G4VHA2_SCHMA Loading...

ATP-dependent RNA helicase

RNA helicase.

AlphaFold DB (A0A5K4F2G7), UniProt , Accession G4VHA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 816 aa.

						>G4VHA2_SCHMA|G4VHA2
MNCDTATKDRVIGGFTVINEKTKSKAHNVQEVLPFWITKPELFSSDLKQSLSVNEVAKIGEFLRLRLSEIGITHFFPVQSAVIPYMLDCYFTSKHRPLCRPRDICICAPTGSGKTLAYAVPIIQLFLNRVHRFIRALIIVPVRDLAVQVYKTFSQLVNGTDIQVGVLAGIKSFSKEQEDIINLTNESYSVKVDIVIATPGRLVDHLYNTPGFSMERLRILVIDEADRVIVEEKQNWYHTLEDVLYYYTSSTNQNSWSNVSVRKRSRPIPTVGYHYDRSVDITLQKILVSATLTHDPEPLKQFNLYFPILFTSNRIRHDENHIDAVPHDHKNAENNSSEIKKQEKCDENREIPNVISHVKSSENHTTAGVGQFMVPESLEEFLVTAKPDIRVLFLVYLVRQKHKKRILCFANTVDCAKRLNMLLASFKGIKSKFLSSHLHPDKRQRILNLFSVGQCQILVCTDSMARGIDINDVECVVSYDVPPSIKIYIHRIGRTARAGKKGTAYNLLSTNQFYHFKKDLKLAGRKKIKQLQFHQSKWSHFNAEYQVALRNYEMSIKAMMIQLLILCTVSILSFTYADITVTTTPITMTLNNSVNTVQPYFNCNMTQHGFHLRLHCDFHDFSISLLEHCQLHLHLPSGFFIDPYELTSNQPNLKFSIIQPGIQQKLHSTIKQFVNWFTYSKLRKKITDHFDESKQLIIQNNLVDIEAPEWLAQPLTFKFNIDQLGINKSTSYLDLPIHLRYHLPSTKTDNTNGDSIYITEIKHPILNCPKDYNFKNINSQQSFSVIVPIPLLSYLVFVMPITILLLIIGVICLLMA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	39.3	Very low	242 Å²	242	143.2 Å²	143.2	100%	1.192	78%	0.775	S	S	*	*				0	123.4	0	-89.5	170.6	161.6	0	0	107.9
2	N	29.4	Very low	39.9	Very low	152 Å²	152	141.5 Å²	141.5	81%	0.813	76%	0.763	S	S	*	*			trans	76	113.5	168	-66.5	3	0	0	0	121.3
3	C	32.7	Very low	40.8	Very low	114 Å²	114	136.4 Å²	136.4	77%	0.77	76%	0.764	S	S	*	*			trans	83.2	139	142	-61.5	0	0	0	0	118.8
4	D	33.3	Very low	42.4	Very low	136 Å²	136	131.4 Å²	131.4	73%	0.727	76%	0.759	S	S	*	*			cis	-173.3	136.7	-46.4	-107.9	-37.7	0	0	0	105.3
5	T	32.7	Very low	42	Very low	130 Å²	130	133.6 Å²	133.6	80%	0.798	76%	0.756	S	S	*	*			trans	55.5	84.5	156.1	60.5	0	0	0	0	119.5
6	A	38.8	Very low	43.3	Very low	99 Å²	99	131.1 Å²	131.1	82%	0.818	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-96.7	117.1	154.9	0	0	0	0	0	109.6	K8	A6-K8 PolarHBondContact O-N 2.87Å
7	T	42.2	Very low	43.6	Very low	137 Å²	137	127.8 Å²	127.8	84%	0.84	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-56.2	121.7	178.1	42.9	0	0	0	0	111.9
8	K	44.4	Very low	44.1	Very low	200 Å²	200	127.6 Å²	127.6	87%	0.87	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-72.6	123.8	174.9	-79.2	176.1	173.1	174.7	0	110.9	A6 R10	A6-K8 PolarHBondContact O-N 2.87Å; K8-R10 PolarHBondContact O-N 2.91Å
9	D	50.5	Low	44	Very low	77 Å²	77	126.6 Å²	126.6	41%	0.412	72%	0.715	S	S	.	*	P	Polyproline II helix	trans	-58.5	127.9	170	-70.2	-34.1	0	0	0	110.3
10	R	45.2	Very low	43.8	Very low	201 Å²	201	130.1 Å²	130.1	76%	0.758	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-82.4	129.7	176.7	-84.8	-177.6	173.4	172.5	-1.9	110.1	K8 V17	K8-R10 PolarHBondContact O-N 2.91Å; R10-V17 PolarHBondContact O-N 3.48Å
11	V	50.9	Low	43.7	Very low	87 Å²	87	131.8 Å²	131.8	53%	0.527	73%	0.725	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.6	124.9	170.8	-174.8	0	0	0	0	108.3	F15 T16	V11-F15 WeakPolarHBondContact CA-O 3.44Å; V11-T16 HydrophobicContact CG2-CG2 3.67Å
12	I	46.5	Very low	44.1	Very low	123 Å²	123	126.4 Å²	126.4	63%	0.631	71%	0.706	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.6	123.3	173.1	-59.4	176	0	0	0	107.6	G14 F15	I12-G14 VanDerWaalsContact C-N 3.31Å; I12-G14 PolarHBondContact O-N 3Å; I12-F15 PolarHBondContact N-O 3.27Å; I12-F15 VanDerWaalsContact N-O 3.1Å; I12-F15 PolarHBondContact O-N 2.68Å
13	G	51.5	Low	44.6	Very low	75 Å²	75	129.3 Å²	129.3	77%	0.773	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.2	21	175.1	0	0	0	0	0	116.1
14	G	63.8	Low	45	Very low	67 Å²	67	129 Å²	129	69%	0.691	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.8	-0.4	-175.2	0	0	0	0	0	114.6	I12	I12-G14 VanDerWaalsContact C-N 3.31Å; I12-G14 PolarHBondContact O-N 3Å
15	F	36.7	Very low	45.5	Very low	164 Å²	164	132.1 Å²	132.1	72%	0.719	72%	0.718	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107	125.8	173.9	-60.6	-83.9	0	0	0	110.6	V11 I12 V17	V11-F15 WeakPolarHBondContact CA-O 3.44Å; I12-F15 PolarHBondContact N-O 3.27Å; I12-F15 VanDerWaalsContact N-O 3.1Å; I12-F15 PolarHBondContact O-N 2.68Å; F15-V17 PolarHBondContact O-N 3.39Å
16	T	61.3	Low	46.1	Very low	93 Å²	93	129.9 Å²	129.9	57%	0.571	71%	0.712	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.8	113.8	170.5	6	0	0	0	0	109	V11 I18	V11-T16 HydrophobicContact CG2-CG2 3.67Å; T16-I18 PolarHBondContact O-N 2.91Å
17	V	49.5	Very low	46.4	Very low	75 Å²	75	133.8 Å²	133.8	46%	0.455	71%	0.713	S	S	.	*			trans	-82.2	105.8	173.5	-177	0	0	0	0	107.8	R10 F15 N19	R10-V17 PolarHBondContact O-N 3.48Å; F15-V17 PolarHBondContact O-N 3.39Å; V17-N19 PolarHBondContact O-N 3.36Å
18	I	52.7	Low	46.6	Very low	124 Å²	124	134.7 Å²	134.7	64%	0.636	71%	0.713	S	S	*	*			trans	-71.9	99.2	176	-56.8	173	0	0	0	107.5	T16 E20	T16-I18 PolarHBondContact O-N 2.91Å; I18-E20 PolarHBondContact O-N 3.12Å
19	N	40.8	Very low	46.6	Very low	110 Å²	110	131.4 Å²	131.4	59%	0.588	71%	0.709	S	S	*	*			trans	-66.3	131.4	171	-84.5	-12.7	0	0	0	109.6	V17 K21	V17-N19 PolarHBondContact O-N 3.36Å; N19-K21 PolarHBondContact O-N 3.19Å
20	E	40.8	Very low	46.6	Very low	195 Å²	195	136.1 Å²	136.1	91%	0.911	73%	0.729	S	S	*	*			trans	-1.7	73.7	168.8	-61.9	-176	154.5	0	0	116.4	I18 T22	I18-E20 PolarHBondContact O-N 3.12Å; E20-T22 PolarHBondContact O-N 3.15Å; E20-T22 VanDerWaalsContact O-N 3.09Å
21	K	41.8	Very low	47.1	Very low	166 Å²	166	134.4 Å²	134.4	72%	0.722	73%	0.729	S	S	*	*			trans	-69.7	109.6	161.3	-76.7	-175.5	179.5	175.2	0	107.1	N19 K23	N19-K21 PolarHBondContact O-N 3.19Å; K21-K23 PolarHBondContact O-N 3.49Å
22	T	39.9	Very low	47.6	Very low	130 Å²	130	136.9 Å²	136.9	80%	0.798	75%	0.745	S	S	*	*			trans	-24.9	125.2	166.1	41.1	0	0	0	0	111.8	E20 S24	E20-T22 PolarHBondContact O-N 3.15Å; E20-T22 VanDerWaalsContact O-N 3.09Å; T22-S24 VanDerWaalsContact C-N 3.29Å; T22-S24 PolarHBondContact O-N 3.15Å
23	K	40.9	Very low	48.7	Very low	213 Å²	213	132.7 Å²	132.7	93%	0.926	72%	0.723	S	S	*	*			trans	-51.3	90.4	174.4	-77.5	175.2	176.4	169.3	0	109.9	K21 K25	K21-K23 PolarHBondContact O-N 3.49Å; K23-K25 PolarHBondContact O-N 3.48Å
24	S	41.8	Very low	49.7	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	70%	0.7	S	S	*	*			trans	-62.2	131	162.4	55	0	0	0	0	106.2	T22 A26	T22-S24 VanDerWaalsContact C-N 3.29Å; T22-S24 PolarHBondContact O-N 3.15Å; S24-A26 PolarHBondContact O-N 2.91Å
25	K	42.1	Very low	50.4	Low	200 Å²	200	134.7 Å²	134.7	87%	0.87	70%	0.696	S	S	*	*			trans	-54.2	112.3	171.7	-80.5	177.5	176.1	174.5	0	106.5	K23 H27	K23-K25 PolarHBondContact O-N 3.48Å; K25-H27 PolarHBondContact O-N 3.26Å
26	A	46.6	Very low	52.3	Low	83 Å²	83	128.8 Å²	128.8	69%	0.686	67%	0.669	S	S	*	*			trans	-49.5	118.1	172.6	0	0	0	0	0	107.3	S24 N28	S24-A26 PolarHBondContact O-N 2.91Å; A26-N28 PolarHBondContact O-N 2.83Å
27	H	44.9	Very low	53.2	Low	182 Å²	182	125 Å²	125	84%	0.843	65%	0.645	S	S	*	*			trans	-55.6	118.3	168.6	-106.2	19	0	0	0	106.4	K25 V29	K25-H27 PolarHBondContact O-N 3.26Å; H27-V29 PolarHBondContact O-N 3.27Å
28	N	45.6	Very low	54.4	Low	156 Å²	156	124.6 Å²	124.6	83%	0.834	64%	0.643	S	S	*	*			trans	-60.9	103.4	173.9	-83.7	-16.7	0	0	0	106.9	A26 Q30	A26-N28 PolarHBondContact O-N 2.83Å; N28-Q30 PolarHBondContact O-N 3.34Å; N28-Q30 VanDerWaalsContact O-N 3.07Å
29	V	44.3	Very low	55.8	Low	131 Å²	131	125.3 Å²	125.3	79%	0.794	64%	0.642	S	S	*	*			trans	-57	115.1	165.9	178.3	0	0	0	0	105.8	H27 E31	H27-V29 PolarHBondContact O-N 3.27Å; V29-E31 PolarHBondContact O-N 2.99Å; V29-E31 VanDerWaalsContact O-N 3.13Å
30	Q	51.3	Low	57.8	Low	176 Å²	176	121.9 Å²	121.9	82%	0.822	63%	0.625	S	S	*	*			trans	-68.4	111.1	171.5	-85.5	-176.6	-17.2	0	0	107.4	N28 V32	N28-Q30 PolarHBondContact O-N 3.34Å; N28-Q30 VanDerWaalsContact O-N 3.07Å; Q30-V32 PolarHBondContact O-N 3.41Å; Q30-V32 VanDerWaalsContact O-N 3.08Å
31	E	54.6	Low	59.9	Low	164 Å²	164	117.6 Å²	117.6	77%	0.766	61%	0.605	S	S	*	*			trans	-60.9	110.8	170.5	-70	178.1	178.5	0	0	108.9	V29 L33	V29-E31 PolarHBondContact O-N 2.99Å; V29-E31 VanDerWaalsContact O-N 3.13Å; E31-L33 PolarHBondContact O-N 3.45Å
32	V	62.6	Low	61.9	Low	140 Å²	140	114.2 Å²	114.2	85%	0.848	60%	0.595	S	S	*	*			trans	-81	97.6	174.2	-178	0	0	0	0	108	Q30	Q30-V32 PolarHBondContact O-N 3.41Å; Q30-V32 VanDerWaalsContact O-N 3.08Å
33	L	68.4	Low	64	Low	35 Å²	35	109 Å²	109	18%	0.183	56%	0.561	C	S	.	*			trans	-82	145.8	177.9	-67.2	172.8	0	0	0	111.6	E31 I37 T38 H294 V369	E31-L33 PolarHBondContact O-N 3.45Å; L33-I37 HydrophobicContact CD1-CG2 4.43Å; L33-T38 HydrophobicContact CB-CG2 3.74Å; L33-H294 WeakPolarHBondContact CD2-O 3.32Å; L33-V369 HydrophobicContact CD1-CB 4.4Å; L33-V369 HydrophobicContact CD1-CG1 3.56Å
34	P	73.9	Confident	65.8	Low	43 Å²	43	100.2 Å²	100.2	28%	0.279	53%	0.526	S	S	.	.			trans	-52.9	141.4	172.9	-26.6	33.5	0	0	0	112.8	W36 I37 T38 P296	P34-W36 PolarHBondContact O-N 3.19Å; P34-W36 VanDerWaalsContact O-N 3.1Å; P34-I37 HydrophobicContact CB-CG1 4.46Å; P34-I37 HydrophobicContact CG-CD1 4.28Å; P34-I37 WeakPolarHBondContact O-CB 3.33Å; P34-I37 PolarHBondContact O-N 3.31Å; P34-T38 PolarHBondContact O-N 3.41Å; P34-P296 HydrophobicContact CG-CB 3.85Å; P34-P296 HydrophobicContact CG-CG 4.31Å
35	F	78.1	Confident	67.2	Low	140 Å²	140	97.6 Å²	97.6	61%	0.614	51%	0.508	S	S	*	.	H	α-helix	trans	-53	-37.2	-175.1	-178.2	-94.5	0	0	0	114.4	I37 T38 K39	F35-I37 VanDerWaalsContact C-N 3.26Å; F35-I37 PolarHBondContact O-N 3.45Å; F35-T38 WeakPolarHBondContact CA-OG1 3.44Å; F35-T38 PolarHBondContact O-N 3.44Å; F35-T38 PolarHBondContact O-OG1 3.27Å; F35-K39 HydrophobicContact CD2-CD 4.48Å; F35-K39 HydrophobicContact CE1-CB 4.47Å; F35-K39 HydrophobicContact CE1-CD 4.02Å; F35-K39 HydrophobicContact CE2-CD 3.66Å; F35-K39 HydrophobicContact CE2-CG 4.26Å; F35-K39 HydrophobicContact CZ-CD 3.4Å; F35-K39 HydrophobicContact CZ-CG 4.21Å; F35-K39 PolarHBondContact O-N 3.36Å
36	W	77	Confident	68.6	Low	41 Å²	41	90.8 Å²	90.8	16%	0.155	48%	0.481	C	S	.	.	H	α-helix	trans	-70.7	-21.4	-179.6	68.4	-92.4	0	0	0	113.3	P34 C105 L299 P307 L309	P34-W36 PolarHBondContact O-N 3.19Å; P34-W36 VanDerWaalsContact O-N 3.1Å; W36-C105 HydrophobicContact CZ3-CB 3.98Å; W36-L299 HydrophobicContact CH2-CD1 3.92Å; W36-L299 HydrophobicContact CZ2-CD1 4.27Å; W36-P307 VanDerWaalsContact CB-O 3.31Å; W36-P307 WeakPolarHBondContact CB-O 3.49Å; W36-P307 HydrophobicContact CD2-CB 4.12Å; W36-P307 HydrophobicContact CD2-CG 3.66Å; W36-P307 HydrophobicContact CE3-CB 4.26Å; W36-P307 HydrophobicContact CE3-CG 4.3Å; W36-P307 HydrophobicContact CG-CB 4.46Å; W36-P307 HydrophobicContact CG-CG 3.74Å; W36-P307 HydrophobicContact CZ2-CG 4.24Å; W36-L309 HydrophobicContact CE3-CB 3.81Å; W36-L309 HydrophobicContact CZ3-CB 3.91Å; W36-L309 HydrophobicContact CZ3-CD2 4.46Å
37	I	79.7	Confident	70	Confident	12 Å²	12	90 Å²	90	6%	0.062	47%	0.465	C	S	.	.	H	α-helix	trans	-82.5	-36.2	171.6	-60	-175.9	0	0	0	110	L33 P34 F35 P296	L33-I37 HydrophobicContact CD1-CG2 4.43Å; P34-I37 HydrophobicContact CB-CG1 4.46Å; P34-I37 HydrophobicContact CG-CD1 4.28Å; P34-I37 WeakPolarHBondContact O-CB 3.33Å; P34-I37 PolarHBondContact O-N 3.31Å; F35-I37 VanDerWaalsContact C-N 3.26Å; F35-I37 PolarHBondContact O-N 3.45Å; I37-P296 HydrophobicContact CD1-CB 4.45Å
38	T	75.5	Confident	71.1	Confident	68 Å²	68	90 Å²	90	42%	0.417	46%	0.462	S	S	.	.	H	α-helix	trans	-76.5	-25.5	-179.4	61	0	0	0	0	113.1	L33 P34 F35 P40	L33-T38 HydrophobicContact CB-CG2 3.74Å; P34-T38 PolarHBondContact O-N 3.41Å; F35-T38 WeakPolarHBondContact CA-OG1 3.44Å; F35-T38 PolarHBondContact O-N 3.44Å; F35-T38 PolarHBondContact O-OG1 3.27Å; T38-P40 VanDerWaalsContact C-CD 3.47Å; T38-P40 WeakPolarHBondContact O-CD 3.35Å
39	K	81.3	Confident	72.2	Confident	139 Å²	139	88.7 Å²	88.7	60%	0.604	45%	0.451	S	S	*	.	S	Bend	trans	-121.7	73.9	174.3	-60.4	-163.2	-169.8	177.4	0	111.9	F35	F35-K39 HydrophobicContact CD2-CD 4.48Å; F35-K39 HydrophobicContact CE1-CB 4.47Å; F35-K39 HydrophobicContact CE1-CD 4.02Å; F35-K39 HydrophobicContact CE2-CD 3.66Å; F35-K39 HydrophobicContact CE2-CG 4.26Å; F35-K39 HydrophobicContact CZ-CD 3.4Å; F35-K39 HydrophobicContact CZ-CG 4.21Å; F35-K39 PolarHBondContact O-N 3.36Å
40	P	83.3	Confident	73.6	Confident	37 Å²	37	84.2 Å²	84.2	24%	0.24	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-76.5	154.3	174.5	33.9	-35.3	0	0	0	111.7	T38 L42 L309 T311	T38-P40 VanDerWaalsContact C-CD 3.47Å; T38-P40 WeakPolarHBondContact O-CD 3.35Å; P40-L42 HydrophobicContact CG-CD2 4.13Å; P40-L42 PolarHBondContact O-N 2.73Å; P40-L309 CarbonylContact C-O 3.48Å; P40-L309 VanDerWaalsContact CA-O 3.27Å; P40-L309 WeakPolarHBondContact CA-O 3.23Å; P40-L309 HydrophobicContact CB-CB 3.99Å; P40-L309 HydrophobicContact CB-CD2 3.99Å; P40-L309 HydrophobicContact CB-CG 3.87Å; P40-L309 WeakPolarHBondContact CB-O 3.49Å; P40-T311 HydrophobicContact CB-CG2 3.63Å; P40-T311 HydrophobicContact CG-CG2 3.7Å
41	E	85	Confident	74.9	Confident	105 Å²	105	79 Å²	79	49%	0.491	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	119	163.6	-73	-60.9	159.8	0	0	109.4	I308 L309 F310 T311	E41-I308 HydrophobicContact CG-CD1 3.62Å; E41-I308 HydrophobicContact CG-CG1 3.95Å; E41-L309 PolarHBondContact N-O 2.92Å; E41-F310 HydrophobicContact CB-CD1 3.73Å; E41-F310 HydrophobicContact CB-CE1 3.84Å; E41-F310 HydrophobicContact CB-CG 4.34Å; E41-F310 HydrophobicContact CG-CE1 4.16Å; E41-F310 HydrophobicContact CG-CZ 4.49Å; E41-F310 WeakPolarHBondContact O-CA 3.37Å; E41-T311 PolarHBondContact O-N 3.28Å
42	L	83.9	Confident	76.3	Confident	95 Å²	95	72.6 Å²	72.6	50%	0.497	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.4	-176.6	-65.5	174.4	0	0	0	110.5	P40 T311 N313	P40-L42 HydrophobicContact CG-CD2 4.13Å; P40-L42 PolarHBondContact O-N 2.73Å; L42-T311 VanDerWaalsContact CA-O 3.3Å; L42-T311 WeakPolarHBondContact CA-O 3.22Å; L42-T311 HydrophobicContact CD2-CG2 3.47Å; L42-T311 VanDerWaalsContact CD2-CG2 3.47Å; L42-N313 HydrophobicContact CB-CB 4.32Å
43	F	83.3	Confident	77.2	Confident	21 Å²	21	66.2 Å²	66.2	9%	0.092	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	157.9	168.4	59.5	-93.2	0	0	0	110.8	P77 V78 A81 A108 F310 T311 S312 N313	F43-P77 HydrophobicContact CD2-CB 3.86Å; F43-P77 HydrophobicContact CE2-CB 4.45Å; F43-V78 HydrophobicContact CE1-CB 4.4Å; F43-V78 HydrophobicContact CE1-CG2 4.21Å; F43-V78 HydrophobicContact CE2-CB 3.83Å; F43-V78 HydrophobicContact CE2-CG2 4.46Å; F43-V78 HydrophobicContact CZ-CB 3.76Å; F43-V78 HydrophobicContact CZ-CG2 3.88Å; F43-A81 HydrophobicContact CB-CB 3.97Å; F43-A81 HydrophobicContact CD1-CB 4.31Å; F43-A81 HydrophobicContact CG-CB 4.31Å; F43-A108 HydrophobicContact CZ-CB 3.98Å; F43-F310 HydrophobicContact CD1-CB 4.34Å; F43-F310 HydrophobicContact CE1-CB 4.08Å; F43-T311 WeakPolarHBondContact CD1-O 3.27Å; F43-T311 PolarHBondContact N-O 2.94Å; F43-S312 VanDerWaalsContact CE2-CB 3.48Å; F43-S312 CarbonylContact O-C 3.55Å; F43-S312 WeakPolarHBondContact O-CA 3.25Å; F43-N313 PolarHBondContact O-N 3.02Å
44	S	78.6	Confident	77.8	Confident	28 Å²	28	69.7 Å²	69.7	20%	0.196	36%	0.357	C	S	.	.			trans	-68.9	144.5	-179.1	-174.5	0	0	0	0	112.3	D46 Q49 P77	S44-D46 VanDerWaalsContact C-N 3.28Å; S44-D46 PolarHBondContact OG-N 3.28Å; S44-D46 VanDerWaalsContact OG-N 3.12Å; S44-Q49 PolarHBondContact OG-OE1 3.2Å; S44-Q49 VanDerWaalsContact OG-OE1 3.12Å; S44-P77 WeakPolarHBondContact O-CB 3.37Å; S44-P77 WeakPolarHBondContact O-CG 3.28Å
45	S	71.3	Confident	78.1	Confident	54 Å²	54	73.7 Å²	73.7	38%	0.378	37%	0.372	S	S	.	.	S	Bend	trans	-78.2	-15.7	167.9	51.5	0	0	0	0	112.8	E376	S45-E376 PolarHBondContact OG-OE1 3.28Å
46	D	72.2	Confident	78.3	Confident	57 Å²	57	67.5 Å²	67.5	31%	0.305	35%	0.346	S	S	.	.			trans	-76.2	125.5	-175	-168.3	-1.3	0	0	0	111.2	S44 K48 Q49 P77	S44-D46 VanDerWaalsContact C-N 3.28Å; S44-D46 PolarHBondContact OG-N 3.28Å; S44-D46 VanDerWaalsContact OG-N 3.12Å; D46-K48 PolarHBondContact O-N 3.29Å; D46-K48 WeakPolarHBondContact OD1-CG 3.45Å; D46-K48 PolarHBondContact OD1-N 2.92Å; D46-Q49 PolarHBondContact O-N 3.48Å; D46-P77 WeakPolarHBondContact O-CG 3.19Å
47	L	75.1	Confident	78.2	Confident	67 Å²	67	69.8 Å²	69.8	35%	0.351	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-68.7	-17	176.8	-64.8	176.8	0	0	0	112.7	Q49 S50 F76 G499	L47-Q49 PolarHBondContact O-N 2.92Å; L47-S50 WeakPolarHBondContact O-CB 3.17Å; L47-S50 PolarHBondContact O-N 3.45Å; L47-S50 PolarHBondContact O-OG 3.19Å; L47-F76 HydrophobicContact CD2-CD1 3.48Å; L47-F76 VanDerWaalsContact CD2-CD1 3.48Å; L47-F76 HydrophobicContact CD2-CE1 3.76Å; L47-G499 VanDerWaalsContact CD1-N 3.32Å
48	K	68.9	Low	78.3	Confident	180 Å²	180	72.9 Å²	72.9	78%	0.783	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-68.9	-24.1	176.2	-64.1	176.4	-177.4	175.3	0	113	D46 S50	D46-K48 PolarHBondContact O-N 3.29Å; D46-K48 WeakPolarHBondContact OD1-CG 3.45Å; D46-K48 PolarHBondContact OD1-N 2.92Å; K48-S50 PolarHBondContact O-N 3.49Å
49	Q	67.4	Low	78.8	Confident	129 Å²	129	69.9 Å²	69.9	60%	0.603	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-90	38	177.1	-64.5	-176.5	-4.7	0	0	111.7	S44 D46 L47	S44-Q49 PolarHBondContact OG-OE1 3.2Å; S44-Q49 VanDerWaalsContact OG-OE1 3.12Å; D46-Q49 PolarHBondContact O-N 3.48Å; L47-Q49 PolarHBondContact O-N 2.92Å
50	S	73.4	Confident	79	Confident	38 Å²	38	64.5 Å²	64.5	27%	0.266	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-81.7	127.9	176.5	58	0	0	0	0	110.8	L47 K48 F75	L47-S50 WeakPolarHBondContact O-CB 3.17Å; L47-S50 PolarHBondContact O-N 3.45Å; L47-S50 PolarHBondContact O-OG 3.19Å; K48-S50 PolarHBondContact O-N 3.49Å; S50-F75 WeakPolarHBondContact CA-O 3.24Å; S50-F75 WeakPolarHBondContact CB-O 3.41Å
51	L	79.8	Confident	79.3	Confident	66 Å²	66	70 Å²	70	35%	0.346	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-73.1	139.6	169.4	-68.7	172.9	0	0	0	109.6	E55 F75 S80	L51-E55 WeakPolarHBondContact CA-OE2 3.3Å; L51-E55 WeakPolarHBondContact CD2-OE2 3.22Å; L51-F75 PolarHBondContact O-N 3.26Å; L51-S80 PolarHBondContact N-OG 3.03Å
52	S	82.7	Confident	79.5	Confident	29 Å²	29	68.1 Å²	68.1	20%	0.203	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-69.3	146.4	169.3	174.7	0	0	0	0	109.8	N54 E55	S52-N54 PolarHBondContact O-N 3.46Å; S52-N54 VanDerWaalsContact O-N 3.09Å; S52-N54 PolarHBondContact OG-N 3.08Å; S52-E55 PolarHBondContact N-OE2 2.97Å; S52-E55 WeakPolarHBondContact O-CB 3.29Å; S52-E55 PolarHBondContact O-N 2.91Å
53	V	82	Confident	79.8	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.042	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-56.4	-29.8	177.8	176	0	0	0	0	111.8	R64 L67 I72 T73 F75	V53-R64 HydrophobicContact CG1-CB 4.44Å; V53-R64 HydrophobicContact CG1-CG 4.1Å; V53-L67 HydrophobicContact CG1-CB 4.47Å; V53-L67 HydrophobicContact CG1-CD1 3.81Å; V53-I72 HydrophobicContact CG2-CG2 4.39Å; V53-T73 WeakPolarHBondContact CG2-O 3.47Å; V53-T73 PolarHBondContact N-O 3.23Å; V53-F75 HydrophobicContact CB-CE2 4.13Å; V53-F75 HydrophobicContact CB-CZ 4.31Å; V53-F75 HydrophobicContact CG1-CE2 4.19Å; V53-F75 HydrophobicContact CG1-CZ 4.07Å; V53-F75 HydrophobicContact CG2-CD1 4.37Å; V53-F75 HydrophobicContact CG2-CD2 4.18Å; V53-F75 HydrophobicContact CG2-CE1 4.05Å; V53-F75 HydrophobicContact CG2-CE2 3.86Å; V53-F75 HydrophobicContact CG2-CG 4.44Å; V53-F75 HydrophobicContact CG2-CZ 3.79Å
54	N	80.7	Confident	80.2	Confident	108 Å²	108	65.8 Å²	65.8	58%	0.578	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-74.8	-24.9	-179.1	-67.5	-23.7	0	0	0	113.7	S52 V56 R64	S52-N54 PolarHBondContact O-N 3.46Å; S52-N54 VanDerWaalsContact O-N 3.09Å; S52-N54 PolarHBondContact OG-N 3.08Å; N54-V56 VanDerWaalsContact C-N 3.26Å; N54-V56 PolarHBondContact O-N 2.89Å; N54-R64 PolarHBondContact O-NH2 2.82Å
55	E	81.2	Confident	80.8	Confident	127 Å²	127	68.9 Å²	68.9	59%	0.593	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-73	-22.2	-178.6	-68.2	169.3	165.2	0	0	111.9	L51 S52 A57	L51-E55 WeakPolarHBondContact CA-OE2 3.3Å; L51-E55 WeakPolarHBondContact CD2-OE2 3.22Å; S52-E55 PolarHBondContact N-OE2 2.97Å; S52-E55 WeakPolarHBondContact O-CB 3.29Å; S52-E55 PolarHBondContact O-N 2.91Å; E55-A57 PolarHBondContact O-N 3.05Å
56	V	81.7	Confident	81.7	Confident	10 Å²	10	67.9 Å²	67.9	6%	0.061	35%	0.35	C	S	.	.			trans	-79.6	91.6	176.2	-169.9	0	0	0	0	109.3	N54 K58 I59 R64 F75 P84	N54-V56 VanDerWaalsContact C-N 3.26Å; N54-V56 PolarHBondContact O-N 2.89Å; V56-K58 PolarHBondContact O-N 3.1Å; V56-K58 VanDerWaalsContact O-N 3.08Å; V56-I59 HydrophobicContact CB-CD1 3.77Å; V56-I59 HydrophobicContact CB-CG1 4.09Å; V56-I59 HydrophobicContact CG1-CD1 3.75Å; V56-I59 HydrophobicContact CG1-CG1 3.72Å; V56-I59 HydrophobicContact CG2-CD1 4.36Å; V56-I59 PolarHBondContact O-N 3.36Å; V56-R64 PolarHBondContact O-NH2 3.29Å; V56-F75 HydrophobicContact CG2-CD2 4.1Å; V56-F75 HydrophobicContact CG2-CE2 3.93Å; V56-P84 HydrophobicContact CG1-CG 4.16Å; V56-P84 HydrophobicContact CG2-CG 4.4Å
57	A	75.8	Confident	82.7	Confident	89 Å²	89	65.1 Å²	65.1	74%	0.736	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.1	-174.5	0	0	0	0	0	114.6	E55	E55-A57 PolarHBondContact O-N 3.05Å
