O-N 3.39Å; I914-R917 WeakPolarHBondContact O-CB 3.18Å; I914-R917 PolarHBondContact O-N 2.92Å; I914-R917 VanDerWaalsContact O-N 3.09Å; R917-I920 PolarHBondContact O-N 2.94Å; R917-K921 WeakPolarHBondContact O-CB 3.42Å; R917-K921 PolarHBondContact O-N 2.75Å; R917-F967 HydrophobicContact CG-CD1 4.2Å; R917-F967 HydrophobicContact CG-CE1 4.19Å
918	I	85.8	Confident	87.7	Confident	95 Å²	95	68.9 Å²	68.9	49%	0.487	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-45.8	177.2	-64.1	168.3	0	0	0	110.8	I914 Q915 R916 I920 K921 K922	I914-I918 HydrophobicContact CG2-CD1 4.07Å; I914-I918 WeakPolarHBondContact O-CG1 3.35Å; I914-I918 PolarHBondContact O-N 3.23Å; Q915-I918 PolarHBondContact O-N 2.96Å; R916-I918 PolarHBondContact O-N 3.23Å; I918-I920 PolarHBondContact O-N 2.83Å; I918-K921 PolarHBondContact O-N 2.86Å; I918-K922 WeakPolarHBondContact O-CB 3.29Å; I918-K922 PolarHBondContact O-N 2.84Å
919	S	86.9	Confident	87.6	Confident	46 Å²	46	68.3 Å²	68.3	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-56.9	-48.9	176.2	-179.7	0	0	0	0	112	Q915 R916 K921 K922 A923 E1012	Q915-S919 WeakPolarHBondContact O-CB 3.43Å; Q915-S919 PolarHBondContact O-N 3.15Å; R916-S919 PolarHBondContact O-N 3.27Å; S919-K921 PolarHBondContact O-N 2.84Å; S919-K922 PolarHBondContact O-N 2.88Å; S919-A923 WeakPolarHBondContact O-CB 3.38Å; S919-A923 PolarHBondContact O-N 3.47Å; S919-E1012 PolarHBondContact OG-OE1 2.94Å
920	I	86.8	Confident	87.7	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-46.8	-178.3	-68.3	174.6	0	0	0	110.4	R916 R917 I918 K922 A923 L924 F967 I1008	R916-I920 HydrophobicContact CG-CD1 3.91Å; R916-I920 HydrophobicContact CG-CG1 4.44Å; R916-I920 WeakPolarHBondContact O-CG1 3.45Å; R916-I920 PolarHBondContact O-N 3.47Å; R917-I920 PolarHBondContact O-N 2.94Å; I918-I920 PolarHBondContact O-N 2.83Å; I920-K922 PolarHBondContact O-N 2.94Å; I920-A923 PolarHBondContact O-N 3.42Å; I920-L924 HydrophobicContact CG2-CD1 3.9Å; I920-L924 HydrophobicContact CG2-CG 4.3Å; I920-L924 WeakPolarHBondContact O-CB 3.36Å; I920-L924 WeakPolarHBondContact O-CG 3.49Å; I920-L924 PolarHBondContact O-N 3.21Å; I920-F967 HydrophobicContact CD1-CD1 4.39Å; I920-F967 HydrophobicContact CD1-CE1 3.69Å; I920-F967 HydrophobicContact CD1-CE2 4.13Å; I920-F967 HydrophobicContact CD1-CZ 3.54Å; I920-F967 HydrophobicContact CG2-CD1 4.31Å; I920-F967 HydrophobicContact CG2-CD2 4.02Å; I920-F967 HydrophobicContact CG2-CE2 4.24Å; I920-F967 HydrophobicContact CG2-CG 4.05Å; I920-I1008 HydrophobicContact CB-CG2 4.41Å; I920-I1008 HydrophobicContact CD1-CD1 4.4Å; I920-I1008 HydrophobicContact CD1-CG2 4.19Å; I920-I1008 HydrophobicContact CG1-CG2 3.73Å; I920-I1008 HydrophobicContact CG2-CD1 3.78Å; I920-I1008 HydrophobicContact CG2-CG1 4.22Å; I920-I1008 HydrophobicContact CG2-CG2 4.13Å
921	K	87	Confident	87.9	Confident	135 Å²	135	69 Å²	69	59%	0.587	34%	0.34	S	S	*	.	H	α-helix	trans	-57.4	-50.7	177.6	-175.9	175.9	178.8	178.3	0	111	R917 I918 S919 A923 L924 D925	R917-K921 WeakPolarHBondContact O-CB 3.42Å; R917-K921 PolarHBondContact O-N 2.75Å; I918-K921 PolarHBondContact O-N 2.86Å; S919-K921 PolarHBondContact O-N 2.84Å; K921-A923 VanDerWaalsContact C-N 3.31Å; K921-A923 PolarHBondContact O-N 3.32Å; K921-L924 PolarHBondContact O-N 3.46Å; K921-D925 WeakPolarHBondContact O-CB 3.48Å; K921-D925 VanDerWaalsContact O-CG 3.29Å; K921-D925 PolarHBondContact O-N 2.91Å
922	K	89.3	Confident	87.7	Confident	155 Å²	155	77.1 Å²	77.1	67%	0.674	38%	0.375	S	S	*	.	H	α-helix	trans	-58.3	-41.6	176.7	-174.8	179.1	178.7	-176.9	0	112.2	I918 S919 I920 A926	I918-K922 WeakPolarHBondContact O-CB 3.29Å; I918-K922 PolarHBondContact O-N 2.84Å; S919-K922 PolarHBondContact O-N 2.88Å; I920-K922 PolarHBondContact O-N 2.94Å; K922-A926 VanDerWaalsContact O-CB 3.29Å; K922-A926 WeakPolarHBondContact O-CB 3.34Å; K922-A926 PolarHBondContact O-N 3.43Å
923	A	89.5	Confident	87.9	Confident	8 Å²	8	76 Å²	76	7%	0.066	37%	0.365	C	S	.	.	H	α-helix	trans	-67	-42.1	-179.7	0	0	0	0	0	112.2	S919 I920 K921 K927 I1011 E1012 N1015	S919-A923 WeakPolarHBondContact O-CB 3.38Å; S919-A923 PolarHBondContact O-N 3.47Å; I920-A923 PolarHBondContact O-N 3.42Å; K921-A923 VanDerWaalsContact C-N 3.31Å; K921-A923 PolarHBondContact O-N 3.32Å; A923-K927 WeakPolarHBondContact O-CB 3.37Å; A923-K927 PolarHBondContact O-N 2.84Å; A923-I1011 HydrophobicContact CB-CG2 4.37Å; A923-I1011 WeakPolarHBondContact O-CG2 3.45Å; A923-E1012 HydrophobicContact CB-CG 3.72Å; A923-N1015 WeakPolarHBondContact CA-ND2 3.4Å; A923-N1015 PolarHBondContact O-ND2 3.12Å
924	L	89.7	Confident	88	Confident	4 Å²	4	71 Å²	71	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-68.5	-44.6	176.6	-68.5	178.6	0	0	0	111.8	I920 K921 A926 K927 I928 I959 I1008 I1011	I920-L924 HydrophobicContact CG2-CD1 3.9Å; I920-L924 HydrophobicContact CG2-CG 4.3Å; I920-L924 WeakPolarHBondContact O-CB 3.36Å; I920-L924 WeakPolarHBondContact O-CG 3.49Å; I920-L924 PolarHBondContact O-N 3.21Å; K921-L924 PolarHBondContact O-N 3.46Å; L924-A926 PolarHBondContact O-N 2.95Å; L924-K927 PolarHBondContact O-N 3.46Å; L924-I928 WeakPolarHBondContact O-CB 3.44Å; L924-I928 PolarHBondContact O-N 2.75Å; L924-I959 HydrophobicContact CD2-CD1 4.22Å; L924-I959 HydrophobicContact CD2-CG2 3.94Å; L924-I1008 HydrophobicContact CD2-CG1 4.43Å; L924-I1011 HydrophobicContact CD2-CD1 3.99Å
925	D	90.1	Very high	88.2	Confident	67 Å²	67	72.4 Å²	72.4	36%	0.358	36%	0.355	S	S	.	.	H	α-helix	trans	-57.5	-49.6	175.8	-75.4	-27.8	0	0	0	110.9	K921 K927 I928 A929 H963	K921-D925 WeakPolarHBondContact O-CB 3.48Å; K921-D925 VanDerWaalsContact O-CG 3.29Å; K921-D925 PolarHBondContact O-N 2.91Å; D925-K927 VanDerWaalsContact C-N 3.31Å; D925-K927 PolarHBondContact O-N 2.77Å; D925-I928 PolarHBondContact O-N 3.35Å; D925-A929 VanDerWaalsContact O-CB 3.26Å; D925-A929 WeakPolarHBondContact O-CB 3.44Å; D925-A929 PolarHBondContact O-N 3.46Å; D925-H963 IonicContact OD1-CD2 3.49Å; D925-H963 PolarHBondContact OD1-CD2 3.23Å; D925-H963 IonicContact OD1-CE1 2.7Å; D925-H963 IonicContact OD1-NE2 3.47Å; D925-H963 PolarHBondContact OD1-NE2 3.34Å
926	A	89.7	Confident	88.3	Confident	39 Å²	39	73.6 Å²	73.6	32%	0.322	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-39	177.8	0	0	0	0	0	112.3	K922 L924 R930	K922-A926 VanDerWaalsContact O-CB 3.29Å; K922-A926 WeakPolarHBondContact O-CB 3.34Å; K922-A926 PolarHBondContact O-N 3.43Å; L924-A926 PolarHBondContact O-N 2.95Å; A926-R930 WeakPolarHBondContact O-CG 3.47Å
927	K	90.1	Very high	88.5	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-68.4	-43.3	178.8	-177.9	62.7	178.6	177.3	0	111.8	A923 L924 D925 R930 Y931 L938 R939 I1011 E1014	A923-K927 WeakPolarHBondContact O-CB 3.37Å; A923-K927 PolarHBondContact O-N 2.84Å; L924-K927 PolarHBondContact O-N 3.46Å; D925-K927 VanDerWaalsContact C-N 3.31Å; D925-K927 PolarHBondContact O-N 2.77Å; K927-R930 PolarHBondContact O-N 2.74Å; K927-Y931 HydrophobicContact CD-CE2 4.23Å; K927-Y931 PolarHBondContact NZ-OH 3.34Å; K927-Y931 VanDerWaalsContact O-CD2 3.24Å; K927-Y931 WeakPolarHBondContact O-CD2 3.45Å; K927-Y931 WeakPolarHBondContact O-CE2 3.47Å; K927-L938 HydrophobicContact CG-CD1 4.18Å; K927-R939 VanDerWaalsContact CE-O 3.29Å; K927-R939 WeakPolarHBondContact CE-O 3.48Å; K927-R939 PolarHBondContact NZ-O 3.29Å; K927-I1011 HydrophobicContact CB-CG2 3.61Å; K927-I1011 HydrophobicContact CD-CG1 4.45Å; K927-I1011 HydrophobicContact CD-CG2 4.28Å; K927-I1011 HydrophobicContact CG-CD1 4.19Å; K927-I1011 HydrophobicContact CG-CG1 4.17Å; K927-I1011 HydrophobicContact CG-CG2 3.9Å; K927-E1014 IonicContact NZ-OE1 2.71Å; K927-E1014 PolarHBondContact NZ-OE1 2.86Å; K927-E1014 IonicContact NZ-OE2 3.74Å; K927-E1014 PolarHBondContact NZ-OE2 3.17Å
928	I	89.9	Confident	88.8	Confident	24 Å²	24	67 Å²	67	12%	0.123	34%	0.339	C	S	.	.	H	α-helix	trans	-73	-38	-177.1	-77.5	167.4	0	0	0	111.4	L924 D925 R930 Y931 P934 L938 H963	L924-I928 WeakPolarHBondContact O-CB 3.44Å; L924-I928 PolarHBondContact O-N 2.75Å; D925-I928 PolarHBondContact O-N 3.35Å; I928-R930 PolarHBondContact O-N 2.87Å; I928-R930 VanDerWaalsContact O-N 3.08Å; I928-Y931 PolarHBondContact O-N 3.2Å; I928-P934 HydrophobicContact CG2-CB 4.36Å; I928-P934 HydrophobicContact CG2-CG 3.76Å; I928-L938 HydrophobicContact CG1-CD1 4.03Å; I928-H963 HydrophobicContact CD1-CB 3.21Å; I928-H963 VanDerWaalsContact CD1-ND1 3.32Å; I928-H963 WeakPolarHBondContact CD1-ND1 3.23Å
929	A	90.3	Very high	89	Confident	87 Å²	87	70.7 Å²	70.7	72%	0.719	35%	0.347	S	S	*	.	H	α-helix	trans	-59.3	-21	177	0	0	0	0	0	114	D925 Y931	D925-A929 VanDerWaalsContact O-CB 3.26Å; D925-A929 WeakPolarHBondContact O-CB 3.44Å; D925-A929 PolarHBondContact O-N 3.46Å; A929-Y931 VanDerWaalsContact C-N 3.27Å; A929-Y931 PolarHBondContact O-N 2.72Å
930	R	89.9	Confident	89	Confident	95 Å²	95	68.9 Å²	68.9	36%	0.358	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.3	176.8	-68.9	175.2	-172.9	145.4	13.2	114.1	A926 K927 I928 E1014 N1015	A926-R930 WeakPolarHBondContact O-CG 3.47Å; K927-R930 PolarHBondContact O-N 2.74Å; I928-R930 PolarHBondContact O-N 2.87Å; I928-R930 VanDerWaalsContact O-N 3.08Å; R930-E1014 IonicContact NH1-OE1 2.7Å; R930-E1014 PolarHBondContact NH1-OE1 2.71Å; R930-N1015 PolarHBondContact NH1-OD1 3Å; R930-N1015 PolarHBondContact NH2-OD1 3.36Å
931	Y	90.5	Very high	88.9	Confident	55 Å²	55	73.7 Å²	73.7	22%	0.216	36%	0.356	C	S	.	.			trans	-123.2	129.4	-173.8	-56.8	-83.6	0	0	0	110.7	K927 I928 A929 A933 Q937 L938 R939	K927-Y931 HydrophobicContact CD-CE2 4.23Å; K927-Y931 PolarHBondContact NZ-OH 3.34Å; K927-Y931 VanDerWaalsContact O-CD2 3.24Å; K927-Y931 WeakPolarHBondContact O-CD2 3.45Å; K927-Y931 WeakPolarHBondContact O-CE2 3.47Å; I928-Y931 PolarHBondContact O-N 3.2Å; A929-Y931 VanDerWaalsContact C-N 3.27Å; A929-Y931 PolarHBondContact O-N 2.72Å; Y931-A933 VanDerWaalsContact C-N 3.33Å; Y931-A933 PolarHBondContact O-N 2.8Å; Y931-Q937 HydrophobicContact CD1-CB 3.94Å; Y931-Q937 WeakPolarHBondContact CD1-O 3.26Å; Y931-Q937 WeakPolarHBondContact CE1-O 3.13Å; Y931-Q937 HydrophobicContact CG-CB 4.5Å; Y931-L938 HydrophobicContact CD2-CB 3.99Å; Y931-L938 HydrophobicContact CD2-CD1 4.38Å; Y931-L938 HydrophobicContact CD2-CG 4.04Å; Y931-L938 HydrophobicContact CE2-CB 4.18Å; Y931-L938 HydrophobicContact CE2-CG 3.93Å; Y931-L938 HydrophobicContact CG-CB 4.28Å; Y931-R939 PolarHBondContact OH-O 3.45Å
932	K	85.9	Confident	88.8	Confident	212 Å²	212	68.2 Å²	68.2	92%	0.922	33%	0.332	S	S	*	.	S	Bend	trans	-67.4	-35	176.1	-69.6	-174.1	178	-177.1	0	112.2
933	A	89.9	Confident	88.1	Confident	36 Å²	36	64.2 Å²	64.2	30%	0.298	34%	0.335	S	S	.	.	S	Bend	trans	-127.1	79.3	176.7	0	0	0	0	0	110.8	Y931 F935 H936 Q937	Y931-A933 VanDerWaalsContact C-N 3.33Å; Y931-A933 PolarHBondContact O-N 2.8Å; A933-F935 PolarHBondContact O-N 3.04Å; A933-H936 PolarHBondContact O-N 3.35Å; A933-Q937 HydrophobicContact CB-CG 4.24Å; A933-Q937 VanDerWaalsContact N-OE1 3.11Å; A933-Q937 WeakPolarHBondContact O-CB 3.41Å; A933-Q937 PolarHBondContact O-N 2.96Å
934	P	88.4	Confident	87.3	Confident	26 Å²	26	71.1 Å²	71.1	17%	0.169	38%	0.377	C	S	.	.	H	α-helix	trans	-54.1	-44.7	-171.3	-26.6	33.5	0	0	0	114	I928 H936 Q937 L938 R956	I928-P934 HydrophobicContact CG2-CB 4.36Å; I928-P934 HydrophobicContact CG2-CG 3.76Å; P934-H936 PolarHBondContact O-N 2.94Å; P934-Q937 PolarHBondContact O-N 3.14Å; P934-L938 HydrophobicContact CB-CB 4.5Å; P934-L938 HydrophobicContact CB-CD1 4.43Å; P934-L938 WeakPolarHBondContact O-CB 3.47Å; P934-L938 PolarHBondContact O-N 3.24Å; P934-R956 WeakPolarHBondContact O-CD 3.45Å
935	F	89.4	Confident	86.2	Confident	74 Å²	74	74 Å²	74	33%	0.325	40%	0.397	S	S	.	.	H	α-helix	trans	-60	-21	179.4	-78.6	-83.3	0	0	0	114.7	A933 R956 F957 C960 M961	A933-F935 PolarHBondContact O-N 3.04Å; F935-R956 VanDerWaalsContact C-CD 3.47Å; F935-R956 WeakPolarHBondContact O-CD 3.36Å; F935-F957 HydrophobicContact CD1-CD2 4.24Å; F935-F957 HydrophobicContact CE1-CD2 4.02Å; F935-F957 HydrophobicContact CE1-CE2 4.33Å; F935-C960 HydrophobicContact CD1-CB 3.7Å; F935-C960 HydrophobicContact CD2-CB 4.05Å; F935-C960 HydrophobicContact CE1-CB 3.37Å; F935-C960 HydrophobicContact CE2-CB 3.74Å; F935-C960 HydrophobicContact CG-CB 4.04Å; F935-C960 HydrophobicContact CZ-CB 3.39Å; F935-M961 HydrophobicContact CE1-CE 4.06Å; F935-M961 HydrophobicContact CZ-CE 4.08Å
936	H	87.6	Confident	84.8	Confident	152 Å²	152	77.1 Å²	77.1	70%	0.704	41%	0.407	S	S	*	.	H	α-helix	trans	-113.8	-23.6	-178.7	-60.3	90.1	0	0	0	113.4	A933 P934 R956	A933-H936 PolarHBondContact O-N 3.35Å; P934-H936 PolarHBondContact O-N 2.94Å; H936-R956 PolarHBondContact O-NH1 3.08Å
937	Q	89	Confident	83.5	Confident	96 Å²	96	76.8 Å²	76.8	45%	0.449	41%	0.408	S	S	.	.	H	α-helix	trans	-114.4	-21.8	-170	-63.8	177.6	-22	0	0	114	Y931 A933 P934 R939	Y931-Q937 HydrophobicContact CD1-CB 3.94Å; Y931-Q937 WeakPolarHBondContact CD1-O 3.26Å; Y931-Q937 WeakPolarHBondContact CE1-O 3.13Å; Y931-Q937 HydrophobicContact CG-CB 4.5Å; A933-Q937 HydrophobicContact CB-CG 4.24Å; A933-Q937 VanDerWaalsContact N-OE1 3.11Å; A933-Q937 WeakPolarHBondContact O-CB 3.41Å; A933-Q937 PolarHBondContact O-N 2.96Å; P934-Q937 PolarHBondContact O-N 3.14Å; Q937-R939 PolarHBondContact O-N 2.87Å
938	L	90.2	Very high	82.5	Confident	0 Å²	0	86.8 Å²	86.8	0%	0	45%	0.452	C	S	.	.			trans	-64.4	120.2	-173.9	-177.4	157.7	0	0	0	110	K927 I928 Y931 P934 I940 R956 I959	K927-L938 HydrophobicContact CG-CD1 4.18Å; I928-L938 HydrophobicContact CG1-CD1 4.03Å; Y931-L938 HydrophobicContact CD2-CB 3.99Å; Y931-L938 HydrophobicContact CD2-CD1 4.38Å; Y931-L938 HydrophobicContact CD2-CG 4.04Å; Y931-L938 HydrophobicContact CE2-CB 4.18Å; Y931-L938 HydrophobicContact CE2-CG 3.93Å; Y931-L938 HydrophobicContact CG-CB 4.28Å; P934-L938 HydrophobicContact CB-CB 4.5Å; P934-L938 HydrophobicContact CB-CD1 4.43Å; P934-L938 WeakPolarHBondContact O-CB 3.47Å; P934-L938 PolarHBondContact O-N 3.24Å; L938-I940 HydrophobicContact CD2-CD1 4.2Å; L938-I940 HydrophobicContact CD2-CG1 3.65Å; L938-R956 HydrophobicContact CB-CG 4.12Å; L938-R956 HydrophobicContact CD2-CG 4.3Å; L938-R956 VanDerWaalsContact O-CZ 3.3Å; L938-R956 PolarHBondContact O-NE 3.41Å; L938-R956 PolarHBondContact O-NH2 2.63Å; L938-I959 HydrophobicContact CD1-CG2 4.32Å
939	R	88.8	Confident	82.1	Confident	172 Å²	172	91 Å²	91	65%	0.649	47%	0.474	S	S	*	.			trans	-108.8	140.4	176.3	-66.2	-168.1	177.3	-147.3	-0.7	109.8	K927 Y931 Q937	K927-R939 VanDerWaalsContact CE-O 3.29Å; K927-R939 WeakPolarHBondContact CE-O 3.48Å; K927-R939 PolarHBondContact NZ-O 3.29Å; Y931-R939 PolarHBondContact OH-O 3.45Å; Q937-R939 PolarHBondContact O-N 2.87Å
940	I	87.3	Confident	82	Confident	8 Å²	8	88.5 Å²	88.5	4%	0.041	45%	0.447	C	S	.	.			trans	-107.5	127.3	-179.5	-58.7	175.6	0	0	0	108.4	L938 Y942 D955 I959 L1007 L1010	L938-I940 HydrophobicContact CD2-CD1 4.2Å; L938-I940 HydrophobicContact CD2-CG1 3.65Å; I940-Y942 HydrophobicContact CB-CE1 4.14Å; I940-Y942 HydrophobicContact CB-CE2 4.24Å; I940-Y942 HydrophobicContact CG2-CD1 4.2Å; I940-Y942 HydrophobicContact CG2-CE1 3.91Å; I940-Y942 VanDerWaalsContact O-CD2 3.23Å; I940-Y942 WeakPolarHBondContact O-CD2 3.46Å; I940-Y942 VanDerWaalsContact O-CE2 3.26Å; I940-Y942 WeakPolarHBondContact O-CE2 3.43Å; I940-Y942 PolarHBondContact O-N 3.08Å; I940-D955 HydrophobicContact CD1-CB 3.75Å; I940-I959 HydrophobicContact CD1-CG1 4.3Å; I940-L1007 HydrophobicContact CD1-CD2 4.08Å; I940-L1007 HydrophobicContact CG2-CD2 4.4Å; I940-L1010 HydrophobicContact CG2-CD1 4.35Å
941	Q	84.9	Confident	81.9	Confident	103 Å²	103	87.4 Å²	87.4	48%	0.481	45%	0.45	S	S	.	.			trans	-82.9	98.3	175.5	-66.2	-173.1	29.5	0	0	109.7	G943 E1014	Q941-G943 VanDerWaalsContact C-N 3.35Å; Q941-G943 PolarHBondContact O-N 2.76Å; Q941-E1014 HydrophobicContact CG-CG 4.46Å
942	Y	84.4	Confident	81.8	Confident	19 Å²	19	87.7 Å²	87.7	8%	0.075	45%	0.454	C	S	.	.			trans	-73.9	-22.6	-176.7	-59.1	-78.4	0	0	0	114.3	I940 T944 S945 K946 E952 D955 L1007 L1010	I940-Y942 HydrophobicContact CB-CE1 4.14Å; I940-Y942 HydrophobicContact CB-CE2 4.24Å; I940-Y942 HydrophobicContact CG2-CD1 4.2Å; I940-Y942 HydrophobicContact CG2-CE1 3.91Å; I940-Y942 VanDerWaalsContact O-CD2 3.23Å; I940-Y942 WeakPolarHBondContact O-CD2 3.46Å; I940-Y942 VanDerWaalsContact O-CE2 3.26Å; I940-Y942 WeakPolarHBondContact O-CE2 3.43Å; I940-Y942 PolarHBondContact O-N 3.08Å; Y942-T944 PolarHBondContact O-N 3.43Å; Y942-S945 WeakPolarHBondContact O-CA 3.41Å; Y942-S945 WeakPolarHBondContact O-CB 3.29Å; Y942-S945 PolarHBondContact O-N 3.43Å; Y942-K946 HydrophobicContact CD1-CB 4.46Å; Y942-K946 HydrophobicContact CD1-CG 4.2Å; Y942-K946 HydrophobicContact CD2-CB 4.49Å; Y942-K946 HydrophobicContact CD2-CD 4.14Å; Y942-K946 HydrophobicContact CD2-CG 3.95Å; Y942-K946 HydrophobicContact CG-CB 3.96Å; Y942-K946 HydrophobicContact CG-CD 4.44Å; Y942-K946 HydrophobicContact CG-CG 3.79Å; Y942-E952 HydrophobicContact CE2-CB 4.44Å; Y942-E952 HydrophobicContact CE2-CG 4.29Å; Y942-E952 WeakPolarHBondContact OH-CA 3.44Å; Y942-E952 WeakPolarHBondContact OH-CB 3.31Å; Y942-E952 WeakPolarHBondContact OH-CG 3.38Å; Y942-D955 WeakPolarHBondContact CE1-OD2 3.15Å; Y942-D955 PolarHBondContact OH-OD2 3.09Å; Y942-L1007 HydrophobicContact CE1-CD2 4.37Å; Y942-L1010 HydrophobicContact CD1-CD1 4.16Å
943	G	75.8	Confident	81.9	Confident	72 Å²	72	82.8 Å²	82.8	74%	0.742	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	-132.3	-168.1	0	0	0	0	0	111.4	Q941 S945	Q941-G943 VanDerWaalsContact C-N 3.35Å; Q941-G943 PolarHBondContact O-N 2.76Å; G943-S945 PolarHBondContact O-N 2.94Å
944	T	72.6	Confident	82	Confident	153 Å²	153	81.5 Å²	81.5	94%	0.939	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-4.4	173.9	49.6	0	0	0	0	114	Y942	Y942-T944 PolarHBondContact O-N 3.43Å
945	S	65	Low	82.2	Confident	64 Å²	64	80.2 Å²	80.2	45%	0.448	41%	0.414	S	S	.	.			trans	-103	25.4	-169.3	-60	0	0	0	0	114.1	Y942 G943 G947	Y942-S945 WeakPolarHBondContact O-CA 3.41Å; Y942-S945 WeakPolarHBondContact O-CB 3.29Å; Y942-S945 PolarHBondContact O-N 3.43Å; G943-S945 PolarHBondContact O-N 2.94Å; S945-G947 PolarHBondContact O-N 3.34Å
946	K	61.1	Low	82.4	Confident	132 Å²	132	78.6 Å²	78.6	57%	0.574	41%	0.405	S	S	*	.			trans	-70.9	78.1	174.9	-161.6	-178.7	-175.3	-177.2	0	109.5	Y942 K948	Y942-K946 HydrophobicContact CD1-CB 4.46Å; Y942-K946 HydrophobicContact CD1-CG 4.2Å; Y942-K946 HydrophobicContact CD2-CB 4.49Å; Y942-K946 HydrophobicContact CD2-CD 4.14Å; Y942-K946 HydrophobicContact CD2-CG 3.95Å; Y942-K946 HydrophobicContact CG-CB 3.96Å; Y942-K946 HydrophobicContact CG-CD 4.44Å; Y942-K946 HydrophobicContact CG-CG 3.79Å; K946-K948 PolarHBondContact O-N 3.06Å
947	G	62.1	Low	82.7	Confident	33 Å²	33	71.9 Å²	71.9	34%	0.34	37%	0.374	S	S	.	.			trans	-50	134.6	177.1	0	0	0	0	0	110.6	S945 N949	S945-G947 PolarHBondContact O-N 3.34Å; G947-N949 PolarHBondContact O-N 3.04Å; G947-N949 VanDerWaalsContact O-N 3.08Å
948	K	68.8	Low	82.9	Confident	210 Å²	210	67.3 Å²	67.3	91%	0.913	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.3	-168.1	-71.8	-174.5	177.5	-179.1	0	115.3	K946	K946-K948 PolarHBondContact O-N 3.06Å
949	N	82	Confident	83	Confident	112 Å²	112	67.3 Å²	67.3	60%	0.599	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-26.8	-163.5	-60.6	-1.5	0	0	0	114.4	G947 F991	G947-N949 PolarHBondContact O-N 3.04Å; G947-N949 VanDerWaalsContact O-N 3.08Å; N949-F991 HydrophobicContact CB-CE1 4.41Å; N949-F991 HydrophobicContact CB-CE2 4.42Å; N949-F991 HydrophobicContact CB-CZ 3.76Å; N949-F991 WeakPolarHBondContact O-CE1 3.36Å; N949-F991 WeakPolarHBondContact O-CZ 3.35Å
950	Y	87.7	Confident	83.1	Confident	35 Å²	35	59.3 Å²	59.3	14%	0.137	32%	0.323	C	S	.	.	S	Bend	trans	-108.9	138.2	-176.7	-67	-89.1	0	0	0	110.5	E954 D955 F991 R1003	Y950-E954 WeakPolarHBondContact CA-OE2 3.38Å; Y950-E954 WeakPolarHBondContact CD1-OE2 3.35Å; Y950-D955 WeakPolarHBondContact CB-OD1 3.41Å; Y950-F991 AromaticContact CD1-CE1 3.96Å; Y950-F991 HydrophobicContact CD1-CE1 3.96Å; Y950-F991 AromaticContact CE1-CE1 3.95Å; Y950-F991 HydrophobicContact CE1-CE1 3.95Å; Y950-F991 HydrophobicContact CE1-CZ 4.42Å; Y950-F991 HydrophobicContact CG-CE1 4.35Å; Y950-R1003 HydrophobicContact CD1-CG 4.26Å; Y950-R1003 HydrophobicContact CD2-CG 4.04Å; Y950-R1003 HydrophobicContact CE1-CG 4.15Å; Y950-R1003 HydrophobicContact CE2-CB 4.27Å; Y950-R1003 HydrophobicContact CE2-CG 3.92Å; Y950-R1003 HydrophobicContact CG-CG 4.2Å
951	T	88.7	Confident	83.3	Confident	72 Å²	72	60.1 Å²	60.1	44%	0.442	33%	0.327	S	S	.	.			trans	-80.5	160.7	173.2	66.5	0	0	0	0	111.6	E953 E954 D955	T951-E953 PolarHBondContact O-N 3.24Å; T951-E954 WeakPolarHBondContact CB-OE1 3.32Å; T951-E954 WeakPolarHBondContact CG2-OE1 3.19Å; T951-E954 PolarHBondContact N-OE1 2.68Å; T951-E954 PolarHBondContact N-OE2 2.89Å; T951-E954 PolarHBondContact O-N 3.38Å; T951-E954 WeakPolarHBondContact OG1-CG 3.5Å; T951-E954 PolarHBondContact OG1-N 3.16Å; T951-E954 PolarHBondContact OG1-OE1 2.88Å; T951-D955 PolarHBondContact O-N 3.1Å