58	K	81.2	Confident	83.4	Confident	77 Å²	77	65 Å²	65	34%	0.335	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.5	-173.9	-62.1	-174.3	-178.9	-177.5	0	114.8	V56 L87 D88 F91	V56-K58 PolarHBondContact O-N 3.1Å; V56-K58 VanDerWaalsContact O-N 3.08Å; K58-L87 HydrophobicContact CB-CB 4.32Å; K58-L87 HydrophobicContact CB-CD1 4.01Å; K58-L87 HydrophobicContact CD-CB 4.46Å; K58-D88 WeakPolarHBondContact CD-OD1 3.5Å; K58-D88 WeakPolarHBondContact CE-OD1 3.43Å; K58-D88 IonicContact NZ-OD1 3.18Å; K58-D88 PolarHBondContact NZ-OD1 3.02Å; K58-F91 HydrophobicContact CB-CD2 4.17Å; K58-F91 HydrophobicContact CB-CE2 4.11Å; K58-F91 HydrophobicContact CD-CD2 3.92Å; K58-F91 HydrophobicContact CG-CD2 4.44Å
59	I	86.5	Confident	84.4	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.026	33%	0.332	C	S	.	.	S	Bend	trans	-88	125	173.6	-60.5	176.9	0	0	0	108.6	V56 L63 R64 F75 I83 L87 V120	V56-I59 HydrophobicContact CB-CD1 3.77Å; V56-I59 HydrophobicContact CB-CG1 4.09Å; V56-I59 HydrophobicContact CG1-CD1 3.75Å; V56-I59 HydrophobicContact CG1-CG1 3.72Å; V56-I59 HydrophobicContact CG2-CD1 4.36Å; V56-I59 PolarHBondContact O-N 3.36Å; I59-L63 HydrophobicContact CG2-CB 3.71Å; I59-L63 HydrophobicContact CG2-CD1 4.49Å; I59-R64 HydrophobicContact CG2-CG 3.94Å; I59-R64 PolarHBondContact O-NE 3.38Å; I59-F75 HydrophobicContact CD1-CE2 3.73Å; I59-F75 HydrophobicContact CD1-CZ 3.75Å; I59-I83 HydrophobicContact CD1-CG2 4.08Å; I59-L87 HydrophobicContact CG1-CD1 4.01Å; I59-V120 HydrophobicContact CD1-CG1 4.12Å
60	G	86	Confident	85.5	Confident	26 Å²	26	59.2 Å²	59.2	27%	0.268	32%	0.317	S	S	.	.			trans	-68.4	156	178.8	0	0	0	0	0	112.9	F62 L63 R64	G60-F62 VanDerWaalsContact C-N 3.27Å; G60-F62 PolarHBondContact O-N 2.82Å; G60-L63 PolarHBondContact O-N 3.46Å; G60-L63 VanDerWaalsContact O-N 3.13Å; G60-R64 PolarHBondContact O-N 2.91Å
61	E	88.2	Confident	86.2	Confident	152 Å²	152	60.1 Å²	60.1	71%	0.71	33%	0.333	S	S	*	.	H	α-helix	trans	-54.8	-41.6	-176.2	-174.5	173.3	-170.5	0	0	112.9	L63 R64 L65	E61-L63 PolarHBondContact O-N 3.17Å; E61-R64 WeakPolarHBondContact O-CB 3.31Å; E61-R64 PolarHBondContact O-N 3.19Å; E61-R64 VanDerWaalsContact O-N 3.13Å; E61-L65 HydrophobicContact CG-CD1 4.29Å; E61-L65 WeakPolarHBondContact O-CG 3.33Å; E61-L65 PolarHBondContact O-N 3.48Å
62	F	90	Very high	86.6	Confident	65 Å²	65	58.5 Å²	58.5	29%	0.285	32%	0.324	S	S	.	.	H	α-helix	trans	-52.1	-52.3	176.3	174	-95.6	0	0	0	112.4	G60 R64 L65 R66 L127 N158 T160	G60-F62 VanDerWaalsContact C-N 3.27Å; G60-F62 PolarHBondContact O-N 2.82Å; F62-R64 VanDerWaalsContact C-N 3.31Å; F62-R64 PolarHBondContact O-N 3.35Å; F62-L65 PolarHBondContact O-N 3.46Å; F62-R66 HydrophobicContact CD1-CG 4.2Å; F62-R66 HydrophobicContact CD2-CG 4.47Å; F62-R66 HydrophobicContact CE1-CG 3.65Å; F62-R66 HydrophobicContact CE2-CG 3.97Å; F62-R66 HydrophobicContact CZ-CG 3.51Å; F62-R66 WeakPolarHBondContact O-CG 3.48Å; F62-R66 PolarHBondContact O-N 2.86Å; F62-L127 HydrophobicContact CD1-CD1 4.45Å; F62-L127 HydrophobicContact CD1-CD2 4.08Å; F62-L127 HydrophobicContact CE1-CD2 4.4Å; F62-N158 WeakPolarHBondContact CZ-O 3.19Å; F62-T160 HydrophobicContact CD1-CG2 3.97Å; F62-T160 HydrophobicContact CE1-CG2 3.23Å; F62-T160 HydrophobicContact CE2-CG2 4Å; F62-T160 HydrophobicContact CZ-CG2 3.26Å
63	L	90.3	Very high	86.8	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-68.2	-31.8	-178.6	-78.2	-178.4	0	0	0	112.3	I59 G60 E61 R66 L67 V120 I123 Q124 L127	I59-L63 HydrophobicContact CG2-CB 3.71Å; I59-L63 HydrophobicContact CG2-CD1 4.49Å; G60-L63 PolarHBondContact O-N 3.46Å; G60-L63 VanDerWaalsContact O-N 3.13Å; E61-L63 PolarHBondContact O-N 3.17Å; L63-R66 PolarHBondContact O-N 3.33Å; L63-L67 WeakPolarHBondContact O-CB 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 2.82Å; L63-V120 HydrophobicContact CD1-CG1 4.48Å; L63-I123 HydrophobicContact CD1-CG2 4.37Å; L63-I123 HydrophobicContact CD2-CG2 3.88Å; L63-Q124 HydrophobicContact CD1-CB 3.72Å; L63-Q124 HydrophobicContact CD1-CG 4.49Å; L63-L127 HydrophobicContact CD1-CD1 4.34Å; L63-L127 HydrophobicContact CG-CD1 4.25Å
64	R	91.1	Very high	87.1	Confident	68 Å²	68	65.8 Å²	65.8	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-62.9	-44	174.8	-63.8	-174.1	177	166.6	-3.1	111.4	V53 N54 V56 I59 G60 E61 F62 L67 S68	V53-R64 HydrophobicContact CG1-CB 4.44Å; V53-R64 HydrophobicContact CG1-CG 4.1Å; N54-R64 PolarHBondContact O-NH2 2.82Å; V56-R64 PolarHBondContact O-NH2 3.29Å; I59-R64 HydrophobicContact CG2-CG 3.94Å; I59-R64 PolarHBondContact O-NE 3.38Å; G60-R64 PolarHBondContact O-N 2.91Å; E61-R64 WeakPolarHBondContact O-CB 3.31Å; E61-R64 PolarHBondContact O-N 3.19Å; E61-R64 VanDerWaalsContact O-N 3.13Å; F62-R64 VanDerWaalsContact C-N 3.31Å; F62-R64 PolarHBondContact O-N 3.35Å; R64-L67 PolarHBondContact O-N 3.42Å; R64-S68 PolarHBondContact O-N 3.47Å; R64-S68 PolarHBondContact O-OG 2.88Å
65	L	90.8	Very high	87.6	Confident	93 Å²	93	60.7 Å²	60.7	49%	0.487	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-43.8	175.2	-66.3	173.1	0	0	0	111.8	E61 F62 L67 S68 E69	E61-L65 HydrophobicContact CG-CD1 4.29Å; E61-L65 WeakPolarHBondContact O-CG 3.33Å; E61-L65 PolarHBondContact O-N 3.48Å; F62-L65 PolarHBondContact O-N 3.46Å; L65-L67 VanDerWaalsContact C-N 3.35Å; L65-L67 PolarHBondContact O-N 3.23Å; L65-S68 PolarHBondContact O-N 2.99Å; L65-S68 PolarHBondContact O-OG 2.82Å; L65-E69 WeakPolarHBondContact O-CG 3.44Å; L65-E69 PolarHBondContact O-N 2.83Å
66	R	91.3	Very high	88	Confident	32 Å²	32	57.4 Å²	57.4	12%	0.121	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-41	176.6	-63.9	-57.4	-62.8	158.8	16	112.2	F62 L63 E69 I70 Q155 N158	F62-R66 HydrophobicContact CD1-CG 4.2Å; F62-R66 HydrophobicContact CD2-CG 4.47Å; F62-R66 HydrophobicContact CE1-CG 3.65Å; F62-R66 HydrophobicContact CE2-CG 3.97Å; F62-R66 HydrophobicContact CZ-CG 3.51Å; F62-R66 WeakPolarHBondContact O-CG 3.48Å; F62-R66 PolarHBondContact O-N 2.86Å; L63-R66 PolarHBondContact O-N 3.33Å; R66-E69 IonicContact CZ-OE2 3.98Å; R66-E69 VanDerWaalsContact CZ-OE2 3.26Å; R66-E69 IonicContact NE-OE2 3.61Å; R66-E69 IonicContact NH1-OE1 3.98Å; R66-E69 IonicContact NH1-OE2 3.65Å; R66-E69 PolarHBondContact NH1-OE2 3.14Å; R66-E69 IonicContact NH2-OE2 3.79Å; R66-E69 PolarHBondContact O-N 2.99Å; R66-I70 WeakPolarHBondContact O-CD1 3.47Å; R66-I70 VanDerWaalsContact O-CG1 3.22Å; R66-I70 WeakPolarHBondContact O-CG1 3.38Å; R66-I70 PolarHBondContact O-N 3.17Å; R66-I70 VanDerWaalsContact O-N 3.1Å; R66-Q155 PolarHBondContact NE-O 3.42Å; R66-Q155 PolarHBondContact NH2-O 3.09Å; R66-N158 WeakPolarHBondContact CD-O 3.42Å; R66-N158 PolarHBondContact NE-O 3.47Å; R66-N158 VanDerWaalsContact NE-O 3.11Å; R66-N158 PolarHBondContact NH2-ND2 2.89Å
67	L	92.1	Very high	88.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-39.8	177.5	-73.9	168.9	0	0	0	111.5	V53 L63 R64 L65 I70 G71 I72 F75 V120 L156	V53-L67 HydrophobicContact CG1-CB 4.47Å; V53-L67 HydrophobicContact CG1-CD1 3.81Å; L63-L67 WeakPolarHBondContact O-CB 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 2.82Å; R64-L67 PolarHBondContact O-N 3.42Å; L65-L67 VanDerWaalsContact C-N 3.35Å; L65-L67 PolarHBondContact O-N 3.23Å; L67-I70 PolarHBondContact O-N 3.03Å; L67-G71 PolarHBondContact O-N 2.96Å; L67-I72 HydrophobicContact CB-CB 4.45Å; L67-I72 HydrophobicContact CD2-CB 4.38Å; L67-I72 HydrophobicContact CD2-CD1 3.82Å; L67-I72 HydrophobicContact CD2-CG2 4.48Å; L67-I72 PolarHBondContact O-N 3.34Å; L67-F75 HydrophobicContact CD1-CE1 4.02Å; L67-F75 HydrophobicContact CD1-CZ 3.77Å; L67-V120 HydrophobicContact CD1-CG2 4.49Å; L67-V120 HydrophobicContact CD2-CG2 4.26Å; L67-L156 HydrophobicContact CD2-CD2 3.72Å; L67-L156 HydrophobicContact CG-CD2 4.33Å
68	S	90.4	Very high	89	Confident	65 Å²	65	53.4 Å²	53.4	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-39.3	176.4	69.1	0	0	0	0	112.2	R64 L65 I70 G71	R64-S68 PolarHBondContact O-N 3.47Å; R64-S68 PolarHBondContact O-OG 2.88Å; L65-S68 PolarHBondContact O-N 2.99Å; L65-S68 PolarHBondContact O-OG 2.82Å; S68-I70 VanDerWaalsContact C-N 3.32Å; S68-I70 PolarHBondContact O-N 3.37Å; S68-G71 WeakPolarHBondContact O-CA 3.42Å; S68-G71 PolarHBondContact O-N 3.46Å
69	E	91.1	Very high	89.5	Confident	127 Å²	127	49.8 Å²	49.8	59%	0.593	27%	0.268	S	S	*	.	H	α-helix	trans	-61.4	-37	173.2	-75.8	176.7	-161.4	0	0	113.1	L65 R66 G71	L65-E69 WeakPolarHBondContact O-CG 3.44Å; L65-E69 PolarHBondContact O-N 2.83Å; R66-E69 IonicContact CZ-OE2 3.98Å; R66-E69 VanDerWaalsContact CZ-OE2 3.26Å; R66-E69 IonicContact NE-OE2 3.61Å; R66-E69 IonicContact NH1-OE1 3.98Å; R66-E69 IonicContact NH1-OE2 3.65Å; R66-E69 PolarHBondContact NH1-OE2 3.14Å; R66-E69 IonicContact NH2-OE2 3.79Å; R66-E69 PolarHBondContact O-N 2.99Å; E69-G71 PolarHBondContact O-N 2.88Å
70	I	89.2	Confident	89.7	Confident	60 Å²	60	50.2 Å²	50.2	31%	0.308	27%	0.271	S	S	.	.	H	α-helix	trans	-71.2	-15.3	175.1	-64.6	163.5	0	0	0	111	R66 L67 S68 I72 Q155 L156	R66-I70 WeakPolarHBondContact O-CD1 3.47Å; R66-I70 VanDerWaalsContact O-CG1 3.22Å; R66-I70 WeakPolarHBondContact O-CG1 3.38Å; R66-I70 PolarHBondContact O-N 3.17Å; R66-I70 VanDerWaalsContact O-N 3.1Å; L67-I70 PolarHBondContact O-N 3.03Å; S68-I70 VanDerWaalsContact C-N 3.32Å; S68-I70 PolarHBondContact O-N 3.37Å; I70-I72 HydrophobicContact CB-CD1 4.28Å; I70-I72 HydrophobicContact CG2-CD1 3.72Å; I70-I72 HydrophobicContact CG2-CG1 4.12Å; I70-Q155 HydrophobicContact CD1-CB 3.95Å; I70-Q155 HydrophobicContact CG1-CB 4.45Å; I70-L156 HydrophobicContact CD1-CD2 3.79Å; I70-L156 HydrophobicContact CD1-CG 4.41Å
71	G	89	Confident	89.9	Confident	57 Å²	57	50.3 Å²	50.3	59%	0.588	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	18.3	-178.4	0	0	0	0	0	114	L67 S68 E69	L67-G71 PolarHBondContact O-N 2.96Å; S68-G71 WeakPolarHBondContact O-CA 3.42Å; S68-G71 PolarHBondContact O-N 3.46Å; E69-G71 PolarHBondContact O-N 2.88Å
72	I	87.5	Confident	90.2	Very high	32 Å²	32	43.2 Å²	43.2	16%	0.164	24%	0.237	C	C	.	.			trans	-96.4	104.6	178.8	-59.3	160.2	0	0	0	108.8	V53 L67 I70 L116	V53-I72 HydrophobicContact CG2-CG2 4.39Å; L67-I72 HydrophobicContact CB-CB 4.45Å; L67-I72 HydrophobicContact CD2-CB 4.38Å; L67-I72 HydrophobicContact CD2-CD1 3.82Å; L67-I72 HydrophobicContact CD2-CG2 4.48Å; L67-I72 PolarHBondContact O-N 3.34Å; I70-I72 HydrophobicContact CB-CD1 4.28Å; I70-I72 HydrophobicContact CG2-CD1 3.72Å; I70-I72 HydrophobicContact CG2-CG1 4.12Å; I72-L116 HydrophobicContact CD1-CD1 3.5Å
73	T	86	Confident	90.3	Very high	88 Å²	88	40.1 Å²	40.1	54%	0.54	22%	0.223	S	C	.	.			trans	-100	-29	177.7	54.4	0	0	0	0	113	V53	V53-T73 WeakPolarHBondContact CG2-O 3.47Å; V53-T73 PolarHBondContact N-O 3.23Å
74	H	89.9	Confident	90.3	Very high	100 Å²	100	41.7 Å²	41.7	46%	0.463	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-130.1	140.9	-177.9	-63.2	77.3	0	0	0	110.1
75	F	90.5	Very high	90.3	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	23%	0.232	C	C	.	.			trans	-84.3	138.5	175.7	-74.1	-49.9	0	0	0	111.2	S50 L51 V53 V56 I59 L67 Q79 S80 I83	S50-F75 WeakPolarHBondContact CA-O 3.24Å; S50-F75 WeakPolarHBondContact CB-O 3.41Å; L51-F75 PolarHBondContact O-N 3.26Å; V53-F75 HydrophobicContact CB-CE2 4.13Å; V53-F75 HydrophobicContact CB-CZ 4.31Å; V53-F75 HydrophobicContact CG1-CE2 4.19Å; V53-F75 HydrophobicContact CG1-CZ 4.07Å; V53-F75 HydrophobicContact CG2-CD1 4.37Å; V53-F75 HydrophobicContact CG2-CD2 4.18Å; V53-F75 HydrophobicContact CG2-CE1 4.05Å; V53-F75 HydrophobicContact CG2-CE2 3.86Å; V53-F75 HydrophobicContact CG2-CG 4.44Å; V53-F75 HydrophobicContact CG2-CZ 3.79Å; V56-F75 HydrophobicContact CG2-CD2 4.1Å; V56-F75 HydrophobicContact CG2-CE2 3.93Å; I59-F75 HydrophobicContact CD1-CE2 3.73Å; I59-F75 HydrophobicContact CD1-CZ 3.75Å; L67-F75 HydrophobicContact CD1-CE1 4.02Å; L67-F75 HydrophobicContact CD1-CZ 3.77Å; F75-Q79 HydrophobicContact CB-CB 3.86Å; F75-Q79 HydrophobicContact CD1-CB 4.04Å; F75-Q79 HydrophobicContact CG-CB 4.17Å; F75-S80 WeakPolarHBondContact CB-OG 3.24Å; F75-S80 PolarHBondContact O-OG 3.17Å; F75-I83 HydrophobicContact CD1-CD1 4.06Å; F75-I83 HydrophobicContact CE1-CD1 3.83Å; F75-I83 HydrophobicContact CE2-CD1 4.4Å; F75-I83 HydrophobicContact CG-CD1 4.45Å; F75-I83 HydrophobicContact CZ-CD1 4.01Å
76	F	88.9	Confident	90.3	Very high	58 Å²	58	36.8 Å²	36.8	25%	0.254	21%	0.209	S	C	.	.			trans	-60.9	153.5	168.7	-73.4	-65.6	0	0	0	110.5	L47 V78 Q79 S80 S112 A498	L47-F76 HydrophobicContact CD2-CD1 3.48Å; L47-F76 VanDerWaalsContact CD2-CD1 3.48Å; L47-F76 HydrophobicContact CD2-CE1 3.76Å; F76-V78 HydrophobicContact CB-CG1 4.41Å; F76-V78 PolarHBondContact O-N 3.05Å; F76-Q79 HydrophobicContact CB-CG 4.32Å; F76-Q79 WeakPolarHBondContact O-CA 3.18Å; F76-Q79 WeakPolarHBondContact O-CB 3.44Å; F76-Q79 PolarHBondContact O-N 3.22Å; F76-S80 PolarHBondContact O-N 3.09Å; F76-S80 PolarHBondContact O-OG 2.95Å; F76-S112 WeakPolarHBondContact CB-O 3.27Å; F76-A498 HydrophobicContact CE1-CB 4.04Å; F76-A498 HydrophobicContact CZ-CB 3.63Å
77	P	88.7	Confident	90.2	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-52	-38	-176.5	-30.6	36	0	0	0	114.9	F43 S44 D46 Q79 S80 A81	F43-P77 HydrophobicContact CD2-CB 3.86Å; F43-P77 HydrophobicContact CE2-CB 4.45Å; S44-P77 WeakPolarHBondContact O-CB 3.37Å; S44-P77 WeakPolarHBondContact O-CG 3.28Å; D46-P77 WeakPolarHBondContact O-CG 3.19Å; P77-Q79 PolarHBondContact O-N 3.23Å; P77-S80 PolarHBondContact O-N 3Å; P77-A81 PolarHBondContact O-N 3.32Å
78	V	89.9	Confident	90	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-38	175.1	65.1	0	0	0	0	112.7	F43 F76 V82 I106 A108 S112	F43-V78 HydrophobicContact CE1-CB 4.4Å; F43-V78 HydrophobicContact CE1-CG2 4.21Å; F43-V78 HydrophobicContact CE2-CB 3.83Å; F43-V78 HydrophobicContact CE2-CG2 4.46Å; F43-V78 HydrophobicContact CZ-CB 3.76Å; F43-V78 HydrophobicContact CZ-CG2 3.88Å; F76-V78 HydrophobicContact CB-CG1 4.41Å; F76-V78 PolarHBondContact O-N 3.05Å; V78-V82 HydrophobicContact CG2-CG2 4.27Å; V78-V82 WeakPolarHBondContact O-CB 3.42Å; V78-V82 VanDerWaalsContact O-CG2 3.25Å; V78-V82 WeakPolarHBondContact O-CG2 3.31Å; V78-V82 PolarHBondContact O-N 2.87Å; V78-I106 HydrophobicContact CG2-CG2 3.52Å; V78-A108 HydrophobicContact CB-CB 4.04Å; V78-A108 HydrophobicContact CG1-CB 4.38Å; V78-A108 HydrophobicContact CG2-CB 3.77Å; V78-S112 VanDerWaalsContact CG1-O 3.24Å; V78-S112 WeakPolarHBondContact CG1-O 3.26Å
79	Q	93.2	Very high	89.6	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-70.4	-43.9	177.9	-65.1	165.2	-8.4	0	0	110	F75 F76 P77 A81 V82 I83 G113 A117	F75-Q79 HydrophobicContact CB-CB 3.86Å; F75-Q79 HydrophobicContact CD1-CB 4.04Å; F75-Q79 HydrophobicContact CG-CB 4.17Å; F76-Q79 HydrophobicContact CB-CG 4.32Å; F76-Q79 WeakPolarHBondContact O-CA 3.18Å; F76-Q79 WeakPolarHBondContact O-CB 3.44Å; F76-Q79 PolarHBondContact O-N 3.22Å; P77-Q79 PolarHBondContact O-N 3.23Å; Q79-A81 VanDerWaalsContact C-N 3.26Å; Q79-A81 PolarHBondContact O-N 2.89Å; Q79-V82 PolarHBondContact O-N 3.36Å; Q79-I83 HydrophobicContact CB-CD1 3.82Å; Q79-I83 HydrophobicContact CB-CG1 4.45Å; Q79-I83 VanDerWaalsContact O-CB 3.26Å; Q79-I83 WeakPolarHBondContact O-CB 3.43Å; Q79-I83 WeakPolarHBondContact O-CG1 3.41Å; Q79-I83 PolarHBondContact O-N 3.19Å; Q79-G113 PolarHBondContact NE2-O 3.18Å; Q79-A117 HydrophobicContact CG-CB 3.99Å
80	S	90.3	Very high	89.1	Confident	14 Å²	14	33 Å²	33	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-35.1	175.7	-60.3	0	0	0	0	113	L51 F75 F76 P77 P84	L51-S80 PolarHBondContact N-OG 3.03Å; F75-S80 WeakPolarHBondContact CB-OG 3.24Å; F75-S80 PolarHBondContact O-OG 3.17Å; F76-S80 PolarHBondContact O-N 3.09Å; F76-S80 PolarHBondContact O-OG 2.95Å; P77-S80 PolarHBondContact O-N 3Å; S80-P84 WeakPolarHBondContact O-CD 3.46Å; S80-P84 VanDerWaalsContact O-CG 3.25Å; S80-P84 WeakPolarHBondContact O-CG 3.43Å
81	A	90.4	Very high	88.5	Confident	29 Å²	29	32.6 Å²	32.6	24%	0.24	19%	0.185	C	C	.	.	H	α-helix	trans	-80.6	-47.2	176.9	0	0	0	0	0	112.8	F43 P77 Q79 Y85 F310	F43-A81 HydrophobicContact CB-CB 3.97Å; F43-A81 HydrophobicContact CD1-CB 4.31Å; F43-A81 HydrophobicContact CG-CB 4.31Å; P77-A81 PolarHBondContact O-N 3.32Å; Q79-A81 VanDerWaalsContact C-N 3.26Å; Q79-A81 PolarHBondContact O-N 2.89Å; A81-Y85 WeakPolarHBondContact O-CB 3.34Å; A81-F310 HydrophobicContact CB-CD1 4.26Å
82	V	92.7	Very high	87.4	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-80.1	-40.5	-169.9	174	0	0	0	0	112.6	V78 Q79 Y85 M86 I106 A117 F310	V78-V82 HydrophobicContact CG2-CG2 4.27Å; V78-V82 WeakPolarHBondContact O-CB 3.42Å; V78-V82 VanDerWaalsContact O-CG2 3.25Å; V78-V82 WeakPolarHBondContact O-CG2 3.31Å; V78-V82 PolarHBondContact O-N 2.87Å; Q79-V82 PolarHBondContact O-N 3.36Å; V82-Y85 PolarHBondContact O-N 3.23Å; V82-M86 WeakPolarHBondContact O-CB 3.06Å; V82-M86 PolarHBondContact O-N 3.22Å; V82-I106 HydrophobicContact CB-CD1 4.44Å; V82-I106 HydrophobicContact CG1-CD1 3.77Å; V82-I106 HydrophobicContact CG2-CD1 3.98Å; V82-I106 HydrophobicContact CG2-CG1 4.15Å; V82-A117 HydrophobicContact CB-CB 4.35Å; V82-A117 HydrophobicContact CG1-CB 4.43Å; V82-F310 HydrophobicContact CG2-CB 4.27Å; V82-F310 HydrophobicContact CG2-CD1 4.19Å; V82-F310 HydrophobicContact CG2-CD2 4.19Å; V82-F310 HydrophobicContact CG2-CG 3.95Å
83	I	93.5	Very high	86	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-52	-173.3	-63.2	172.2	0	0	0	111.2	I59 F75 Q79 M86 L87 V120	I59-I83 HydrophobicContact CD1-CG2 4.08Å; F75-I83 HydrophobicContact CD1-CD1 4.06Å; F75-I83 HydrophobicContact CE1-CD1 3.83Å; F75-I83 HydrophobicContact CE2-CD1 4.4Å; F75-I83 HydrophobicContact CG-CD1 4.45Å; F75-I83 HydrophobicContact CZ-CD1 4.01Å; Q79-I83 HydrophobicContact CB-CD1 3.82Å; Q79-I83 HydrophobicContact CB-CG1 4.45Å; Q79-I83 VanDerWaalsContact O-CB 3.26Å; Q79-I83 WeakPolarHBondContact O-CB 3.43Å; Q79-I83 WeakPolarHBondContact O-CG1 3.41Å; Q79-I83 PolarHBondContact O-N 3.19Å; I83-M86 PolarHBondContact O-N 3.44Å; I83-L87 HydrophobicContact CG2-CD1 4.06Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 2.76Å; I83-L87 VanDerWaalsContact O-N 3.07Å; I83-V120 HydrophobicContact CD1-CB 4.08Å; I83-V120 HydrophobicContact CD1-CG1 4.25Å; I83-V120 HydrophobicContact CD1-CG2 4.41Å; I83-V120 HydrophobicContact CG2-CG1 4.2Å
84	P	90.6	Very high	84.2	Confident	33 Å²	33	38 Å²	38	21%	0.214	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-46	178.6	-21.1	34.6	0	0	0	111.5	V56 S80 M86 L87 D88	V56-P84 HydrophobicContact CG1-CG 4.16Å; V56-P84 HydrophobicContact CG2-CG 4.4Å; S80-P84 WeakPolarHBondContact O-CD 3.46Å; S80-P84 VanDerWaalsContact O-CG 3.25Å; S80-P84 WeakPolarHBondContact O-CG 3.43Å; P84-M86 VanDerWaalsContact C-N 3.33Å; P84-M86 PolarHBondContact O-N 3.23Å; P84-L87 PolarHBondContact O-N 3.32Å; P84-D88 WeakPolarHBondContact O-CB 3.43Å; P84-D88 PolarHBondContact O-N 2.98Å
85	Y	90.8	Very high	81.9	Confident	58 Å²	58	41.7 Å²	41.7	23%	0.227	21%	0.212	C	C	.	.	H	α-helix	trans	-56	-46.5	179.1	177	-92.3	0	0	0	112.5	A81 V82 D88 C89 I104 I308 F310	A81-Y85 WeakPolarHBondContact O-CB 3.34Å; V82-Y85 PolarHBondContact O-N 3.23Å; Y85-D88 PolarHBondContact O-N 2.89Å; Y85-C89 PolarHBondContact O-N 3.49Å; Y85-C89 VanDerWaalsContact O-N 3.09Å; Y85-C89 PolarHBondContact O-SG 3.4Å; Y85-I104 HydrophobicContact CD1-CD1 4.07Å; Y85-I104 HydrophobicContact CE1-CD1 4Å; Y85-I104 HydrophobicContact CE1-CG1 4.23Å; Y85-I308 HydrophobicContact CE1-CG2 4.07Å; Y85-I308 HydrophobicContact CE2-CD1 4.23Å; Y85-F310 AromaticContact CD1-CE2 3.96Å; Y85-F310 HydrophobicContact CD1-CE2 3.96Å; Y85-F310 AromaticContact CD1-CZ 3.62Å; Y85-F310 HydrophobicContact CD1-CZ 3.62Å; Y85-F310 HydrophobicContact CD2-CZ 4.05Å; Y85-F310 HydrophobicContact CE1-CE2 4.12Å; Y85-F310 HydrophobicContact CE1-CZ 4.03Å; Y85-F310 HydrophobicContact CE2-CZ 4.42Å; Y85-F310 HydrophobicContact CG-CE2 4.43Å; Y85-F310 AromaticContact CG-CZ 3.63Å; Y85-F310 HydrophobicContact CG-CZ 3.63Å
86	M	91	Very high	80	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-45.8	179.5	-175.4	173.5	151.1	0	0	111.3	V82 I83 P84 D88 C89 Y90 I104 P121 I122 L125 I219 I286	V82-M86 WeakPolarHBondContact O-CB 3.06Å; V82-M86 PolarHBondContact O-N 3.22Å; I83-M86 PolarHBondContact O-N 3.44Å; P84-M86 VanDerWaalsContact C-N 3.33Å; P84-M86 PolarHBondContact O-N 3.23Å; M86-D88 VanDerWaalsContact C-N 3.32Å; M86-D88 PolarHBondContact O-N 2.82Å; M86-C89 WeakPolarHBondContact O-CB 3.14Å; M86-C89 PolarHBondContact O-N 3.4Å; M86-Y90 HydrophobicContact CE-CE2 4.27Å; M86-Y90 HydrophobicContact CG-CD2 4.41Å; M86-Y90 HydrophobicContact CG-CE2 4.24Å; M86-Y90 VanDerWaalsContact O-CD2 3.27Å; M86-Y90 WeakPolarHBondContact O-CD2 3.21Å; M86-Y90 PolarHBondContact O-N 2.79Å; M86-I104 HydrophobicContact CB-CD1 4.39Å; M86-I104 HydrophobicContact CG-CD1 4.47Å; M86-P121 HydrophobicContact CB-CB 4.17Å; M86-P121 HydrophobicContact CB-CG 4.32Å; M86-P121 HydrophobicContact CE-CB 3.72Å; M86-P121 HydrophobicContact CE-CG 3.77Å; M86-P121 HydrophobicContact CG-CB 3.98Å; M86-P121 HydrophobicContact CG-CG 4.2Å; M86-P121 HydrophobicContact SD-CB 3.7Å; M86-P121 HydrophobicContact SD-CG 3.36Å; M86-P121 WeakPolarHBondContact SD-CG 3.35Å; M86-I122 HydrophobicContact CE-CG1 3.8Å; M86-L125 HydrophobicContact CE-CD1 3.91Å; M86-I219 HydrophobicContact CE-CD1 4.09Å; M86-I286 HydrophobicContact CE-CD1 4.18Å; M86-I286 HydrophobicContact SD-CD1 3.82Å