952	E	87.9	Confident	83.6	Confident	61 Å²	61	55.2 Å²	55.2	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-27.7	178	-178.3	174	179.3	0	0	112.5	Y942 R956	Y942-E952 HydrophobicContact CE2-CB 4.44Å; Y942-E952 HydrophobicContact CE2-CG 4.29Å; Y942-E952 WeakPolarHBondContact OH-CA 3.44Å; Y942-E952 WeakPolarHBondContact OH-CB 3.31Å; Y942-E952 WeakPolarHBondContact OH-CG 3.38Å; E952-R956 WeakPolarHBondContact O-CB 3.28Å; E952-R956 PolarHBondContact O-N 3.16Å
953	E	89.4	Confident	83.9	Confident	109 Å²	109	57.2 Å²	57.2	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-69.3	-44.5	174.9	-175.5	173.9	-174.5	0	0	111.8	T951 R956 F957 F986	T951-E953 PolarHBondContact O-N 3.24Å; E953-R956 PolarHBondContact O-N 3.27Å; E953-F957 PolarHBondContact O-N 3.18Å; E953-F986 HydrophobicContact CG-CE1 4.46Å
954	E	91.3	Very high	84.4	Confident	8 Å²	8	61.2 Å²	61.2	4%	0.037	31%	0.311	C	S	.	.	H	α-helix	trans	-59	-51.8	174.1	-70.2	161	-131.2	0	0	111.4	Y950 T951 R956 F957 L958 F986 I992	Y950-E954 WeakPolarHBondContact CA-OE2 3.38Å; Y950-E954 WeakPolarHBondContact CD1-OE2 3.35Å; T951-E954 WeakPolarHBondContact CB-OE1 3.32Å; T951-E954 WeakPolarHBondContact CG2-OE1 3.19Å; T951-E954 PolarHBondContact N-OE1 2.68Å; T951-E954 PolarHBondContact N-OE2 2.89Å; T951-E954 PolarHBondContact O-N 3.38Å; T951-E954 WeakPolarHBondContact OG1-CG 3.5Å; T951-E954 PolarHBondContact OG1-N 3.16Å; T951-E954 PolarHBondContact OG1-OE1 2.88Å; E954-R956 VanDerWaalsContact C-N 3.33Å; E954-R956 PolarHBondContact O-N 2.91Å; E954-F957 WeakPolarHBondContact O-CB 3.21Å; E954-F957 PolarHBondContact O-N 3.35Å; E954-F957 VanDerWaalsContact O-N 3.16Å; E954-L958 WeakPolarHBondContact O-CG 2.89Å; E954-L958 PolarHBondContact O-N 3.49Å; E954-F986 HydrophobicContact CG-CE1 3.92Å; E954-F986 HydrophobicContact CG-CZ 4.34Å; E954-I992 HydrophobicContact CB-CD1 3.87Å; E954-I992 HydrophobicContact CG-CB 4.42Å; E954-I992 HydrophobicContact CG-CD1 3.79Å; E954-I992 HydrophobicContact CG-CG1 4.46Å
955	D	92.9	Very high	85.1	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-40.9	-179	-72.4	-30.2	0	0	0	112.4	I940 Y942 Y950 T951 F957 L958 I959 R1003 L1007	I940-D955 HydrophobicContact CD1-CB 3.75Å; Y942-D955 WeakPolarHBondContact CE1-OD2 3.15Å; Y942-D955 PolarHBondContact OH-OD2 3.09Å; Y950-D955 WeakPolarHBondContact CB-OD1 3.41Å; T951-D955 PolarHBondContact O-N 3.1Å; D955-F957 VanDerWaalsContact C-N 3.32Å; D955-F957 PolarHBondContact O-N 3.13Å; D955-L958 PolarHBondContact O-N 3.04Å; D955-I959 WeakPolarHBondContact O-CG1 3.44Å; D955-I959 PolarHBondContact O-N 3.47Å; D955-R1003 VanDerWaalsContact CG-NH2 3.29Å; D955-R1003 IonicContact OD1-CZ 2.73Å; D955-R1003 IonicContact OD1-NE 3.64Å; D955-R1003 PolarHBondContact OD1-NE 2.85Å; D955-R1003 IonicContact OD1-NH2 2.67Å; D955-R1003 PolarHBondContact OD1-NH2 3.22Å; D955-R1003 IonicContact OD2-CZ 3.58Å; D955-R1003 IonicContact OD2-NE 2.92Å; D955-R1003 IonicContact OD2-NH2 2.62Å; D955-R1003 PolarHBondContact OD2-NH2 3.47Å; D955-L1007 HydrophobicContact CB-CD1 3.76Å; D955-L1007 HydrophobicContact CB-CD2 3.93Å
956	R	92.5	Very high	85.9	Confident	40 Å²	40	52.9 Å²	52.9	15%	0.151	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-45.7	175.3	179	-171.9	-57.9	170.9	-3.2	111.1	P934 F935 H936 L938 E952 E953 E954 I959 C960	P934-R956 WeakPolarHBondContact O-CD 3.45Å; F935-R956 VanDerWaalsContact C-CD 3.47Å; F935-R956 WeakPolarHBondContact O-CD 3.36Å; H936-R956 PolarHBondContact O-NH1 3.08Å; L938-R956 HydrophobicContact CB-CG 4.12Å; L938-R956 HydrophobicContact CD2-CG 4.3Å; L938-R956 VanDerWaalsContact O-CZ 3.3Å; L938-R956 PolarHBondContact O-NE 3.41Å; L938-R956 PolarHBondContact O-NH2 2.63Å; E952-R956 WeakPolarHBondContact O-CB 3.28Å; E952-R956 PolarHBondContact O-N 3.16Å; E953-R956 PolarHBondContact O-N 3.27Å; E954-R956 VanDerWaalsContact C-N 3.33Å; E954-R956 PolarHBondContact O-N 2.91Å; R956-I959 PolarHBondContact O-N 3.33Å; R956-C960 WeakPolarHBondContact O-CB 3.5Å; R956-C960 PolarHBondContact O-N 3Å; R956-C960 PolarHBondContact O-SG 2.7Å
957	F	93.7	Very high	86.6	Confident	10 Å²	10	48.9 Å²	48.9	4%	0.044	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-46.2	178.3	-178.3	-89	0	0	0	111.3	F935 E953 E954 D955 I959 C960 M961 V980 A983 Q985 F986	F935-F957 HydrophobicContact CD1-CD2 4.24Å; F935-F957 HydrophobicContact CE1-CD2 4.02Å; F935-F957 HydrophobicContact CE1-CE2 4.33Å; E953-F957 PolarHBondContact O-N 3.18Å; E954-F957 WeakPolarHBondContact O-CB 3.21Å; E954-F957 PolarHBondContact O-N 3.35Å; E954-F957 VanDerWaalsContact O-N 3.16Å; D955-F957 VanDerWaalsContact C-N 3.32Å; D955-F957 PolarHBondContact O-N 3.13Å; F957-I959 PolarHBondContact O-N 3.11Å; F957-C960 PolarHBondContact O-N 2.91Å; F957-M961 HydrophobicContact CD1-CB 4.49Å; F957-M961 HydrophobicContact CD2-CE 4.5Å; F957-M961 HydrophobicContact CE1-CB 4.29Å; F957-M961 HydrophobicContact CE1-CE 4.15Å; F957-M961 HydrophobicContact CE1-CG 4.46Å; F957-M961 HydrophobicContact CE2-CE 3.62Å; F957-M961 HydrophobicContact CZ-CE 3.42Å; F957-M961 VanDerWaalsContact CZ-CE 3.42Å; F957-M961 VanDerWaalsContact O-CB 3.27Å; F957-M961 WeakPolarHBondContact O-CB 3.41Å; F957-M961 PolarHBondContact O-N 3.39Å; F957-V980 HydrophobicContact CD1-CG2 4.14Å; F957-V980 HydrophobicContact CE1-CG2 3.82Å; F957-A983 HydrophobicContact CE1-CB 4.39Å; F957-A983 HydrophobicContact CE2-CB 3.95Å; F957-A983 HydrophobicContact CZ-CB 3.65Å; F957-Q985 VanDerWaalsContact CD2-NE2 3.26Å; F957-F986 HydrophobicContact CB-CE2 3.81Å; F957-F986 HydrophobicContact CB-CZ 3.69Å; F957-F986 AromaticContact CD1-CE2 3.55Å; F957-F986 HydrophobicContact CD1-CE2 3.55Å; F957-F986 HydrophobicContact CD1-CZ 4.32Å; F957-F986 AromaticContact CD2-CE2 3.95Å; F957-F986 HydrophobicContact CD2-CE2 3.95Å; F957-F986 HydrophobicContact CD2-CZ 4.39Å; F957-F986 HydrophobicContact CE1-CE2 4.01Å; F957-F986 HydrophobicContact CE2-CE2 4.36Å; F957-F986 AromaticContact CG-CE2 3.49Å; F957-F986 HydrophobicContact CG-CE2 3.49Å; F957-F986 VanDerWaalsContact CG-CE2 3.49Å; F957-F986 AromaticContact CG-CZ 3.9Å; F957-F986 HydrophobicContact CG-CZ 3.9Å; F957-F986 HydrophobicContact CZ-CE2 4.38Å
958	L	93.1	Very high	86.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-46.4	178.9	-66.7	178	0	0	0	111.6	E954 D955 L962 L976 V980 F1000 R1003	E954-L958 WeakPolarHBondContact O-CG 2.89Å; E954-L958 PolarHBondContact O-N 3.49Å; D955-L958 PolarHBondContact O-N 3.04Å; L958-L962 WeakPolarHBondContact O-CB 3.34Å; L958-L962 PolarHBondContact O-N 2.99Å; L958-L976 HydrophobicContact CD2-CD1 4.27Å; L958-L976 HydrophobicContact CD2-CD2 4.02Å; L958-L976 HydrophobicContact CD2-CG 4.15Å; L958-V980 HydrophobicContact CD2-CG2 3.79Å; L958-F1000 HydrophobicContact CD1-CD1 3.97Å; L958-F1000 HydrophobicContact CD1-CE1 4.33Å; L958-F1000 HydrophobicContact CD2-CD1 3.63Å; L958-F1000 HydrophobicContact CD2-CE1 3.77Å; L958-F1000 HydrophobicContact CD2-CG 4.47Å; L958-F1000 HydrophobicContact CG-CD1 4.48Å; L958-R1003 HydrophobicContact CD1-CG 4.02Å
959	I	92.4	Very high	87.2	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-46.2	179	-71.3	-56.9	0	0	0	112.1	L924 L938 I940 D955 R956 F957 M961 L962 H963 L1007 I1011	L924-I959 HydrophobicContact CD2-CD1 4.22Å; L924-I959 HydrophobicContact CD2-CG2 3.94Å; L938-I959 HydrophobicContact CD1-CG2 4.32Å; I940-I959 HydrophobicContact CD1-CG1 4.3Å; D955-I959 WeakPolarHBondContact O-CG1 3.44Å; D955-I959 PolarHBondContact O-N 3.47Å; R956-I959 PolarHBondContact O-N 3.33Å; F957-I959 PolarHBondContact O-N 3.11Å; I959-M961 VanDerWaalsContact C-N 3.33Å; I959-M961 PolarHBondContact O-N 3.4Å; I959-L962 PolarHBondContact O-N 3.25Å; I959-H963 WeakPolarHBondContact O-CB 3.47Å; I959-H963 PolarHBondContact O-N 2.92Å; I959-L1007 HydrophobicContact CD1-CB 3.58Å; I959-L1007 HydrophobicContact CD1-CD1 4.08Å; I959-L1007 HydrophobicContact CD1-CG 4.5Å; I959-L1007 HydrophobicContact CG1-CB 3.95Å; I959-L1007 HydrophobicContact CG1-CD1 3.87Å; I959-I1011 HydrophobicContact CD1-CD1 3.92Å; I959-I1011 HydrophobicContact CG1-CD1 4.03Å; I959-I1011 HydrophobicContact CG2-CD1 3.94Å
960	C	92.3	Very high	86.9	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-38.4	-179.2	-65.3	0	0	0	0	111.6	F935 R956 F957 K964	F935-C960 HydrophobicContact CD1-CB 3.7Å; F935-C960 HydrophobicContact CD2-CB 4.05Å; F935-C960 HydrophobicContact CE1-CB 3.37Å; F935-C960 HydrophobicContact CE2-CB 3.74Å; F935-C960 HydrophobicContact CG-CB 4.04Å; F935-C960 HydrophobicContact CZ-CB 3.39Å; R956-C960 WeakPolarHBondContact O-CB 3.5Å; R956-C960 PolarHBondContact O-N 3Å; R956-C960 PolarHBondContact O-SG 2.7Å; F957-C960 PolarHBondContact O-N 2.91Å; C960-K964 WeakPolarHBondContact O-CB 3.44Å; C960-K964 PolarHBondContact O-N 3.25Å
961	M	91.4	Very high	86.6	Confident	26 Å²	26	56.2 Å²	56.2	13%	0.128	27%	0.27	C	S	.	.	H	α-helix	trans	-74.3	-39.4	179.1	-158.4	61.7	73.8	0	0	111.7	F935 F957 I959 H963 K964 M965 L976 C979	F935-M961 HydrophobicContact CE1-CE 4.06Å; F935-M961 HydrophobicContact CZ-CE 4.08Å; F957-M961 HydrophobicContact CD1-CB 4.49Å; F957-M961 HydrophobicContact CD2-CE 4.5Å; F957-M961 HydrophobicContact CE1-CB 4.29Å; F957-M961 HydrophobicContact CE1-CE 4.15Å; F957-M961 HydrophobicContact CE1-CG 4.46Å; F957-M961 HydrophobicContact CE2-CE 3.62Å; F957-M961 HydrophobicContact CZ-CE 3.42Å; F957-M961 VanDerWaalsContact CZ-CE 3.42Å; F957-M961 VanDerWaalsContact O-CB 3.27Å; F957-M961 WeakPolarHBondContact O-CB 3.41Å; F957-M961 PolarHBondContact O-N 3.39Å; I959-M961 VanDerWaalsContact C-N 3.33Å; I959-M961 PolarHBondContact O-N 3.4Å; M961-H963 VanDerWaalsContact C-N 3.32Å; M961-H963 PolarHBondContact O-N 3.04Å; M961-K964 PolarHBondContact O-N 3.42Å; M961-K964 HydrophobicContact SD-CD 4.21Å; M961-M965 HydrophobicContact CG-CG 4.42Å; M961-M965 HydrophobicContact CG-SD 3.79Å; M961-M965 WeakPolarHBondContact O-CB 3.42Å; M961-M965 VanDerWaalsContact O-CG 3.24Å; M961-M965 WeakPolarHBondContact O-CG 3.26Å; M961-M965 PolarHBondContact O-N 2.94Å; M961-L976 HydrophobicContact CB-CD1 3.65Å; M961-L976 HydrophobicContact CG-CD1 3.85Å; M961-C979 HydrophobicContact CG-CB 3.92Å
962	L	91	Very high	86.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.8	-41.7	173.3	-175.7	66.4	0	0	0	111.9	L958 I959 G966 F967 V972 Y973 C1004 I1008	L958-L962 WeakPolarHBondContact O-CB 3.34Å; L958-L962 PolarHBondContact O-N 2.99Å; I959-L962 PolarHBondContact O-N 3.25Å; L962-G966 PolarHBondContact O-N 2.71Å; L962-F967 HydrophobicContact CD1-CD2 4.18Å; L962-F967 HydrophobicContact CD2-CD2 4.16Å; L962-F967 HydrophobicContact CG-CD2 4.35Å; L962-V972 HydrophobicContact CD1-CG1 4.42Å; L962-V972 HydrophobicContact CD1-CG2 3.78Å; L962-Y973 HydrophobicContact CD1-CE1 4.08Å; L962-C1004 HydrophobicContact CD2-CB 3.88Å; L962-I1008 HydrophobicContact CD2-CD1 4.02Å
963	H	90	Very high	86.7	Confident	60 Å²	60	51 Å²	51	28%	0.278	24%	0.24	S	C	.	.	H	α-helix	trans	-64.7	-46.1	173.9	175.2	-100.3	0	0	0	112.4	D925 I928 I959 M961 M965 G966	D925-H963 IonicContact OD1-CD2 3.49Å; D925-H963 PolarHBondContact OD1-CD2 3.23Å; D925-H963 IonicContact OD1-CE1 2.7Å; D925-H963 IonicContact OD1-NE2 3.47Å; D925-H963 PolarHBondContact OD1-NE2 3.34Å; I928-H963 HydrophobicContact CD1-CB 3.21Å; I928-H963 VanDerWaalsContact CD1-ND1 3.32Å; I928-H963 WeakPolarHBondContact CD1-ND1 3.23Å; I959-H963 WeakPolarHBondContact O-CB 3.47Å; I959-H963 PolarHBondContact O-N 2.92Å; M961-H963 VanDerWaalsContact C-N 3.32Å; M961-H963 PolarHBondContact O-N 3.04Å; H963-M965 VanDerWaalsContact C-N 3.3Å; H963-M965 PolarHBondContact O-N 3.39Å; H963-G966 PolarHBondContact O-N 3.17Å
964	K	87.4	Confident	86.7	Confident	156 Å²	156	49.4 Å²	49.4	68%	0.678	23%	0.233	S	C	*	.	H	α-helix	trans	-61.9	-36.8	-179.3	-174.1	178.8	178.6	-175.9	0	112.8	C960 M961	C960-K964 WeakPolarHBondContact O-CB 3.44Å; C960-K964 PolarHBondContact O-N 3.25Å; M961-K964 PolarHBondContact O-N 3.42Å; M961-K964 HydrophobicContact SD-CD 4.21Å
965	M	86	Confident	86.7	Confident	24 Å²	24	52.3 Å²	52.3	12%	0.118	25%	0.246	C	C	.	.	H	α-helix	trans	-81.3	-24.2	-178.7	-67.5	169.4	54.1	0	0	113.5	M961 H963 R969 V972 E975 L976	M961-M965 HydrophobicContact CG-CG 4.42Å; M961-M965 HydrophobicContact CG-SD 3.79Å; M961-M965 WeakPolarHBondContact O-CB 3.42Å; M961-M965 VanDerWaalsContact O-CG 3.24Å; M961-M965 WeakPolarHBondContact O-CG 3.26Å; M961-M965 PolarHBondContact O-N 2.94Å; H963-M965 VanDerWaalsContact C-N 3.3Å; H963-M965 PolarHBondContact O-N 3.39Å; M965-R969 PolarHBondContact O-NE 2.89Å; M965-V972 HydrophobicContact CB-CG2 4.31Å; M965-V972 HydrophobicContact CE-CG2 4.04Å; M965-V972 WeakPolarHBondContact CE-O 3.47Å; M965-E975 HydrophobicContact CE-CB 3.13Å; M965-E975 HydrophobicContact CE-CG 4.26Å; M965-E975 WeakPolarHBondContact CE-OE2 3.42Å; M965-L976 HydrophobicContact CE-CB 4.49Å; M965-L976 HydrophobicContact SD-CB 4.45Å; M965-L976 HydrophobicContact SD-CD1 4.42Å
966	G	82.1	Confident	86.6	Confident	19 Å²	19	52.3 Å²	52.3	20%	0.196	25%	0.246	C	C	.	.			trans	87.5	135.6	-171.8	0	0	0	0	0	111.7	L962 H963 D968 V972	L962-G966 PolarHBondContact O-N 2.71Å; H963-G966 PolarHBondContact O-N 3.17Å; G966-D968 VanDerWaalsContact C-N 3.25Å; G966-D968 PolarHBondContact O-N 3.41Å; G966-V972 WeakPolarHBondContact O-CG2 3.47Å
967	F	75	Confident	86.6	Confident	47 Å²	47	52.9 Å²	52.9	21%	0.206	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7	-179.5	-174.2	-95.2	0	0	0	113.3	R917 I920 L962 Y973 I1008	R917-F967 HydrophobicContact CG-CD1 4.2Å; R917-F967 HydrophobicContact CG-CE1 4.19Å; I920-F967 HydrophobicContact CD1-CD1 4.39Å; I920-F967 HydrophobicContact CD1-CE1 3.69Å; I920-F967 HydrophobicContact CD1-CE2 4.13Å; I920-F967 HydrophobicContact CD1-CZ 3.54Å; I920-F967 HydrophobicContact CG2-CD1 4.31Å; I920-F967 HydrophobicContact CG2-CD2 4.02Å; I920-F967 HydrophobicContact CG2-CE2 4.24Å; I920-F967 HydrophobicContact CG2-CG 4.05Å; L962-F967 HydrophobicContact CD1-CD2 4.18Å; L962-F967 HydrophobicContact CD2-CD2 4.16Å; L962-F967 HydrophobicContact CG-CD2 4.35Å; F967-Y973 WeakPolarHBondContact CE2-OH 3.47Å; F967-I1008 HydrophobicContact CD2-CD1 4.42Å; F967-I1008 HydrophobicContact CE2-CD1 3.96Å
968	D	70.3	Confident	86.4	Confident	109 Å²	109	57.5 Å²	57.5	58%	0.583	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.8	-168.9	55.8	-15.8	0	0	0	114.7	G966	G966-D968 VanDerWaalsContact C-N 3.25Å; G966-D968 PolarHBondContact O-N 3.41Å
969	R	75.2	Confident	86.4	Confident	136 Å²	136	59.5 Å²	59.5	51%	0.513	28%	0.284	S	S	.	.			trans	-83.7	136	-178.4	-57.9	-178.3	-176.4	-173.1	-1.2	112.2	M965 N971 V972 E975	M965-R969 PolarHBondContact O-NE 2.89Å; R969-N971 VanDerWaalsContact C-N 3.26Å; R969-N971 PolarHBondContact O-N 2.93Å; R969-V972 HydrophobicContact CB-CB 4.29Å; R969-V972 WeakPolarHBondContact O-CB 3.3Å; R969-V972 WeakPolarHBondContact O-CG1 3.45Å; R969-V972 PolarHBondContact O-N 3.07Å; R969-E975 IonicContact NH1-OE2 3.15Å
970	E	74	Confident	86.4	Confident	188 Å²	188	59.6 Å²	59.6	88%	0.879	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-37.8	179.6	-67.8	-177.4	162.1	0	0	112.6
971	N	83	Confident	86.3	Confident	111 Å²	111	64.6 Å²	64.6	59%	0.594	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	17.6	-177.4	-67.5	-18.7	0	0	0	114.4	R969 Y973 E974 E975	R969-N971 VanDerWaalsContact C-N 3.26Å; R969-N971 PolarHBondContact O-N 2.93Å; N971-Y973 PolarHBondContact O-N 3.44Å; N971-Y973 VanDerWaalsContact O-N 3.1Å; N971-E974 PolarHBondContact O-N 3.38Å; N971-E975 PolarHBondContact O-N 3.11Å; N971-E975 VanDerWaalsContact O-N 3.08Å
972	V	86.3	Confident	86.3	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-54.5	-37	-173.3	69.3	0	0	0	0	113.1	L962 M965 G966 R969 L976	L962-V972 HydrophobicContact CD1-CG1 4.42Å; L962-V972 HydrophobicContact CD1-CG2 3.78Å; M965-V972 HydrophobicContact CB-CG2 4.31Å; M965-V972 HydrophobicContact CE-CG2 4.04Å; M965-V972 WeakPolarHBondContact CE-O 3.47Å; G966-V972 WeakPolarHBondContact O-CG2 3.47Å; R969-V972 HydrophobicContact CB-CB 4.29Å; R969-V972 WeakPolarHBondContact O-CB 3.3Å; R969-V972 WeakPolarHBondContact O-CG1 3.45Å; R969-V972 PolarHBondContact O-N 3.07Å; V972-L976 VanDerWaalsContact O-CB 3.25Å; V972-L976 WeakPolarHBondContact O-CB 3.43Å; V972-L976 PolarHBondContact O-N 3.31Å
973	Y	91.1	Very high	86.2	Confident	22 Å²	22	70 Å²	70	9%	0.086	33%	0.333	C	S	.	.	H	α-helix	trans	-78.6	-25.7	-177.2	-61.7	-69.2	0	0	0	113.5	L962 F967 N971 L976 R977 Q1001 C1004	L962-Y973 HydrophobicContact CD1-CE1 4.08Å; F967-Y973 WeakPolarHBondContact CE2-OH 3.47Å; N971-Y973 PolarHBondContact O-N 3.44Å; N971-Y973 VanDerWaalsContact O-N 3.1Å; Y973-L976 HydrophobicContact CD1-CD2 4.23Å; Y973-R977 WeakPolarHBondContact O-CB 3.39Å; Y973-R977 PolarHBondContact O-N 2.71Å; Y973-Q1001 HydrophobicContact CD1-CB 3.94Å; Y973-Q1001 HydrophobicContact CD2-CB 3.86Å; Y973-Q1001 HydrophobicContact CD2-CG 3.93Å; Y973-Q1001 HydrophobicContact CE1-CB 3.99Å; Y973-Q1001 HydrophobicContact CE1-CG 4.22Å; Y973-Q1001 HydrophobicContact CE2-CB 3.9Å; Y973-Q1001 HydrophobicContact CE2-CG 3.52Å; Y973-Q1001 HydrophobicContact CG-CB 3.87Å; Y973-Q1001 HydrophobicContact CG-CG 4.41Å; Y973-C1004 HydrophobicContact CE1-CB 3.95Å
974	E	90.4	Very high	86.2	Confident	75 Å²	75	72.3 Å²	72.3	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-76.3	-40.9	173.3	-164.6	60.5	-146.6	0	0	110.3	N971 L976 R977 Q978 A997	N971-E974 PolarHBondContact O-N 3.38Å; E974-L976 VanDerWaalsContact C-N 3.31Å; E974-L976 PolarHBondContact O-N 3.14Å; E974-R977 WeakPolarHBondContact O-CB 3.27Å; E974-R977 PolarHBondContact O-N 3.33Å; E974-R977 IonicContact OE1-CZ 3.63Å; E974-R977 IonicContact OE1-NH1 2.81Å; E974-R977 PolarHBondContact OE1-NH1 3.03Å; E974-R977 IonicContact OE2-NH1 3.7Å; E974-Q978 WeakPolarHBondContact O-CG 3.44Å; E974-Q978 PolarHBondContact O-N 2.81Å; E974-A997 WeakPolarHBondContact OE2-CB 3.37Å
975	E	89.9	Confident	86.2	Confident	68 Å²	68	69.5 Å²	69.5	32%	0.318	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-39.9	169.9	-72.8	-178.6	-154.4	0	0	111.2	M965 R969 N971 R977 Q978 C979	M965-E975 HydrophobicContact CE-CB 3.13Å; M965-E975 HydrophobicContact CE-CG 4.26Å; M965-E975 WeakPolarHBondContact CE-OE2 3.42Å; R969-E975 IonicContact NH1-OE2 3.15Å; N971-E975 PolarHBondContact O-N 3.11Å; N971-E975 VanDerWaalsContact O-N 3.08Å; E975-R977 VanDerWaalsContact C-N 3.3Å; E975-R977 PolarHBondContact O-N 2.73Å; E975-Q978 WeakPolarHBondContact O-CB 3.49Å; E975-Q978 PolarHBondContact O-N 2.9Å; E975-Q978 VanDerWaalsContact O-N 3.14Å; E975-C979 PolarHBondContact O-N 3.46Å; E975-C979 PolarHBondContact O-SG 3.23Å
976	L	91.6	Very high	86.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-40.4	176.7	-179	62.5	0	0	0	110.9	L958 M961 M965 V972 Y973 E974 C979 V980 F1000	L958-L976 HydrophobicContact CD2-CD1 4.27Å; L958-L976 HydrophobicContact CD2-CD2 4.02Å; L958-L976 HydrophobicContact CD2-CG 4.15Å; M961-L976 HydrophobicContact CB-CD1 3.65Å; M961-L976 HydrophobicContact CG-CD1 3.85Å; M965-L976 HydrophobicContact CE-CB 4.49Å; M965-L976 HydrophobicContact SD-CB 4.45Å; M965-L976 HydrophobicContact SD-CD1 4.42Å; V972-L976 VanDerWaalsContact O-CB 3.25Å; V972-L976 WeakPolarHBondContact O-CB 3.43Å; V972-L976 PolarHBondContact O-N 3.31Å; Y973-L976 HydrophobicContact CD1-CD2 4.23Å; E974-L976 VanDerWaalsContact C-N 3.31Å; E974-L976 PolarHBondContact O-N 3.14Å; L976-C979 WeakPolarHBondContact O-CB 3.23Å; L976-C979 PolarHBondContact O-N 2.85Å; L976-V980 WeakPolarHBondContact O-CG2 3.04Å; L976-V980 PolarHBondContact O-N 3.48Å; L976-F1000 HydrophobicContact CD2-CB 4.39Å
977	R	92.2	Very high	86.7	Confident	52 Å²	52	76 Å²	76	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-41.6	174.5	176.4	176.2	-175.2	-129.9	10.1	111.9	Y973 E974 E975 V980 R981 R995 F1000	Y973-R977 WeakPolarHBondContact O-CB 3.39Å; Y973-R977 PolarHBondContact O-N 2.71Å; E974-R977 WeakPolarHBondContact O-CB 3.27Å; E974-R977 PolarHBondContact O-N 3.33Å; E974-R977 IonicContact OE1-CZ 3.63Å; E974-R977 IonicContact OE1-NH1 2.81Å; E974-R977 PolarHBondContact OE1-NH1 3.03Å; E974-R977 IonicContact OE2-NH1 3.7Å; E975-R977 VanDerWaalsContact C-N 3.3Å; E975-R977 PolarHBondContact O-N 2.73Å; R977-V980 PolarHBondContact O-N 2.85Å; R977-R981 WeakPolarHBondContact O-CG 3.45Å; R977-R981 PolarHBondContact O-N 2.86Å; R977-R995 PolarHBondContact NE-O 3.4Å; R977-R995 VanDerWaalsContact NE-O 3.12Å; R977-F1000 HydrophobicContact CB-CD2 3.97Å; R977-F1000 HydrophobicContact CB-CE2 3.9Å; R977-F1000 HydrophobicContact CG-CD2 4.41Å; R977-F1000 HydrophobicContact CG-CE2 3.99Å