87	L	89.2	Confident	78.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-38.5	177.1	-68.5	-179.5	0	0	0	112	K58 I59 I83 P84 C89 Y90 F91 P121 Q124 L125	K58-L87 HydrophobicContact CB-CB 4.32Å; K58-L87 HydrophobicContact CB-CD1 4.01Å; K58-L87 HydrophobicContact CD-CB 4.46Å; I59-L87 HydrophobicContact CG1-CD1 4.01Å; I83-L87 HydrophobicContact CG2-CD1 4.06Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 2.76Å; I83-L87 VanDerWaalsContact O-N 3.07Å; P84-L87 PolarHBondContact O-N 3.32Å; L87-C89 PolarHBondContact O-N 2.77Å; L87-Y90 PolarHBondContact O-N 2.81Å; L87-F91 HydrophobicContact CB-CD2 3.92Å; L87-F91 HydrophobicContact CB-CE2 3.97Å; L87-F91 HydrophobicContact CD1-CE2 4.5Å; L87-F91 HydrophobicContact CD2-CE2 3.82Å; L87-F91 HydrophobicContact CG-CE2 4.3Å; L87-F91 WeakPolarHBondContact O-CB 3.45Å; L87-F91 WeakPolarHBondContact O-CD2 3.32Å; L87-F91 PolarHBondContact O-N 3.12Å; L87-P121 HydrophobicContact CD2-CB 3.72Å; L87-P121 HydrophobicContact CG-CB 3.99Å; L87-Q124 HydrophobicContact CD1-CG 4.32Å; L87-Q124 HydrophobicContact CD2-CB 3.96Å; L87-Q124 HydrophobicContact CD2-CG 3.77Å; L87-L125 HydrophobicContact CD2-CG 4.49Å
88	D	86.2	Confident	76.2	Confident	64 Å²	64	55.5 Å²	55.5	34%	0.342	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-43.6	176.6	-69.9	-3.5	0	0	0	111.8	K58 P84 Y85 M86 Y90 F91 T92	K58-D88 WeakPolarHBondContact CD-OD1 3.5Å; K58-D88 WeakPolarHBondContact CE-OD1 3.43Å; K58-D88 IonicContact NZ-OD1 3.18Å; K58-D88 PolarHBondContact NZ-OD1 3.02Å; P84-D88 WeakPolarHBondContact O-CB 3.43Å; P84-D88 PolarHBondContact O-N 2.98Å; Y85-D88 PolarHBondContact O-N 2.89Å; M86-D88 VanDerWaalsContact C-N 3.32Å; M86-D88 PolarHBondContact O-N 2.82Å; D88-Y90 PolarHBondContact O-N 3.3Å; D88-F91 PolarHBondContact O-N 2.93Å; D88-T92 WeakPolarHBondContact O-CB 3.37Å; D88-T92 PolarHBondContact O-N 2.94Å; D88-T92 PolarHBondContact O-OG1 2.9Å
89	C	82.6	Confident	74.7	Confident	29 Å²	29	58.2 Å²	58.2	20%	0.196	30%	0.298	C	S	.	.	H	α-helix	trans	-56.3	-35.9	176.8	-68	0	0	0	0	112.5	Y85 M86 L87 S93 P101	Y85-C89 PolarHBondContact O-N 3.49Å; Y85-C89 VanDerWaalsContact O-N 3.09Å; Y85-C89 PolarHBondContact O-SG 3.4Å; M86-C89 WeakPolarHBondContact O-CB 3.14Å; M86-C89 PolarHBondContact O-N 3.4Å; L87-C89 PolarHBondContact O-N 2.77Å; C89-S93 PolarHBondContact O-OG 2.99Å; C89-P101 HydrophobicContact CB-CB 4.3Å
90	Y	80.4	Confident	73.7	Confident	52 Å²	52	59.5 Å²	59.5	20%	0.204	30%	0.303	C	S	.	.	H	α-helix	trans	-90.2	-38	-178	-76.5	-78.2	0	0	0	113.5	M86 L87 D88 P101 L125 I219 Q284	M86-Y90 HydrophobicContact CE-CE2 4.27Å; M86-Y90 HydrophobicContact CG-CD2 4.41Å; M86-Y90 HydrophobicContact CG-CE2 4.24Å; M86-Y90 VanDerWaalsContact O-CD2 3.27Å; M86-Y90 WeakPolarHBondContact O-CD2 3.21Å; M86-Y90 PolarHBondContact O-N 2.79Å; L87-Y90 PolarHBondContact O-N 2.81Å; D88-Y90 PolarHBondContact O-N 3.3Å; Y90-P101 HydrophobicContact CE1-CG 4.36Å; Y90-L125 HydrophobicContact CD1-CD1 4.29Å; Y90-L125 HydrophobicContact CD1-CD2 4.19Å; Y90-L125 HydrophobicContact CD2-CD1 3.42Å; Y90-L125 VanDerWaalsContact CD2-CD1 3.42Å; Y90-L125 HydrophobicContact CD2-CD2 3.92Å; Y90-L125 HydrophobicContact CD2-CG 4.3Å; Y90-L125 HydrophobicContact CE1-CD1 4.38Å; Y90-L125 HydrophobicContact CE2-CD1 3.55Å; Y90-L125 HydrophobicContact CG-CD1 3.83Å; Y90-L125 HydrophobicContact CG-CD2 3.58Å; Y90-L125 HydrophobicContact CG-CG 4.37Å; Y90-I219 WeakPolarHBondContact OH-CG1 3.24Å; Y90-Q284 VanDerWaalsContact CE2-OE1 3.32Å; Y90-Q284 PolarHBondContact OH-OE1 3.3Å
91	F	77.9	Confident	73.2	Confident	52 Å²	52	59.6 Å²	59.6	23%	0.228	30%	0.303	C	S	.	.	H	α-helix	trans	-83.2	-38.3	-175.6	-69.5	-51.9	0	0	0	113.6	K58 L87 D88 S93 K94 Q124	K58-F91 HydrophobicContact CB-CD2 4.17Å; K58-F91 HydrophobicContact CB-CE2 4.11Å; K58-F91 HydrophobicContact CD-CD2 3.92Å; K58-F91 HydrophobicContact CG-CD2 4.44Å; L87-F91 HydrophobicContact CB-CD2 3.92Å; L87-F91 HydrophobicContact CB-CE2 3.97Å; L87-F91 HydrophobicContact CD1-CE2 4.5Å; L87-F91 HydrophobicContact CD2-CE2 3.82Å; L87-F91 HydrophobicContact CG-CE2 4.3Å; L87-F91 WeakPolarHBondContact O-CB 3.45Å; L87-F91 WeakPolarHBondContact O-CD2 3.32Å; L87-F91 PolarHBondContact O-N 3.12Å; D88-F91 PolarHBondContact O-N 2.93Å; F91-S93 PolarHBondContact O-N 3.21Å; F91-K94 WeakPolarHBondContact O-CB 3.31Å; F91-K94 WeakPolarHBondContact O-CG 3.16Å; F91-K94 PolarHBondContact O-N 3.41Å; F91-K94 VanDerWaalsContact O-N 3.1Å; F91-Q124 HydrophobicContact CE2-CG 4.42Å; F91-Q124 HydrophobicContact CZ-CG 4.23Å
92	T	66	Low	73	Confident	92 Å²	92	61.7 Å²	61.7	56%	0.564	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-66	-26.4	176.6	-53.9	0	0	0	0	110.9	D88 K94 H95	D88-T92 WeakPolarHBondContact O-CB 3.37Å; D88-T92 PolarHBondContact O-N 2.94Å; D88-T92 PolarHBondContact O-OG1 2.9Å; T92-K94 PolarHBondContact O-N 3Å; T92-H95 PolarHBondContact O-N 3.24Å
93	S	56.7	Low	72.9	Confident	33 Å²	33	61.6 Å²	61.6	23%	0.231	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-64.8	-3.2	172.8	-62.2	0	0	0	0	114.2	C89 F91 H95 R96 P97	C89-S93 PolarHBondContact O-OG 2.99Å; F91-S93 PolarHBondContact O-N 3.21Å; S93-H95 PolarHBondContact O-N 3.4Å; S93-R96 CarbonylContact O-C 3.57Å; S93-R96 PolarHBondContact O-N 3.37Å; S93-P97 VanDerWaalsContact O-CA 3.25Å; S93-P97 WeakPolarHBondContact O-CA 3.44Å
94	K	49.2	Very low	72.9	Confident	165 Å²	165	61.6 Å²	61.6	72%	0.717	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-56.6	-28.1	168.8	-79.1	-176.1	176.9	-176.3	0	113.1	F91 T92	F91-K94 WeakPolarHBondContact O-CB 3.31Å; F91-K94 WeakPolarHBondContact O-CG 3.16Å; F91-K94 PolarHBondContact O-N 3.41Å; F91-K94 VanDerWaalsContact O-N 3.1Å; T92-K94 PolarHBondContact O-N 3Å
95	H	41.4	Very low	72.9	Confident	178 Å²	178	60 Å²	60	82%	0.824	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-95.6	-9.2	173.6	-65.6	-68.8	0	0	0	114	T92 S93	T92-H95 PolarHBondContact O-N 3.24Å; S93-H95 PolarHBondContact O-N 3.4Å
96	R	50.1	Low	73	Confident	184 Å²	184	57.3 Å²	57.3	69%	0.694	28%	0.283	S	S	*	.			trans	-140.7	71	175.8	-68	-172.6	-174	-177.9	2.7	110	S93 L98	S93-R96 CarbonylContact O-C 3.57Å; S93-R96 PolarHBondContact O-N 3.37Å; R96-L98 PolarHBondContact O-N 3.3Å
97	P	48.5	Very low	72.9	Confident	103 Å²	103	58.1 Å²	58.1	67%	0.669	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	0.3	-168.8	22.3	-30.7	0	0	0	115.2	S93	S93-P97 VanDerWaalsContact O-CA 3.25Å; S93-P97 WeakPolarHBondContact O-CA 3.44Å
98	L	50.5	Low	72.7	Confident	75 Å²	75	58.1 Å²	58.1	39%	0.393	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-3.6	-167.2	-67.6	115.3	0	0	0	115.3	R96 R100 R277	R96-L98 PolarHBondContact O-N 3.3Å; L98-R100 PolarHBondContact O-N 3.02Å; L98-R277 HydrophobicContact CD2-CB 4.22Å; L98-R277 HydrophobicContact CD2-CG 3.94Å
99	C	58.3	Low	72.5	Confident	59 Å²	59	56.4 Å²	56.4	40%	0.399	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-84.3	116.8	177.8	-65.1	0	0	0	0	110.5
100	R	71.7	Confident	72.3	Confident	28 Å²	28	55.7 Å²	55.7	11%	0.106	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-54	124.1	170.9	175.5	172.4	177.4	171.5	-7.9	109.5	L98 D103 T282 L283 Y305	L98-R100 PolarHBondContact O-N 3.02Å; R100-D103 IonicContact NH2-OD2 3.02Å; R100-T282 HydrophobicContact CB-CG2 3.88Å; R100-T282 HydrophobicContact CG-CG2 4.23Å; R100-L283 VanDerWaalsContact CZ-O 3.28Å; R100-L283 PolarHBondContact NE-O 3.4Å; R100-L283 PolarHBondContact NH2-O 2.67Å; R100-L283 VanDerWaalsContact NH2-O 3.15Å; R100-Y305 HydrophobicContact CB-CD1 4.37Å; R100-Y305 HydrophobicContact CB-CE1 3.93Å; R100-Y305 VanDerWaalsContact CD-CD1 3.47Å; R100-Y305 HydrophobicContact CG-CD1 3.69Å; R100-Y305 HydrophobicContact CG-CE1 3.77Å
101	P	79.7	Confident	72.1	Confident	16 Å²	16	54.7 Å²	54.7	10%	0.104	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-64.8	147.8	176.6	29.3	-36.3	0	0	0	110.2	C89 Y90 Q284	C89-P101 HydrophobicContact CB-CB 4.3Å; Y90-P101 HydrophobicContact CE1-CG 4.36Å; P101-Q284 HydrophobicContact CB-CG 4.29Å; P101-Q284 HydrophobicContact CG-CB 3.87Å; P101-Q284 HydrophobicContact CG-CG 3.92Å
102	R	86.2	Confident	72.1	Confident	72 Å²	72	53 Å²	53	27%	0.272	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-62.3	144.1	177.6	-65.2	-178	63.1	-172.2	3.9	110.7	Q284 F306 P307	R102-Q284 PolarHBondContact O-NE2 3.14Å; R102-F306 WeakPolarHBondContact CB-O 3.44Å; R102-F306 HydrophobicContact CG-CD1 3.82Å; R102-F306 PolarHBondContact NE-O 3.42Å; R102-P307 PolarHBondContact NH2-O 3.03Å
103	D	90.8	Very high	73	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-69.4	144.6	171	-70	-12.6	0	0	0	110	R100 K285 L304 Y305 P307 I308	R100-D103 IonicContact NH2-OD2 3.02Å; D103-K285 CarbonylContact C-O 3.57Å; D103-K285 VanDerWaalsContact CA-O 3.25Å; D103-K285 WeakPolarHBondContact CA-O 2.96Å; D103-K285 HydrophobicContact CB-CB 4.28Å; D103-K285 WeakPolarHBondContact CB-O 3.38Å; D103-K285 PolarHBondContact OD1-N 2.7Å; D103-L304 HydrophobicContact CB-CB 4.43Å; D103-L304 HydrophobicContact CB-CD2 4.38Å; D103-L304 WeakPolarHBondContact OD2-CA 3.12Å; D103-Y305 PolarHBondContact N-O 3.37Å; D103-Y305 PolarHBondContact OD2-N 3Å; D103-P307 HydrophobicContact CB-CB 4.45Å; D103-P307 CarbonylContact O-C 3.55Å; D103-P307 WeakPolarHBondContact O-CA 3.39Å; D103-I308 PolarHBondContact O-N 2.86Å
104	I	93	Very high	74.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128	-172	-60	176.2	0	0	0	109.2	Y85 M86 I106 K285 I286 L287 I308 F310	Y85-I104 HydrophobicContact CD1-CD1 4.07Å; Y85-I104 HydrophobicContact CE1-CD1 4Å; Y85-I104 HydrophobicContact CE1-CG1 4.23Å; M86-I104 HydrophobicContact CB-CD1 4.39Å; M86-I104 HydrophobicContact CG-CD1 4.47Å; I104-I106 HydrophobicContact CG2-CD1 4.33Å; I104-I106 HydrophobicContact CG2-CG1 3.78Å; I104-K285 PolarHBondContact N-O 3.31Å; I104-I286 HydrophobicContact CB-CG1 4.37Å; I104-I286 HydrophobicContact CB-CG2 4.33Å; I104-I286 CarbonylContact O-C 3.56Å; I104-I286 VanDerWaalsContact O-CA 3.26Å; I104-I286 WeakPolarHBondContact O-CA 3.06Å; I104-L287 PolarHBondContact O-N 3.39Å; I104-I308 HydrophobicContact CB-CG2 4.5Å; I104-I308 HydrophobicContact CG1-CG2 4.1Å; I104-F310 HydrophobicContact CG2-CD2 3.78Å; I104-F310 HydrophobicContact CG2-CE2 3.86Å
105	C	91.8	Very high	76.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.2	170.3	-66.9	0	0	0	0	108.6	W36 L287 L292 I308 L309 F310	W36-C105 HydrophobicContact CZ3-CB 3.98Å; C105-L287 CarbonylContact C-O 3.53Å; C105-L287 WeakPolarHBondContact CA-O 3.21Å; C105-L292 HydrophobicContact CB-CD2 4.06Å; C105-I308 PolarHBondContact N-O 2.98Å; C105-L309 HydrophobicContact CB-CD1 3.85Å; C105-L309 CarbonylContact O-C 3.42Å; C105-L309 WeakPolarHBondContact O-CA 3.4Å; C105-F310 PolarHBondContact O-N 3.36Å
106	I	91.7	Very high	79.2	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.6	179.8	-52	176.1	0	0	0	108.4	V78 V82 I104 A108 I286 L287 V288 S289	V78-I106 HydrophobicContact CG2-CG2 3.52Å; V82-I106 HydrophobicContact CB-CD1 4.44Å; V82-I106 HydrophobicContact CG1-CD1 3.77Å; V82-I106 HydrophobicContact CG2-CD1 3.98Å; V82-I106 HydrophobicContact CG2-CG1 4.15Å; I104-I106 HydrophobicContact CG2-CD1 4.33Å; I104-I106 HydrophobicContact CG2-CG1 3.78Å; I106-A108 HydrophobicContact CG2-CB 4.43Å; I106-I286 HydrophobicContact CD1-CG2 4.23Å; I106-L287 PolarHBondContact N-O 3.4Å; I106-V288 HydrophobicContact CB-CG1 4.45Å; I106-V288 HydrophobicContact CB-CG2 4.48Å; I106-V288 HydrophobicContact CD1-CG2 4.12Å; I106-S289 PolarHBondContact O-N 3.14Å; I106-S289 VanDerWaalsContact O-O 3.08Å
107	C	89.2	Confident	81.3	Confident	16 Å²	16	26.2 Å²	26.2	11%	0.108	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	105.8	171.2	-168.8	0	0	0	0	109.2	S289 L292 L309 F310 T311 M373	C107-S289 WeakPolarHBondContact CA-O 3.12Å; C107-L292 HydrophobicContact CB-CB 4.2Å; C107-L309 HydrophobicContact CB-CD1 4.01Å; C107-F310 PolarHBondContact N-O 3.34Å; C107-T311 WeakPolarHBondContact O-CA 3.39Å; C107-M373 WeakPolarHBondContact O-CE 3.19Å
108	A	85.8	Confident	83.5	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.128	C	C	.	.			trans	-145.6	146.4	-179.9	0	0	0	0	0	111.3	F43 V78 I106 S112 K114 S289 A290	F43-A108 HydrophobicContact CZ-CB 3.98Å; V78-A108 HydrophobicContact CB-CB 4.04Å; V78-A108 HydrophobicContact CG1-CB 4.38Å; V78-A108 HydrophobicContact CG2-CB 3.77Å; I106-A108 HydrophobicContact CG2-CB 4.43Å; A108-S112 WeakPolarHBondContact CB-OG 3.42Å; A108-K114 HydrophobicContact CB-CD 3.97Å; A108-K114 HydrophobicContact CB-CG 4.04Å; A108-K114 PolarHBondContact O-NZ 2.88Å; A108-S289 PolarHBondContact N-O 3.41Å; A108-A290 VanDerWaalsContact O-CA 3.3Å; A108-A290 WeakPolarHBondContact O-CA 3.41Å
109	P	80.4	Confident	85.7	Confident	29 Å²	29	17.8 Å²	17.8	19%	0.188	11%	0.11	C	C	.	.			trans	-57.3	154.8	-173.6	24.6	-33	0	0	0	111.6	G111 S112 K114	P109-G111 PolarHBondContact O-N 3.25Å; P109-S112 WeakPolarHBondContact O-CB 3.39Å; P109-S112 PolarHBondContact O-N 2.88Å; P109-S112 PolarHBondContact O-OG 3.07Å; P109-K114 PolarHBondContact O-NZ 2.86Å
110	T	79.5	Confident	87.4	Confident	14 Å²	14	15 Å²	15	9%	0.086	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	138.5	174.3	50.2	0	0	0	0	110.5	A290 G493	T110-A290 HydrophobicContact CG2-CB 3.66Å; T110-G493 VanDerWaalsContact OG1-C 3.27Å; T110-G493 WeakPolarHBondContact OG1-CA 3.36Å; T110-G493 PolarHBondContact OG1-O 3.21Å
111	G	75.2	Confident	88.5	Confident	31 Å²	31	13.7 Å²	13.7	32%	0.32	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	9	-177.1	0	0	0	0	0	115.6	P109 G113	P109-G111 PolarHBondContact O-N 3.25Å; G111-G113 PolarHBondContact O-N 3.22Å
112	S	78.8	Confident	89.2	Confident	17 Å²	17	12.9 Å²	12.9	12%	0.119	8%	0.081	C	C	.	.	S	Bend	trans	-80.9	7.9	171.2	55.6	0	0	0	0	114.3	F76 V78 A108 P109 K114	F76-S112 WeakPolarHBondContact CB-O 3.27Å; V78-S112 VanDerWaalsContact CG1-O 3.24Å; V78-S112 WeakPolarHBondContact CG1-O 3.26Å; A108-S112 WeakPolarHBondContact CB-OG 3.42Å; P109-S112 WeakPolarHBondContact O-CB 3.39Å; P109-S112 PolarHBondContact O-N 2.88Å; P109-S112 PolarHBondContact O-OG 3.07Å; S112-K114 WeakPolarHBondContact OG-CG 3.08Å
113	G	84.4	Confident	89.5	Confident	23 Å²	23	9.5 Å²	9.5	24%	0.237	7%	0.068	C	C	.	.			trans	71.3	29.2	179.5	0	0	0	0	0	114.9	Q79 G111 T115 L116	Q79-G113 PolarHBondContact NE2-O 3.18Å; G111-G113 PolarHBondContact O-N 3.22Å; G113-T115 PolarHBondContact O-N 2.78Å; G113-T115 VanDerWaalsContact O-N 3.11Å; G113-L116 PolarHBondContact O-N 3.32Å; G113-L116 VanDerWaalsContact O-N 3.09Å
114	K	90.2	Very high	89.7	Confident	19 Å²	19	10.2 Å²	10.2	8%	0.083	7%	0.071	C	C	.	.	H	α-helix	trans	-49.8	-36.3	-178.8	-63.5	-168.1	-70.9	-79.2	0	114.4	A108 P109 S112 L116 A117 Y118 V288	A108-K114 HydrophobicContact CB-CD 3.97Å; A108-K114 HydrophobicContact CB-CG 4.04Å; A108-K114 PolarHBondContact O-NZ 2.88Å; P109-K114 PolarHBondContact O-NZ 2.86Å; S112-K114 WeakPolarHBondContact OG-CG 3.08Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 3.22Å; K114-A117 VanDerWaalsContact O-CB 3.26Å; K114-A117 WeakPolarHBondContact O-CB 3.38Å; K114-A117 PolarHBondContact O-N 3.09Å; K114-Y118 VanDerWaalsContact O-CD1 3.31Å; K114-Y118 WeakPolarHBondContact O-CD1 3.41Å; K114-V288 HydrophobicContact CB-CG1 3.77Å; K114-V288 HydrophobicContact CD-CG1 3.62Å; K114-V288 HydrophobicContact CG-CG1 4.26Å
115	T	93.4	Very high	89.5	Confident	22 Å²	22	11.9 Å²	11.9	14%	0.135	8%	0.08	C	C	.	.	H	α-helix	trans	-56.2	-44.1	179.2	-51.6	0	0	0	0	112.5	G113 A117 Y118 A119 V149 T152	G113-T115 PolarHBondContact O-N 2.78Å; G113-T115 VanDerWaalsContact O-N 3.11Å; T115-A117 VanDerWaalsContact C-N 3.29Å; T115-A117 PolarHBondContact O-N 3.18Å; T115-Y118 VanDerWaalsContact CA-CE1 3.48Å; T115-A119 WeakPolarHBondContact O-CB 3.43Å; T115-A119 PolarHBondContact O-N 3.4Å; T115-V149 HydrophobicContact CG2-CG1 4.27Å; T115-V149 HydrophobicContact CG2-CG2 4.19Å; T115-T152 HydrophobicContact CG2-CG2 4.02Å
116	L	93.8	Very high	89.5	Confident	25 Å²	25	12.3 Å²	12.3	13%	0.131	8%	0.082	C	C	.	.	H	α-helix	trans	-70.1	-27.7	178.7	-68	170.7	0	0	0	112.5	I72 G113 K114 Y118 A119 V120 T152 L156	I72-L116 HydrophobicContact CD1-CD1 3.5Å; G113-L116 PolarHBondContact O-N 3.32Å; G113-L116 VanDerWaalsContact O-N 3.09Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 3.22Å; L116-Y118 PolarHBondContact O-N 3.19Å; L116-A119 PolarHBondContact O-N 3.37Å; L116-V120 HydrophobicContact CB-CG2 4.4Å; L116-V120 HydrophobicContact CD2-CG2 4.41Å; L116-V120 WeakPolarHBondContact O-CB 3.48Å; L116-V120 WeakPolarHBondContact O-CG2 3.21Å; L116-V120 PolarHBondContact O-N 3.2Å; L116-V120 VanDerWaalsContact O-N 3.08Å; L116-T152 HydrophobicContact CD2-CG2 3.66Å; L116-T152 HydrophobicContact CG-CG2 4.37Å; L116-L156 HydrophobicContact CD2-CD1 3.83Å; L116-L156 HydrophobicContact CD2-CD2 4.46Å
117	A	93.9	Very high	89.3	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-33.1	-179	0	0	0	0	0	112.3	Q79 V82 K114 T115 P121	Q79-A117 HydrophobicContact CG-CB 3.99Å; V82-A117 HydrophobicContact CB-CB 4.35Å; V82-A117 HydrophobicContact CG1-CB 4.43Å; K114-A117 VanDerWaalsContact O-CB 3.26Å; K114-A117 WeakPolarHBondContact O-CB 3.38Å; K114-A117 PolarHBondContact O-N 3.09Å; T115-A117 VanDerWaalsContact C-N 3.29Å; T115-A117 PolarHBondContact O-N 3.18Å; A117-P121 WeakPolarHBondContact O-CD 3.3Å; A117-P121 VanDerWaalsContact O-CG 3.27Å; A117-P121 WeakPolarHBondContact O-CG 3.47Å
118	Y	95.5	Very high	89	Confident	1 Å²	1	20.2 Å²	20.2	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-99.5	-31	172.1	64.1	-101.9	0	0	0	113.2	K114 T115 L116 P121 I122 I138 F153 V221 D223 V288	K114-Y118 VanDerWaalsContact O-CD1 3.31Å; K114-Y118 WeakPolarHBondContact O-CD1 3.41Å; T115-Y118 VanDerWaalsContact CA-CE1 3.48Å; L116-Y118 PolarHBondContact O-N 3.19Å; Y118-P121 WeakPolarHBondContact O-CD 3.48Å; Y118-P121 WeakPolarHBondContact O-CG 3.26Å; Y118-I122 HydrophobicContact CD2-CD1 4.08Å; Y118-I122 WeakPolarHBondContact O-CB 3.41Å; Y118-I122 VanDerWaalsContact O-CD1 3.29Å; Y118-I122 WeakPolarHBondContact O-CD1 3.5Å; Y118-I122 WeakPolarHBondContact O-CG1 3.23Å; Y118-I122 PolarHBondContact O-N 3.3Å; Y118-I138 HydrophobicContact CE2-CG1 4.35Å; Y118-I138 HydrophobicContact CE2-CG2 4.29Å; Y118-F153 HydrophobicContact CD2-CE2 4.35Å; Y118-F153 HydrophobicContact CD2-CZ 4.07Å; Y118-F153 AromaticContact CE2-CE2 3.74Å; Y118-F153 HydrophobicContact CE2-CE2 3.74Å; Y118-F153 AromaticContact CE2-CZ 3.9Å; Y118-F153 HydrophobicContact CE2-CZ 3.9Å; Y118-V221 HydrophobicContact CD1-CG1 4.1Å; Y118-V221 HydrophobicContact CD2-CG1 3.96Å; Y118-V221 HydrophobicContact CD2-CG2 4.08Å; Y118-V221 HydrophobicContact CE1-CG1 4.11Å; Y118-V221 HydrophobicContact CE2-CG1 4.01Å; Y118-V221 HydrophobicContact CG-CG1 4.02Å; Y118-V221 HydrophobicContact CG-CG2 4.45Å; Y118-D223 PolarHBondContact OH-OD2 3.42Å; Y118-V288 HydrophobicContact CD1-CG2 3.88Å; Y118-V288 HydrophobicContact CE1-CG2 4.15Å
119	A	96	Very high	89	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.6	-44.8	-177.1	0	0	0	0	0	113.2	T115 L116 I122 I123 F153 L156	T115-A119 WeakPolarHBondContact O-CB 3.43Å; T115-A119 PolarHBondContact O-N 3.4Å; L116-A119 PolarHBondContact O-N 3.37Å; A119-I122 PolarHBondContact O-N 2.73Å; A119-I123 WeakPolarHBondContact O-CG1 3.33Å; A119-I123 PolarHBondContact O-N 3.34Å; A119-F153 HydrophobicContact CB-CD1 4.42Å; A119-F153 HydrophobicContact CB-CD2 4.18Å; A119-F153 HydrophobicContact CB-CE1 3.92Å; A119-F153 HydrophobicContact CB-CE2 3.65Å; A119-F153 HydrophobicContact CB-CZ 3.52Å; A119-L156 HydrophobicContact CB-CD1 3.93Å
120	V	94.6	Very high	89	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58	-53.5	180	172.4	0	0	0	0	111.9	I59 L63 L67 I83 L116 I122 I123 Q124 L156	I59-V120 HydrophobicContact CD1-CG1 4.12Å; L63-V120 HydrophobicContact CD1-CG1 4.48Å; L67-V120 HydrophobicContact CD1-CG2 4.49Å; L67-V120 HydrophobicContact CD2-CG2 4.26Å; I83-V120 HydrophobicContact CD1-CB 4.08Å; I83-V120 HydrophobicContact CD1-CG1 4.25Å; I83-V120 HydrophobicContact CD1-CG2 4.41Å; I83-V120 HydrophobicContact CG2-CG1 4.2Å; L116-V120 HydrophobicContact CB-CG2 4.4Å; L116-V120 HydrophobicContact CD2-CG2 4.41Å; L116-V120 WeakPolarHBondContact O-CB 3.48Å; L116-V120 WeakPolarHBondContact O-CG2 3.21Å; L116-V120 PolarHBondContact O-N 3.2Å; L116-V120 VanDerWaalsContact O-N 3.08Å; V120-I122 PolarHBondContact O-N 3.08Å; V120-I123 PolarHBondContact O-N 3.15Å; V120-Q124 WeakPolarHBondContact O-CB 3.33Å; V120-Q124 PolarHBondContact O-N 3.44Å; V120-L156 HydrophobicContact CG2-CD1 4.39Å
121	P	93.9	Very high	89.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.5	-33.2	-179.1	27.8	-36.9	0	0	0	112.5	M86 L87 A117 Y118 I123 Q124 L125	M86-P121 HydrophobicContact CB-CB 4.17Å; M86-P121 HydrophobicContact CB-CG 4.32Å; M86-P121 HydrophobicContact CE-CB 3.72Å; M86-P121 HydrophobicContact CE-CG 3.77Å; M86-P121 HydrophobicContact CG-CB 3.98Å; M86-P121 HydrophobicContact CG-CG 4.2Å; M86-P121 HydrophobicContact SD-CB 3.7Å; M86-P121 HydrophobicContact SD-CG 3.36Å; M86-P121 WeakPolarHBondContact SD-CG 3.35Å; L87-P121 HydrophobicContact CD2-CB 3.72Å; L87-P121 HydrophobicContact CG-CB 3.99Å; A117-P121 WeakPolarHBondContact O-CD 3.3Å; A117-P121 VanDerWaalsContact O-CG 3.27Å; A117-P121 WeakPolarHBondContact O-CG 3.47Å; Y118-P121 WeakPolarHBondContact O-CD 3.48Å; Y118-P121 WeakPolarHBondContact O-CG 3.26Å; P121-I123 PolarHBondContact O-N 2.92Å; P121-Q124 PolarHBondContact O-N 2.76Å; P121-L125 WeakPolarHBondContact O-CD1 3.43Å; P121-L125 WeakPolarHBondContact O-CG 3.49Å; P121-L125 PolarHBondContact O-N 2.95Å