978	Q	90.8	Very high	87.3	Confident	108 Å²	108	81.8 Å²	81.8	51%	0.505	39%	0.385	S	S	.	.	H	α-helix	trans	-63.7	-42.7	174	-67.2	179.8	10.1	0	0	111.5	E974 E975 V980 R981 N982	E974-Q978 WeakPolarHBondContact O-CG 3.44Å; E974-Q978 PolarHBondContact O-N 2.81Å; E975-Q978 WeakPolarHBondContact O-CB 3.49Å; E975-Q978 PolarHBondContact O-N 2.9Å; E975-Q978 VanDerWaalsContact O-N 3.14Å; Q978-V980 VanDerWaalsContact C-N 3.35Å; Q978-V980 PolarHBondContact O-N 3.47Å; Q978-R981 PolarHBondContact O-N 2.81Å; Q978-N982 PolarHBondContact O-N 3.09Å; Q978-N982 PolarHBondContact O-ND2 2.89Å
979	C	91.2	Very high	88.2	Confident	42 Å²	42	78.4 Å²	78.4	28%	0.284	37%	0.367	S	S	.	.	H	α-helix	trans	-58.4	-44	174.6	-74.2	0	0	0	0	112.3	M961 E975 L976 N982 A983	M961-C979 HydrophobicContact CG-CB 3.92Å; E975-C979 PolarHBondContact O-N 3.46Å; E975-C979 PolarHBondContact O-SG 3.23Å; L976-C979 WeakPolarHBondContact O-CB 3.23Å; L976-C979 PolarHBondContact O-N 2.85Å; C979-N982 PolarHBondContact O-N 3.38Å; C979-A983 WeakPolarHBondContact O-CB 3.25Å; C979-A983 PolarHBondContact O-N 3.49Å
980	V	92.6	Very high	88.8	Confident	1 Å²	1	81.4 Å²	81.4	1%	0.006	38%	0.379	C	S	.	.	H	α-helix	trans	-62.5	-41.9	176	169.6	0	0	0	0	111.6	F957 L958 L976 R977 Q978 N982 A983 F986 I992 F1000	F957-V980 HydrophobicContact CD1-CG2 4.14Å; F957-V980 HydrophobicContact CE1-CG2 3.82Å; L958-V980 HydrophobicContact CD2-CG2 3.79Å; L976-V980 WeakPolarHBondContact O-CG2 3.04Å; L976-V980 PolarHBondContact O-N 3.48Å; R977-V980 PolarHBondContact O-N 2.85Å; Q978-V980 VanDerWaalsContact C-N 3.35Å; Q978-V980 PolarHBondContact O-N 3.47Å; V980-N982 VanDerWaalsContact C-N 3.3Å; V980-N982 PolarHBondContact O-N 2.85Å; V980-A983 PolarHBondContact O-N 2.85Å; V980-F986 HydrophobicContact CG1-CD2 4.21Å; V980-I992 HydrophobicContact CG1-CB 4.36Å; V980-I992 HydrophobicContact CG1-CD1 3.8Å; V980-I992 HydrophobicContact CG1-CG1 3.8Å; V980-I992 HydrophobicContact CG1-CG2 3.86Å; V980-I992 HydrophobicContact CG2-CD1 4.3Å; V980-F1000 HydrophobicContact CB-CZ 4.19Å; V980-F1000 HydrophobicContact CG1-CZ 3.96Å; V980-F1000 HydrophobicContact CG2-CE1 4.29Å; V980-F1000 HydrophobicContact CG2-CZ 4.03Å
981	R	90.2	Very high	89.6	Confident	110 Å²	110	75.9 Å²	75.9	42%	0.415	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-37.2	179	-76.6	175	168.7	-175	-7.6	112.8	R977 Q978 K993	R977-R981 WeakPolarHBondContact O-CG 3.45Å; R977-R981 PolarHBondContact O-N 2.86Å; Q978-R981 PolarHBondContact O-N 2.81Å; R981-K993 WeakPolarHBondContact O-CE 3.2Å; R981-K993 PolarHBondContact O-NZ 3.01Å
982	N	91.2	Very high	90	Very high	132 Å²	132	70.6 Å²	70.6	71%	0.706	32%	0.323	S	S	*	.	H	α-helix	trans	-87.7	-10.9	-177.8	-65.4	-19.1	0	0	0	113.3	Q978 C979 V980 P984	Q978-N982 PolarHBondContact O-N 3.09Å; Q978-N982 PolarHBondContact O-ND2 2.89Å; C979-N982 PolarHBondContact O-N 3.38Å; V980-N982 VanDerWaalsContact C-N 3.3Å; V980-N982 PolarHBondContact O-N 2.85Å; N982-P984 WeakPolarHBondContact O-CD 3.34Å
983	A	90	Very high	90.2	Very high	7 Å²	7	72.6 Å²	72.6	6%	0.058	33%	0.332	C	S	.	.			trans	-67.1	121.1	-179.8	0	0	0	0	0	111.6	F957 C979 V980 Q985 F986	F957-A983 HydrophobicContact CE1-CB 4.39Å; F957-A983 HydrophobicContact CE2-CB 3.95Å; F957-A983 HydrophobicContact CZ-CB 3.65Å; C979-A983 WeakPolarHBondContact O-CB 3.25Å; C979-A983 PolarHBondContact O-N 3.49Å; V980-A983 PolarHBondContact O-N 2.85Å; A983-Q985 VanDerWaalsContact C-N 3.32Å; A983-Q985 PolarHBondContact O-N 3.37Å; A983-F986 HydrophobicContact CB-CD2 3.71Å; A983-F986 HydrophobicContact CB-CE2 4.3Å; A983-F986 HydrophobicContact CB-CG 4.5Å; A983-F986 PolarHBondContact O-N 3.16Å
984	P	88.8	Confident	90.1	Very high	108 Å²	108	74.1 Å²	74.1	70%	0.701	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-60.7	-35.7	-178.6	-26	35.4	0	0	0	114.1	N982 F986 R987	N982-P984 WeakPolarHBondContact O-CD 3.34Å; P984-F986 PolarHBondContact O-N 3.12Å; P984-R987 WeakPolarHBondContact O-CB 3.23Å; P984-R987 PolarHBondContact O-N 2.99Å
985	Q	88.8	Confident	90.2	Very high	98 Å²	98	73.3 Å²	73.3	46%	0.458	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-63.6	-27.4	179.2	62.4	-116.9	51.1	0	0	113.3	F957 A983 R987	F957-Q985 VanDerWaalsContact CD2-NE2 3.26Å; A983-Q985 VanDerWaalsContact C-N 3.32Å; A983-Q985 PolarHBondContact O-N 3.37Å; Q985-R987 VanDerWaalsContact C-N 3.32Å
986	F	91.7	Very high	90.3	Very high	5 Å²	5	72.9 Å²	72.9	2%	0.022	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-95.5	17.6	177.3	-54.3	-44.5	0	0	0	112.2	E953 E954 F957 V980 A983 P984 F988 D989 I992 K993	E953-F986 HydrophobicContact CG-CE1 4.46Å; E954-F986 HydrophobicContact CG-CE1 3.92Å; E954-F986 HydrophobicContact CG-CZ 4.34Å; F957-F986 HydrophobicContact CB-CE2 3.81Å; F957-F986 HydrophobicContact CB-CZ 3.69Å; F957-F986 AromaticContact CD1-CE2 3.55Å; F957-F986 HydrophobicContact CD1-CE2 3.55Å; F957-F986 HydrophobicContact CD1-CZ 4.32Å; F957-F986 AromaticContact CD2-CE2 3.95Å; F957-F986 HydrophobicContact CD2-CE2 3.95Å; F957-F986 HydrophobicContact CD2-CZ 4.39Å; F957-F986 HydrophobicContact CE1-CE2 4.01Å; F957-F986 HydrophobicContact CE2-CE2 4.36Å; F957-F986 AromaticContact CG-CE2 3.49Å; F957-F986 HydrophobicContact CG-CE2 3.49Å; F957-F986 VanDerWaalsContact CG-CE2 3.49Å; F957-F986 AromaticContact CG-CZ 3.9Å; F957-F986 HydrophobicContact CG-CZ 3.9Å; F957-F986 HydrophobicContact CZ-CE2 4.38Å; V980-F986 HydrophobicContact CG1-CD2 4.21Å; A983-F986 HydrophobicContact CB-CD2 3.71Å; A983-F986 HydrophobicContact CB-CE2 4.3Å; A983-F986 HydrophobicContact CB-CG 4.5Å; A983-F986 PolarHBondContact O-N 3.16Å; P984-F986 PolarHBondContact O-N 3.12Å; F986-F988 PolarHBondContact O-N 3.34Å; F986-F988 VanDerWaalsContact O-N 3.14Å; F986-D989 HydrophobicContact CB-CB 4.13Å; F986-D989 HydrophobicContact CD1-CB 4.34Å; F986-D989 PolarHBondContact O-N 3Å; F986-D989 VanDerWaalsContact O-N 3.12Å; F986-I992 HydrophobicContact CB-CG2 3.87Å; F986-I992 HydrophobicContact CD1-CG2 4.19Å; F986-I992 HydrophobicContact CD2-CD1 4.34Å; F986-I992 HydrophobicContact CD2-CG2 4.28Å; F986-I992 HydrophobicContact CE2-CD1 4.16Å; F986-I992 HydrophobicContact CG-CG2 3.86Å; F986-I992 HydrophobicContact CZ-CD1 4.37Å; F986-K993 WeakPolarHBondContact O-CD 3.36Å; F986-K993 WeakPolarHBondContact O-CE 3.47Å; F986-K993 PolarHBondContact O-NZ 3.01Å
987	R	86.9	Confident	90.2	Very high	173 Å²	173	73.8 Å²	73.8	65%	0.653	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-45.1	-178	-178.8	175.4	178	96.3	-0.4	112.1	P984 Q985 K993	P984-R987 WeakPolarHBondContact O-CB 3.23Å; P984-R987 PolarHBondContact O-N 2.99Å; Q985-R987 VanDerWaalsContact C-N 3.32Å; R987-K993 PolarHBondContact O-NZ 3.38Å
988	F	88.2	Confident	90.1	Very high	170 Å²	170	76.2 Å²	76.2	75%	0.746	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	2.4	-177.5	-56	-64.4	0	0	0	114	F986 W990	F986-F988 PolarHBondContact O-N 3.34Å; F986-F988 VanDerWaalsContact O-N 3.14Å; F988-W990 PolarHBondContact O-N 2.95Å
989	D	88.7	Confident	90.1	Very high	37 Å²	37	73.7 Å²	73.7	20%	0.198	35%	0.352	C	S	.	.			trans	-87.3	87.6	176.4	-172.8	-14.1	0	0	0	110.2	F986 F991 I992 K993	F986-D989 HydrophobicContact CB-CB 4.13Å; F986-D989 HydrophobicContact CD1-CB 4.34Å; F986-D989 PolarHBondContact O-N 3Å; F986-D989 VanDerWaalsContact O-N 3.12Å; D989-F991 VanDerWaalsContact C-N 3.25Å; D989-F991 PolarHBondContact O-N 3.1Å; D989-F991 WeakPolarHBondContact OD1-CB 3.21Å; D989-F991 PolarHBondContact OD1-N 3.48Å; D989-I992 HydrophobicContact CB-CG2 3.93Å; D989-I992 PolarHBondContact OD1-N 3.23Å; D989-I992 VanDerWaalsContact OD1-N 3.08Å; D989-K993 WeakPolarHBondContact O-CB 3.26Å; D989-K993 WeakPolarHBondContact O-CG 3.24Å; D989-K993 PolarHBondContact O-N 3.34Å
990	W	87.9	Confident	90.1	Very high	200 Å²	200	71.8 Å²	71.8	76%	0.758	34%	0.339	S	S	*	.	H	α-helix	trans	-68.3	-25.8	176.6	-84.8	105.9	0	0	0	113.1	F988 S994	F988-W990 PolarHBondContact O-N 2.95Å; W990-S994 VanDerWaalsContact O-CB 3.26Å; W990-S994 WeakPolarHBondContact O-CB 3.34Å; W990-S994 PolarHBondContact O-N 3.45Å; W990-S994 PolarHBondContact O-OG 3.47Å
991	F	90.4	Very high	90	Very high	72 Å²	72	75.6 Å²	75.6	32%	0.316	36%	0.357	S	S	.	.	H	α-helix	trans	-63.7	-54	-178.7	170.3	-99.8	0	0	0	109.8	N949 Y950 D989 S994 R995	N949-F991 HydrophobicContact CB-CE1 4.41Å; N949-F991 HydrophobicContact CB-CE2 4.42Å; N949-F991 HydrophobicContact CB-CZ 3.76Å; N949-F991 WeakPolarHBondContact O-CE1 3.36Å; N949-F991 WeakPolarHBondContact O-CZ 3.35Å; Y950-F991 AromaticContact CD1-CE1 3.96Å; Y950-F991 HydrophobicContact CD1-CE1 3.96Å; Y950-F991 AromaticContact CE1-CE1 3.95Å; Y950-F991 HydrophobicContact CE1-CE1 3.95Å; Y950-F991 HydrophobicContact CE1-CZ 4.42Å; Y950-F991 HydrophobicContact CG-CE1 4.35Å; D989-F991 VanDerWaalsContact C-N 3.25Å; D989-F991 PolarHBondContact O-N 3.1Å; D989-F991 WeakPolarHBondContact OD1-CB 3.21Å; D989-F991 PolarHBondContact OD1-N 3.48Å; F991-S994 PolarHBondContact O-N 3.28Å; F991-S994 PolarHBondContact O-OG 3.38Å; F991-R995 PolarHBondContact O-NE 2.93Å
992	I	91.6	Very high	90	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-68.6	-38.6	180	-158.2	-176.2	0	0	0	111.7	E954 V980 F986 D989 S994 R995 F1000	E954-I992 HydrophobicContact CB-CD1 3.87Å; E954-I992 HydrophobicContact CG-CB 4.42Å; E954-I992 HydrophobicContact CG-CD1 3.79Å; E954-I992 HydrophobicContact CG-CG1 4.46Å; V980-I992 HydrophobicContact CG1-CB 4.36Å; V980-I992 HydrophobicContact CG1-CD1 3.8Å; V980-I992 HydrophobicContact CG1-CG1 3.8Å; V980-I992 HydrophobicContact CG1-CG2 3.86Å; V980-I992 HydrophobicContact CG2-CD1 4.3Å; F986-I992 HydrophobicContact CB-CG2 3.87Å; F986-I992 HydrophobicContact CD1-CG2 4.19Å; F986-I992 HydrophobicContact CD2-CD1 4.34Å; F986-I992 HydrophobicContact CD2-CG2 4.28Å; F986-I992 HydrophobicContact CE2-CD1 4.16Å; F986-I992 HydrophobicContact CG-CG2 3.86Å; F986-I992 HydrophobicContact CZ-CD1 4.37Å; D989-I992 HydrophobicContact CB-CG2 3.93Å; D989-I992 PolarHBondContact OD1-N 3.23Å; D989-I992 VanDerWaalsContact OD1-N 3.08Å; I992-S994 VanDerWaalsContact C-N 3.29Å; I992-S994 PolarHBondContact O-N 3.02Å; I992-R995 WeakPolarHBondContact O-CB 3.17Å; I992-R995 PolarHBondContact O-N 3.25Å; I992-F1000 HydrophobicContact CD1-CE1 4.21Å; I992-F1000 HydrophobicContact CG1-CE1 3.73Å; I992-F1000 HydrophobicContact CG1-CZ 3.99Å; I992-F1000 WeakPolarHBondContact O-CZ 3.2Å