122	I	94.4	Very high	89.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-48.3	174.4	-70.3	169	0	0	0	111.1	M86 Y118 A119 V120 L125 F126 A136 F153 I194 I219 V221	M86-I122 HydrophobicContact CE-CG1 3.8Å; Y118-I122 HydrophobicContact CD2-CD1 4.08Å; Y118-I122 WeakPolarHBondContact O-CB 3.41Å; Y118-I122 VanDerWaalsContact O-CD1 3.29Å; Y118-I122 WeakPolarHBondContact O-CD1 3.5Å; Y118-I122 WeakPolarHBondContact O-CG1 3.23Å; Y118-I122 PolarHBondContact O-N 3.3Å; A119-I122 PolarHBondContact O-N 2.73Å; V120-I122 PolarHBondContact O-N 3.08Å; I122-L125 PolarHBondContact O-N 3.04Å; I122-F126 HydrophobicContact CG2-CD2 4.25Å; I122-F126 HydrophobicContact CG2-CE2 3.89Å; I122-F126 HydrophobicContact CG2-CZ 4.12Å; I122-F126 WeakPolarHBondContact O-CG 3.1Å; I122-F126 PolarHBondContact O-N 3.23Å; I122-A136 HydrophobicContact CG2-CB 3.91Å; I122-F153 HydrophobicContact CD1-CZ 4.37Å; I122-F153 HydrophobicContact CG2-CE1 4.28Å; I122-I194 HydrophobicContact CG2-CD1 4.1Å; I122-I219 HydrophobicContact CD1-CG2 4.09Å; I122-I219 HydrophobicContact CG1-CD1 3.97Å; I122-I219 HydrophobicContact CG1-CG2 4.29Å; I122-V221 HydrophobicContact CD1-CG2 3.75Å
123	I	94.3	Very high	90	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-43.7	-178.8	-64.5	165.8	0	0	0	110	L63 A119 V120 P121 L125 F126 L127 F153 L156 V157 I162 I194	L63-I123 HydrophobicContact CD1-CG2 4.37Å; L63-I123 HydrophobicContact CD2-CG2 3.88Å; A119-I123 WeakPolarHBondContact O-CG1 3.33Å; A119-I123 PolarHBondContact O-N 3.34Å; V120-I123 PolarHBondContact O-N 3.15Å; P121-I123 PolarHBondContact O-N 2.92Å; I123-L125 PolarHBondContact O-N 3.44Å; I123-F126 PolarHBondContact O-N 2.86Å; I123-L127 HydrophobicContact CG2-CD2 4.49Å; I123-L127 WeakPolarHBondContact O-CG 3.28Å; I123-L127 PolarHBondContact O-N 2.82Å; I123-F153 HydrophobicContact CD1-CD1 4Å; I123-F153 HydrophobicContact CD1-CE1 4.45Å; I123-F153 HydrophobicContact CG1-CD1 4.18Å; I123-F153 HydrophobicContact CG1-CE1 4.36Å; I123-L156 HydrophobicContact CD1-CB 3.29Å; I123-L156 HydrophobicContact CD1-CD1 3.68Å; I123-L156 HydrophobicContact CD1-CG 4.14Å; I123-V157 HydrophobicContact CD1-CG2 3.8Å; I123-V157 HydrophobicContact CG1-CG2 3.97Å; I123-V157 HydrophobicContact CG2-CG2 4.28Å; I123-I162 HydrophobicContact CG2-CD1 4.17Å; I123-I194 HydrophobicContact CG1-CD1 4.44Å
124	Q	93.2	Very high	90.3	Very high	15 Å²	15	36.1 Å²	36.1	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-55.9	-36.7	176.9	-177.8	57.8	64.8	0	0	112.6	L63 L87 F91 V120 P121 F126	L63-Q124 HydrophobicContact CD1-CB 3.72Å; L63-Q124 HydrophobicContact CD1-CG 4.49Å; L87-Q124 HydrophobicContact CD1-CG 4.32Å; L87-Q124 HydrophobicContact CD2-CB 3.96Å; L87-Q124 HydrophobicContact CD2-CG 3.77Å; F91-Q124 HydrophobicContact CE2-CG 4.42Å; F91-Q124 HydrophobicContact CZ-CG 4.23Å; V120-Q124 WeakPolarHBondContact O-CB 3.33Å; V120-Q124 PolarHBondContact O-N 3.44Å; P121-Q124 PolarHBondContact O-N 2.76Å; Q124-F126 VanDerWaalsContact C-N 3.32Å
125	L	89.5	Confident	90.4	Very high	37 Å²	37	36.9 Å²	36.9	19%	0.194	18%	0.18	C	C	.	.	H	α-helix	trans	-71.2	-27.5	176.3	-67.9	167.7	0	0	0	112.9	M86 L87 Y90 P121 I122 I123 I219	M86-L125 HydrophobicContact CE-CD1 3.91Å; L87-L125 HydrophobicContact CD2-CG 4.49Å; Y90-L125 HydrophobicContact CD1-CD1 4.29Å; Y90-L125 HydrophobicContact CD1-CD2 4.19Å; Y90-L125 HydrophobicContact CD2-CD1 3.42Å; Y90-L125 VanDerWaalsContact CD2-CD1 3.42Å; Y90-L125 HydrophobicContact CD2-CD2 3.92Å; Y90-L125 HydrophobicContact CD2-CG 4.3Å; Y90-L125 HydrophobicContact CE1-CD1 4.38Å; Y90-L125 HydrophobicContact CE2-CD1 3.55Å; Y90-L125 HydrophobicContact CG-CD1 3.83Å; Y90-L125 HydrophobicContact CG-CD2 3.58Å; Y90-L125 HydrophobicContact CG-CG 4.37Å; P121-L125 WeakPolarHBondContact O-CD1 3.43Å; P121-L125 WeakPolarHBondContact O-CG 3.49Å; P121-L125 PolarHBondContact O-N 2.95Å; I122-L125 PolarHBondContact O-N 3.04Å; I123-L125 PolarHBondContact O-N 3.44Å; L125-I219 HydrophobicContact CD1-CD1 4.05Å
126	F	91.3	Very high	90.5	Very high	9 Å²	9	35.8 Å²	35.8	4%	0.039	17%	0.173	C	C	.	.	H	α-helix	trans	-94.5	-12.4	-175.4	-67.3	1.9	0	0	0	113.3	I122 I123 Q124 N128 R129 R135 A136 I162 I194	I122-F126 HydrophobicContact CG2-CD2 4.25Å; I122-F126 HydrophobicContact CG2-CE2 3.89Å; I122-F126 HydrophobicContact CG2-CZ 4.12Å; I122-F126 WeakPolarHBondContact O-CG 3.1Å; I122-F126 PolarHBondContact O-N 3.23Å; I123-F126 PolarHBondContact O-N 2.86Å; Q124-F126 VanDerWaalsContact C-N 3.32Å; F126-N128 PolarHBondContact O-N 3.37Å; F126-N128 VanDerWaalsContact O-N 3.11Å; F126-R129 WeakPolarHBondContact O-CB 3.35Å; F126-R129 WeakPolarHBondContact O-CG 3.41Å; F126-R129 PolarHBondContact O-N 2.69Å; F126-R135 HydrophobicContact CE1-CB 3.76Å; F126-R135 HydrophobicContact CE2-CB 3.64Å; F126-R135 HydrophobicContact CZ-CB 3.21Å; F126-R135 HydrophobicContact CZ-CG 4.38Å; F126-A136 HydrophobicContact CE2-CB 3.74Å; F126-A136 HydrophobicContact CZ-CB 3.82Å; F126-I162 HydrophobicContact CB-CD1 3.87Å; F126-I194 HydrophobicContact CD2-CD1 4.11Å; F126-I194 HydrophobicContact CD2-CG1 3.95Å; F126-I194 HydrophobicContact CE2-CD1 4.32Å; F126-I194 HydrophobicContact CE2-CG1 3.83Å
127	L	89.2	Confident	90.6	Very high	47 Å²	47	34.6 Å²	34.6	25%	0.246	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.8	175.5	-71.6	176.6	0	0	0	113.3	F62 L63 I123 T160 I162	F62-L127 HydrophobicContact CD1-CD1 4.45Å; F62-L127 HydrophobicContact CD1-CD2 4.08Å; F62-L127 HydrophobicContact CE1-CD2 4.4Å; L63-L127 HydrophobicContact CD1-CD1 4.34Å; L63-L127 HydrophobicContact CG-CD1 4.25Å; I123-L127 HydrophobicContact CG2-CD2 4.49Å; I123-L127 WeakPolarHBondContact O-CG 3.28Å; I123-L127 PolarHBondContact O-N 2.82Å; L127-T160 HydrophobicContact CD2-CG2 3.63Å; L127-I162 HydrophobicContact CD2-CD1 4.18Å
128	N	82.8	Confident	90.8	Very high	135 Å²	135	34.6 Å²	34.6	72%	0.722	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	19.4	-179.6	-62.5	-17.9	0	0	0	113.2	F126	F126-N128 PolarHBondContact O-N 3.37Å; F126-N128 VanDerWaalsContact O-N 3.11Å
129	R	85.2	Confident	90.8	Very high	29 Å²	29	34.6 Å²	34.6	11%	0.109	17%	0.167	C	C	.	.			trans	-79.8	130.2	-174.5	73.7	102.7	171.9	100.2	6.5	112	F126 H131 D161 D193	F126-R129 WeakPolarHBondContact O-CB 3.35Å; F126-R129 WeakPolarHBondContact O-CG 3.41Å; F126-R129 PolarHBondContact O-N 2.69Å; R129-H131 WeakPolarHBondContact CD-O 3.17Å; R129-D161 IonicContact CZ-OD1 2.87Å; R129-D161 IonicContact CZ-OD2 2.97Å; R129-D161 IonicContact NH1-OD1 3.91Å; R129-D161 IonicContact NH1-OD2 3.63Å; R129-D161 PolarHBondContact NH1-OD2 3.09Å; R129-D161 PolarHBondContact NH2-O 3.37Å; R129-D161 IonicContact NH2-OD1 3.42Å; R129-D161 IonicContact NH2-OD2 3.21Å; R129-D161 PolarHBondContact NH2-OD2 2.82Å; R129-D193 WeakPolarHBondContact CD-OD1 3.3Å; R129-D193 IonicContact CZ-OD1 3.66Å; R129-D193 IonicContact CZ-OD2 3.85Å; R129-D193 VanDerWaalsContact CZ-OD2 3.31Å; R129-D193 IonicContact NE-OD1 2.8Å; R129-D193 PolarHBondContact NE-OD1 2.94Å; R129-D193 IonicContact NE-OD2 3.99Å; R129-D193 PolarHBondContact NE-OD2 3.23Å; R129-D193 IonicContact NH2-OD1 3.68Å; R129-D193 IonicContact NH2-OD2 3.56Å; R129-D193 PolarHBondContact NH2-OD2 2.72Å
130	V	79.8	Confident	90.7	Very high	119 Å²	119	34.6 Å²	34.6	72%	0.721	17%	0.167	S	C	*	.	S	Bend	trans	-82.9	-34.5	-177.8	-178	0	0	0	0	113.3
131	H	81.3	Confident	90.4	Very high	112 Å²	112	35.5 Å²	35.5	52%	0.519	17%	0.173	S	C	.	.	S	Bend	trans	-125.9	151	-174.9	-59.4	-70.5	0	0	0	112	R129 F133 R135	R129-H131 WeakPolarHBondContact CD-O 3.17Å; H131-F133 HydrophobicContact CB-CD2 3.75Å; H131-F133 HydrophobicContact CB-CE2 3.34Å; H131-F133 HydrophobicContact CB-CZ 4.39Å; H131-R135 PolarHBondContact O-NH1 2.74Å; H131-R135 PolarHBondContact O-NH2 2.81Å
132	R	85.3	Confident	90	Very high	129 Å²	129	36.7 Å²	36.7	49%	0.487	18%	0.18	S	C	.	.			trans	-82.3	120.7	174.8	-70.7	-179.9	-173.3	145.5	3.7	111.5	D193	R132-D193 WeakPolarHBondContact CA-OD1 3.02Å
133	F	87.5	Confident	89.6	Confident	56 Å²	56	40.4 Å²	40.4	25%	0.246	19%	0.194	C	C	.	.			trans	-156.8	149.1	175.6	-67.6	-71.8	0	0	0	108.7	H131 R135 V192 D193 R216	H131-F133 HydrophobicContact CB-CD2 3.75Å; H131-F133 HydrophobicContact CB-CE2 3.34Å; H131-F133 HydrophobicContact CB-CZ 4.39Å; F133-R135 PolarHBondContact O-N 3.36Å; F133-R135 PolarHBondContact O-NH1 3.36Å; F133-V192 CarbonylContact C-O 3.58Å; F133-D193 PolarHBondContact N-OD1 2.73Å; F133-D193 WeakPolarHBondContact O-CA 3.48Å; F133-R216 HydrophobicContact CB-CB 4.2Å; F133-R216 VanDerWaalsContact CE2-CZ 3.45Å; F133-R216 HydrophobicContact CG-CG 4.49Å
134	I	91.3	Very high	89.1	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.015	20%	0.203	C	C	.	.			trans	-66.5	104.3	172.6	-62	155.7	0	0	0	108.7	V190 V192 D193 V195 F212 M214 R216 L217	I134-V190 HydrophobicContact CD1-CG1 3.74Å; I134-V190 HydrophobicContact CG1-CG1 3.7Å; I134-V192 HydrophobicContact CD1-CG2 4.29Å; I134-V192 HydrophobicContact CG1-CG2 3.96Å; I134-D193 WeakPolarHBondContact CA-O 3.44Å; I134-V195 HydrophobicContact CD1-CG2 3.88Å; I134-V195 HydrophobicContact CG1-CG2 3.79Å; I134-V195 HydrophobicContact CG2-CB 4.33Å; I134-V195 HydrophobicContact CG2-CG2 3.94Å; I134-F212 HydrophobicContact CD1-CD2 4.21Å; I134-F212 HydrophobicContact CD1-CE2 3.69Å; I134-F212 HydrophobicContact CD1-CZ 4.27Å; I134-M214 HydrophobicContact CB-SD 3.88Å; I134-M214 HydrophobicContact CD1-SD 3.74Å; I134-M214 HydrophobicContact CG1-SD 4.37Å; I134-M214 HydrophobicContact CG2-CE 3.84Å; I134-M214 HydrophobicContact CG2-SD 3.45Å; I134-M214 WeakPolarHBondContact CG2-SD 3.4Å; I134-R216 CarbonylContact O-C 3.6Å; I134-L217 HydrophobicContact CG2-CD1 4.35Å; I134-L217 WeakPolarHBondContact O-CA 3.15Å; I134-L217 PolarHBondContact O-N 3.01Å
135	R	91.5	Very high	88.8	Confident	35 Å²	35	41.9 Å²	41.9	13%	0.132	20%	0.202	C	C	.	.			trans	-106.9	-23.2	-179.5	-73.6	178.3	-176.7	82.1	-5.3	112.4	F126 H131 F133 D193 R218 I219	F126-R135 HydrophobicContact CE1-CB 3.76Å; F126-R135 HydrophobicContact CE2-CB 3.64Å; F126-R135 HydrophobicContact CZ-CB 3.21Å; F126-R135 HydrophobicContact CZ-CG 4.38Å; H131-R135 PolarHBondContact O-NH1 2.74Å; H131-R135 PolarHBondContact O-NH2 2.81Å; F133-R135 PolarHBondContact O-N 3.36Å; F133-R135 PolarHBondContact O-NH1 3.36Å; R135-D193 PolarHBondContact N-O 3.4Å; R135-D193 IonicContact NH1-OD1 3.07Å; R135-D193 PolarHBondContact NH1-OD1 2.66Å; R135-R218 PolarHBondContact O-N 2.65Å; R135-I219 PolarHBondContact O-N 2.69Å
136	A	95.3	Very high	88.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.6	174.7	0	0	0	0	0	111.3	I122 F126 I138 D193 I194 V195 I219	I122-A136 HydrophobicContact CG2-CB 3.91Å; F126-A136 HydrophobicContact CE2-CB 3.74Å; F126-A136 HydrophobicContact CZ-CB 3.82Å; A136-I138 HydrophobicContact CB-CD1 4.49Å; A136-D193 PolarHBondContact N-O 2.68Å; A136-I194 HydrophobicContact CB-CG1 4.3Å; A136-I194 HydrophobicContact CB-CG2 4.31Å; A136-I194 WeakPolarHBondContact O-CA 3.1Å; A136-V195 PolarHBondContact O-N 3.36Å; A136-I219 VanDerWaalsContact CA-O 3.31Å; A136-I219 WeakPolarHBondContact CA-O 3.25Å; A136-I219 HydrophobicContact CB-CB 4.32Å
137	L	96.7	Very high	88.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.5	173.1	173	60.3	0	0	0	107.8	I139 V195 A197 L202 M214 L217 I219 L220 V221 L240	L137-I139 HydrophobicContact CD1-CD1 3.89Å; L137-I139 HydrophobicContact CD2-CD1 4Å; L137-I139 HydrophobicContact CD2-CG1 4.41Å; L137-I139 HydrophobicContact CG-CD1 3.89Å; L137-I139 HydrophobicContact CG-CG1 4.19Å; L137-V195 CarbonylContact C-O 3.57Å; L137-V195 WeakPolarHBondContact CA-O 3.28Å; L137-V195 HydrophobicContact CD1-CB 4.21Å; L137-V195 HydrophobicContact CD1-CG1 3.97Å; L137-A197 HydrophobicContact CD1-CB 4.19Å; L137-L202 HydrophobicContact CD1-CD1 4.33Å; L137-L202 HydrophobicContact CD1-CD2 4.39Å; L137-L202 HydrophobicContact CD2-CD2 3.77Å; L137-M214 HydrophobicContact CB-CE 3.94Å; L137-M214 HydrophobicContact CD1-CE 3.83Å; L137-M214 HydrophobicContact CD2-CE 3.58Å; L137-M214 HydrophobicContact CG-CE 3.98Å; L137-L217 HydrophobicContact CB-CD1 3.51Å; L137-L217 HydrophobicContact CB-CD2 4.11Å; L137-L217 HydrophobicContact CB-CG 4.47Å; L137-L217 HydrophobicContact CD2-CD2 4.26Å; L137-I219 PolarHBondContact N-O 3.41Å; L137-L220 HydrophobicContact CB-CD1 4.12Å; L137-L220 HydrophobicContact CD2-CD1 3.79Å; L137-L220 HydrophobicContact CG-CD1 3.87Å; L137-L220 CarbonylContact O-C 3.57Å; L137-L220 WeakPolarHBondContact O-CA 3.35Å; L137-V221 PolarHBondContact O-N 2.77Å; L137-L240 HydrophobicContact CD2-CD1 4.09Å; L137-L240 HydrophobicContact CD2-CD2 3.78Å
138	I	97.6	Very high	88.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.4	175.6	-57.1	92.9	0	0	0	108.3	Y118 A136 V140 V149 F153 I194 V195 I196 A197 V221	Y118-I138 HydrophobicContact CE2-CG1 4.35Å; Y118-I138 HydrophobicContact CE2-CG2 4.29Å; A136-I138 HydrophobicContact CB-CD1 4.49Å; I138-V140 HydrophobicContact CG2-CG1 4.28Å; I138-V149 HydrophobicContact CG2-CG1 4.29Å; I138-F153 HydrophobicContact CD1-CE1 4.39Å; I138-F153 HydrophobicContact CD1-CE2 4.32Å; I138-F153 HydrophobicContact CD1-CZ 3.94Å; I138-F153 HydrophobicContact CG1-CE2 4.44Å; I138-F153 HydrophobicContact CG1-CZ 4.23Å; I138-I194 HydrophobicContact CD1-CG2 3.3Å; I138-V195 PolarHBondContact N-O 2.81Å; I138-I196 HydrophobicContact CB-CG1 4.13Å; I138-I196 HydrophobicContact CD1-CG1 4.01Å; I138-I196 CarbonylContact O-C 3.59Å; I138-I196 WeakPolarHBondContact O-CA 3.47Å; I138-A197 PolarHBondContact O-N 2.86Å; I138-V221 CarbonylContact C-O 3.57Å; I138-V221 WeakPolarHBondContact CA-O 3.23Å; I138-V221 HydrophobicContact CB-CB 4.32Å; I138-V221 HydrophobicContact CG1-CB 3.96Å; I138-V221 HydrophobicContact CG1-CG2 4.11Å; I138-V221 HydrophobicContact CG2-CB 4.15Å; I138-V221 HydrophobicContact CG2-CG1 4.28Å
139	I	95.7	Very high	89.4	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.2	177.4	-58.6	-64	0	0	0	109.2	L137 A197 P199 L202 L220 V221 D223 V228 W236	L137-I139 HydrophobicContact CD1-CD1 3.89Å; L137-I139 HydrophobicContact CD2-CD1 4Å; L137-I139 HydrophobicContact CD2-CG1 4.41Å; L137-I139 HydrophobicContact CG-CD1 3.89Å; L137-I139 HydrophobicContact CG-CG1 4.19Å; I139-A197 WeakPolarHBondContact CA-O 3.09Å; I139-A197 HydrophobicContact CD1-CB 4.36Å; I139-P199 HydrophobicContact CG2-CG 3.78Å; I139-L202 HydrophobicContact CD1-CD2 3.66Å; I139-L220 HydrophobicContact CG1-CD1 3.87Å; I139-V221 PolarHBondContact N-O 2.74Å; I139-D223 PolarHBondContact O-N 3.45Å; I139-V228 HydrophobicContact CG2-CG1 3.96Å; I139-V228 HydrophobicContact CG2-CG2 4.3Å; I139-W236 HydrophobicContact CB-CH2 4.36Å; I139-W236 HydrophobicContact CD1-CE3 4.46Å; I139-W236 HydrophobicContact CD1-CZ3 4.09Å; I139-W236 HydrophobicContact CG1-CH2 3.95Å; I139-W236 HydrophobicContact CG1-CZ3 3.78Å; I139-W236 HydrophobicContact CG2-CH2 4.05Å; I139-W236 HydrophobicContact CG2-CZ2 4.21Å; I139-W236 HydrophobicContact CG2-CZ3 4.39Å
140	V	93.5	Very high	89.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.177	C	C	.	.			trans	-130.2	143.9	177.2	-68.4	0	0	0	0	110	I138 V142 L145 A146 V149 I196 A197 T198 P199 D223	I138-V140 HydrophobicContact CG2-CG1 4.28Å; V140-V142 VanDerWaalsContact C-N 3.35Å; V140-V142 PolarHBondContact O-N 3.37Å; V140-L145 HydrophobicContact CB-CB 4.44Å; V140-L145 HydrophobicContact CB-CD2 4.15Å; V140-L145 HydrophobicContact CB-CG 4.17Å; V140-L145 HydrophobicContact CG1-CD2 4.13Å; V140-L145 HydrophobicContact CG1-CG 3.99Å; V140-A146 HydrophobicContact CG2-CB 3.52Å; V140-V149 HydrophobicContact CG1-CG2 4.24Å; V140-I196 HydrophobicContact CG2-CG2 4.26Å; V140-A197 PolarHBondContact N-O 2.79Å; V140-T198 HydrophobicContact CG2-CG2 4.4Å; V140-T198 WeakPolarHBondContact O-CA 3.21Å; V140-P199 VanDerWaalsContact O-CD 3.3Å; V140-P199 WeakPolarHBondContact O-CD 3.04Å; V140-D223 HydrophobicContact CG1-CB 4.12Å
141	P	88.8	Confident	90.5	Very high	20 Å²	20	37 Å²	37	13%	0.13	16%	0.164	C	C	.	.	S	Bend	trans	-71.8	-26	-176.1	25.8	-35.4	0	0	0	113.8	L145 D223 E224 R227 V228	P141-L145 HydrophobicContact CG-CD2 4.47Å; P141-D223 VanDerWaalsContact CD-O 3.24Å; P141-D223 WeakPolarHBondContact CD-O 3.39Å; P141-E224 HydrophobicContact CG-CB 3.9Å; P141-R227 HydrophobicContact CB-CB 4.29Å; P141-R227 HydrophobicContact CB-CG 3.84Å; P141-R227 HydrophobicContact CG-CB 4.24Å; P141-R227 HydrophobicContact CG-CG 4.15Å; P141-V228 HydrophobicContact CB-CG2 4.01Å; P141-V228 HydrophobicContact CG-CG2 4.25Å
142	V	86.1	Confident	91.1	Very high	24 Å²	24	32.8 Å²	32.8	15%	0.145	15%	0.147	C	C	.	.	S	Bend	trans	-130.4	143.4	-170.7	-172.2	0	0	0	0	112	V140 D144 L145 A146	V140-V142 VanDerWaalsContact C-N 3.35Å; V140-V142 PolarHBondContact O-N 3.37Å; V142-D144 VanDerWaalsContact C-N 3.35Å; V142-D144 HydrophobicContact CG1-CB 4.46Å; V142-D144 PolarHBondContact O-N 3.38Å; V142-L145 PolarHBondContact O-N 3.49Å; V142-A146 PolarHBondContact O-N 3.25Å
143	R	86	Confident	91.6	Very high	78 Å²	78	26.7 Å²	26.7	29%	0.294	12%	0.123	S	C	.	.	H	α-helix	trans	-54.4	-43.2	176.4	177.2	177.5	168.1	174.9	-1.9	113.8	L145 A146 V147 A168 G169 I170	R143-L145 VanDerWaalsContact C-N 3.34Å; R143-L145 PolarHBondContact O-N 3.4Å; R143-A146 VanDerWaalsContact O-CB 3.29Å; R143-A146 WeakPolarHBondContact O-CB 3.37Å; R143-A146 PolarHBondContact O-N 3.34Å; R143-V147 WeakPolarHBondContact O-CG2 3.24Å; R143-V147 PolarHBondContact O-N 2.88Å; R143-V147 VanDerWaalsContact O-N 3.08Å; R143-A168 HydrophobicContact CB-CB 4.27Å; R143-A168 WeakPolarHBondContact CD-O 3.31Å; R143-A168 HydrophobicContact CG-CB 4.04Å; R143-A168 WeakPolarHBondContact CG-O 3.39Å; R143-G169 PolarHBondContact NH1-O 2.85Å; R143-I170 HydrophobicContact CG-CG1 3.79Å; R143-I170 VanDerWaalsContact CZ-CA 3.48Å; R143-I170 VanDerWaalsContact NH2-CA 3.29Å; R143-I170 PolarHBondContact NH2-O 2.84Å
144	D	83.1	Confident	92	Very high	37 Å²	37	25.8 Å²	25.8	20%	0.198	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-37.5	-179.6	-62.5	-78	0	0	0	112.4	V142 A146 V147 Q148 R443	V142-D144 VanDerWaalsContact C-N 3.35Å; V142-D144 HydrophobicContact CG1-CB 4.46Å; V142-D144 PolarHBondContact O-N 3.38Å; D144-A146 VanDerWaalsContact C-N 3.33Å; D144-V147 PolarHBondContact O-N 2.87Å; D144-Q148 PolarHBondContact O-N 3.24Å; D144-R443 VanDerWaalsContact CG-NH1 3.35Å; D144-R443 VanDerWaalsContact CG-NH2 3.3Å; D144-R443 IonicContact OD1-CZ 3.02Å; D144-R443 IonicContact OD1-NH1 3.31Å; D144-R443 PolarHBondContact OD1-NH1 2.78Å; D144-R443 IonicContact OD1-NH2 3.19Å; D144-R443 PolarHBondContact OD1-NH2 2.95Å; D144-R443 IonicContact OD2-CZ 3.26Å; D144-R443 IonicContact OD2-NH1 3.75Å; D144-R443 PolarHBondContact OD2-NH1 3.09Å; D144-R443 IonicContact OD2-NH2 3.87Å; D144-R443 PolarHBondContact OD2-NH2 3.11Å; D144-R443 VanDerWaalsContact OD2-NH2 3.14Å
145	L	87.9	Confident	92.1	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-39.4	172.6	-175.2	53.6	0	0	0	111	V140 P141 V142 R143 V147 Q148 V149 E224	V140-L145 HydrophobicContact CB-CB 4.44Å; V140-L145 HydrophobicContact CB-CD2 4.15Å; V140-L145 HydrophobicContact CB-CG 4.17Å; V140-L145 HydrophobicContact CG1-CD2 4.13Å; V140-L145 HydrophobicContact CG1-CG 3.99Å; P141-L145 HydrophobicContact CG-CD2 4.47Å; V142-L145 PolarHBondContact O-N 3.49Å; R143-L145 VanDerWaalsContact C-N 3.34Å; R143-L145 PolarHBondContact O-N 3.4Å; L145-V147 VanDerWaalsContact C-N 3.32Å; L145-V147 PolarHBondContact O-N 3.47Å; L145-Q148 WeakPolarHBondContact O-CB 3.25Å; L145-Q148 PolarHBondContact O-N 2.88Å; L145-Q148 VanDerWaalsContact O-N 3.13Å; L145-V149 HydrophobicContact CD1-CG2 4.03Å; L145-V149 HydrophobicContact CG-CG2 4.28Å; L145-V149 WeakPolarHBondContact O-CG2 3.31Å; L145-V149 PolarHBondContact O-N 3.49Å; L145-E224 HydrophobicContact CD2-CG 4.11Å
146	A	91.9	Very high	92.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.4	-45.3	175	0	0	0	0	0	111.9	V140 V142 R143 D144 Q148 V149 Y150 V166 A168 I196	V140-A146 HydrophobicContact CG2-CB 3.52Å; V142-A146 PolarHBondContact O-N 3.25Å; R143-A146 VanDerWaalsContact O-CB 3.29Å; R143-A146 WeakPolarHBondContact O-CB 3.37Å; R143-A146 PolarHBondContact O-N 3.34Å; D144-A146 VanDerWaalsContact C-N 3.33Å; A146-Q148 VanDerWaalsContact C-N 3.32Å; A146-Q148 PolarHBondContact O-N 3.5Å; A146-V149 PolarHBondContact O-N 3.33Å; A146-Y150 WeakPolarHBondContact O-CB 3.48Å; A146-Y150 PolarHBondContact O-N 3.43Å; A146-V166 HydrophobicContact CB-CG1 4.09Å; A146-A168 HydrophobicContact CB-CB 3.64Å; A146-I196 HydrophobicContact CB-CG2 4.06Å
147	V	89.9	Confident	92.1	Very high	39 Å²	39	29.2 Å²	29.2	24%	0.236	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-41.2	176	175.7	0	0	0	0	111.2	R143 D144 L145 Y150 K151 I170	R143-V147 WeakPolarHBondContact O-CG2 3.24Å; R143-V147 PolarHBondContact O-N 2.88Å; R143-V147 VanDerWaalsContact O-N 3.08Å; D144-V147 PolarHBondContact O-N 2.87Å; L145-V147 VanDerWaalsContact C-N 3.32Å; L145-V147 PolarHBondContact O-N 3.47Å; V147-Y150 PolarHBondContact O-N 3.25Å; V147-K151 HydrophobicContact CG1-CD 4.32Å; V147-K151 VanDerWaalsContact O-CG 3.32Å; V147-K151 WeakPolarHBondContact O-CG 3.33Å; V147-K151 PolarHBondContact O-N 2.95Å; V147-I170 HydrophobicContact CG2-CD1 3.41Å; V147-I170 VanDerWaalsContact CG2-CD1 3.41Å; V147-I170 HydrophobicContact CG2-CG1 4.1Å
148	Q	89	Confident	91.9	Very high	44 Å²	44	33.8 Å²	33.8	21%	0.206	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-50.6	178.8	-175.6	-171.7	-25.5	0	0	111.6	D144 L145 A146 Y150 K151 T152 G467 D469	D144-Q148 PolarHBondContact O-N 3.24Å; L145-Q148 WeakPolarHBondContact O-CB 3.25Å; L145-Q148 PolarHBondContact O-N 2.88Å; L145-Q148 VanDerWaalsContact O-N 3.13Å; A146-Q148 VanDerWaalsContact C-N 3.32Å; A146-Q148 PolarHBondContact O-N 3.5Å; Q148-Y150 VanDerWaalsContact C-N 3.26Å; Q148-Y150 PolarHBondContact O-N 3.25Å; Q148-K151 WeakPolarHBondContact O-CB 3.37Å; Q148-K151 PolarHBondContact O-N 2.95Å; Q148-T152 PolarHBondContact O-N 2.95Å; Q148-T152 PolarHBondContact O-OG1 2.87Å; Q148-G467 PolarHBondContact OE1-O 3.03Å; Q148-G467 VanDerWaalsContact OE1-O 3.13Å; Q148-D469 HydrophobicContact CG-CB 4.44Å; Q148-D469 PolarHBondContact NE2-OD2 2.84Å; Q148-D469 VanDerWaalsContact OE1-CB 3.24Å
149	V	94	Very high	91.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.4	-42.3	177.6	176.8	0	0	0	0	109.7	T115 I138 V140 L145 A146 K151 T152 F153 I196	T115-V149 HydrophobicContact CG2-CG1 4.27Å; T115-V149 HydrophobicContact CG2-CG2 4.19Å; I138-V149 HydrophobicContact CG2-CG1 4.29Å; V140-V149 HydrophobicContact CG1-CG2 4.24Å; L145-V149 HydrophobicContact CD1-CG2 4.03Å; L145-V149 HydrophobicContact CG-CG2 4.28Å; L145-V149 WeakPolarHBondContact O-CG2 3.31Å; L145-V149 PolarHBondContact O-N 3.49Å; A146-V149 PolarHBondContact O-N 3.33Å; V149-K151 PolarHBondContact O-N 3.29Å; V149-T152 WeakPolarHBondContact O-CB 3.21Å; V149-T152 PolarHBondContact O-N 3.04Å; V149-T152 VanDerWaalsContact O-N 3.14Å; V149-F153 HydrophobicContact CG1-CD2 3.65Å; V149-F153 HydrophobicContact CG1-CE2 3.62Å; V149-F153 WeakPolarHBondContact O-CD2 3.41Å; V149-F153 PolarHBondContact O-N 3.05Å; V149-I196 HydrophobicContact CB-CD1 4.39Å; V149-I196 HydrophobicContact CB-CG2 4.38Å; V149-I196 HydrophobicContact CG1-CD1 3.85Å; V149-I196 HydrophobicContact CG1-CG1 4.23Å; V149-I196 HydrophobicContact CG1-CG2 4.36Å
150	Y	94.8	Very high	91.2	Very high	89 Å²	89	38.6 Å²	38.6	35%	0.349	21%	0.209	S	C	.	.	H	α-helix	trans	-58	-44.8	175.7	173.5	-109.9	0	0	0	113.3	A146 V147 Q148 T152 F153 S154 V164 V166 I196	A146-Y150 WeakPolarHBondContact O-CB 3.48Å; A146-Y150 PolarHBondContact O-N 3.43Å; V147-Y150 PolarHBondContact O-N 3.25Å; Q148-Y150 VanDerWaalsContact C-N 3.26Å; Q148-Y150 PolarHBondContact O-N 3.25Å; Y150-T152 VanDerWaalsContact C-N 3.33Å; Y150-T152 PolarHBondContact O-N 3.47Å; Y150-F153 PolarHBondContact O-N 3.41Å; Y150-S154 WeakPolarHBondContact CE2-OG 3.25Å; Y150-S154 VanDerWaalsContact O-CB 3.28Å; Y150-S154 WeakPolarHBondContact O-CB 3.28Å; Y150-S154 PolarHBondContact O-N 3.42Å; Y150-S154 PolarHBondContact O-OG 2.9Å; Y150-V164 HydrophobicContact CD2-CB 4.26Å; Y150-V164 HydrophobicContact CD2-CG1 3.77Å; Y150-V164 HydrophobicContact CE2-CB 4.07Å; Y150-V164 HydrophobicContact CE2-CG1 4.08Å; Y150-V164 WeakPolarHBondContact CE2-O 3.34Å; Y150-V166 VanDerWaalsContact CB-CG2 3.42Å; Y150-V166 HydrophobicContact CD1-CG2 3.88Å; Y150-V166 HydrophobicContact CD2-CG2 3.07Å; Y150-V166 HydrophobicContact CE1-CG2 4.4Å; Y150-V166 HydrophobicContact CE2-CG2 3.7Å; Y150-V166 HydrophobicContact CG-CG2 3.15Å; Y150-I196 HydrophobicContact CD2-CD1 4.37Å
151	K	92.9	Very high	91.1	Very high	101 Å²	101	42 Å²	42	44%	0.439	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-44.5	175.4	-74.2	172.3	-179.7	179.3	0	111.2	V147 Q148 V149 S154 Q155	V147-K151 HydrophobicContact CG1-CD 4.32Å; V147-K151 VanDerWaalsContact O-CG 3.32Å; V147-K151 WeakPolarHBondContact O-CG 3.33Å; V147-K151 PolarHBondContact O-N 2.95Å; Q148-K151 WeakPolarHBondContact O-CB 3.37Å; Q148-K151 PolarHBondContact O-N 2.95Å; V149-K151 PolarHBondContact O-N 3.29Å; K151-S154 PolarHBondContact O-N 3.3Å; K151-Q155 VanDerWaalsContact O-CG 3.29Å; K151-Q155 WeakPolarHBondContact O-CG 3.34Å; K151-Q155 PolarHBondContact O-N 2.94Å
152	T	93.8	Very high	91.3	Very high	25 Å²	25	41.1 Å²	41.1	15%	0.153	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-47.8	177.6	-53.3	0	0	0	0	111.8	T115 L116 Q148 V149 Y150 Q155 L156	T115-T152 HydrophobicContact CG2-CG2 4.02Å; L116-T152 HydrophobicContact CD2-CG2 3.66Å; L116-T152 HydrophobicContact CG-CG2 4.37Å; Q148-T152 PolarHBondContact O-N 2.95Å; Q148-T152 PolarHBondContact O-OG1 2.87Å; V149-T152 WeakPolarHBondContact O-CB 3.21Å; V149-T152 PolarHBondContact O-N 3.04Å; V149-T152 VanDerWaalsContact O-N 3.14Å; Y150-T152 VanDerWaalsContact C-N 3.33Å; Y150-T152 PolarHBondContact O-N 3.47Å; T152-Q155 PolarHBondContact O-N 3.45Å; T152-L156 HydrophobicContact CG2-CD1 4.45Å; T152-L156 WeakPolarHBondContact O-CG 3.44Å; T152-L156 PolarHBondContact O-N 3.33Å
153	F	96.1	Very high	91.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-43.2	176.6	-87.6	-94.7	0	0	0	111.7	Y118 A119 I122 I123 I138 V149 Y150 Q155 L156 V157 V164 I194 I196	Y118-F153 HydrophobicContact CD2-CE2 4.35Å; Y118-F153 HydrophobicContact CD2-CZ 4.07Å; Y118-F153 AromaticContact CE2-CE2 3.74Å; Y118-F153 HydrophobicContact CE2-CE2 3.74Å; Y118-F153 AromaticContact CE2-CZ 3.9Å; Y118-F153 HydrophobicContact CE2-CZ 3.9Å; A119-F153 HydrophobicContact CB-CD1 4.42Å; A119-F153 HydrophobicContact CB-CD2 4.18Å; A119-F153 HydrophobicContact CB-CE1 3.92Å; A119-F153 HydrophobicContact CB-CE2 3.65Å; A119-F153 HydrophobicContact CB-CZ 3.52Å; I122-F153 HydrophobicContact CD1-CZ 4.37Å; I122-F153 HydrophobicContact CG2-CE1 4.28Å; I123-F153 HydrophobicContact CD1-CD1 4Å; I123-F153 HydrophobicContact CD1-CE1 4.45Å; I123-F153 HydrophobicContact CG1-CD1 4.18Å; I123-F153 HydrophobicContact CG1-CE1 4.36Å; I138-F153 HydrophobicContact CD1-CE1 4.39Å; I138-F153 HydrophobicContact CD1-CE2 4.32Å; I138-F153 HydrophobicContact CD1-CZ 3.94Å; I138-F153 HydrophobicContact CG1-CE2 4.44Å; I138-F153 HydrophobicContact CG1-CZ 4.23Å; V149-F153 HydrophobicContact CG1-CD2 3.65Å; V149-F153 HydrophobicContact CG1-CE2 3.62Å; V149-F153 WeakPolarHBondContact O-CD2 3.41Å; V149-F153 PolarHBondContact O-N 3.05Å; Y150-F153 PolarHBondContact O-N 3.41Å; F153-Q155 VanDerWaalsContact C-N 3.32Å; F153-Q155 PolarHBondContact O-N 3.13Å; F153-L156 PolarHBondContact O-N 3.19Å; F153-V157 VanDerWaalsContact O-CB 3.29Å; F153-V157 WeakPolarHBondContact O-CB 3.45Å; F153-V157 WeakPolarHBondContact O-CG2 3.4Å; F153-V157 PolarHBondContact O-N 3.33Å; F153-V164 HydrophobicContact CB-CG1 4.1Å; F153-V164 HydrophobicContact CB-CG2 4.18Å; F153-I194 HydrophobicContact CD1-CD1 3.81Å; F153-I194 HydrophobicContact CD1-CG2 4.23Å; F153-I194 HydrophobicContact CE1-CD1 3.96Å; F153-I194 HydrophobicContact CE1-CG2 4.19Å; F153-I196 HydrophobicContact CD2-CD1 4.15Å; F153-I196 HydrophobicContact CG-CD1 4.47Å
154	S	95.1	Very high	92.1	Very high	37 Å²	37	41.3 Å²	41.3	26%	0.259	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-39.6	179.3	-58.2	0	0	0	0	112	Y150 K151 V157 N158	Y150-S154 WeakPolarHBondContact CE2-OG 3.25Å; Y150-S154 VanDerWaalsContact O-CB 3.28Å; Y150-S154 WeakPolarHBondContact O-CB 3.28Å; Y150-S154 PolarHBondContact O-N 3.42Å; Y150-S154 PolarHBondContact O-OG 2.9Å; K151-S154 PolarHBondContact O-N 3.3Å; S154-V157 PolarHBondContact O-N 2.88Å; S154-N158 WeakPolarHBondContact O-CB 3.47Å; S154-N158 PolarHBondContact O-N 2.84Å
155	Q	93.6	Very high	92.7	Very high	100 Å²	100	39.9 Å²	39.9	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-64.4	-38.4	176.5	-75.7	174.2	-31.6	0	0	112.8	R66 I70 K151 T152 F153	R66-Q155 PolarHBondContact NE-O 3.42Å; R66-Q155 PolarHBondContact NH2-O 3.09Å; I70-Q155 HydrophobicContact CD1-CB 3.95Å; I70-Q155 HydrophobicContact CG1-CB 4.45Å; K151-Q155 VanDerWaalsContact O-CG 3.29Å; K151-Q155 WeakPolarHBondContact O-CG 3.34Å; K151-Q155 PolarHBondContact O-N 2.94Å; T152-Q155 PolarHBondContact O-N 3.45Å; F153-Q155 VanDerWaalsContact C-N 3.32Å; F153-Q155 PolarHBondContact O-N 3.13Å
156	L	93.7	Very high	93.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-76.4	-33.5	179.1	-67.4	172.6	0	0	0	112.8	L67 I70 L116 A119 V120 I123 T152 F153	L67-L156 HydrophobicContact CD2-CD2 3.72Å; L67-L156 HydrophobicContact CG-CD2 4.33Å; I70-L156 HydrophobicContact CD1-CD2 3.79Å; I70-L156 HydrophobicContact CD1-CG 4.41Å; L116-L156 HydrophobicContact CD2-CD1 3.83Å; L116-L156 HydrophobicContact CD2-CD2 4.46Å; A119-L156 HydrophobicContact CB-CD1 3.93Å; V120-L156 HydrophobicContact CG2-CD1 4.39Å; I123-L156 HydrophobicContact CD1-CB 3.29Å; I123-L156 HydrophobicContact CD1-CD1 3.68Å; I123-L156 HydrophobicContact CD1-CG 4.14Å; T152-L156 HydrophobicContact CG2-CD1 4.45Å; T152-L156 WeakPolarHBondContact O-CG 3.44Å; T152-L156 PolarHBondContact O-N 3.33Å; F153-L156 PolarHBondContact O-N 3.19Å
157	V	94	Very high	93.2	Very high	11 Å²	11	40.7 Å²	40.7	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-82.9	-21.8	-177.8	161.2	0	0	0	0	112.9	I123 F153 S154 G159 T160 I162 V164	I123-V157 HydrophobicContact CD1-CG2 3.8Å; I123-V157 HydrophobicContact CG1-CG2 3.97Å; I123-V157 HydrophobicContact CG2-CG2 4.28Å; F153-V157 VanDerWaalsContact O-CB 3.29Å; F153-V157 WeakPolarHBondContact O-CB 3.45Å; F153-V157 WeakPolarHBondContact O-CG2 3.4Å; F153-V157 PolarHBondContact O-N 3.33Å; S154-V157 PolarHBondContact O-N 2.88Å; V157-G159 PolarHBondContact O-N 2.8Å; V157-T160 WeakPolarHBondContact CG1-OG1 3.43Å; V157-T160 WeakPolarHBondContact O-CB 3.36Å; V157-T160 PolarHBondContact O-N 3.38Å; V157-T160 PolarHBondContact O-OG1 3.4Å; V157-I162 HydrophobicContact CG1-CB 3.85Å; V157-I162 HydrophobicContact CG1-CG2 4.23Å; V157-I162 WeakPolarHBondContact CG1-O 3.44Å; V157-I162 HydrophobicContact CG2-CB 4.29Å; V157-I162 HydrophobicContact CG2-CG2 4.06Å; V157-V164 HydrophobicContact CG1-CG2 4.45Å; V157-V164 HydrophobicContact CG2-CG2 4.1Å
158	N	92.2	Very high	93.3	Very high	96 Å²	96	39.1 Å²	39.1	51%	0.513	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	122.8	-178.1	-178	35.3	0	0	0	112.1	F62 R66 S154	F62-N158 WeakPolarHBondContact CZ-O 3.19Å; R66-N158 WeakPolarHBondContact CD-O 3.42Å; R66-N158 PolarHBondContact NE-O 3.47Å; R66-N158 VanDerWaalsContact NE-O 3.11Å; R66-N158 PolarHBondContact NH2-ND2 2.89Å; S154-N158 WeakPolarHBondContact O-CB 3.47Å; S154-N158 PolarHBondContact O-N 2.84Å
159	G	88.2	Confident	93.2	Very high	67 Å²	67	38.3 Å²	38.3	69%	0.691	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.8	-3.2	-171.4	0	0	0	0	0	114.7	V157	V157-G159 PolarHBondContact O-N 2.8Å
160	T	91.3	Very high	92.8	Very high	33 Å²	33	41.2 Å²	41.2	20%	0.202	23%	0.234	C	C	.	.	S	Bend	trans	-110.8	168.6	171.8	72.1	0	0	0	0	111.4	F62 L127 V157 I162	F62-T160 HydrophobicContact CD1-CG2 3.97Å; F62-T160 HydrophobicContact CE1-CG2 3.23Å; F62-T160 HydrophobicContact CE2-CG2 4Å; F62-T160 HydrophobicContact CZ-CG2 3.26Å; L127-T160 HydrophobicContact CD2-CG2 3.63Å; V157-T160 WeakPolarHBondContact CG1-OG1 3.43Å; V157-T160 WeakPolarHBondContact O-CB 3.36Å; V157-T160 PolarHBondContact O-N 3.38Å; V157-T160 PolarHBondContact O-OG1 3.4Å; T160-I162 VanDerWaalsContact C-N 3.27Å; T160-I162 PolarHBondContact OG1-N 2.86Å
161	D	91.4	Very high	92.5	Very high	71 Å²	71	41.4 Å²	41.4	38%	0.38	24%	0.237	S	C	.	.	S	Bend	trans	-85.8	2.2	175.1	79	-41.4	0	0	0	113.2	R129	R129-D161 IonicContact CZ-OD1 2.87Å; R129-D161 IonicContact CZ-OD2 2.97Å; R129-D161 IonicContact NH1-OD1 3.91Å; R129-D161 IonicContact NH1-OD2 3.63Å; R129-D161 PolarHBondContact NH1-OD2 3.09Å; R129-D161 PolarHBondContact NH2-O 3.37Å; R129-D161 IonicContact NH2-OD1 3.42Å; R129-D161 IonicContact NH2-OD2 3.21Å; R129-D161 PolarHBondContact NH2-OD2 2.82Å
162	I	93.1	Very high	92.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	24%	0.242	C	C	.	.			trans	-69.8	135.4	178.5	-59.2	169.5	0	0	0	108.6	I123 F126 L127 V157 T160 D193 I194	I123-I162 HydrophobicContact CG2-CD1 4.17Å; F126-I162 HydrophobicContact CB-CD1 3.87Å; L127-I162 HydrophobicContact CD2-CD1 4.18Å; V157-I162 HydrophobicContact CG1-CB 3.85Å; V157-I162 HydrophobicContact CG1-CG2 4.23Å; V157-I162 WeakPolarHBondContact CG1-O 3.44Å; V157-I162 HydrophobicContact CG2-CB 4.29Å; V157-I162 HydrophobicContact CG2-CG2 4.06Å; T160-I162 VanDerWaalsContact C-N 3.27Å; T160-I162 PolarHBondContact OG1-N 2.86Å; I162-D193 HydrophobicContact CG2-CB 4.04Å; I162-I194 HydrophobicContact CG2-CD1 4.12Å; I162-I194 HydrophobicContact CG2-CG1 4.49Å
163	Q	93.3	Very high	92.3	Very high	93 Å²	93	41.5 Å²	41.5	44%	0.435	25%	0.245	S	C	.	.			trans	-115.5	137.6	-179.8	-68	-61.4	-42.4	0	0	111.1	K191 V192 D193 I194	Q163-K191 WeakPolarHBondContact CB-O 3.22Å; Q163-K191 WeakPolarHBondContact CG-O 3.44Å; Q163-V192 HydrophobicContact CB-CG1 4.38Å; Q163-D193 PolarHBondContact N-OD2 3.39Å; Q163-D193 PolarHBondContact O-N 2.89Å; Q163-I194 PolarHBondContact O-N 2.81Å
164	V	95.8	Very high	92.1	Very high	14 Å²	14	44.7 Å²	44.7	9%	0.085	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.1	-178.1	-170.5	0	0	0	0	108.9	Y150 F153 V157 I194 I196	Y150-V164 HydrophobicContact CD2-CB 4.26Å; Y150-V164 HydrophobicContact CD2-CG1 3.77Å; Y150-V164 HydrophobicContact CE2-CB 4.07Å; Y150-V164 HydrophobicContact CE2-CG1 4.08Å; Y150-V164 WeakPolarHBondContact CE2-O 3.34Å; F153-V164 HydrophobicContact CB-CG1 4.1Å; F153-V164 HydrophobicContact CB-CG2 4.18Å; V157-V164 HydrophobicContact CG1-CG2 4.45Å; V157-V164 HydrophobicContact CG2-CG2 4.1Å; V164-I194 CarbonylContact C-O 3.53Å; V164-I194 WeakPolarHBondContact CA-O 3.39Å; V164-I194 HydrophobicContact CG1-CB 4.22Å; V164-I194 HydrophobicContact CG1-CG2 4.2Å; V164-I194 HydrophobicContact CG2-CB 4.32Å; V164-I194 HydrophobicContact CG2-CD1 4.39Å; V164-I196 HydrophobicContact CG1-CD1 3.81Å; V164-I196 HydrophobicContact CG1-CG1 4.46Å
165	G	94.6	Very high	91.9	Very high	7 Å²	7	47.8 Å²	47.8	7%	0.072	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	154.7	176.4	0	0	0	0	0	112.5	I194 I196	G165-I194 PolarHBondContact N-O 2.99Å; G165-I196 PolarHBondContact O-N 2.59Å
166	V	95.7	Very high	91.8	Very high	25 Å²	25	43.2 Å²	43.2	15%	0.152	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.2	175.6	-168.5	0	0	0	0	111.1	A146 Y150 A168 I170 I196	A146-V166 HydrophobicContact CB-CG1 4.09Å; Y150-V166 VanDerWaalsContact CB-CG2 3.42Å; Y150-V166 HydrophobicContact CD1-CG2 3.88Å; Y150-V166 HydrophobicContact CD2-CG2 3.07Å; Y150-V166 HydrophobicContact CE1-CG2 4.4Å; Y150-V166 HydrophobicContact CE2-CG2 3.7Å; Y150-V166 HydrophobicContact CG-CG2 3.15Å; V166-A168 HydrophobicContact CG1-CB 4Å; V166-I170 HydrophobicContact CB-CD1 4.33Å; V166-I170 HydrophobicContact CG1-CD1 3.57Å; V166-I196 CarbonylContact C-O 3.54Å; V166-I196 VanDerWaalsContact CA-O 3.29Å; V166-I196 WeakPolarHBondContact CA-O 3.33Å
167	L	94.9	Very high	91.7	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	76.7	177.9	-66.5	-175.9	0	0	0	110.3	E176 I180 V195 I196 A197 T198 R201 H205 F212	L167-E176 HydrophobicContact CD2-CB 4.02Å; L167-I180 HydrophobicContact CD1-CD1 3.76Å; L167-I180 HydrophobicContact CD2-CD1 3.17Å; L167-I180 HydrophobicContact CD2-CG1 4.49Å; L167-I180 HydrophobicContact CG-CD1 3.51Å; L167-V195 HydrophobicContact CD1-CG1 3.78Å; L167-V195 HydrophobicContact CG-CG1 4.07Å; L167-I196 PolarHBondContact N-O 3.29Å; L167-A197 HydrophobicContact CB-CB 3.76Å; L167-A197 CarbonylContact O-C 3.6Å; L167-A197 VanDerWaalsContact O-CA 3.24Å; L167-A197 WeakPolarHBondContact O-CA 3.27Å; L167-T198 PolarHBondContact O-N 2.64Å; L167-R201 HydrophobicContact CB-CG 4.23Å; L167-R201 WeakPolarHBondContact O-CB 3.42Å; L167-H205 HydrophobicContact CD1-CB 4.04Å; L167-H205 WeakPolarHBondContact CD2-CD2 3.31Å; L167-H205 WeakPolarHBondContact CD2-NE2 3.25Å; L167-F212 HydrophobicContact CD1-CE2 4.11Å; L167-F212 HydrophobicContact CD1-CZ 3.85Å
168	A	90.9	Very high	91.5	Very high	7 Å²	7	50.5 Å²	50.5	6%	0.058	29%	0.288	C	S	.	.	S	Bend	trans	-131.9	15.5	-176.4	0	0	0	0	0	113.3	R143 A146 V166 I170 T198	R143-A168 HydrophobicContact CB-CB 4.27Å; R143-A168 WeakPolarHBondContact CD-O 3.31Å; R143-A168 HydrophobicContact CG-CB 4.04Å; R143-A168 WeakPolarHBondContact CG-O 3.39Å; A146-A168 HydrophobicContact CB-CB 3.64Å; V166-A168 HydrophobicContact CG1-CB 4Å; A168-I170 VanDerWaalsContact C-N 3.29Å; A168-I170 HydrophobicContact CB-CD1 4Å; A168-I170 HydrophobicContact CB-CG1 4.09Å; A168-T198 HydrophobicContact CB-CG2 3.92Å
169	G	88.1	Confident	91.4	Very high	26 Å²	26	49.1 Å²	49.1	27%	0.268	28%	0.281	S	S	.	.	S	Bend	trans	67.3	34	-176	0	0	0	0	0	111.3	R143 E176	R143-G169 PolarHBondContact NH1-O 2.85Å; G169-E176 WeakPolarHBondContact CA-OE1 3.36Å; G169-E176 PolarHBondContact N-OE1 3.2Å
170	I	85.8	Confident	91.5	Very high	61 Å²	61	46 Å²	46	31%	0.313	25%	0.248	S	C	.	.	S	Bend	trans	-79	-44	-178.7	-61.8	156.3	0	0	0	110.4	R143 V147 V166 A168 E176	R143-I170 HydrophobicContact CG-CG1 3.79Å; R143-I170 VanDerWaalsContact CZ-CA 3.48Å; R143-I170 VanDerWaalsContact NH2-CA 3.29Å; R143-I170 PolarHBondContact NH2-O 2.84Å; V147-I170 HydrophobicContact CG2-CD1 3.41Å; V147-I170 VanDerWaalsContact CG2-CD1 3.41Å; V147-I170 HydrophobicContact CG2-CG1 4.1Å; V166-I170 HydrophobicContact CB-CD1 4.33Å; V166-I170 HydrophobicContact CG1-CD1 3.57Å; A168-I170 VanDerWaalsContact C-N 3.29Å; A168-I170 HydrophobicContact CB-CD1 4Å; A168-I170 HydrophobicContact CB-CG1 4.09Å; I170-E176 PolarHBondContact N-OE1 2.86Å
171	K	88.1	Confident	91.4	Very high	93 Å²	93	45 Å²	45	40%	0.404	24%	0.242	S	C	.	.	S	Bend	trans	-105.3	172	176.8	-59.4	172.4	-177	178	0	108.5	K175 E176 D179	K171-K175 HydrophobicContact CB-CB 4.18Å; K171-K175 HydrophobicContact CB-CD 4.21Å; K171-K175 HydrophobicContact CB-CG 4.3Å; K171-K175 HydrophobicContact CD-CD 3.95Å; K171-K175 HydrophobicContact CD-CG 4.01Å; K171-K175 HydrophobicContact CG-CD 4.35Å; K171-E176 HydrophobicContact CB-CG 3.91Å; K171-E176 PolarHBondContact N-OE1 2.88Å; K171-D179 VanDerWaalsContact CD-OD2 3.31Å; K171-D179 WeakPolarHBondContact CD-OD2 3.5Å; K171-D179 IonicContact NZ-OD1 2.79Å; K171-D179 IonicContact NZ-OD2 2.63Å; K171-D179 PolarHBondContact NZ-OD2 2.96Å
172	S	90.6	Very high	91.1	Very high	78 Å²	78	44.8 Å²	44.8	55%	0.545	24%	0.24	S	C	.	.			trans	-58.4	152.2	168.9	56.1	0	0	0	0	109.8	S174 K175 E176	S172-S174 VanDerWaalsContact C-N 3.34Å; S172-S174 PolarHBondContact O-N 3.49Å; S172-K175 PolarHBondContact O-N 3.25Å; S172-K175 VanDerWaalsContact O-N 3.15Å; S172-K175 WeakPolarHBondContact OG-CB 3.29Å; S172-E176 PolarHBondContact O-N 2.87Å
173	F	91.9	Very high	90.5	Very high	50 Å²	50	50 Å²	50	22%	0.219	27%	0.267	C	S	.	.	H	α-helix	trans	-55.3	-48.9	-178.9	-175.1	-112.9	0	0	0	112.3	K175 E176 Q177 D204 H205 N208 T209	F173-K175 VanDerWaalsContact C-N 3.28Å; F173-K175 PolarHBondContact O-N 2.83Å; F173-E176 WeakPolarHBondContact O-CB 3.18Å; F173-E176 PolarHBondContact O-N 2.99Å; F173-Q177 HydrophobicContact CD1-CG 4.33Å; F173-Q177 VanDerWaalsContact CE1-CD 3.44Å; F173-Q177 HydrophobicContact CE1-CG 4.14Å; F173-Q177 HydrophobicContact CZ-CG 4.31Å; F173-Q177 WeakPolarHBondContact O-CG 3.43Å; F173-Q177 PolarHBondContact O-N 2.89Å; F173-D204 HydrophobicContact CE2-CB 4.03Å; F173-H205 AromaticContact CD2-CE1 3.54Å; F173-H205 AromaticContact CD2-NE2 3.51Å; F173-H205 AromaticContact CE2-CD2 3.74Å; F173-H205 AromaticContact CE2-CE1 3.31Å; F173-H205 WeakPolarHBondContact CE2-CE1 3.35Å; F173-H205 AromaticContact CE2-CG 3.79Å; F173-H205 AromaticContact CE2-ND1 3.52Å; F173-H205 AromaticContact CE2-NE2 3.43Å; F173-H205 WeakPolarHBondContact CE2-NE2 3.32Å; F173-N208 HydrophobicContact CE1-CB 3.9Å; F173-N208 HydrophobicContact CZ-CB 3.71Å; F173-T209 WeakPolarHBondContact CZ-OG1 3.47Å
174	S	91.4	Very high	89.4	Confident	68 Å²	68	48 Å²	48	48%	0.476	26%	0.262	S	S	.	.	H	α-helix	trans	-55.5	-41.3	177.8	-46.8	0	0	0	0	112.9	S172 E176 Q177 E178	S172-S174 VanDerWaalsContact C-N 3.34Å; S172-S174 PolarHBondContact O-N 3.49Å; S174-E176 PolarHBondContact O-N 2.99Å; S174-Q177 WeakPolarHBondContact O-CB 3.41Å; S174-Q177 PolarHBondContact O-N 3.09Å; S174-Q177 VanDerWaalsContact O-N 3.16Å; S174-E178 WeakPolarHBondContact O-CG 3.46Å; S174-E178 PolarHBondContact O-N 3.18Å
175	K	91.2	Very high	87.8	Confident	102 Å²	102	55 Å²	55	44%	0.443	30%	0.299	S	S	.	.	H	α-helix	trans	-68.5	-36.6	177.9	-170	170.3	-175.6	167.1	0	112.5	K171 S172 F173 Q177 E178 D179	K171-K175 HydrophobicContact CB-CB 4.18Å; K171-K175 HydrophobicContact CB-CD 4.21Å; K171-K175 HydrophobicContact CB-CG 4.3Å; K171-K175 HydrophobicContact CD-CD 3.95Å; K171-K175 HydrophobicContact CD-CG 4.01Å; K171-K175 HydrophobicContact CG-CD 4.35Å; S172-K175 PolarHBondContact O-N 3.25Å; S172-K175 VanDerWaalsContact O-N 3.15Å; S172-K175 WeakPolarHBondContact OG-CB 3.29Å; F173-K175 VanDerWaalsContact C-N 3.28Å; F173-K175 PolarHBondContact O-N 2.83Å; K175-Q177 VanDerWaalsContact C-N 3.27Å; K175-Q177 PolarHBondContact O-N 2.93Å; K175-E178 PolarHBondContact O-N 2.8Å; K175-D179 WeakPolarHBondContact O-CB 3.25Å; K175-D179 PolarHBondContact O-N 3.31Å