993	K	89.2	Confident	89.9	Confident	44 Å²	44	72.5 Å²	72.5	19%	0.191	34%	0.335	C	S	.	.	H	α-helix	trans	-66.9	-25.8	-179	-77.5	-176.1	166	-178.9	0	114.8	R981 F986 R987 D989 R995	R981-K993 WeakPolarHBondContact O-CE 3.2Å; R981-K993 PolarHBondContact O-NZ 3.01Å; F986-K993 WeakPolarHBondContact O-CD 3.36Å; F986-K993 WeakPolarHBondContact O-CE 3.47Å; F986-K993 PolarHBondContact O-NZ 3.01Å; R987-K993 PolarHBondContact O-NZ 3.38Å; D989-K993 WeakPolarHBondContact O-CB 3.26Å; D989-K993 WeakPolarHBondContact O-CG 3.24Å; D989-K993 PolarHBondContact O-N 3.34Å; K993-R995 VanDerWaalsContact C-N 3.32Å
994	S	90.1	Very high	90	Very high	55 Å²	55	72.1 Å²	72.1	39%	0.385	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-10.6	178.5	62.9	0	0	0	0	113.5	W990 F991 I992	W990-S994 VanDerWaalsContact O-CB 3.26Å; W990-S994 WeakPolarHBondContact O-CB 3.34Å; W990-S994 PolarHBondContact O-N 3.45Å; W990-S994 PolarHBondContact O-OG 3.47Å; F991-S994 PolarHBondContact O-N 3.28Å; F991-S994 PolarHBondContact O-OG 3.38Å; I992-S994 VanDerWaalsContact C-N 3.29Å; I992-S994 PolarHBondContact O-N 3.02Å
995	R	91.5	Very high	90	Very high	58 Å²	58	70 Å²	70	22%	0.219	32%	0.315	C	S	.	.			trans	-69.1	150.1	-178.4	-61.7	-54.7	90	-149.9	1.3	112.5	R977 F991 I992 K993 E999 F1000	R977-R995 PolarHBondContact NE-O 3.4Å; R977-R995 VanDerWaalsContact NE-O 3.12Å; F991-R995 PolarHBondContact O-NE 2.93Å; I992-R995 WeakPolarHBondContact O-CB 3.17Å; I992-R995 PolarHBondContact O-N 3.25Å; K993-R995 VanDerWaalsContact C-N 3.32Å; R995-E999 WeakPolarHBondContact CA-OE2 3.4Å; R995-E999 HydrophobicContact CB-CB 4.32Å; R995-E999 WeakPolarHBondContact CD-OE2 3.48Å; R995-E999 IonicContact CZ-OE1 3.55Å; R995-E999 IonicContact CZ-OE2 2.69Å; R995-E999 IonicContact NE-OE2 3.26Å; R995-E999 VanDerWaalsContact NH1-CD 3.26Å; R995-E999 IonicContact NH1-OE1 3.7Å; R995-E999 PolarHBondContact NH1-OE1 3Å; R995-E999 IonicContact NH1-OE2 3.06Å; R995-E999 PolarHBondContact NH1-OE2 2.91Å; R995-E999 VanDerWaalsContact NH1-OE2 3.15Å; R995-F1000 HydrophobicContact CB-CD1 4.49Å; R995-F1000 HydrophobicContact CB-CD2 4.37Å; R995-F1000 HydrophobicContact CB-CE1 4Å; R995-F1000 HydrophobicContact CB-CE2 3.86Å; R995-F1000 HydrophobicContact CB-CZ 3.66Å; R995-F1000 HydrophobicContact CG-CE1 4.38Å; R995-F1000 HydrophobicContact CG-CZ 4.38Å
996	T	92.6	Very high	90.1	Very high	59 Å²	59	68.4 Å²	68.4	36%	0.362	31%	0.312	S	S	.	.			trans	-87.9	160.4	174.3	60.5	0	0	0	0	111.1	M998 E999 F1000	T996-M998 PolarHBondContact O-N 3.02Å; T996-E999 PolarHBondContact N-OE2 3.24Å; T996-E999 PolarHBondContact O-N 3.47Å; T996-E999 VanDerWaalsContact O-N 3.1Å; T996-E999 VanDerWaalsContact OG1-CG 3.29Å; T996-E999 WeakPolarHBondContact OG1-CG 3.22Å; T996-E999 PolarHBondContact OG1-N 3.27Å; T996-E999 PolarHBondContact OG1-OE2 2.72Å; T996-E999 VanDerWaalsContact OG1-OE2 3.06Å; T996-F1000 WeakPolarHBondContact O-CD2 3.47Å; T996-F1000 PolarHBondContact O-N 2.95Å
997	A	89.9	Confident	90	Very high	19 Å²	19	68.2 Å²	68.2	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-57.9	-36.9	175.2	0	0	0	0	0	112.5	E974 E999 F1000 Q1001	E974-A997 WeakPolarHBondContact OE2-CB 3.37Å; A997-E999 VanDerWaalsContact C-N 3.33Å; A997-E999 PolarHBondContact O-N 3.28Å; A997-F1000 PolarHBondContact O-N 2.75Å; A997-Q1001 WeakPolarHBondContact O-CB 3.03Å; A997-Q1001 PolarHBondContact O-N 3.19Å
998	M	90.1	Very high	90.2	Very high	103 Å²	103	60 Å²	60	51%	0.507	28%	0.28	S	S	.	.	H	α-helix	trans	-64.8	-35.2	176.4	-170.7	172.8	60.9	0	0	112.5	T996 R1002	T996-M998 PolarHBondContact O-N 3.02Å; M998-R1002 WeakPolarHBondContact O-CG 3.41Å; M998-R1002 PolarHBondContact O-N 3.12Å; M998-R1002 VanDerWaalsContact O-N 3.09Å
999	E	90.5	Very high	90.3	Very high	55 Å²	55	55.1 Å²	55.1	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-70.7	-40.7	174.7	-71.6	172.3	126.6	0	0	112.1	R995 T996 A997 Q1001 R1002 R1003	R995-E999 WeakPolarHBondContact CA-OE2 3.4Å; R995-E999 HydrophobicContact CB-CB 4.32Å; R995-E999 WeakPolarHBondContact CD-OE2 3.48Å; R995-E999 IonicContact CZ-OE1 3.55Å; R995-E999 IonicContact CZ-OE2 2.69Å; R995-E999 IonicContact NE-OE2 3.26Å; R995-E999 VanDerWaalsContact NH1-CD 3.26Å; R995-E999 IonicContact NH1-OE1 3.7Å; R995-E999 PolarHBondContact NH1-OE1 3Å; R995-E999 IonicContact NH1-OE2 3.06Å; R995-E999 PolarHBondContact NH1-OE2 2.91Å; R995-E999 VanDerWaalsContact NH1-OE2 3.15Å; T996-E999 PolarHBondContact N-OE2 3.24Å; T996-E999 PolarHBondContact O-N 3.47Å; T996-E999 VanDerWaalsContact O-N 3.1Å; T996-E999 VanDerWaalsContact OG1-CG 3.29Å; T996-E999 WeakPolarHBondContact OG1-CG 3.22Å; T996-E999 PolarHBondContact OG1-N 3.27Å; T996-E999 PolarHBondContact OG1-OE2 2.72Å; T996-E999 VanDerWaalsContact OG1-OE2 3.06Å; A997-E999 VanDerWaalsContact C-N 3.33Å; A997-E999 PolarHBondContact O-N 3.28Å; E999-Q1001 VanDerWaalsContact C-N 3.34Å; E999-R1002 PolarHBondContact O-N 3.08Å; E999-R1003 PolarHBondContact O-N 3.05Å
1000	F	92	Very high	90.3	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-42.3	172.1	-73	-52.2	0	0	0	111.8	L958 L976 R977 V980 I992 R995 T996 A997 R1002 R1003 C1004	L958-F1000 HydrophobicContact CD1-CD1 3.97Å; L958-F1000 HydrophobicContact CD1-CE1 4.33Å; L958-F1000 HydrophobicContact CD2-CD1 3.63Å; L958-F1000 HydrophobicContact CD2-CE1 3.77Å; L958-F1000 HydrophobicContact CD2-CG 4.47Å; L958-F1000 HydrophobicContact CG-CD1 4.48Å; L976-F1000 HydrophobicContact CD2-CB 4.39Å; R977-F1000 HydrophobicContact CB-CD2 3.97Å; R977-F1000 HydrophobicContact CB-CE2 3.9Å; R977-F1000 HydrophobicContact CG-CD2 4.41Å; R977-F1000 HydrophobicContact CG-CE2 3.99Å; V980-F1000 HydrophobicContact CB-CZ 4.19Å; V980-F1000 HydrophobicContact CG1-CZ 3.96Å; V980-F1000 HydrophobicContact CG2-CE1 4.29Å; V980-F1000 HydrophobicContact CG2-CZ 4.03Å; I992-F1000 HydrophobicContact CD1-CE1 4.21Å; I992-F1000 HydrophobicContact CG1-CE1 3.73Å; I992-F1000 HydrophobicContact CG1-CZ 3.99Å; I992-F1000 WeakPolarHBondContact O-CZ 3.2Å; R995-F1000 HydrophobicContact CB-CD1 4.49Å; R995-F1000 HydrophobicContact CB-CD2 4.37Å; R995-F1000 HydrophobicContact CB-CE1 4Å; R995-F1000 HydrophobicContact CB-CE2 3.86Å; R995-F1000 HydrophobicContact CB-CZ 3.66Å; R995-F1000 HydrophobicContact CG-CE1 4.38Å; R995-F1000 HydrophobicContact CG-CZ 4.38Å; T996-F1000 WeakPolarHBondContact O-CD2 3.47Å; T996-F1000 PolarHBondContact O-N 2.95Å; A997-F1000 PolarHBondContact O-N 2.75Å; F1000-R1002 PolarHBondContact O-N 3.39Å; F1000-R1003 PolarHBondContact O-N 3.38Å; F1000-C1004 WeakPolarHBondContact O-CB 3.41Å; F1000-C1004 PolarHBondContact O-N 3.47Å; F1000-C1004 PolarHBondContact O-SG 3.4Å
1001	Q	90.2	Very high	90.5	Very high	81 Å²	81	44.9 Å²	44.9	38%	0.379	23%	0.227	S	C	.	.	H	α-helix	trans	-57.1	-48.9	175	-179.9	177.7	27.7	0	0	112	Y973 A997 E999 R1003 C1004 N1005	Y973-Q1001 HydrophobicContact CD1-CB 3.94Å; Y973-Q1001 HydrophobicContact CD2-CB 3.86Å; Y973-Q1001 HydrophobicContact CD2-CG 3.93Å; Y973-Q1001 HydrophobicContact CE1-CB 3.99Å; Y973-Q1001 HydrophobicContact CE1-CG 4.22Å; Y973-Q1001 HydrophobicContact CE2-CB 3.9Å; Y973-Q1001 HydrophobicContact CE2-CG 3.52Å; Y973-Q1001 HydrophobicContact CG-CB 3.87Å; Y973-Q1001 HydrophobicContact CG-CG 4.41Å; A997-Q1001 WeakPolarHBondContact O-CB 3.03Å; A997-Q1001 PolarHBondContact O-N 3.19Å; E999-Q1001 VanDerWaalsContact C-N 3.34Å; Q1001-R1003 VanDerWaalsContact C-N 3.33Å; Q1001-R1003 PolarHBondContact O-N 3.06Å; Q1001-C1004 PolarHBondContact O-N 2.9Å; Q1001-N1005 WeakPolarHBondContact O-CB 3.23Å; Q1001-N1005 VanDerWaalsContact O-CG 3.26Å; Q1001-N1005 PolarHBondContact O-N 3.02Å; Q1001-N1005 PolarHBondContact O-ND2 2.97Å
1002	R	89.4	Confident	90.4	Very high	155 Å²	155	42.6 Å²	42.6	59%	0.585	22%	0.217	S	C	*	.	H	α-helix	trans	-60.3	-43.1	176.9	-71.2	175.8	-169	174.3	3.6	111.8	M998 E999 F1000 N1005 T1006	M998-R1002 WeakPolarHBondContact O-CG 3.41Å; M998-R1002 PolarHBondContact O-N 3.12Å; M998-R1002 VanDerWaalsContact O-N 3.09Å; E999-R1002 PolarHBondContact O-N 3.08Å; F1000-R1002 PolarHBondContact O-N 3.39Å; R1002-N1005 PolarHBondContact O-N 2.77Å; R1002-T1006 PolarHBondContact O-N 3.42Å; R1002-T1006 VanDerWaalsContact O-N 3.16Å; R1002-T1006 PolarHBondContact O-OG1 2.91Å; R1002-T1006 VanDerWaalsContact O-OG1 3.09Å
1003	R	90.3	Very high	90.3	Very high	22 Å²	22	48.2 Å²	48.2	8%	0.083	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-50.1	179.1	-174.9	55	176.4	178.8	-0.9	111.3	Y950 D955 L958 E999 F1000 Q1001 N1005 T1006 L1007	Y950-R1003 HydrophobicContact CD1-CG 4.26Å; Y950-R1003 HydrophobicContact CD2-CG 4.04Å; Y950-R1003 HydrophobicContact CE1-CG 4.15Å; Y950-R1003 HydrophobicContact CE2-CB 4.27Å; Y950-R1003 HydrophobicContact CE2-CG 3.92Å; Y950-R1003 HydrophobicContact CG-CG 4.2Å; D955-R1003 VanDerWaalsContact CG-NH2 3.29Å; D955-R1003 IonicContact OD1-CZ 2.73Å; D955-R1003 IonicContact OD1-NE 3.64Å; D955-R1003 PolarHBondContact OD1-NE 2.85Å; D955-R1003 IonicContact OD1-NH2 2.67Å; D955-R1003 PolarHBondContact OD1-NH2 3.22Å; D955-R1003 IonicContact OD2-CZ 3.58Å; D955-R1003 IonicContact OD2-NE 2.92Å; D955-R1003 IonicContact OD2-NH2 2.62Å; D955-R1003 PolarHBondContact OD2-NH2 3.47Å; L958-R1003 HydrophobicContact CD1-CG 4.02Å; E999-R1003 PolarHBondContact O-N 3.05Å; F1000-R1003 PolarHBondContact O-N 3.38Å; Q1001-R1003 VanDerWaalsContact C-N 3.33Å; Q1001-R1003 PolarHBondContact O-N 3.06Å; R1003-N1005 VanDerWaalsContact C-N 3.3Å; R1003-N1005 PolarHBondContact O-N 3.11Å; R1003-T1006 WeakPolarHBondContact O-CB 3.31Å; R1003-T1006 PolarHBondContact O-N 2.89Å; R1003-T1006 VanDerWaalsContact O-N 3.07Å; R1003-L1007 HydrophobicContact CG-CD1 4.19Å; R1003-L1007 WeakPolarHBondContact O-CG 3.32Å; R1003-L1007 PolarHBondContact O-N 3.37Å
1004	C	90.9	Very high	90.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-55.4	-43.8	176	-72	0	0	0	0	111.8	L962 Y973 F1000 Q1001 T1006 L1007 I1008	L962-C1004 HydrophobicContact CD2-CB 3.88Å; Y973-C1004 HydrophobicContact CE1-CB 3.95Å; F1000-C1004 WeakPolarHBondContact O-CB 3.41Å; F1000-C1004 PolarHBondContact O-N 3.47Å; F1000-C1004 PolarHBondContact O-SG 3.4Å; Q1001-C1004 PolarHBondContact O-N 2.9Å; C1004-T1006 VanDerWaalsContact C-N 3.31Å; C1004-T1006 PolarHBondContact O-N 3.42Å; C1004-L1007 PolarHBondContact O-N 3.49Å; C1004-I1008 WeakPolarHBondContact O-CB 3.4Å; C1004-I1008 WeakPolarHBondContact O-CD1 3.3Å; C1004-I1008 WeakPolarHBondContact O-CG1 3.28Å; C1004-I1008 PolarHBondContact O-N 2.87Å
1005	N	89.9	Confident	90.2	Very high	64 Å²	64	44.9 Å²	44.9	34%	0.342	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-37.6	177.1	-74.2	-21.1	0	0	0	112.9	Q1001 R1002 R1003 S1009	Q1001-N1005 WeakPolarHBondContact O-CB 3.23Å; Q1001-N1005 VanDerWaalsContact O-CG 3.26Å; Q1001-N1005 PolarHBondContact O-N 3.02Å; Q1001-N1005 PolarHBondContact O-ND2 2.97Å; R1002-N1005 PolarHBondContact O-N 2.77Å; R1003-N1005 VanDerWaalsContact C-N 3.3Å; R1003-N1005 PolarHBondContact O-N 3.11Å; N1005-S1009 PolarHBondContact O-N 3.48Å; N1005-S1009 VanDerWaalsContact O-N 3.09Å
1006	T	89.4	Confident	90	Very high	64 Å²	64	47.4 Å²	47.4	39%	0.393	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-45.3	174.3	-55.4	0	0	0	0	111	R1002 R1003 C1004 S1009 L1010	R1002-T1006 PolarHBondContact O-N 3.42Å; R1002-T1006 VanDerWaalsContact O-N 3.16Å; R1002-T1006 PolarHBondContact O-OG1 2.91Å; R1002-T1006 VanDerWaalsContact O-OG1 3.09Å; R1003-T1006 WeakPolarHBondContact O-CB 3.31Å; R1003-T1006 PolarHBondContact O-N 2.89Å; R1003-T1006 VanDerWaalsContact O-N 3.07Å; C1004-T1006 VanDerWaalsContact C-N 3.31Å; C1004-T1006 PolarHBondContact O-N 3.42Å; T1006-S1009 PolarHBondContact O-N 3.45Å; T1006-L1010 WeakPolarHBondContact O-CG 3.35Å; T1006-L1010 PolarHBondContact O-N 2.99Å; T1006-L1010 VanDerWaalsContact O-N 3.11Å
1007	L	90.5	Very high	89.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-40.4	179.6	-62.2	173.6	0	0	0	111.9	I940 Y942 D955 I959 R1003 C1004 S1009 L1010 I1011	I940-L1007 HydrophobicContact CD1-CD2 4.08Å; I940-L1007 HydrophobicContact CG2-CD2 4.4Å; Y942-L1007 HydrophobicContact CE1-CD2 4.37Å; D955-L1007 HydrophobicContact CB-CD1 3.76Å; D955-L1007 HydrophobicContact CB-CD2 3.93Å; I959-L1007 HydrophobicContact CD1-CB 3.58Å; I959-L1007 HydrophobicContact CD1-CD1 4.08Å; I959-L1007 HydrophobicContact CD1-CG 4.5Å; I959-L1007 HydrophobicContact CG1-CB 3.95Å; I959-L1007 HydrophobicContact CG1-CD1 3.87Å; R1003-L1007 HydrophobicContact CG-CD1 4.19Å; R1003-L1007 WeakPolarHBondContact O-CG 3.32Å; R1003-L1007 PolarHBondContact O-N 3.37Å; C1004-L1007 PolarHBondContact O-N 3.49Å; L1007-S1009 VanDerWaalsContact C-N 3.34Å; L1007-S1009 PolarHBondContact O-N 3.44Å; L1007-L1010 HydrophobicContact CD2-CD1 4.49Å; L1007-L1010 PolarHBondContact O-N 2.85Å; L1007-I1011 VanDerWaalsContact O-CG1 3.29Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.47Å; L1007-I1011 PolarHBondContact O-N 3.29Å
1008	I	90.3	Very high	89.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-58.4	-46.1	174.1	-73.3	163.7	0	0	0	110.4	I920 L924 L962 F967 C1004 L1010 I1011 E1012	I920-I1008 HydrophobicContact CB-CG2 4.41Å; I920-I1008 HydrophobicContact CD1-CD1 4.4Å; I920-I1008 HydrophobicContact CD1-CG2 4.19Å; I920-I1008 HydrophobicContact CG1-CG2 3.73Å; I920-I1008 HydrophobicContact CG2-CD1 3.78Å; I920-I1008 HydrophobicContact CG2-CG1 4.22Å; I920-I1008 HydrophobicContact CG2-CG2 4.13Å; L924-I1008 HydrophobicContact CD2-CG1 4.43Å; L962-I1008 HydrophobicContact CD2-CD1 4.02Å; F967-I1008 HydrophobicContact CD2-CD1 4.42Å; F967-I1008 HydrophobicContact CE2-CD1 3.96Å; C1004-I1008 WeakPolarHBondContact O-CB 3.4Å; C1004-I1008 WeakPolarHBondContact O-CD1 3.3Å; C1004-I1008 WeakPolarHBondContact O-CG1 3.28Å; C1004-I1008 PolarHBondContact O-N 2.87Å; I1008-L1010 VanDerWaalsContact C-N 3.32Å; I1008-L1010 PolarHBondContact O-N 3.2Å; I1008-I1011 PolarHBondContact O-N 2.94Å; I1008-I1011 VanDerWaalsContact O-N 3.17Å; I1008-E1012 HydrophobicContact CG2-CG 4.43Å; I1008-E1012 WeakPolarHBondContact O-CG 3.43Å; I1008-E1012 PolarHBondContact O-N 3.4Å
1009	S	90	Very high	89.4	Confident	68 Å²	68	48.2 Å²	48.2	48%	0.476	23%	0.233	S	C	.	.	H	α-helix	trans	-62.1	-38.8	178.1	-178.3	0	0	0	0	112.6	N1005 T1006 L1007 E1012 K1013	N1005-S1009 PolarHBondContact O-N 3.48Å; N1005-S1009 VanDerWaalsContact O-N 3.09Å; T1006-S1009 PolarHBondContact O-N 3.45Å; L1007-S1009 VanDerWaalsContact C-N 3.34Å; L1007-S1009 PolarHBondContact O-N 3.44Å; S1009-E1012 PolarHBondContact O-N 3.31Å; S1009-K1013 PolarHBondContact O-N 3.12Å
1010	L	89.8	Confident	89.2	Confident	21 Å²	21	52.1 Å²	52.1	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-41.9	173.9	-68.5	171.5	0	0	0	111.8	I940 Y942 T1006 L1007 I1008 K1013 E1014	I940-L1010 HydrophobicContact CG2-CD1 4.35Å; Y942-L1010 HydrophobicContact CD1-CD1 4.16Å; T1006-L1010 WeakPolarHBondContact O-CG 3.35Å; T1006-L1010 PolarHBondContact O-N 2.99Å; T1006-L1010 VanDerWaalsContact O-N 3.11Å; L1007-L1010 HydrophobicContact CD2-CD1 4.49Å; L1007-L1010 PolarHBondContact O-N 2.85Å; I1008-L1010 VanDerWaalsContact C-N 3.32Å; I1008-L1010 PolarHBondContact O-N 3.2Å; L1010-K1013 PolarHBondContact O-N 3.07Å; L1010-E1014 WeakPolarHBondContact O-CB 3.48Å; L1010-E1014 PolarHBondContact O-N 2.86Å
1011	I	91	Very high	88.9	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-42.4	177.6	-68.7	165.8	0	0	0	111.2	A923 L924 K927 I959 L1007 I1008 K1013 E1014 N1015	A923-I1011 HydrophobicContact CB-CG2 4.37Å; A923-I1011 WeakPolarHBondContact O-CG2 3.45Å; L924-I1011 HydrophobicContact CD2-CD1 3.99Å; K927-I1011 HydrophobicContact CB-CG2 3.61Å; K927-I1011 HydrophobicContact CD-CG1 4.45Å; K927-I1011 HydrophobicContact CD-CG2 4.28Å; K927-I1011 HydrophobicContact CG-CD1 4.19Å; K927-I1011 HydrophobicContact CG-CG1 4.17Å; K927-I1011 HydrophobicContact CG-CG2 3.9Å; I959-I1011 HydrophobicContact CD1-CD1 3.92Å; I959-I1011 HydrophobicContact CG1-CD1 4.03Å; I959-I1011 HydrophobicContact CG2-CD1 3.94Å; L1007-I1011 VanDerWaalsContact O-CG1 3.29Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.47Å; L1007-I1011 PolarHBondContact O-N 3.29Å; I1008-I1011 PolarHBondContact O-N 2.94Å; I1008-I1011 VanDerWaalsContact O-N 3.17Å; I1011-K1013 VanDerWaalsContact C-N 3.32Å; I1011-K1013 PolarHBondContact O-N 3.33Å; I1011-E1014 PolarHBondContact O-N 3.15Å; I1011-N1015 WeakPolarHBondContact O-CB 3.45Å; I1011-N1015 PolarHBondContact O-N 2.99Å; I1011-N1015 PolarHBondContact O-ND2 3.41Å
1012	E	90.1	Very high	88.7	Confident	24 Å²	24	60.6 Å²	60.6	11%	0.112	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-45.2	174.7	-75.2	-179.7	146.6	0	0	110.8	R916 S919 A923 I1008 S1009 N1015 M1016	R916-E1012 IonicContact CZ-OE1 2.84Å; R916-E1012 IonicContact CZ-OE2 3.36Å; R916-E1012 VanDerWaalsContact CZ-OE2 3.25Å; R916-E1012 VanDerWaalsContact NH1-CD 3.34Å; R916-E1012 IonicContact NH1-OE1 3.02Å; R916-E1012 PolarHBondContact NH1-OE1 3.34Å; R916-E1012 IonicContact NH1-OE2 3.18Å; R916-E1012 PolarHBondContact NH1-OE2 2.87Å; R916-E1012 IonicContact NH2-OE1 3.29Å; R916-E1012 IonicContact NH2-OE2 2.63Å; R916-E1012 PolarHBondContact NH2-OE2 3.43Å; S919-E1012 PolarHBondContact OG-OE1 2.94Å; A923-E1012 HydrophobicContact CB-CG 3.72Å; I1008-E1012 HydrophobicContact CG2-CG 4.43Å; I1008-E1012 WeakPolarHBondContact O-CG 3.43Å; I1008-E1012 PolarHBondContact O-N 3.4Å; S1009-E1012 PolarHBondContact O-N 3.31Å; E1012-N1015 PolarHBondContact O-N 3.33Å; E1012-M1016 WeakPolarHBondContact O-CG 3.21Å; E1012-M1016 PolarHBondContact O-N 3Å
1013	K	88.8	Confident	88.3	Confident	119 Å²	119	60.3 Å²	60.3	52%	0.517	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-46.4	175.9	-171.7	179.3	178.2	-178	0	112.5	S1009 L1010 I1011 N1015 M1016 E1017	S1009-K1013 PolarHBondContact O-N 3.12Å; L1010-K1013 PolarHBondContact O-N 3.07Å; I1011-K1013 VanDerWaalsContact C-N 3.32Å; I1011-K1013 PolarHBondContact O-N 3.33Å; K1013-N1015 VanDerWaalsContact C-N 3.29Å; K1013-N1015 PolarHBondContact O-N 3.13Å; K1013-M1016 PolarHBondContact O-N 3.35Å; K1013-E1017 VanDerWaalsContact CE-OE1 3.26Å; K1013-E1017 WeakPolarHBondContact CE-OE1 3.26Å; K1013-E1017 WeakPolarHBondContact O-CG 3.46Å; K1013-E1017 PolarHBondContact O-N 2.93Å
1014	E	89.1	Confident	87.9	Confident	8 Å²	8	61.7 Å²	61.7	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-42.1	176.4	-173.8	-168.8	145.8	0	0	111.5	K927 R930 Q941 L1010 I1011 E1017 I1018	K927-E1014 IonicContact NZ-OE1 2.71Å; K927-E1014 PolarHBondContact NZ-OE1 2.86Å; K927-E1014 IonicContact NZ-OE2 3.74Å; K927-E1014 PolarHBondContact NZ-OE2 3.17Å; R930-E1014 IonicContact NH1-OE1 2.7Å; R930-E1014 PolarHBondContact NH1-OE1 2.71Å; Q941-E1014 HydrophobicContact CG-CG 4.46Å; L1010-E1014 WeakPolarHBondContact O-CB 3.48Å; L1010-E1014 PolarHBondContact O-N 2.86Å; I1011-E1014 PolarHBondContact O-N 3.15Å; E1014-E1017 PolarHBondContact O-N 3.3Å; E1014-I1018 HydrophobicContact CG-CD1 3.91Å; E1014-I1018 WeakPolarHBondContact O-CD1 3.39Å; E1014-I1018 VanDerWaalsContact O-CG1 3.3Å; E1014-I1018 WeakPolarHBondContact O-CG1 3.3Å; E1014-I1018 PolarHBondContact O-N 3.02Å
1015	N	88.9	Confident	87.4	Confident	20 Å²	20	67.2 Å²	67.2	11%	0.107	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-42.3	178	-71.2	-14.4	0	0	0	111.9	A923 R930 I1011 E1012 K1013 I1018 E1019	A923-N1015 WeakPolarHBondContact CA-ND2 3.4Å; A923-N1015 PolarHBondContact O-ND2 3.12Å; R930-N1015 PolarHBondContact NH1-OD1 3Å; R930-N1015 PolarHBondContact NH2-OD1 3.36Å; I1011-N1015 WeakPolarHBondContact O-CB 3.45Å; I1011-N1015 PolarHBondContact O-N 2.99Å; I1011-N1015 PolarHBondContact O-ND2 3.41Å; E1012-N1015 PolarHBondContact O-N 3.33Å; K1013-N1015 VanDerWaalsContact C-N 3.29Å; K1013-N1015 PolarHBondContact O-N 3.13Å; N1015-I1018 PolarHBondContact O-N 3.44Å; N1015-E1019 WeakPolarHBondContact O-CB 3.47Å; N1015-E1019 PolarHBondContact O-N 2.94Å
1016	M	87	Confident	86.9	Confident	112 Å²	112	71.2 Å²	71.2	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-62	-46.5	175.1	-72.6	-173.9	-69.4	0	0	111.9	E1012 K1013 I1018 E1019 E1020	E1012-M1016 WeakPolarHBondContact O-CG 3.21Å; E1012-M1016 PolarHBondContact O-N 3Å; K1013-M1016 PolarHBondContact O-N 3.35Å; M1016-I1018 VanDerWaalsContact C-N 3.28Å; M1016-I1018 PolarHBondContact O-N 3.24Å; M1016-E1019 PolarHBondContact O-N 3.02Å; M1016-E1020 WeakPolarHBondContact O-CG 3.44Å; M1016-E1020 PolarHBondContact O-N 3.3Å
1017	E	88.4	Confident	86.3	Confident	67 Å²	67	75.8 Å²	75.8	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-36.7	178.4	-71.9	179.2	-166.3	0	0	112.4	K1013 E1014 R1021	K1013-E1017 VanDerWaalsContact CE-OE1 3.26Å; K1013-E1017 WeakPolarHBondContact CE-OE1 3.26Å; K1013-E1017 WeakPolarHBondContact O-CG 3.46Å; K1013-E1017 PolarHBondContact O-N 2.93Å; E1014-E1017 PolarHBondContact O-N 3.3Å; E1017-R1021 VanDerWaalsContact O-CG 3.3Å; E1017-R1021 WeakPolarHBondContact O-CG 3.16Å; E1017-R1021 PolarHBondContact O-N 3.17Å; E1017-R1021 VanDerWaalsContact O-N 3.11Å