176	E	92.3	Very high	86.5	Confident	3 Å²	3	63.7 Å²	63.7	1%	0.014	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-32.2	173.2	-65.3	179.3	161	0	0	111.3	L167 G169 I170 K171 S172 F173 S174 I180 R201 H205	L167-E176 HydrophobicContact CD2-CB 4.02Å; G169-E176 WeakPolarHBondContact CA-OE1 3.36Å; G169-E176 PolarHBondContact N-OE1 3.2Å; I170-E176 PolarHBondContact N-OE1 2.86Å; K171-E176 HydrophobicContact CB-CG 3.91Å; K171-E176 PolarHBondContact N-OE1 2.88Å; S172-E176 PolarHBondContact O-N 2.87Å; F173-E176 WeakPolarHBondContact O-CB 3.18Å; F173-E176 PolarHBondContact O-N 2.99Å; S174-E176 PolarHBondContact O-N 2.99Å; E176-I180 WeakPolarHBondContact O-CG1 3.44Å; E176-I180 PolarHBondContact O-N 3.27Å; E176-R201 IonicContact OE2-CZ 2.81Å; E176-R201 IonicContact OE2-NE 3.71Å; E176-R201 PolarHBondContact OE2-NE 3.27Å; E176-R201 IonicContact OE2-NH2 3.9Å; E176-R201 PolarHBondContact OE2-NH2 2.76Å; E176-H205 IonicContact OE2-NE2 3.03Å; E176-H205 PolarHBondContact OE2-NE2 2.77Å
177	Q	91.5	Very high	85.5	Confident	39 Å²	39	65.6 Å²	65.6	18%	0.182	35%	0.352	C	S	.	.	H	α-helix	trans	-67.4	-48	173.9	-61.6	179.2	-59.4	0	0	111.6	F173 S174 K175 D179 I180 I181 N208 T209	F173-Q177 HydrophobicContact CD1-CG 4.33Å; F173-Q177 VanDerWaalsContact CE1-CD 3.44Å; F173-Q177 HydrophobicContact CE1-CG 4.14Å; F173-Q177 HydrophobicContact CZ-CG 4.31Å; F173-Q177 WeakPolarHBondContact O-CG 3.43Å; F173-Q177 PolarHBondContact O-N 2.89Å; S174-Q177 WeakPolarHBondContact O-CB 3.41Å; S174-Q177 PolarHBondContact O-N 3.09Å; S174-Q177 VanDerWaalsContact O-N 3.16Å; K175-Q177 VanDerWaalsContact C-N 3.27Å; K175-Q177 PolarHBondContact O-N 2.93Å; Q177-D179 VanDerWaalsContact C-N 3.3Å; Q177-D179 PolarHBondContact O-N 3.36Å; Q177-I180 PolarHBondContact O-N 2.92Å; Q177-I181 PolarHBondContact O-N 3.27Å; Q177-N208 PolarHBondContact NE2-O 3.28Å; Q177-T209 HydrophobicContact CB-CG2 4.05Å; Q177-T209 HydrophobicContact CG-CG2 3.73Å; Q177-T209 PolarHBondContact NE2-OG1 3.4Å; Q177-T209 VanDerWaalsContact NE2-OG1 3.08Å
178	E	90	Very high	84.7	Confident	125 Å²	125	71.3 Å²	71.3	58%	0.584	37%	0.374	S	S	*	.	H	α-helix	trans	-61.9	-35.5	177.4	-70.9	166.8	-161.7	0	0	113	S174 K175 I180 I181 K191	S174-E178 WeakPolarHBondContact O-CG 3.46Å; S174-E178 PolarHBondContact O-N 3.18Å; K175-E178 PolarHBondContact O-N 2.8Å; E178-I180 VanDerWaalsContact C-N 3.3Å; E178-I180 PolarHBondContact O-N 2.91Å; E178-I181 VanDerWaalsContact O-O 3.12Å; E178-K191 PolarHBondContact O-NZ 3.47Å
179	D	89.5	Confident	84.2	Confident	67 Å²	67	73.2 Å²	73.2	36%	0.358	39%	0.387	S	S	.	.	H	α-helix	trans	-67.1	-31.8	177.9	-75.3	-23.3	0	0	0	112	K171 K175 Q177	K171-D179 VanDerWaalsContact CD-OD2 3.31Å; K171-D179 WeakPolarHBondContact CD-OD2 3.5Å; K171-D179 IonicContact NZ-OD1 2.79Å; K171-D179 IonicContact NZ-OD2 2.63Å; K171-D179 PolarHBondContact NZ-OD2 2.96Å; K175-D179 WeakPolarHBondContact O-CB 3.25Å; K175-D179 PolarHBondContact O-N 3.31Å; Q177-D179 VanDerWaalsContact C-N 3.3Å; Q177-D179 PolarHBondContact O-N 3.36Å
180	I	90.1	Very high	84.2	Confident	2 Å²	2	73 Å²	73	1%	0.01	38%	0.381	C	S	.	.	H	α-helix	trans	-97.4	-34.4	-172.8	-69.2	179.7	0	0	0	112.2	L167 E176 Q177 E178 K191 V192 F212	L167-I180 HydrophobicContact CD1-CD1 3.76Å; L167-I180 HydrophobicContact CD2-CD1 3.17Å; L167-I180 HydrophobicContact CD2-CG1 4.49Å; L167-I180 HydrophobicContact CG-CD1 3.51Å; E176-I180 WeakPolarHBondContact O-CG1 3.44Å; E176-I180 PolarHBondContact O-N 3.27Å; Q177-I180 PolarHBondContact O-N 2.92Å; E178-I180 VanDerWaalsContact C-N 3.3Å; E178-I180 PolarHBondContact O-N 2.91Å; I180-K191 WeakPolarHBondContact O-CB 3.32Å; I180-K191 PolarHBondContact O-N 3.37Å; I180-V192 HydrophobicContact CB-CG2 4.4Å; I180-V192 HydrophobicContact CG1-CG2 4.28Å; I180-V192 HydrophobicContact CG2-CG2 3.85Å; I180-F212 HydrophobicContact CD1-CE2 4.37Å; I180-F212 HydrophobicContact CG2-CD2 3.74Å; I180-F212 HydrophobicContact CG2-CE2 3.81Å
181	I	88.8	Confident	84.4	Confident	13 Å²	13	73.7 Å²	73.7	7%	0.067	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.7	-172.1	-55.4	-173	0	0	0	109.4	Q177 E178 Y188 K191 T209 P210 F212	Q177-I181 PolarHBondContact O-N 3.27Å; E178-I181 VanDerWaalsContact O-O 3.12Å; I181-Y188 HydrophobicContact CG2-CD1 3.65Å; I181-Y188 HydrophobicContact CG2-CG 4.33Å; I181-K191 WeakPolarHBondContact O-CE 3.13Å; I181-K191 PolarHBondContact O-NZ 3.08Å; I181-T209 HydrophobicContact CD1-CG2 3.4Å; I181-T209 VanDerWaalsContact CD1-CG2 3.4Å; I181-T209 HydrophobicContact CG1-CG2 4.34Å; I181-P210 WeakPolarHBondContact CD1-O 3.49Å; I181-F212 HydrophobicContact CD1-CB 3.92Å
182	N	85	Confident	84.6	Confident	65 Å²	65	69.6 Å²	69.6	35%	0.348	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.9	165.7	-146.1	15	0	0	0	109.1	T184 S189 K191	N182-T184 HydrophobicContact CB-CG2 4.31Å; N182-T184 WeakPolarHBondContact ND2-CG2 3.4Å; N182-S189 WeakPolarHBondContact CB-OG 3.35Å; N182-S189 PolarHBondContact N-O 2.91Å; N182-S189 PolarHBondContact O-N 3.42Å; N182-S189 PolarHBondContact O-OG 3.24Å; N182-K191 HydrophobicContact CB-CD 4.27Å; N182-K191 HydrophobicContact CB-CG 4.02Å; N182-K191 WeakPolarHBondContact OD1-CE 3.15Å; N182-K191 PolarHBondContact OD1-NZ 3.1Å
183	L	80.6	Confident	84.7	Confident	111 Å²	111	65.9 Å²	65.9	58%	0.581	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	111.3	165.1	-174.3	68.4	0	0	0	107.4	Y188	L183-Y188 HydrophobicContact CD1-CD1 3.92Å; L183-Y188 HydrophobicContact CD1-CE1 3.69Å; L183-Y188 HydrophobicContact CD1-CE2 4.49Å; L183-Y188 HydrophobicContact CD1-CG 4.46Å
184	T	69.7	Low	84.9	Confident	52 Å²	52	63.5 Å²	63.5	32%	0.319	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	121.2	176.9	49.8	0	0	0	0	109.2	N182 E186 S187	N182-T184 HydrophobicContact CB-CG2 4.31Å; N182-T184 WeakPolarHBondContact ND2-CG2 3.4Å; T184-E186 PolarHBondContact O-N 2.74Å; T184-S187 PolarHBondContact N-O 2.94Å; T184-S187 PolarHBondContact O-N 2.63Å; T184-S187 PolarHBondContact O-OG 2.7Å
185	N	62.8	Low	85.2	Confident	162 Å²	162	60.2 Å²	60.2	87%	0.866	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	52.6	177.3	-58.3	-7.6	0	0	0	112.7	S187	N185-S187 PolarHBondContact O-N 3.46Å
186	E	68.1	Low	85.5	Confident	189 Å²	189	55.4 Å²	55.4	88%	0.883	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	1.7	-178.3	-55.6	-177.5	160	0	0	115.7	T184	T184-E186 PolarHBondContact O-N 2.74Å
187	S	73.2	Confident	85.6	Confident	64 Å²	64	55.2 Å²	55.2	45%	0.448	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.5	176	70.8	0	0	0	0	110.9	T184 N185 S189	T184-S187 PolarHBondContact N-O 2.94Å; T184-S187 PolarHBondContact O-N 2.63Å; T184-S187 PolarHBondContact O-OG 2.7Å; N185-S187 PolarHBondContact O-N 3.46Å; S187-S189 PolarHBondContact O-N 2.7Å
188	Y	78	Confident	85.7	Confident	120 Å²	120	54.4 Å²	54.4	47%	0.471	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.1	173.3	-65.2	-78.1	0	0	0	109.7	I181 L183 P210	I181-Y188 HydrophobicContact CG2-CD1 3.65Å; I181-Y188 HydrophobicContact CG2-CG 4.33Å; L183-Y188 HydrophobicContact CD1-CD1 3.92Å; L183-Y188 HydrophobicContact CD1-CE1 3.69Å; L183-Y188 HydrophobicContact CD1-CE2 4.49Å; L183-Y188 HydrophobicContact CD1-CG 4.46Å; Y188-P210 HydrophobicContact CE1-CB 3.96Å; Y188-P210 HydrophobicContact CE1-CG 3.89Å; Y188-P210 HydrophobicContact CE2-CB 4.09Å
189	S	82.3	Confident	85.8	Confident	47 Å²	47	49.3 Å²	49.3	33%	0.329	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.6	172.3	61.5	0	0	0	0	111	N182 S187	N182-S189 WeakPolarHBondContact CB-OG 3.35Å; N182-S189 PolarHBondContact N-O 2.91Å; N182-S189 PolarHBondContact O-N 3.42Å; N182-S189 PolarHBondContact O-OG 3.24Å; S187-S189 PolarHBondContact O-N 2.7Å
190	V	87.6	Confident	85.9	Confident	23 Å²	23	47.1 Å²	47.1	14%	0.139	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.2	-178.3	-176.6	0	0	0	0	109.6	I134 V192	I134-V190 HydrophobicContact CD1-CG1 3.74Å; I134-V190 HydrophobicContact CG1-CG1 3.7Å; V190-V192 HydrophobicContact CG1-CG2 4.06Å; V190-V192 WeakPolarHBondContact CG1-O 3.17Å
191	K	89.3	Confident	86	Confident	75 Å²	75	49 Å²	49	33%	0.326	26%	0.259	S	S	.	.			trans	-80.1	-23.4	-179.2	-67.2	-179.9	179.7	167.9	0	113.3	Q163 E178 I180 I181 N182	Q163-K191 WeakPolarHBondContact CB-O 3.22Å; Q163-K191 WeakPolarHBondContact CG-O 3.44Å; E178-K191 PolarHBondContact O-NZ 3.47Å; I180-K191 WeakPolarHBondContact O-CB 3.32Å; I180-K191 PolarHBondContact O-N 3.37Å; I181-K191 WeakPolarHBondContact O-CE 3.13Å; I181-K191 PolarHBondContact O-NZ 3.08Å; N182-K191 HydrophobicContact CB-CD 4.27Å; N182-K191 HydrophobicContact CB-CG 4.02Å; N182-K191 WeakPolarHBondContact OD1-CE 3.15Å; N182-K191 PolarHBondContact OD1-NZ 3.1Å
192	V	92.8	Very high	86.2	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.036	26%	0.256	C	S	.	.			trans	-111.8	147.1	-169.1	-62.3	0	0	0	0	113.1	F133 I134 Q163 I180 V190 V195	F133-V192 CarbonylContact C-O 3.58Å; I134-V192 HydrophobicContact CD1-CG2 4.29Å; I134-V192 HydrophobicContact CG1-CG2 3.96Å; Q163-V192 HydrophobicContact CB-CG1 4.38Å; I180-V192 HydrophobicContact CB-CG2 4.4Å; I180-V192 HydrophobicContact CG1-CG2 4.28Å; I180-V192 HydrophobicContact CG2-CG2 3.85Å; V190-V192 HydrophobicContact CG1-CG2 4.06Å; V190-V192 WeakPolarHBondContact CG1-O 3.17Å; V192-V195 HydrophobicContact CG2-CG2 3.74Å
193	D	93	Very high	86.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-100.1	-31	175.8	-68.2	-69.8	0	0	0	112.6	R129 R132 F133 I134 R135 A136 I162 Q163	R129-D193 WeakPolarHBondContact CD-OD1 3.3Å; R129-D193 IonicContact CZ-OD1 3.66Å; R129-D193 IonicContact CZ-OD2 3.85Å; R129-D193 VanDerWaalsContact CZ-OD2 3.31Å; R129-D193 IonicContact NE-OD1 2.8Å; R129-D193 PolarHBondContact NE-OD1 2.94Å; R129-D193 IonicContact NE-OD2 3.99Å; R129-D193 PolarHBondContact NE-OD2 3.23Å; R129-D193 IonicContact NH2-OD1 3.68Å; R129-D193 IonicContact NH2-OD2 3.56Å; R129-D193 PolarHBondContact NH2-OD2 2.72Å; R132-D193 WeakPolarHBondContact CA-OD1 3.02Å; F133-D193 PolarHBondContact N-OD1 2.73Å; F133-D193 WeakPolarHBondContact O-CA 3.48Å; I134-D193 WeakPolarHBondContact CA-O 3.44Å; R135-D193 PolarHBondContact N-O 3.4Å; R135-D193 IonicContact NH1-OD1 3.07Å; R135-D193 PolarHBondContact NH1-OD1 2.66Å; A136-D193 PolarHBondContact N-O 2.68Å; I162-D193 HydrophobicContact CG2-CB 4.04Å; Q163-D193 PolarHBondContact N-OD2 3.39Å; Q163-D193 PolarHBondContact O-N 2.89Å
194	I	96.2	Very high	87.1	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.3	-176.3	-57.2	175.6	0	0	0	108.2	I122 I123 F126 A136 I138 F153 I162 Q163 V164 G165	I122-I194 HydrophobicContact CG2-CD1 4.1Å; I123-I194 HydrophobicContact CG1-CD1 4.44Å; F126-I194 HydrophobicContact CD2-CD1 4.11Å; F126-I194 HydrophobicContact CD2-CG1 3.95Å; F126-I194 HydrophobicContact CE2-CD1 4.32Å; F126-I194 HydrophobicContact CE2-CG1 3.83Å; A136-I194 HydrophobicContact CB-CG1 4.3Å; A136-I194 HydrophobicContact CB-CG2 4.31Å; A136-I194 WeakPolarHBondContact O-CA 3.1Å; I138-I194 HydrophobicContact CD1-CG2 3.3Å; F153-I194 HydrophobicContact CD1-CD1 3.81Å; F153-I194 HydrophobicContact CD1-CG2 4.23Å; F153-I194 HydrophobicContact CE1-CD1 3.96Å; F153-I194 HydrophobicContact CE1-CG2 4.19Å; I162-I194 HydrophobicContact CG2-CD1 4.12Å; I162-I194 HydrophobicContact CG2-CG1 4.49Å; Q163-I194 PolarHBondContact O-N 2.81Å; V164-I194 CarbonylContact C-O 3.53Å; V164-I194 WeakPolarHBondContact CA-O 3.39Å; V164-I194 HydrophobicContact CG1-CB 4.22Å; V164-I194 HydrophobicContact CG1-CG2 4.2Å; V164-I194 HydrophobicContact CG2-CB 4.32Å; V164-I194 HydrophobicContact CG2-CD1 4.39Å; G165-I194 PolarHBondContact N-O 2.99Å
195	V	96.6	Very high	88.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.7	176.4	172.8	0	0	0	0	109.5	I134 A136 L137 I138 L167 V192 A197	I134-V195 HydrophobicContact CD1-CG2 3.88Å; I134-V195 HydrophobicContact CG1-CG2 3.79Å; I134-V195 HydrophobicContact CG2-CB 4.33Å; I134-V195 HydrophobicContact CG2-CG2 3.94Å; A136-V195 PolarHBondContact O-N 3.36Å; L137-V195 CarbonylContact C-O 3.57Å; L137-V195 WeakPolarHBondContact CA-O 3.28Å; L137-V195 HydrophobicContact CD1-CB 4.21Å; L137-V195 HydrophobicContact CD1-CG1 3.97Å; I138-V195 PolarHBondContact N-O 2.81Å; L167-V195 HydrophobicContact CD1-CG1 3.78Å; L167-V195 HydrophobicContact CG-CG1 4.07Å; V192-V195 HydrophobicContact CG2-CG2 3.74Å; V195-A197 HydrophobicContact CG1-CB 4.26Å
196	I	97.4	Very high	89.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.6	172.4	-60	159.6	0	0	0	107.4	I138 V140 A146 V149 Y150 F153 V164 G165 V166 L167	I138-I196 HydrophobicContact CB-CG1 4.13Å; I138-I196 HydrophobicContact CD1-CG1 4.01Å; I138-I196 CarbonylContact O-C 3.59Å; I138-I196 WeakPolarHBondContact O-CA 3.47Å; V140-I196 HydrophobicContact CG2-CG2 4.26Å; A146-I196 HydrophobicContact CB-CG2 4.06Å; V149-I196 HydrophobicContact CB-CD1 4.39Å; V149-I196 HydrophobicContact CB-CG2 4.38Å; V149-I196 HydrophobicContact CG1-CD1 3.85Å; V149-I196 HydrophobicContact CG1-CG1 4.23Å; V149-I196 HydrophobicContact CG1-CG2 4.36Å; Y150-I196 HydrophobicContact CD2-CD1 4.37Å; F153-I196 HydrophobicContact CD2-CD1 4.15Å; F153-I196 HydrophobicContact CG-CD1 4.47Å; V164-I196 HydrophobicContact CG1-CD1 3.81Å; V164-I196 HydrophobicContact CG1-CG1 4.46Å; G165-I196 PolarHBondContact O-N 2.59Å; V166-I196 CarbonylContact C-O 3.54Å; V166-I196 VanDerWaalsContact CA-O 3.29Å; V166-I196 WeakPolarHBondContact CA-O 3.33Å; L167-I196 PolarHBondContact N-O 3.29Å
197	A	95.6	Very high	90.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.9	-171	0	0	0	0	0	113.4	L137 I138 I139 V140 L167 V195 L202	L137-A197 HydrophobicContact CD1-CB 4.19Å; I138-A197 PolarHBondContact O-N 2.86Å; I139-A197 WeakPolarHBondContact CA-O 3.09Å; I139-A197 HydrophobicContact CD1-CB 4.36Å; V140-A197 PolarHBondContact N-O 2.79Å; L167-A197 HydrophobicContact CB-CB 3.76Å; L167-A197 CarbonylContact O-C 3.6Å; L167-A197 VanDerWaalsContact O-CA 3.24Å; L167-A197 WeakPolarHBondContact O-CA 3.27Å; V195-A197 HydrophobicContact CG1-CB 4.26Å; A197-L202 HydrophobicContact CB-CB 3.98Å; A197-L202 HydrophobicContact CB-CD1 4.49Å
198	T	93.4	Very high	91.2	Very high	21 Å²	21	34.5 Å²	34.5	13%	0.129	17%	0.17	C	C	.	.			trans	-85.9	145.3	159.5	58.7	0	0	0	0	109.6	V140 L167 A168 G200 R201 L202	V140-T198 HydrophobicContact CG2-CG2 4.4Å; V140-T198 WeakPolarHBondContact O-CA 3.21Å; L167-T198 PolarHBondContact O-N 2.64Å; A168-T198 HydrophobicContact CB-CG2 3.92Å; T198-G200 PolarHBondContact O-N 3.46Å; T198-R201 PolarHBondContact O-N 2.84Å; T198-R201 VanDerWaalsContact O-N 3.17Å; T198-R201 WeakPolarHBondContact OG1-CB 3.33Å; T198-L202 PolarHBondContact O-N 3.4Å
199	P	92.4	Very high	91.7	Very high	18 Å²	18	29.2 Å²	29.2	12%	0.117	15%	0.15	C	C	.	.	H	α-helix	trans	-48.1	-54.1	-175	-33.9	36.4	0	0	0	115.3	I139 V140 R201 L202 V203 V228 W236	I139-P199 HydrophobicContact CG2-CG 3.78Å; V140-P199 VanDerWaalsContact O-CD 3.3Å; V140-P199 WeakPolarHBondContact O-CD 3.04Å; P199-R201 VanDerWaalsContact C-N 3.34Å; P199-R201 PolarHBondContact O-N 3.48Å; P199-L202 WeakPolarHBondContact O-CB 3.05Å; P199-L202 PolarHBondContact O-N 3.4Å; P199-V203 WeakPolarHBondContact O-CG2 3.47Å; P199-V203 PolarHBondContact O-N 3.48Å; P199-V228 HydrophobicContact CG-CG1 4.16Å; P199-W236 HydrophobicContact CB-CB 4.02Å; P199-W236 HydrophobicContact CB-CD2 4.04Å; P199-W236 HydrophobicContact CB-CG 3.58Å; P199-W236 HydrophobicContact CG-CD2 4.47Å; P199-W236 HydrophobicContact CG-CG 4.42Å
200	G	90.7	Very high	91.8	Very high	21 Å²	21	30.1 Å²	30.1	22%	0.216	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-34.4	-176.6	0	0	0	0	0	113.4	T198 V203 D204	T198-G200 PolarHBondContact O-N 3.46Å; G200-V203 PolarHBondContact O-N 2.81Å; G200-D204 PolarHBondContact O-N 3.29Å; G200-D204 VanDerWaalsContact O-N 3.1Å
201	R	92.4	Very high	91.5	Very high	42 Å²	42	30.6 Å²	30.6	16%	0.158	17%	0.165	C	C	.	.	H	α-helix	trans	-71.9	-35.1	177.7	-169.1	52.8	159.7	-168.7	-6.9	112	L167 E176 T198 P199 V203 D204 H205	L167-R201 HydrophobicContact CB-CG 4.23Å; L167-R201 WeakPolarHBondContact O-CB 3.42Å; E176-R201 IonicContact OE2-CZ 2.81Å; E176-R201 IonicContact OE2-NE 3.71Å; E176-R201 PolarHBondContact OE2-NE 3.27Å; E176-R201 IonicContact OE2-NH2 3.9Å; E176-R201 PolarHBondContact OE2-NH2 2.76Å; T198-R201 PolarHBondContact O-N 2.84Å; T198-R201 VanDerWaalsContact O-N 3.17Å; T198-R201 WeakPolarHBondContact OG1-CB 3.33Å; P199-R201 VanDerWaalsContact C-N 3.34Å; P199-R201 PolarHBondContact O-N 3.48Å; R201-V203 VanDerWaalsContact C-N 3.32Å; R201-D204 IonicContact NH1-OD2 2.97Å; R201-D204 PolarHBondContact O-N 3.22Å; R201-H205 PolarHBondContact O-CD2 3.08Å; R201-H205 VanDerWaalsContact O-CD2 3.24Å; R201-H205 PolarHBondContact O-N 2.84Å; R201-H205 VanDerWaalsContact O-N 3.14Å
202	L	93.8	Very high	91.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-47.2	171.1	175.3	65.8	0	0	0	110.8	L137 I139 A197 T198 P199 D204 H205 L206 F212 M214	L137-L202 HydrophobicContact CD1-CD1 4.33Å; L137-L202 HydrophobicContact CD1-CD2 4.39Å; L137-L202 HydrophobicContact CD2-CD2 3.77Å; I139-L202 HydrophobicContact CD1-CD2 3.66Å; A197-L202 HydrophobicContact CB-CB 3.98Å; A197-L202 HydrophobicContact CB-CD1 4.49Å; T198-L202 PolarHBondContact O-N 3.4Å; P199-L202 WeakPolarHBondContact O-CB 3.05Å; P199-L202 PolarHBondContact O-N 3.4Å; L202-D204 VanDerWaalsContact C-N 3.34Å; L202-D204 PolarHBondContact O-N 2.82Å; L202-H205 PolarHBondContact O-N 3.1Å; L202-H205 VanDerWaalsContact O-N 3.13Å; L202-L206 HydrophobicContact CD1-CD1 4.37Å; L202-L206 HydrophobicContact CD1-CG 4.24Å; L202-L206 HydrophobicContact CD2-CD1 4.48Å; L202-L206 HydrophobicContact CG-CD1 3.95Å; L202-L206 HydrophobicContact CG-CG 4.27Å; L202-L206 WeakPolarHBondContact O-CG 3.15Å; L202-L206 PolarHBondContact O-N 3.39Å; L202-F212 HydrophobicContact CD1-CE1 3.96Å; L202-F212 HydrophobicContact CD1-CZ 4.14Å; L202-M214 HydrophobicContact CD1-CE 4.32Å
203	V	92	Very high	91	Very high	9 Å²	9	29.9 Å²	29.9	6%	0.055	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-44.1	178.7	175.3	0	0	0	0	111.2	P199 G200 R201 H205 L206 Y207 W236	P199-V203 WeakPolarHBondContact O-CG2 3.47Å; P199-V203 PolarHBondContact O-N 3.48Å; G200-V203 PolarHBondContact O-N 2.81Å; R201-V203 VanDerWaalsContact C-N 3.32Å; V203-H205 VanDerWaalsContact C-N 3.28Å; V203-H205 PolarHBondContact O-N 3.19Å; V203-L206 PolarHBondContact O-N 2.95Å; V203-Y207 HydrophobicContact CG1-CD2 3.66Å; V203-Y207 HydrophobicContact CG1-CE2 3.54Å; V203-Y207 VanDerWaalsContact O-CD2 3.29Å; V203-Y207 WeakPolarHBondContact O-CD2 3.17Å; V203-Y207 PolarHBondContact O-N 3.14Å; V203-Y207 VanDerWaalsContact O-N 3.14Å; V203-W236 HydrophobicContact CG2-CB 3.56Å
204	D	91.9	Very high	90.6	Very high	55 Å²	55	29.9 Å²	29.9	29%	0.294	17%	0.168	S	C	.	.	H	α-helix	trans	-56.4	-42.1	175	-67.8	-20.7	0	0	0	112.2	F173 G200 R201 L202 N208	F173-D204 HydrophobicContact CE2-CB 4.03Å; G200-D204 PolarHBondContact O-N 3.29Å; G200-D204 VanDerWaalsContact O-N 3.1Å; R201-D204 IonicContact NH1-OD2 2.97Å; R201-D204 PolarHBondContact O-N 3.22Å; L202-D204 VanDerWaalsContact C-N 3.34Å; L202-D204 PolarHBondContact O-N 2.82Å; D204-N208 VanDerWaalsContact O-CB 3.31Å; D204-N208 WeakPolarHBondContact O-CB 3.5Å; D204-N208 PolarHBondContact O-N 2.92Å; D204-N208 PolarHBondContact O-ND2 3.43Å
205	H	91.9	Very high	89.8	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-72.7	-37.9	179	-80.8	-76.2	0	0	0	112.8	L167 F173 E176 R201 L202 V203 Y207 T209 F212	L167-H205 HydrophobicContact CD1-CB 4.04Å; L167-H205 WeakPolarHBondContact CD2-CD2 3.31Å; L167-H205 WeakPolarHBondContact CD2-NE2 3.25Å; F173-H205 AromaticContact CD2-CE1 3.54Å; F173-H205 AromaticContact CD2-NE2 3.51Å; F173-H205 AromaticContact CE2-CD2 3.74Å; F173-H205 AromaticContact CE2-CE1 3.31Å; F173-H205 WeakPolarHBondContact CE2-CE1 3.35Å; F173-H205 AromaticContact CE2-CG 3.79Å; F173-H205 AromaticContact CE2-ND1 3.52Å; F173-H205 AromaticContact CE2-NE2 3.43Å; F173-H205 WeakPolarHBondContact CE2-NE2 3.32Å; E176-H205 IonicContact OE2-NE2 3.03Å; E176-H205 PolarHBondContact OE2-NE2 2.77Å; R201-H205 PolarHBondContact O-CD2 3.08Å; R201-H205 VanDerWaalsContact O-CD2 3.24Å; R201-H205 PolarHBondContact O-N 2.84Å; R201-H205 VanDerWaalsContact O-N 3.14Å; L202-H205 PolarHBondContact O-N 3.1Å; L202-H205 VanDerWaalsContact O-N 3.13Å; V203-H205 VanDerWaalsContact C-N 3.28Å; V203-H205 PolarHBondContact O-N 3.19Å; H205-Y207 VanDerWaalsContact C-N 3.26Å; H205-Y207 PolarHBondContact O-N 3.15Å; H205-T209 WeakPolarHBondContact CA-OG1 3.29Å; H205-T209 PolarHBondContact ND1-OG1 3.11Å; H205-T209 WeakPolarHBondContact O-CB 3.43Å; H205-T209 PolarHBondContact O-N 3.41Å; H205-T209 VanDerWaalsContact O-N 3.08Å; H205-T209 PolarHBondContact O-OG1 3.29Å; H205-F212 HydrophobicContact CB-CD1 4.23Å; H205-F212 HydrophobicContact CB-CE1 4.24Å