1018	I	86.1	Confident	85.6	Confident	38 Å²	38	82.7 Å²	82.7	20%	0.195	38%	0.384	C	S	.	.	H	α-helix	trans	-70.5	-44.5	176.2	-70.8	165.4	0	0	0	110.8	E1014 N1015 M1016 E1020 R1021 E1022	E1014-I1018 HydrophobicContact CG-CD1 3.91Å; E1014-I1018 WeakPolarHBondContact O-CD1 3.39Å; E1014-I1018 VanDerWaalsContact O-CG1 3.3Å; E1014-I1018 WeakPolarHBondContact O-CG1 3.3Å; E1014-I1018 PolarHBondContact O-N 3.02Å; N1015-I1018 PolarHBondContact O-N 3.44Å; M1016-I1018 VanDerWaalsContact C-N 3.28Å; M1016-I1018 PolarHBondContact O-N 3.24Å; I1018-E1020 VanDerWaalsContact C-N 3.31Å; I1018-E1020 PolarHBondContact O-N 3.36Å; I1018-R1021 PolarHBondContact O-N 3.37Å; I1018-E1022 HydrophobicContact CG2-CG 4.47Å; I1018-E1022 WeakPolarHBondContact O-CG 3.45Å; I1018-E1022 PolarHBondContact O-N 3.44Å
1019	E	85.2	Confident	84.6	Confident	92 Å²	92	91.8 Å²	91.8	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-62.5	-39.1	178.6	-162.7	-177.4	162.9	0	0	111.5	N1015 M1016 E1022 R1023	N1015-E1019 WeakPolarHBondContact O-CB 3.47Å; N1015-E1019 PolarHBondContact O-N 2.94Å; M1016-E1019 PolarHBondContact O-N 3.02Å; E1019-E1022 PolarHBondContact O-N 2.84Å; E1019-R1023 WeakPolarHBondContact O-CB 3.45Å; E1019-R1023 VanDerWaalsContact O-CG 3.27Å; E1019-R1023 WeakPolarHBondContact O-CG 3.49Å; E1019-R1023 PolarHBondContact O-N 3.06Å; E1019-R1023 IonicContact OE1-CZ 3.32Å; E1019-R1023 IonicContact OE1-NE 2.7Å; E1019-R1023 PolarHBondContact OE1-NE 2.9Å; E1019-R1023 IonicContact OE1-NH2 3.43Å; E1019-R1023 PolarHBondContact OE1-NH2 2.88Å
1020	E	85.6	Confident	83.4	Confident	137 Å²	137	92.1 Å²	92.1	64%	0.64	43%	0.425	S	S	*	.	H	α-helix	trans	-63.4	-42.6	172.8	-75.9	-174.2	166.6	0	0	112.6	M1016 I1018 R1023 A1024	M1016-E1020 WeakPolarHBondContact O-CG 3.44Å; M1016-E1020 PolarHBondContact O-N 3.3Å; I1018-E1020 VanDerWaalsContact C-N 3.31Å; I1018-E1020 PolarHBondContact O-N 3.36Å; E1020-R1023 PolarHBondContact O-N 2.94Å; E1020-A1024 WeakPolarHBondContact O-CB 3.39Å; E1020-A1024 PolarHBondContact O-N 3.12Å
1021	R	86.1	Confident	82	Confident	155 Å²	155	96.9 Å²	96.9	59%	0.585	46%	0.455	S	S	*	.	H	α-helix	trans	-62.4	-45.1	175.1	-75.5	177	-163.3	178.2	9.8	111.6	E1017 I1018 R1023 A1024 E1025	E1017-R1021 VanDerWaalsContact O-CG 3.3Å; E1017-R1021 WeakPolarHBondContact O-CG 3.16Å; E1017-R1021 PolarHBondContact O-N 3.17Å; E1017-R1021 VanDerWaalsContact O-N 3.11Å; I1018-R1021 PolarHBondContact O-N 3.37Å; R1021-R1023 PolarHBondContact O-N 3.09Å; R1021-A1024 PolarHBondContact O-N 3.29Å; R1021-E1025 WeakPolarHBondContact O-CG 3.35Å; R1021-E1025 PolarHBondContact O-N 3.36Å
1022	E	85	Confident	80.2	Confident	105 Å²	105	105.1 Å²	105.1	49%	0.491	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-40.5	176.9	-73.5	-176.2	-177.5	0	0	112	I1018 E1019 E1025 K1026	I1018-E1022 HydrophobicContact CG2-CG 4.47Å; I1018-E1022 WeakPolarHBondContact O-CG 3.45Å; I1018-E1022 PolarHBondContact O-N 3.44Å; E1019-E1022 PolarHBondContact O-N 2.84Å; E1022-E1025 PolarHBondContact O-N 2.8Å; E1022-K1026 WeakPolarHBondContact O-CB 2.88Å; E1022-K1026 WeakPolarHBondContact O-CG 3.48Å; E1022-K1026 PolarHBondContact O-N 3.17Å
1023	R	82.2	Confident	78	Confident	150 Å²	150	109.3 Å²	109.3	57%	0.566	52%	0.518	S	S	*	.	H	α-helix	trans	-63.3	-42	173.6	-74.4	174.7	-174.3	-164.1	3.1	111.5	E1019 E1020 R1021 K1026 K1027	E1019-R1023 WeakPolarHBondContact O-CB 3.45Å; E1019-R1023 VanDerWaalsContact O-CG 3.27Å; E1019-R1023 WeakPolarHBondContact O-CG 3.49Å; E1019-R1023 PolarHBondContact O-N 3.06Å; E1019-R1023 IonicContact OE1-CZ 3.32Å; E1019-R1023 IonicContact OE1-NE 2.7Å; E1019-R1023 PolarHBondContact OE1-NE 2.9Å; E1019-R1023 IonicContact OE1-NH2 3.43Å; E1019-R1023 PolarHBondContact OE1-NH2 2.88Å; E1020-R1023 PolarHBondContact O-N 2.94Å; R1021-R1023 PolarHBondContact O-N 3.09Å; R1023-K1026 PolarHBondContact O-N 3.24Å; R1023-K1027 WeakPolarHBondContact O-CG 3.31Å; R1023-K1027 PolarHBondContact O-N 3.41Å
1024	A	82.2	Confident	76	Confident	50 Å²	50	108.3 Å²	108.3	41%	0.413	52%	0.524	S	S	.	.	H	α-helix	trans	-65.8	-39.6	176.4	0	0	0	0	0	112.2	E1020 R1021 K1027 K1028	E1020-A1024 WeakPolarHBondContact O-CB 3.39Å; E1020-A1024 PolarHBondContact O-N 3.12Å; R1021-A1024 PolarHBondContact O-N 3.29Å; A1024-K1027 PolarHBondContact O-N 2.95Å; A1024-K1028 WeakPolarHBondContact O-CG 3.45Å; A1024-K1028 PolarHBondContact O-N 3.09Å
1025	E	80.8	Confident	73.8	Confident	117 Å²	117	116.5 Å²	116.5	55%	0.547	57%	0.565	S	S	.	*	H	α-helix	trans	-67.9	-40.9	174.9	-76	-171.5	172.3	0	0	112.6	R1021 E1022 K1027 K1028 R1029	R1021-E1025 WeakPolarHBondContact O-CG 3.35Å; R1021-E1025 PolarHBondContact O-N 3.36Å; E1022-E1025 PolarHBondContact O-N 2.8Å; E1025-K1027 VanDerWaalsContact C-N 3.34Å; E1025-K1027 PolarHBondContact O-N 3.05Å; E1025-K1028 PolarHBondContact O-N 3.42Å; E1025-R1029 PolarHBondContact O-N 2.92Å
1026	K	77.5	Confident	71.7	Confident	147 Å²	147	121.6 Å²	121.6	64%	0.639	60%	0.596	S	S	*	*	H	α-helix	trans	-60.1	-43.5	172.3	-78.2	177.7	179.6	173.7	0	111.4	E1022 R1023 K1028 R1029 A1030	E1022-K1026 WeakPolarHBondContact O-CB 2.88Å; E1022-K1026 WeakPolarHBondContact O-CG 3.48Å; E1022-K1026 PolarHBondContact O-N 3.17Å; R1023-K1026 PolarHBondContact O-N 3.24Å; K1026-K1028 PolarHBondContact O-N 2.92Å; K1026-R1029 PolarHBondContact O-N 3.31Å; K1026-A1030 WeakPolarHBondContact O-CB 3.47Å; K1026-A1030 PolarHBondContact O-N 2.99Å
1027	K	77.2	Confident	69.6	Low	160 Å²	160	124.7 Å²	124.7	70%	0.696	61%	0.607	S	S	*	*	H	α-helix	trans	-61.1	-40.4	173.5	-76.4	-177.9	177.3	-177.7	0	112.4	R1023 A1024 E1025 T1031	R1023-K1027 WeakPolarHBondContact O-CG 3.31Å; R1023-K1027 PolarHBondContact O-N 3.41Å; A1024-K1027 PolarHBondContact O-N 2.95Å; E1025-K1027 VanDerWaalsContact C-N 3.34Å; E1025-K1027 PolarHBondContact O-N 3.05Å; K1027-T1031 PolarHBondContact O-N 3.14Å; K1027-T1031 PolarHBondContact O-OG1 3.16Å; K1027-T1031 VanDerWaalsContact O-OG1 3.09Å
1028	K	75.6	Confident	67.4	Low	146 Å²	146	131.5 Å²	131.5	64%	0.635	64%	0.636	S	S	*	*	H	α-helix	trans	-68.4	-34	175.4	-77.6	-179	178.7	177.8	0	113.7	A1024 E1025 K1026 T1031 K1032	A1024-K1028 WeakPolarHBondContact O-CG 3.45Å; A1024-K1028 PolarHBondContact O-N 3.09Å; E1025-K1028 PolarHBondContact O-N 3.42Å; K1026-K1028 PolarHBondContact O-N 2.92Å; K1028-T1031 PolarHBondContact O-OG1 2.96Å; K1028-K1032 WeakPolarHBondContact O-CB 3.46Å; K1028-K1032 WeakPolarHBondContact O-CG 3.09Å; K1028-K1032 PolarHBondContact O-N 3.5Å
1029	R	71.1	Confident	65.4	Low	191 Å²	191	134.6 Å²	134.6	72%	0.721	66%	0.66	S	S	*	*	H	α-helix	trans	-72.9	-40.4	175.6	-77	-176.5	177.2	-177	1.3	111.4	E1025 K1026 T1031 K1032 T1033	E1025-R1029 PolarHBondContact O-N 2.92Å; K1026-R1029 PolarHBondContact O-N 3.31Å; R1029-T1031 VanDerWaalsContact C-N 3.29Å; R1029-T1031 PolarHBondContact O-N 2.8Å; R1029-K1032 PolarHBondContact O-N 3.43Å; R1029-K1032 VanDerWaalsContact O-N 3.07Å; R1029-T1033 PolarHBondContact O-N 2.82Å; R1029-T1033 PolarHBondContact O-OG1 2.97Å
1030	A	64	Low	63.3	Low	76 Å²	76	134.8 Å²	134.8	63%	0.628	68%	0.678	S	S	*	*	H	α-helix	trans	-60	-38.3	176.5	0	0	0	0	0	112.5	K1026 K1032	K1026-A1030 WeakPolarHBondContact O-CB 3.47Å; K1026-A1030 PolarHBondContact O-N 2.99Å; A1030-K1032 VanDerWaalsContact C-N 3.34Å
1031	T	60.5	Low	60.9	Low	120 Å²	120	137.8 Å²	137.8	74%	0.736	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-12.4	175.9	45.5	0	0	0	0	114.6	K1027 K1028 R1029	K1027-T1031 PolarHBondContact O-N 3.14Å; K1027-T1031 PolarHBondContact O-OG1 3.16Å; K1027-T1031 VanDerWaalsContact O-OG1 3.09Å; K1028-T1031 PolarHBondContact O-OG1 2.96Å; R1029-T1031 VanDerWaalsContact C-N 3.29Å; R1029-T1031 PolarHBondContact O-N 2.8Å
1032	K	53.4	Low	58.4	Low	173 Å²	173	139 Å²	139	75%	0.752	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	2	-177.9	-84.1	-168.1	176.4	-170.8	0	115.3	K1028 R1029 A1030 P1034	K1028-K1032 WeakPolarHBondContact O-CB 3.46Å; K1028-K1032 WeakPolarHBondContact O-CG 3.09Å; K1028-K1032 PolarHBondContact O-N 3.5Å; R1029-K1032 PolarHBondContact O-N 3.43Å; R1029-K1032 VanDerWaalsContact O-N 3.07Å; A1030-K1032 VanDerWaalsContact C-N 3.34Å; K1032-P1034 WeakPolarHBondContact O-CD 3.1Å
1033	T	43.4	Very low	57.1	Low	112 Å²	112	140.8 Å²	140.8	69%	0.687	73%	0.733	S	S	*	*			trans	-74.1	107.3	172.1	-35	0	0	0	0	108.4	R1029	R1029-T1033 PolarHBondContact O-N 2.82Å; R1029-T1033 PolarHBondContact O-OG1 2.97Å
1034	P	46.6	Very low	55.8	Low	99 Å²	99	140.3 Å²	140.3	64%	0.643	74%	0.742	S	S	*	*			trans	-73.7	138.5	179.7	-4	23.4	0	0	0	108.2	K1032 V1036	K1032-P1034 WeakPolarHBondContact O-CD 3.1Å; P1034-V1036 PolarHBondContact O-N 2.96Å
1035	M	43.5	Very low	54.3	Low	180 Å²	180	145.3 Å²	145.3	89%	0.887	76%	0.761	S	S	*	*			trans	-50.9	104.6	161.3	-83.3	-174.4	174.2	0	0	108.1	K1037	M1035-K1037 PolarHBondContact O-N 3.24Å
1036	V	44.3	Very low	52.7	Low	126 Å²	126	146.9 Å²	146.9	76%	0.764	77%	0.773	S	S	*	*			trans	-69.9	92.1	169.1	179.2	0	0	0	0	105.9	P1034 F1038	P1034-V1036 PolarHBondContact O-N 2.96Å; V1036-F1038 PolarHBondContact O-N 3.2Å; V1036-F1038 VanDerWaalsContact O-N 3.15Å
1037	K	43.5	Very low	51.2	Low	178 Å²	178	146.9 Å²	146.9	77%	0.774	78%	0.781	S	S	*	*			trans	-60	111.2	166.4	-79.1	-178.5	174.8	179.7	0	107.1	M1035 S1039	M1035-K1037 PolarHBondContact O-N 3.24Å; K1037-S1039 VanDerWaalsContact C-N 3.3Å; K1037-S1039 PolarHBondContact O-N 3.17Å
1038	F	41.8	Very low	49.4	Very low	210 Å²	210	146.1 Å²	146.1	92%	0.921	79%	0.787	S	S	*	*			trans	-59.1	97.3	157.4	-86	-94.3	0	0	0	107.6	V1036	V1036-F1038 PolarHBondContact O-N 3.2Å; V1036-F1038 VanDerWaalsContact O-N 3.15Å
1039	S	42.9	Very low	47.6	Very low	102 Å²	102	146.1 Å²	146.1	71%	0.713	80%	0.798	S	S	*	*			trans	-101.7	118.1	165.8	56.6	0	0	0	0	108.4	K1037	K1037-S1039 VanDerWaalsContact C-N 3.3Å; K1037-S1039 PolarHBondContact O-N 3.17Å
1040	A	42.6	Very low	45.8	Very low	97 Å²	97	142.6 Å²	142.6	80%	0.802	80%	0.804	S	S	*	*			trans	-44.2	135.7	-178.6	0	0	0	0	0	114.4
1041	F	35.5	Very low	44.2	Very low	199 Å²	199	148.2 Å²	148.2	87%	0.873	82%	0.819	S	S	*	*			trans	-103.9	107.7	161.2	-112.3	-87.7	0	0	0	107.3
1042	S	32.9	Very low	42.8	Very low	182 Å²	182	150.7 Å²	150.7	100%	1.273	83%	0.826	S	S	*	*			trans	54.7	0	175	55.5	0	0	0	0	117

Retrieved 1,042 of 1,042 residues in 266.2 ms (Link to these results)

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