206	L	89.8	Confident	89.2	Confident	25 Å²	25	38.8 Å²	38.8	13%	0.131	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-37	174.9	-71.8	170.5	0	0	0	112.1	L202 V203 F212 M214 T239 L240 V243	L202-L206 HydrophobicContact CD1-CD1 4.37Å; L202-L206 HydrophobicContact CD1-CG 4.24Å; L202-L206 HydrophobicContact CD2-CD1 4.48Å; L202-L206 HydrophobicContact CG-CD1 3.95Å; L202-L206 HydrophobicContact CG-CG 4.27Å; L202-L206 WeakPolarHBondContact O-CG 3.15Å; L202-L206 PolarHBondContact O-N 3.39Å; V203-L206 PolarHBondContact O-N 2.95Å; L206-F212 HydrophobicContact CD2-CD1 3.89Å; L206-F212 HydrophobicContact CD2-CE1 3.76Å; L206-F212 HydrophobicContact CG-CD1 4.39Å; L206-F212 HydrophobicContact CG-CE1 4.18Å; L206-M214 HydrophobicContact CD2-CG 4.05Å; L206-T239 HydrophobicContact CD1-CG2 4.36Å; L206-L240 HydrophobicContact CD1-CD1 4.49Å; L206-V243 HydrophobicContact CD2-CG1 4.2Å; L206-V243 HydrophobicContact CD2-CG2 4.44Å
207	Y	88.5	Confident	88.8	Confident	159 Å²	159	38.8 Å²	38.8	62%	0.624	21%	0.205	S	C	*	.	H	α-helix	trans	-90	-41.6	-179.6	-72.8	-61.7	0	0	0	114.5	V203 H205 T239	V203-Y207 HydrophobicContact CG1-CD2 3.66Å; V203-Y207 HydrophobicContact CG1-CE2 3.54Å; V203-Y207 VanDerWaalsContact O-CD2 3.29Å; V203-Y207 WeakPolarHBondContact O-CD2 3.17Å; V203-Y207 PolarHBondContact O-N 3.14Å; V203-Y207 VanDerWaalsContact O-N 3.14Å; H205-Y207 VanDerWaalsContact C-N 3.26Å; H205-Y207 PolarHBondContact O-N 3.15Å; Y207-T239 HydrophobicContact CE2-CG2 3.81Å; Y207-T239 WeakPolarHBondContact OH-CG2 3.27Å
208	N	90.1	Very high	88.4	Confident	102 Å²	102	44.5 Å²	44.5	55%	0.545	23%	0.226	S	C	.	.	H	α-helix	trans	-108	1.2	-166.5	-54.2	-68.4	0	0	0	113.9	F173 Q177 D204	F173-N208 HydrophobicContact CE1-CB 3.9Å; F173-N208 HydrophobicContact CZ-CB 3.71Å; Q177-N208 PolarHBondContact NE2-O 3.28Å; D204-N208 VanDerWaalsContact O-CB 3.31Å; D204-N208 WeakPolarHBondContact O-CB 3.5Å; D204-N208 PolarHBondContact O-N 2.92Å; D204-N208 PolarHBondContact O-ND2 3.43Å
209	T	89.1	Confident	88.4	Confident	9 Å²	9	43.6 Å²	43.6	6%	0.055	22%	0.221	C	C	.	.	S	Bend	trans	-108.2	107.6	178.7	-52.7	0	0	0	0	111.5	F173 Q177 I181 H205 G211 F212	F173-T209 WeakPolarHBondContact CZ-OG1 3.47Å; Q177-T209 HydrophobicContact CB-CG2 4.05Å; Q177-T209 HydrophobicContact CG-CG2 3.73Å; Q177-T209 PolarHBondContact NE2-OG1 3.4Å; Q177-T209 VanDerWaalsContact NE2-OG1 3.08Å; I181-T209 HydrophobicContact CD1-CG2 3.4Å; I181-T209 VanDerWaalsContact CD1-CG2 3.4Å; I181-T209 HydrophobicContact CG1-CG2 4.34Å; H205-T209 WeakPolarHBondContact CA-OG1 3.29Å; H205-T209 PolarHBondContact ND1-OG1 3.11Å; H205-T209 WeakPolarHBondContact O-CB 3.43Å; H205-T209 PolarHBondContact O-N 3.41Å; H205-T209 VanDerWaalsContact O-N 3.08Å; H205-T209 PolarHBondContact O-OG1 3.29Å; T209-G211 PolarHBondContact O-N 3.33Å; T209-F212 HydrophobicContact CG2-CB 3.99Å; T209-F212 WeakPolarHBondContact O-CB 3.36Å; T209-F212 PolarHBondContact O-N 3.41Å
210	P	84.1	Confident	88.5	Confident	67 Å²	67	42.7 Å²	42.7	44%	0.435	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	133.9	-179.5	29.6	-34.8	0	0	0	110.3	I181 Y188 F212	I181-P210 WeakPolarHBondContact CD1-O 3.49Å; Y188-P210 HydrophobicContact CE1-CB 3.96Å; Y188-P210 HydrophobicContact CE1-CG 3.89Å; Y188-P210 HydrophobicContact CE2-CB 4.09Å; P210-F212 VanDerWaalsContact C-N 3.32Å; P210-F212 PolarHBondContact O-N 3.41Å
211	G	81.8	Confident	88.8	Confident	32 Å²	32	41.7 Å²	41.7	33%	0.33	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-1.5	-177.9	0	0	0	0	0	115.7	T209 S213	T209-G211 PolarHBondContact O-N 3.33Å; G211-S213 PolarHBondContact O-N 3.48Å
212	F	86.7	Confident	88.9	Confident	15 Å²	15	39.7 Å²	39.7	7%	0.066	20%	0.197	C	C	.	.			trans	-74.3	86	176.7	-170.8	-107.4	0	0	0	110.8	I134 L167 I180 I181 L202 H205 L206 T209 P210 M214	I134-F212 HydrophobicContact CD1-CD2 4.21Å; I134-F212 HydrophobicContact CD1-CE2 3.69Å; I134-F212 HydrophobicContact CD1-CZ 4.27Å; L167-F212 HydrophobicContact CD1-CE2 4.11Å; L167-F212 HydrophobicContact CD1-CZ 3.85Å; I180-F212 HydrophobicContact CD1-CE2 4.37Å; I180-F212 HydrophobicContact CG2-CD2 3.74Å; I180-F212 HydrophobicContact CG2-CE2 3.81Å; I181-F212 HydrophobicContact CD1-CB 3.92Å; L202-F212 HydrophobicContact CD1-CE1 3.96Å; L202-F212 HydrophobicContact CD1-CZ 4.14Å; H205-F212 HydrophobicContact CB-CD1 4.23Å; H205-F212 HydrophobicContact CB-CE1 4.24Å; L206-F212 HydrophobicContact CD2-CD1 3.89Å; L206-F212 HydrophobicContact CD2-CE1 3.76Å; L206-F212 HydrophobicContact CG-CD1 4.39Å; L206-F212 HydrophobicContact CG-CE1 4.18Å; T209-F212 HydrophobicContact CG2-CB 3.99Å; T209-F212 WeakPolarHBondContact O-CB 3.36Å; T209-F212 PolarHBondContact O-N 3.41Å; P210-F212 VanDerWaalsContact C-N 3.32Å; P210-F212 PolarHBondContact O-N 3.41Å; F212-M214 HydrophobicContact CE1-CG 4.07Å; F212-M214 HydrophobicContact CE1-SD 4.17Å; F212-M214 HydrophobicContact CZ-CE 4.23Å; F212-M214 HydrophobicContact CZ-CG 4.45Å; F212-M214 HydrophobicContact CZ-SD 3.95Å
213	S	83.5	Confident	88.9	Confident	51 Å²	51	40 Å²	40	36%	0.357	20%	0.199	S	C	.	.			trans	-102.3	131.9	-179.7	-179.8	0	0	0	0	112.7	G211 E215	G211-S213 PolarHBondContact O-N 3.48Å; S213-E215 WeakPolarHBondContact OG-CB 3.22Å; S213-E215 PolarHBondContact OG-N 2.99Å
214	M	85.4	Confident	88.7	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.201	C	C	.	.			trans	-106.5	12.2	175.4	-62.7	-63.1	-108	0	0	112.7	I134 L137 L202 L206 F212 R216 L217 L244	I134-M214 HydrophobicContact CB-SD 3.88Å; I134-M214 HydrophobicContact CD1-SD 3.74Å; I134-M214 HydrophobicContact CG1-SD 4.37Å; I134-M214 HydrophobicContact CG2-CE 3.84Å; I134-M214 HydrophobicContact CG2-SD 3.45Å; I134-M214 WeakPolarHBondContact CG2-SD 3.4Å; L137-M214 HydrophobicContact CB-CE 3.94Å; L137-M214 HydrophobicContact CD1-CE 3.83Å; L137-M214 HydrophobicContact CD2-CE 3.58Å; L137-M214 HydrophobicContact CG-CE 3.98Å; L202-M214 HydrophobicContact CD1-CE 4.32Å; L206-M214 HydrophobicContact CD2-CG 4.05Å; F212-M214 HydrophobicContact CE1-CG 4.07Å; F212-M214 HydrophobicContact CE1-SD 4.17Å; F212-M214 HydrophobicContact CZ-CE 4.23Å; F212-M214 HydrophobicContact CZ-CG 4.45Å; F212-M214 HydrophobicContact CZ-SD 3.95Å; M214-R216 PolarHBondContact O-N 2.98Å; M214-R216 VanDerWaalsContact O-N 3.11Å; M214-L217 WeakPolarHBondContact O-CB 3.28Å; M214-L217 PolarHBondContact O-N 3.34Å; M214-L244 HydrophobicContact CB-CD2 3.72Å; M214-L244 WeakPolarHBondContact O-CD2 3.25Å
215	E	79.2	Confident	88.5	Confident	89 Å²	89	38 Å²	38	42%	0.416	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-39.5	-174.9	-171.9	-168.8	157	0	0	112.8	S213 L217 R264	S213-E215 WeakPolarHBondContact OG-CB 3.22Å; S213-E215 PolarHBondContact OG-N 2.99Å; E215-L217 PolarHBondContact O-N 3.44Å; E215-R264 PolarHBondContact O-NH1 3.35Å
216	R	83.8	Confident	88	Confident	97 Å²	97	38.9 Å²	38.9	37%	0.366	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	11.9	-177.1	-58.6	-170.2	-174.4	-159.9	1.7	114.9	F133 I134 M214 R218 I281	F133-R216 HydrophobicContact CB-CB 4.2Å; F133-R216 VanDerWaalsContact CE2-CZ 3.45Å; F133-R216 HydrophobicContact CG-CG 4.49Å; I134-R216 CarbonylContact O-C 3.6Å; M214-R216 PolarHBondContact O-N 2.98Å; M214-R216 VanDerWaalsContact O-N 3.11Å; R216-R218 PolarHBondContact O-N 2.63Å; R216-I281 HydrophobicContact CG-CD1 4.18Å
217	L	88.9	Confident	87.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.			trans	-58.4	125.7	176.7	-175.8	69.3	0	0	0	110.2	I134 L137 M214 E215 I219 L244 R264 L283	I134-L217 HydrophobicContact CG2-CD1 4.35Å; I134-L217 WeakPolarHBondContact O-CA 3.15Å; I134-L217 PolarHBondContact O-N 3.01Å; L137-L217 HydrophobicContact CB-CD1 3.51Å; L137-L217 HydrophobicContact CB-CD2 4.11Å; L137-L217 HydrophobicContact CB-CG 4.47Å; L137-L217 HydrophobicContact CD2-CD2 4.26Å; M214-L217 WeakPolarHBondContact O-CB 3.28Å; M214-L217 PolarHBondContact O-N 3.34Å; E215-L217 PolarHBondContact O-N 3.44Å; L217-I219 WeakPolarHBondContact CD1-O 3.15Å; L217-L244 HydrophobicContact CB-CD2 4.1Å; L217-L244 HydrophobicContact CD2-CD1 3.94Å; L217-L244 HydrophobicContact CD2-CD2 4.17Å; L217-R264 PolarHBondContact O-NH1 2.92Å; L217-R264 PolarHBondContact O-NH2 2.64Å; L217-L283 HydrophobicContact CD2-CD1 3.97Å; L217-L283 HydrophobicContact CG-CD1 3.93Å
218	R	87.9	Confident	87.4	Confident	120 Å²	120	31 Å²	31	45%	0.453	16%	0.16	S	C	.	.			trans	-111.8	-31.6	179.6	-76.4	-172.6	163.3	-165.2	-7.5	113.3	R135 R216 I281 Q284	R135-R218 PolarHBondContact O-N 2.65Å; R216-R218 PolarHBondContact O-N 2.63Å; R218-I281 HydrophobicContact CG-CG2 4.27Å; R218-Q284 PolarHBondContact O-N 3.06Å
219	I	93	Very high	87	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.2	-175.7	-56.7	176.3	0	0	0	108.7	M86 Y90 I122 L125 R135 A136 L137 L217 V221 Q284 I286	M86-I219 HydrophobicContact CE-CD1 4.09Å; Y90-I219 WeakPolarHBondContact OH-CG1 3.24Å; I122-I219 HydrophobicContact CD1-CG2 4.09Å; I122-I219 HydrophobicContact CG1-CD1 3.97Å; I122-I219 HydrophobicContact CG1-CG2 4.29Å; L125-I219 HydrophobicContact CD1-CD1 4.05Å; R135-I219 PolarHBondContact O-N 2.69Å; A136-I219 VanDerWaalsContact CA-O 3.31Å; A136-I219 WeakPolarHBondContact CA-O 3.25Å; A136-I219 HydrophobicContact CB-CB 4.32Å; L137-I219 PolarHBondContact N-O 3.41Å; L217-I219 WeakPolarHBondContact CD1-O 3.15Å; I219-V221 HydrophobicContact CG2-CG2 3.99Å; I219-Q284 WeakPolarHBondContact CA-O 2.97Å; I219-I286 HydrophobicContact CG2-CD1 3.93Å
220	L	95.3	Very high	86.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.8	169.7	173.8	62.8	0	0	0	108.5	L137 I139 I222 Y237 L240 L283 Q284 K285 I286	L137-L220 HydrophobicContact CB-CD1 4.12Å; L137-L220 HydrophobicContact CD2-CD1 3.79Å; L137-L220 HydrophobicContact CG-CD1 3.87Å; L137-L220 CarbonylContact O-C 3.57Å; L137-L220 WeakPolarHBondContact O-CA 3.35Å; I139-L220 HydrophobicContact CG1-CD1 3.87Å; L220-I222 HydrophobicContact CD2-CD1 4.46Å; L220-I222 HydrophobicContact CG-CG1 4.23Å; L220-Y237 HydrophobicContact CD2-CE2 4.03Å; L220-L240 HydrophobicContact CD1-CD2 4.25Å; L220-L240 HydrophobicContact CD2-CD2 4.13Å; L220-L283 HydrophobicContact CB-CD1 4.02Å; L220-L283 HydrophobicContact CB-CD2 4.46Å; L220-L283 HydrophobicContact CB-CG 4.42Å; L220-Q284 PolarHBondContact N-O 2.71Å; L220-K285 HydrophobicContact CD2-CG 4.5Å; L220-K285 CarbonylContact O-C 3.5Å; L220-K285 WeakPolarHBondContact O-CA 3.37Å; L220-I286 PolarHBondContact O-N 3.43Å
221	V	96.6	Very high	85.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.3	172.1	-174.1	0	0	0	0	108.5	Y118 I122 L137 I138 I139 I219 I286 V288	Y118-V221 HydrophobicContact CD1-CG1 4.1Å; Y118-V221 HydrophobicContact CD2-CG1 3.96Å; Y118-V221 HydrophobicContact CD2-CG2 4.08Å; Y118-V221 HydrophobicContact CE1-CG1 4.11Å; Y118-V221 HydrophobicContact CE2-CG1 4.01Å; Y118-V221 HydrophobicContact CG-CG1 4.02Å; Y118-V221 HydrophobicContact CG-CG2 4.45Å; I122-V221 HydrophobicContact CD1-CG2 3.75Å; L137-V221 PolarHBondContact O-N 2.77Å; I138-V221 CarbonylContact C-O 3.57Å; I138-V221 WeakPolarHBondContact CA-O 3.23Å; I138-V221 HydrophobicContact CB-CB 4.32Å; I138-V221 HydrophobicContact CG1-CB 3.96Å; I138-V221 HydrophobicContact CG1-CG2 4.11Å; I138-V221 HydrophobicContact CG2-CB 4.15Å; I138-V221 HydrophobicContact CG2-CG1 4.28Å; I139-V221 PolarHBondContact N-O 2.74Å; I219-V221 HydrophobicContact CG2-CG2 3.99Å; V221-I286 CarbonylContact C-O 3.5Å; V221-I286 VanDerWaalsContact CA-O 3.31Å; V221-I286 WeakPolarHBondContact CA-O 3.37Å; V221-I286 HydrophobicContact CG2-CB 4.25Å; V221-I286 HydrophobicContact CG2-CD1 4.38Å; V221-V288 HydrophobicContact CG1-CG2 4.17Å
222	I	94.5	Very high	85.2	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	100.3	171.5	-51.1	177.9	0	0	0	106.7	L220 A225 V228 W236 I286 L287 V288 F302	L220-I222 HydrophobicContact CD2-CD1 4.46Å; L220-I222 HydrophobicContact CG-CG1 4.23Å; I222-A225 HydrophobicContact CB-CB 4.32Å; I222-A225 HydrophobicContact CG2-CB 3.88Å; I222-V228 HydrophobicContact CG2-CB 3.9Å; I222-V228 HydrophobicContact CG2-CG1 3.96Å; I222-V228 HydrophobicContact CG2-CG2 3.95Å; I222-W236 HydrophobicContact CD1-CH2 4.03Å; I222-W236 HydrophobicContact CG1-CH2 4.39Å; I222-I286 PolarHBondContact N-O 2.75Å; I222-L287 HydrophobicContact CB-CG 4.49Å; I222-L287 HydrophobicContact CD1-CD1 4.24Å; I222-V288 PolarHBondContact O-N 2.94Å; I222-F302 HydrophobicContact CD1-CD1 3.7Å; I222-F302 HydrophobicContact CD1-CD2 4.33Å; I222-F302 HydrophobicContact CD1-CE1 3.48Å; I222-F302 VanDerWaalsContact CD1-CE1 3.48Å; I222-F302 HydrophobicContact CD1-CE2 4.06Å; I222-F302 HydrophobicContact CD1-CG 4.13Å; I222-F302 HydrophobicContact CD1-CZ 3.66Å; I222-F302 HydrophobicContact CG2-CZ 4.45Å
223	D	93.1	Very high	84	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.032	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.1	179.6	-159.3	-2.5	0	0	0	110.4	Y118 I139 V140 P141 A225	Y118-D223 PolarHBondContact OH-OD2 3.42Å; I139-D223 PolarHBondContact O-N 3.45Å; V140-D223 HydrophobicContact CG1-CB 4.12Å; P141-D223 VanDerWaalsContact CD-O 3.24Å; P141-D223 WeakPolarHBondContact CD-O 3.39Å; D223-A225 VanDerWaalsContact C-N 3.33Å
224	E	88.3	Confident	83.2	Confident	22 Å²	22	43.9 Å²	43.9	10%	0.103	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	51.6	-161.7	-60.2	-142.1	-168.2	0	0	112.6	P141 L145 D226 R227 V228 V288	P141-E224 HydrophobicContact CG-CB 3.9Å; L145-E224 HydrophobicContact CD2-CG 4.11Å; E224-D226 VanDerWaalsContact C-N 3.27Å; E224-D226 PolarHBondContact O-N 3.1Å; E224-R227 HydrophobicContact CB-CB 4.41Å; E224-R227 WeakPolarHBondContact O-CA 3.5Å; E224-R227 WeakPolarHBondContact O-CB 3.35Å; E224-R227 PolarHBondContact O-N 2.84Å; E224-V228 PolarHBondContact O-N 3.03Å; E224-V228 VanDerWaalsContact O-N 3.08Å; E224-V288 WeakPolarHBondContact CA-O 3.37Å; E224-V288 PolarHBondContact N-O 3.34Å
225	A	87.8	Confident	83	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-54	-37.9	-174.3	0	0	0	0	0	114.2	I222 D223 R227 V228 I229 L287 V288	I222-A225 HydrophobicContact CB-CB 4.32Å; I222-A225 HydrophobicContact CG2-CB 3.88Å; D223-A225 VanDerWaalsContact C-N 3.33Å; A225-R227 PolarHBondContact O-N 3.42Å; A225-V228 PolarHBondContact O-N 3.12Å; A225-I229 WeakPolarHBondContact O-CD1 3.42Å; A225-I229 VanDerWaalsContact O-CG1 3.22Å; A225-I229 WeakPolarHBondContact O-CG1 3.42Å; A225-I229 PolarHBondContact O-N 3.07Å; A225-L287 HydrophobicContact CB-CB 4.17Å; A225-L287 HydrophobicContact CB-CD2 4.43Å; A225-L287 HydrophobicContact CB-CG 4.12Å; A225-V288 PolarHBondContact N-O 3.47Å
226	D	81.1	Confident	83.5	Confident	20 Å²	20	45 Å²	45	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-35.6	176	57.9	-49.3	0	0	0	112.5	E224 V230 S289 T291 H490	E224-D226 VanDerWaalsContact C-N 3.27Å; E224-D226 PolarHBondContact O-N 3.1Å; D226-V230 VanDerWaalsContact O-CG2 3.25Å; D226-V230 WeakPolarHBondContact O-CG2 3.26Å; D226-V230 PolarHBondContact O-N 3.46Å; D226-S289 WeakPolarHBondContact OD1-CB 3.49Å; D226-S289 PolarHBondContact OD1-OG 3.07Å; D226-T291 PolarHBondContact OD2-OG1 2.96Å; D226-H490 IonicContact OD2-CE1 3.5Å
227	R	80.8	Confident	83.6	Confident	15 Å²	15	40.6 Å²	40.6	6%	0.057	20%	0.195	C	C	.	.	H	α-helix	trans	-80.7	-39.5	177.2	-173.9	174.7	179.9	-172.9	-0.2	112.2	P141 E224 A225 I229 V230 E231	P141-R227 HydrophobicContact CB-CB 4.29Å; P141-R227 HydrophobicContact CB-CG 3.84Å; P141-R227 HydrophobicContact CG-CB 4.24Å; P141-R227 HydrophobicContact CG-CG 4.15Å; E224-R227 HydrophobicContact CB-CB 4.41Å; E224-R227 WeakPolarHBondContact O-CA 3.5Å; E224-R227 WeakPolarHBondContact O-CB 3.35Å; E224-R227 PolarHBondContact O-N 2.84Å; A225-R227 PolarHBondContact O-N 3.42Å; R227-I229 PolarHBondContact O-N 2.96Å; R227-V230 PolarHBondContact O-N 2.87Å; R227-E231 HydrophobicContact CG-CG 4.08Å; R227-E231 IonicContact CZ-OE1 3.61Å; R227-E231 VanDerWaalsContact CZ-OE1 3.27Å; R227-E231 IonicContact CZ-OE2 3.97Å; R227-E231 IonicContact NE-OE1 2.69Å; R227-E231 PolarHBondContact NE-OE1 3.24Å; R227-E231 IonicContact NE-OE2 3.55Å; R227-E231 PolarHBondContact NE-OE2 3.42Å; R227-E231 IonicContact NH2-OE1 3.52Å; R227-E231 PolarHBondContact NH2-OE1 3.35Å; R227-E231 IonicContact NH2-OE2 2.65Å; R227-E231 PolarHBondContact NH2-OE2 3.14Å; R227-E231 WeakPolarHBondContact O-CB 3.46Å; R227-E231 PolarHBondContact O-N 3.31Å
228	V	84.1	Confident	83.4	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.018	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-36.1	177.2	177.1	0	0	0	0	111	I139 P141 P199 I222 E224 A225 E232 W236	I139-V228 HydrophobicContact CG2-CG1 3.96Å; I139-V228 HydrophobicContact CG2-CG2 4.3Å; P141-V228 HydrophobicContact CB-CG2 4.01Å; P141-V228 HydrophobicContact CG-CG2 4.25Å; P199-V228 HydrophobicContact CG-CG1 4.16Å; I222-V228 HydrophobicContact CG2-CB 3.9Å; I222-V228 HydrophobicContact CG2-CG1 3.96Å; I222-V228 HydrophobicContact CG2-CG2 3.95Å; E224-V228 PolarHBondContact O-N 3.03Å; E224-V228 VanDerWaalsContact O-N 3.08Å; A225-V228 PolarHBondContact O-N 3.12Å; V228-E232 PolarHBondContact O-N 2.93Å; V228-W236 HydrophobicContact CG1-CH2 4.5Å; V228-W236 HydrophobicContact CG1-CZ2 3.5Å; V228-W236 VanDerWaalsContact CG1-CZ2 3.5Å
229	I	81.4	Confident	83.4	Confident	21 Å²	21	40.8 Å²	40.8	11%	0.108	20%	0.201	C	C	.	.	H	α-helix	trans	-68.6	-50	173.8	-59.9	157.8	0	0	0	111.2	A225 R227 E231 E232 P298 L299 F302	A225-I229 WeakPolarHBondContact O-CD1 3.42Å; A225-I229 VanDerWaalsContact O-CG1 3.22Å; A225-I229 WeakPolarHBondContact O-CG1 3.42Å; A225-I229 PolarHBondContact O-N 3.07Å; R227-I229 PolarHBondContact O-N 2.96Å; I229-E231 PolarHBondContact O-N 2.93Å; I229-E232 WeakPolarHBondContact O-CB 3.41Å; I229-E232 PolarHBondContact O-N 3.28Å; I229-P298 HydrophobicContact CD1-CB 4.04Å; I229-P298 HydrophobicContact CG2-CB 3.85Å; I229-L299 HydrophobicContact CD1-CD2 4.21Å; I229-F302 HydrophobicContact CD1-CD2 4.41Å; I229-F302 HydrophobicContact CD1-CE2 3.6Å; I229-F302 HydrophobicContact CD1-CZ 4.32Å; I229-F302 HydrophobicContact CG1-CD2 4.4Å; I229-F302 HydrophobicContact CG1-CE2 3.32Å; I229-F302 HydrophobicContact CG1-CZ 3.53Å
230	V	76.5	Confident	83.1	Confident	127 Å²	127	40.7 Å²	40.7	77%	0.77	20%	0.201	S	C	*	.	H	α-helix	trans	-69.2	-35.8	-174.8	172.1	0	0	0	0	112.8	D226 R227 E232	D226-V230 VanDerWaalsContact O-CG2 3.25Å; D226-V230 WeakPolarHBondContact O-CG2 3.26Å; D226-V230 PolarHBondContact O-N 3.46Å; R227-V230 PolarHBondContact O-N 2.87Å; V230-E232 VanDerWaalsContact C-N 3.28Å
231	E	72.5	Confident	82.6	Confident	75 Å²	75	41.6 Å²	41.6	35%	0.35	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	15.2	179.4	-65.1	-178.6	178.3	0	0	112.4	R227 I229 K233 R466	R227-E231 HydrophobicContact CG-CG 4.08Å; R227-E231 IonicContact CZ-OE1 3.61Å; R227-E231 VanDerWaalsContact CZ-OE1 3.27Å; R227-E231 IonicContact CZ-OE2 3.97Å; R227-E231 IonicContact NE-OE1 2.69Å; R227-E231 PolarHBondContact NE-OE1 3.24Å; R227-E231 IonicContact NE-OE2 3.55Å; R227-E231 PolarHBondContact NE-OE2 3.42Å; R227-E231 IonicContact NH2-OE1 3.52Å; R227-E231 PolarHBondContact NH2-OE1 3.35Å; R227-E231 IonicContact NH2-OE2 2.65Å; R227-E231 PolarHBondContact NH2-OE2 3.14Å; R227-E231 WeakPolarHBondContact O-CB 3.46Å; R227-E231 PolarHBondContact O-N 3.31Å; I229-E231 PolarHBondContact O-N 2.93Å; E231-K233 PolarHBondContact O-N 3.42Å; E231-R466 IonicContact OE1-NH1 2.61Å
232	E	68.3	Low	81.9	Confident	49 Å²	49	44 Å²	44	23%	0.229	22%	0.218	C	C	.	.			trans	-57	116.7	-178.4	-169.9	179.9	-164.4	0	0	110.7	V228 I229 V230 Q301	V228-E232 PolarHBondContact O-N 2.93Å; I229-E232 WeakPolarHBondContact O-CB 3.41Å; I229-E232 PolarHBondContact O-N 3.28Å; V230-E232 VanDerWaalsContact C-N 3.28Å; E232-Q301 PolarHBondContact OE1-NE2 2.96Å; E232-Q301 PolarHBondContact OE2-NE2 3.28Å; E232-Q301 PolarHBondContact OE2-OE1 2.58Å
233	K	63.4	Low	81.2	Confident	160 Å²	160	45.9 Å²	45.9	70%	0.696	23%	0.229	S	C	*	.			trans	-118.8	146.6	169.2	-65.6	179.3	-176.8	-176.7	0	107.1	E231 N235	E231-K233 PolarHBondContact O-N 3.42Å; K233-N235 VanDerWaalsContact C-N 3.33Å; K233-N235 PolarHBondContact O-N 2.98Å
234	Q	65.9	Low	80.7	Confident	115 Å²	115	46.1 Å²	46.1	54%	0.537	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	19.1	171.8	-53	168.2	-44.1	0	0	116.2	W236	Q234-W236 PolarHBondContact O-N 3.45Å
235	N	82	Confident	80	Confident	110 Å²	110	46 Å²	46	59%	0.588	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	42.2	176.5	-63.4	-11.5	0	0	0	113	K233 Y237 H238 T239	K233-N235 VanDerWaalsContact C-N 3.33Å; K233-N235 PolarHBondContact O-N 2.98Å; N235-Y237 PolarHBondContact O-N 3.43Å; N235-Y237 VanDerWaalsContact O-N 3.13Å; N235-H238 PolarHBondContact O-N 3.38Å; N235-T239 PolarHBondContact O-N 2.72Å; N235-T239 VanDerWaalsContact O-N 3.08Å; N235-T239 PolarHBondContact O-OG1 3.49Å; N235-T239 VanDerWaalsContact O-OG1 3.11Å
236	W	87.7	Confident	78.9	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-33.9	-170.1	69.6	-86.3	0	0	0	112.3	I139 P199 V203 I222 V228 Q234 T239 L240 F302	I139-W236 HydrophobicContact CB-CH2 4.36Å; I139-W236 HydrophobicContact CD1-CE3 4.46Å; I139-W236 HydrophobicContact CD1-CZ3 4.09Å; I139-W236 HydrophobicContact CG1-CH2 3.95Å; I139-W236 HydrophobicContact CG1-CZ3 3.78Å; I139-W236 HydrophobicContact CG2-CH2 4.05Å; I139-W236 HydrophobicContact CG2-CZ2 4.21Å; I139-W236 HydrophobicContact CG2-CZ3 4.39Å; P199-W236 HydrophobicContact CB-CB 4.02Å; P199-W236 HydrophobicContact CB-CD2 4.04Å; P199-W236 HydrophobicContact CB-CG 3.58Å; P199-W236 HydrophobicContact CG-CD2 4.47Å; P199-W236 HydrophobicContact CG-CG 4.42Å; V203-W236 HydrophobicContact CG2-CB 3.56Å; I222-W236 HydrophobicContact CD1-CH2 4.03Å; I222-W236 HydrophobicContact CG1-CH2 4.39Å; V228-W236 HydrophobicContact CG1-CH2 4.5Å; V228-W236 HydrophobicContact CG1-CZ2 3.5Å; V228-W236 VanDerWaalsContact CG1-CZ2 3.5Å; Q234-W236 PolarHBondContact O-N 3.45Å; W236-T239 PolarHBondContact O-N 2.99Å; W236-L240 HydrophobicContact CZ3-CD2 4.04Å; W236-L240 WeakPolarHBondContact O-CB 3.26Å; W236-L240 PolarHBondContact O-N 3.3Å; W236-F302 HydrophobicContact CH2-CE1 4.26Å; W236-F302 AromaticContact CZ2-CE1 3.88Å; W236-F302 HydrophobicContact CZ2-CE1 3.88Å; W236-F302 HydrophobicContact CZ2-CZ 4.41Å
237	Y	87.3	Confident	77.7	Confident	5 Å²	5	59.3 Å²	59.3	2%	0.02	28%	0.28	C	S	.	.	H	α-helix	trans	-70.8	-43.6	-176.6	-178	-98.7	0	0	0	111.4	L220 N235 T239 L240 E241 K285 Q301 F302	L220-Y237 HydrophobicContact CD2-CE2 4.03Å; N235-Y237 PolarHBondContact O-N 3.43Å; N235-Y237 VanDerWaalsContact O-N 3.13Å; Y237-T239 VanDerWaalsContact C-N 3.33Å; Y237-L240 PolarHBondContact O-N 3.44Å; Y237-E241 HydrophobicContact CD1-CG 4.27Å; Y237-E241 HydrophobicContact CE1-CG 3.64Å; Y237-E241 WeakPolarHBondContact CE1-OE1 2.96Å; Y237-E241 HydrophobicContact CE2-CG 4.4Å; Y237-E241 VanDerWaalsContact CZ-OE1 3.25Å; Y237-E241 PolarHBondContact O-N 2.97Å; Y237-E241 VanDerWaalsContact OH-CD 3.3Å; Y237-E241 PolarHBondContact OH-OE1 2.9Å; Y237-K285 WeakPolarHBondContact OH-CE 3.37Å; Y237-K285 PolarHBondContact OH-NZ 3.25Å; Y237-Q301 VanDerWaalsContact CE1-O 3.31Å; Y237-Q301 WeakPolarHBondContact CE1-O 3.01Å; Y237-F302 HydrophobicContact CD1-CD1 4.24Å; Y237-F302 AromaticContact CD2-CD1 3.63Å; Y237-F302 HydrophobicContact CD2-CD1 3.63Å; Y237-F302 AromaticContact CD2-CE1 3.94Å; Y237-F302 HydrophobicContact CD2-CE1 3.94Å; Y237-F302 HydrophobicContact CE1-CD1 4.34Å; Y237-F302 AromaticContact CE2-CD1 3.72Å; Y237-F302 HydrophobicContact CE2-CD1 3.72Å; Y237-F302 HydrophobicContact CE2-CE1 4.44Å; Y237-F302 AromaticContact CG-CD1 3.91Å; Y237-F302 HydrophobicContact CG-CD1 3.91Å; Y237-F302 HydrophobicContact CG-CE1 4.14Å; Y237-F302 PolarHBondContact OH-O 2.81Å
238	H	85.2	Confident	76.2	Confident	111 Å²	111	61.2 Å²	61.2	51%	0.514	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-43.4	174.5	-168.6	-69.4	0	0	0	110.6	N235 L240 E241 D242	N235-H238 PolarHBondContact O-N 3.38Å; H238-L240 VanDerWaalsContact C-N 3.29Å; H238-L240 PolarHBondContact O-N 3.01Å; H238-E241 PolarHBondContact O-N 3.23Å; H238-D242 VanDerWaalsContact CE1-CG 3.49Å; H238-D242 IonicContact CE1-OD1 3.46Å; H238-D242 PolarHBondContact CE1-OD1 3.29Å; H238-D242 IonicContact CE1-OD2 2.67Å; H238-D242 PolarHBondContact CE1-OD2 3.21Å; H238-D242 IonicContact ND1-OD1 3.45Å; H238-D242 PolarHBondContact ND1-OD1 3.15Å; H238-D242 IonicContact ND1-OD2 3.21Å; H238-D242 PolarHBondContact ND1-OD2 3.16Å; H238-D242 WeakPolarHBondContact O-CB 3.5Å; H238-D242 PolarHBondContact O-N 2.97Å
239	T	86.6	Confident	74	Confident	13 Å²	13	65.7 Å²	65.7	8%	0.08	33%	0.325	C	S	.	.	H	α-helix	trans	-58	-43	175.3	-54.3	0	0	0	0	111.4	L206 Y207 N235 W236 Y237 D242 V243	L206-T239 HydrophobicContact CD1-CG2 4.36Å; Y207-T239 HydrophobicContact CE2-CG2 3.81Å; Y207-T239 WeakPolarHBondContact OH-CG2 3.27Å; N235-T239 PolarHBondContact O-N 2.72Å; N235-T239 VanDerWaalsContact O-N 3.08Å; N235-T239 PolarHBondContact O-OG1 3.49Å; N235-T239 VanDerWaalsContact O-OG1 3.11Å; W236-T239 PolarHBondContact O-N 2.99Å; Y237-T239 VanDerWaalsContact C-N 3.33Å; T239-D242 PolarHBondContact O-N 3.36Å; T239-V243 WeakPolarHBondContact O-CG2 3.42Å; T239-V243 PolarHBondContact O-N 3.26Å; T239-V243 VanDerWaalsContact O-N 3.11Å
240	L	87.6	Confident	72	Confident	1 Å²	1	70 Å²	70	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-47.9	175.3	179.6	66.8	0	0	0	111.4	L137 L206 L220 W236 Y237 H238 D242 V243 L244	L137-L240 HydrophobicContact CD2-CD1 4.09Å; L137-L240 HydrophobicContact CD2-CD2 3.78Å; L206-L240 HydrophobicContact CD1-CD1 4.49Å; L220-L240 HydrophobicContact CD1-CD2 4.25Å; L220-L240 HydrophobicContact CD2-CD2 4.13Å; W236-L240 HydrophobicContact CZ3-CD2 4.04Å; W236-L240 WeakPolarHBondContact O-CB 3.26Å; W236-L240 PolarHBondContact O-N 3.3Å; Y237-L240 PolarHBondContact O-N 3.44Å; H238-L240 VanDerWaalsContact C-N 3.29Å; H238-L240 PolarHBondContact O-N 3.01Å; L240-D242 VanDerWaalsContact C-N 3.26Å; L240-D242 PolarHBondContact O-N 3.3Å; L240-V243 PolarHBondContact O-N 3.4Å; L240-L244 HydrophobicContact CD1-CD1 4.13Å; L240-L244 HydrophobicContact CD1-CD2 4.49Å; L240-L244 HydrophobicContact CD1-CG 4.12Å; L240-L244 HydrophobicContact CD2-CD1 4.48Å; L240-L244 HydrophobicContact CG-CD1 3.9Å; L240-L244 HydrophobicContact CG-CG 4.26Å; L240-L244 WeakPolarHBondContact O-CB 3.21Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 3.47Å
241	E	83.7	Confident	70.1	Confident	18 Å²	18	70.2 Å²	70.2	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-58.5	-39.7	176.6	-77.4	-158.8	151	0	0	111.6	Y237 H238 L244 Y245 K285	Y237-E241 HydrophobicContact CD1-CG 4.27Å; Y237-E241 HydrophobicContact CE1-CG 3.64Å; Y237-E241 WeakPolarHBondContact CE1-OE1 2.96Å; Y237-E241 HydrophobicContact CE2-CG 4.4Å; Y237-E241 VanDerWaalsContact CZ-OE1 3.25Å; Y237-E241 PolarHBondContact O-N 2.97Å; Y237-E241 VanDerWaalsContact OH-CD 3.3Å; Y237-E241 PolarHBondContact OH-OE1 2.9Å; H238-E241 PolarHBondContact O-N 3.23Å; E241-L244 PolarHBondContact O-N 3.45Å; E241-Y245 HydrophobicContact CB-CD2 4.13Å; E241-Y245 HydrophobicContact CB-CE2 4.39Å; E241-Y245 HydrophobicContact CG-CD2 4.42Å; E241-Y245 HydrophobicContact CG-CE2 4.18Å; E241-Y245 WeakPolarHBondContact O-CB 3.33Å; E241-Y245 WeakPolarHBondContact O-CD2 3.32Å; E241-Y245 PolarHBondContact O-N 3.06Å; E241-K285 IonicContact OE1-NZ 2.74Å
242	D	81.5	Confident	68.1	Low	50 Å²	50	73.6 Å²	73.6	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-46.1	178.1	-69	-26.9	0	0	0	111.7	H238 T239 L240 L244 Y246	H238-D242 VanDerWaalsContact CE1-CG 3.49Å; H238-D242 IonicContact CE1-OD1 3.46Å; H238-D242 PolarHBondContact CE1-OD1 3.29Å; H238-D242 IonicContact CE1-OD2 2.67Å; H238-D242 PolarHBondContact CE1-OD2 3.21Å; H238-D242 IonicContact ND1-OD1 3.45Å; H238-D242 PolarHBondContact ND1-OD1 3.15Å; H238-D242 IonicContact ND1-OD2 3.21Å; H238-D242 PolarHBondContact ND1-OD2 3.16Å; H238-D242 WeakPolarHBondContact O-CB 3.5Å; H238-D242 PolarHBondContact O-N 2.97Å; T239-D242 PolarHBondContact O-N 3.36Å; L240-D242 VanDerWaalsContact C-N 3.26Å; L240-D242 PolarHBondContact O-N 3.3Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 PolarHBondContact O-N 2.98Å; D242-Y246 HydrophobicContact CB-CD2 4.09Å; D242-Y246 WeakPolarHBondContact O-CA 3.34Å; D242-Y246 WeakPolarHBondContact O-CB 3.33Å; D242-Y246 PolarHBondContact O-N 2.79Å; D242-Y246 VanDerWaalsContact OD1-CD2 3.28Å; D242-Y246 WeakPolarHBondContact OD1-CD2 3.18Å; D242-Y246 VanDerWaalsContact OD1-CE2 3.25Å; D242-Y246 WeakPolarHBondContact OD1-CE2 3.45Å
243	V	81.6	Confident	66.4	Low	40 Å²	40	80.7 Å²	80.7	24%	0.242	41%	0.413	C	S	.	.	H	α-helix	trans	-63.6	-37.7	175.9	174.3	0	0	0	0	111.5	L206 T239 L240 Y247	L206-V243 HydrophobicContact CD2-CG1 4.2Å; L206-V243 HydrophobicContact CD2-CG2 4.44Å; T239-V243 WeakPolarHBondContact O-CG2 3.42Å; T239-V243 PolarHBondContact O-N 3.26Å; T239-V243 VanDerWaalsContact O-N 3.11Å; L240-V243 PolarHBondContact O-N 3.4Å; V243-Y247 WeakPolarHBondContact O-CB 3.38Å
244	L	81.2	Confident	64.7	Low	11 Å²	11	80 Å²	80	6%	0.058	42%	0.417	C	S	.	.	H	α-helix	trans	-75.6	-32.9	-177.7	-68	-179.9	0	0	0	113.9	M214 L217 L240 E241 D242 R264 L283	M214-L244 HydrophobicContact CB-CD2 3.72Å; M214-L244 WeakPolarHBondContact O-CD2 3.25Å; L217-L244 HydrophobicContact CB-CD2 4.1Å; L217-L244 HydrophobicContact CD2-CD1 3.94Å; L217-L244 HydrophobicContact CD2-CD2 4.17Å; L240-L244 HydrophobicContact CD1-CD1 4.13Å; L240-L244 HydrophobicContact CD1-CD2 4.49Å; L240-L244 HydrophobicContact CD1-CG 4.12Å; L240-L244 HydrophobicContact CD2-CD1 4.48Å; L240-L244 HydrophobicContact CG-CD1 3.9Å; L240-L244 HydrophobicContact CG-CG 4.26Å; L240-L244 WeakPolarHBondContact O-CB 3.21Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 3.47Å; E241-L244 PolarHBondContact O-N 3.45Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 PolarHBondContact O-N 2.98Å; L244-R264 WeakPolarHBondContact O-CD 3.46Å; L244-L283 HydrophobicContact CD1-CD2 4.06Å
245	Y	74.5	Confident	63.1	Low	20 Å²	20	79.3 Å²	79.3	8%	0.078	42%	0.424	C	S	.	.	H	α-helix	trans	-112.5	-25	-171.7	-64.4	-71.6	0	0	0	114.5	E241 R264 S265 R266	E241-Y245 HydrophobicContact CB-CD2 4.13Å; E241-Y245 HydrophobicContact CB-CE2 4.39Å; E241-Y245 HydrophobicContact CG-CD2 4.42Å; E241-Y245 HydrophobicContact CG-CE2 4.18Å; E241-Y245 WeakPolarHBondContact O-CB 3.33Å; E241-Y245 WeakPolarHBondContact O-CD2 3.32Å; E241-Y245 PolarHBondContact O-N 3.06Å; Y245-R264 HydrophobicContact CD1-CB 3.96Å; Y245-R264 HydrophobicContact CD1-CG 3.79Å; Y245-R264 HydrophobicContact CE1-CB 4.26Å; Y245-R264 VanDerWaalsContact CE1-CD 3.44Å; Y245-R264 HydrophobicContact CE1-CG 3.58Å; Y245-S265 VanDerWaalsContact CE1-O 3.29Å; Y245-S265 WeakPolarHBondContact CE1-O 3.4Å; Y245-R266 HydrophobicContact CD1-CG 3.91Å; Y245-R266 HydrophobicContact CD2-CG 4.5Å; Y245-R266 HydrophobicContact CE1-CG 4.24Å; Y245-R266 HydrophobicContact CG-CG 4.08Å
246	Y	64.4	Low	60.5	Low	120 Å²	120	86.9 Å²	86.9	47%	0.471	45%	0.445	S	S	.	.	H	α-helix	trans	-108.1	-8.5	-174.2	-65.5	-59.5	0	0	0	115.4	D242 T248 R266	D242-Y246 HydrophobicContact CB-CD2 4.09Å; D242-Y246 WeakPolarHBondContact O-CA 3.34Å; D242-Y246 WeakPolarHBondContact O-CB 3.33Å; D242-Y246 PolarHBondContact O-N 2.79Å; D242-Y246 VanDerWaalsContact OD1-CD2 3.28Å; D242-Y246 WeakPolarHBondContact OD1-CD2 3.18Å; D242-Y246 VanDerWaalsContact OD1-CE2 3.25Å; D242-Y246 WeakPolarHBondContact OD1-CE2 3.45Å; Y246-T248 PolarHBondContact O-N 2.99Å; Y246-R266 VanDerWaalsContact CZ-CZ 3.47Å; Y246-R266 VanDerWaalsContact OH-CZ 3.23Å; Y246-R266 PolarHBondContact OH-NH1 3.25Å; Y246-R266 PolarHBondContact OH-NH2 3.34Å
247	Y	55.4	Low	57.8	Low	179 Å²	179	91 Å²	91	70%	0.702	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-63.4	-13	-175.2	-163.7	-100.3	0	0	0	114.6	V243 S249	V243-Y247 WeakPolarHBondContact O-CB 3.38Å; Y247-S249 PolarHBondContact O-N 3.01Å
248	T	48.6	Very low	55	Low	55 Å²	55	99.3 Å²	99.3	34%	0.337	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-85.2	9.4	-174.9	53.5	0	0	0	0	116	Y246 V261	Y246-T248 PolarHBondContact O-N 2.99Å; T248-V261 HydrophobicContact CG2-CG1 3.86Å
249	S	39.8	Very low	52.6	Low	98 Å²	98	99.5 Å²	99.5	69%	0.685	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-105.4	-4.3	-169.9	-51.3	0	0	0	0	115.8	Y247	Y247-S249 PolarHBondContact O-N 3.01Å
250	S	38	Very low	50.2	Low	111 Å²	111	103.9 Å²	103.9	78%	0.776	56%	0.559	S	S	*	*			trans	-119.6	8.4	-162.4	-54.8	0	0	0	0	117.1
251	T	37.8	Very low	48.2	Very low	131 Å²	131	108.6 Å²	108.6	80%	0.804	59%	0.587	S	S	*	*	S	Bend	trans	-98.1	110.3	172.8	40	0	0	0	0	112.1
252	N	29.8	Very low	46.4	Very low	147 Å²	147	113.3 Å²	113.3	79%	0.786	60%	0.604	S	S	*	*			trans	-11.4	129.2	168.1	-82	-23.8	0	0	0	118.1	N254	N252-N254 PolarHBondContact O-N 3.06Å
253	Q	31.7	Very low	45	Very low	198 Å²	198	118.4 Å²	118.4	93%	0.925	62%	0.624	S	S	*	*	S	Bend	trans	-64.6	18.4	173.2	-73.1	-167.1	-23.8	0	0	116.4
254	N	29.2	Very low	44	Very low	146 Å²	146	117.9 Å²	117.9	78%	0.781	62%	0.617	S	S	*	*			trans	-122.6	81.3	-176.1	-75	-10	0	0	0	111.3	N252	N252-N254 PolarHBondContact O-N 3.06Å
255	S	32.8	Very low	42.6	Very low	100 Å²	100	118.6 Å²	118.6	70%	0.699	62%	0.623	S	S	*	*			trans	178.8	123.5	145.7	36.8	0	0	0	0	110.3	S257	S255-S257 PolarHBondContact O-N 3.34Å
256	W	26.7	Very low	41.8	Very low	269 Å²	269	122.4 Å²	122.4	100%	1.019	64%	0.637	S	S	*	*			trans	-66.3	92.9	173.2	-67.7	2.3	0	0	0	109.9
257	S	31.6	Very low	41.3	Very low	87 Å²	87	118.3 Å²	118.3	61%	0.608	63%	0.626	S	S	*	*			trans	-146.1	117	158.1	62.9	0	0	0	0	109.2	S255 V259	S255-S257 PolarHBondContact O-N 3.34Å; S257-V259 PolarHBondContact O-N 2.93Å
258	N	27.2	Very low	41.1	Very low	181 Å²	181	113.2 Å²	113.2	97%	0.968	61%	0.61	S	S	*	*			trans	-73.7	66.5	-176.6	-78	-29.2	0	0	0	111.9
259	V	35.2	Very low	41.1	Very low	114 Å²	114	116.2 Å²	116.2	69%	0.691	63%	0.63	S	S	*	*			trans	-104.3	106.8	166.7	-175.4	0	0	0	0	107.8	S257 V261	S257-V259 PolarHBondContact O-N 2.93Å; V259-V261 PolarHBondContact O-N 2.85Å
260	S	37.1	Very low	41.5	Very low	106 Å²	106	115.5 Å²	115.5	74%	0.741	62%	0.622	S	S	*	*			trans	-58.5	103.5	176.9	42.5	0	0	0	0	110.5	R262	S260-R262 PolarHBondContact O-N 2.61Å; S260-R262 VanDerWaalsContact O-N 3.08Å
261	V	44.1	Very low	42.1	Very low	99 Å²	99	115.3 Å²	115.3	60%	0.6	62%	0.616	S	S	*	*			trans	-65.3	108.2	173.9	-178.8	0	0	0	0	108	T248 V259 K263	T248-V261 HydrophobicContact CG2-CG1 3.86Å; V259-V261 PolarHBondContact O-N 2.85Å; V261-K263 PolarHBondContact O-N 3.3Å
262	R	47.3	Very low	42.4	Very low	117 Å²	117	112 Å²	112	44%	0.442	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-64.9	117	-176.2	-69.9	171.9	167	-162	-15	110.3	S260 D280	S260-R262 PolarHBondContact O-N 2.61Å; S260-R262 VanDerWaalsContact O-N 3.08Å; R262-D280 HydrophobicContact CB-CB 4.45Å; R262-D280 VanDerWaalsContact CD-OD2 3.29Å; R262-D280 WeakPolarHBondContact CD-OD2 3.25Å; R262-D280 HydrophobicContact CG-CB 4.02Å; R262-D280 WeakPolarHBondContact CG-OD2 3.44Å; R262-D280 IonicContact CZ-OD1 3.25Å; R262-D280 IonicContact CZ-OD2 3.27Å; R262-D280 VanDerWaalsContact NE-CG 3.32Å; R262-D280 IonicContact NE-OD2 2.89Å; R262-D280 PolarHBondContact NE-OD2 3.29Å; R262-D280 IonicContact NH1-OD2 2.96Å; R262-D280 VanDerWaalsContact NH2-CG 3.33Å; R262-D280 IonicContact NH2-OD1 3.03Å; R262-D280 PolarHBondContact NH2-OD1 3.36Å; R262-D280 IonicContact NH2-OD2 2.74Å; R262-D280 PolarHBondContact NH2-OD2 3.5Å
263	K	50.7	Low	43.3	Very low	157 Å²	157	110.1 Å²	110.1	68%	0.683	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-82.4	129.4	174.3	-74.6	-178.1	178	177.3	0	110.5	V261	V261-K263 PolarHBondContact O-N 3.3Å
264	R	60.6	Low	44.1	Very low	29 Å²	29	103.1 Å²	103.1	11%	0.109	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-82.1	121.1	170.8	-163.3	-175	-172	119.1	14.7	109.2	E215 L217 L244 Y245	E215-R264 PolarHBondContact O-NH1 3.35Å; L217-R264 PolarHBondContact O-NH1 2.92Å; L217-R264 PolarHBondContact O-NH2 2.64Å; L244-R264 WeakPolarHBondContact O-CD 3.46Å; Y245-R264 HydrophobicContact CD1-CB 3.96Å; Y245-R264 HydrophobicContact CD1-CG 3.79Å; Y245-R264 HydrophobicContact CE1-CB 4.26Å; Y245-R264 VanDerWaalsContact CE1-CD 3.44Å; Y245-R264 HydrophobicContact CE1-CG 3.58Å
265	S	52.7	Low	44.9	Very low	26 Å²	26	104 Å²	104	18%	0.182	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-79.2	134.1	176.4	67	0	0	0	0	111.2	Y245 Y273 V279	Y245-S265 VanDerWaalsContact CE1-O 3.29Å; Y245-S265 WeakPolarHBondContact CE1-O 3.4Å; S265-Y273 VanDerWaalsContact CB-CE1 3.49Å; S265-V279 WeakPolarHBondContact OG-CG1 2.89Å
266	R	58.1	Low	45.5	Very low	100 Å²	100	102 Å²	102	38%	0.377	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-62	152.4	167.3	-77.1	-174.6	158.9	156.2	-6.5	110.1	Y245 Y246 I268	Y245-R266 HydrophobicContact CD1-CG 3.91Å; Y245-R266 HydrophobicContact CD2-CG 4.5Å; Y245-R266 HydrophobicContact CE1-CG 4.24Å; Y245-R266 HydrophobicContact CG-CG 4.08Å; Y246-R266 VanDerWaalsContact CZ-CZ 3.47Å; Y246-R266 VanDerWaalsContact OH-CZ 3.23Å; Y246-R266 PolarHBondContact OH-NH1 3.25Å; Y246-R266 PolarHBondContact OH-NH2 3.34Å; R266-I268 VanDerWaalsContact C-N 3.27Å; R266-I268 HydrophobicContact CB-CG1 4.28Å; R266-I268 PolarHBondContact O-N 3.49Å
267	P	53.3	Low	46.3	Very low	34 Å²	34	99.7 Å²	99.7	22%	0.221	52%	0.524	C	S	.	.			trans	-61.1	92.4	164.5	22	-26	0	0	0	109.2	Y305	P267-Y305 HydrophobicContact CB-CD2 4.19Å
268	I	50.7	Low	47	Very low	73 Å²	73	99.1 Å²	99.1	37%	0.374	52%	0.52	S	S	.	.			trans	-101.9	127.7	165.7	-46.5	179.7	0	0	0	106.3	R266 T270 Y273	R266-I268 VanDerWaalsContact C-N 3.27Å; R266-I268 HydrophobicContact CB-CG1 4.28Å; R266-I268 PolarHBondContact O-N 3.49Å; I268-T270 WeakPolarHBondContact CG2-OG1 3.2Å; I268-T270 PolarHBondContact O-N 3.39Å; I268-Y273 HydrophobicContact CD1-CD2 4.44Å; I268-Y273 HydrophobicContact CD1-CE2 4.21Å
269	P	48.9	Very low	48.1	Very low	118 Å²	118	91.8 Å²	91.8	77%	0.766	48%	0.481	S	S	*	.			trans	-73.3	18.2	-176.8	28.4	-34	0	0	0	114.4
270	T	48.1	Very low	49	Very low	83 Å²	83	89.7 Å²	89.7	51%	0.509	47%	0.466	S	S	.	.			trans	-90.7	132.9	-179.5	4.2	0	0	0	0	111.9	I268 G272 Y273	I268-T270 WeakPolarHBondContact CG2-OG1 3.2Å; I268-T270 PolarHBondContact O-N 3.39Å; T270-G272 PolarHBondContact O-N 2.77Å; T270-Y273 PolarHBondContact O-N 3.36Å; T270-Y273 VanDerWaalsContact O-N 3.08Å
271	V	49.8	Very low	50.2	Low	106 Å²	106	85.4 Å²	85.4	64%	0.642	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-50.7	-32.7	-178.4	-177.2	0	0	0	0	113.2	Y273 H274	V271-Y273 VanDerWaalsContact C-N 3.29Å; V271-Y273 PolarHBondContact O-N 2.69Å; V271-H274 PolarHBondContact O-N 3.34Å
272	G	46	Very low	51.7	Low	62 Å²	62	82.9 Å²	82.9	64%	0.639	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-61.8	-29.9	-179.4	0	0	0	0	0	114.7	T270	T270-G272 PolarHBondContact O-N 2.77Å
273	Y	47.8	Very low	53.5	Low	108 Å²	108	77.4 Å²	77.4	42%	0.424	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-84.7	-9.2	179.9	-102.2	-85.3	0	0	0	113.8	S265 I268 T270 V271 Y275	S265-Y273 VanDerWaalsContact CB-CE1 3.49Å; I268-Y273 HydrophobicContact CD1-CD2 4.44Å; I268-Y273 HydrophobicContact CD1-CE2 4.21Å; T270-Y273 PolarHBondContact O-N 3.36Å; T270-Y273 VanDerWaalsContact O-N 3.08Å; V271-Y273 VanDerWaalsContact C-N 3.29Å; V271-Y273 PolarHBondContact O-N 2.69Å; Y273-Y275 PolarHBondContact O-N 2.93Å
274	H	47.7	Very low	55.3	Low	51 Å²	51	70 Å²	70	24%	0.236	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-76.9	-11.4	177.4	-64.6	-23.9	0	0	0	113.4	V271 Y305	V271-H274 PolarHBondContact O-N 3.34Å; H274-Y305 AromaticContact CE1-CE2 3.57Å; H274-Y305 AromaticContact CE1-CZ 3.53Å; H274-Y305 PolarHBondContact CE1-OH 3.21Å; H274-Y305 PolarHBondContact ND1-OH 3.41Å; H274-Y305 PolarHBondContact NE2-OH 3.43Å
275	Y	46.2	Very low	56.9	Low	165 Å²	165	68.6 Å²	68.6	65%	0.647	36%	0.362	S	S	*	.	S	Bend	trans	-124.5	6.1	-176.9	-65.2	-79	0	0	0	113.4	Y273 R277	Y273-Y275 PolarHBondContact O-N 2.93Å; Y275-R277 PolarHBondContact O-N 3.35Å
276	D	45.5	Very low	58.9	Low	58 Å²	58	67.4 Å²	67.4	31%	0.31	35%	0.354	S	S	.	.			trans	-70.3	104.7	179.4	-169.2	-7.2	0	0	0	110.4	S278 V279	D276-S278 PolarHBondContact O-N 3.42Å; D276-S278 VanDerWaalsContact OD1-CB 3.26Å; D276-S278 WeakPolarHBondContact OD1-CB 3.05Å; D276-S278 PolarHBondContact OD1-N 3.29Å; D276-S278 PolarHBondContact OD1-OG 2.91Å; D276-S278 PolarHBondContact OD2-OG 2.81Å; D276-S278 VanDerWaalsContact OD2-OG 3.06Å; D276-V279 HydrophobicContact CB-CG2 4.15Å; D276-V279 PolarHBondContact O-N 2.7Å
277	R	44	Very low	60.5	Low	220 Å²	220	62.7 Å²	62.7	83%	0.83	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.2	178.4	-64	-176.3	-172.1	177.6	3	113.2	L98 Y275 V279	L98-R277 HydrophobicContact CD2-CB 4.22Å; L98-R277 HydrophobicContact CD2-CG 3.94Å; Y275-R277 PolarHBondContact O-N 3.35Å; R277-V279 VanDerWaalsContact C-N 3.29Å
278	S	45.5	Very low	62.4	Low	75 Å²	75	61 Å²	61	52%	0.524	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.5	179.1	73.8	0	0	0	0	113.9	D276	D276-S278 PolarHBondContact O-N 3.42Å; D276-S278 VanDerWaalsContact OD1-CB 3.26Å; D276-S278 WeakPolarHBondContact OD1-CB 3.05Å; D276-S278 PolarHBondContact OD1-N 3.29Å; D276-S278 PolarHBondContact OD1-OG 2.91Å; D276-S278 PolarHBondContact OD2-OG 2.81Å; D276-S278 VanDerWaalsContact OD2-OG 3.06Å
279	V	50.9	Low	64.2	Low	26 Å²	26	57.6 Å²	57.6	16%	0.158	31%	0.307	C	S	.	.			trans	-103.8	103.7	-174.5	-172.8	0	0	0	0	111	S265 D276 R277	S265-V279 WeakPolarHBondContact OG-CG1 2.89Å; D276-V279 HydrophobicContact CB-CG2 4.15Å; D276-V279 PolarHBondContact O-N 2.7Å; R277-V279 VanDerWaalsContact C-N 3.29Å
280	D	54.5	Low	65.8	Low	70 Å²	70	52.4 Å²	52.4	37%	0.374	27%	0.274	S	S	.	.			trans	-84.3	-13.4	-172.5	-88.8	-51.1	0	0	0	115.1	R262	R262-D280 HydrophobicContact CB-CB 4.45Å; R262-D280 VanDerWaalsContact CD-OD2 3.29Å; R262-D280 WeakPolarHBondContact CD-OD2 3.25Å; R262-D280 HydrophobicContact CG-CB 4.02Å; R262-D280 WeakPolarHBondContact CG-OD2 3.44Å; R262-D280 IonicContact CZ-OD1 3.25Å; R262-D280 IonicContact CZ-OD2 3.27Å; R262-D280 VanDerWaalsContact NE-CG 3.32Å; R262-D280 IonicContact NE-OD2 2.89Å; R262-D280 PolarHBondContact NE-OD2 3.29Å; R262-D280 IonicContact NH1-OD2 2.96Å; R262-D280 VanDerWaalsContact NH2-CG 3.33Å; R262-D280 IonicContact NH2-OD1 3.03Å; R262-D280 PolarHBondContact NH2-OD1 3.36Å; R262-D280 IonicContact NH2-OD2 2.74Å; R262-D280 PolarHBondContact NH2-OD2 3.5Å
281	I	62.9	Low	67.1	Low	16 Å²	16	48.6 Å²	48.6	8%	0.082	25%	0.251	C	S	.	.			trans	-143.9	109.3	-168.1	-49.7	175.9	0	0	0	112.1	R216 R218	R216-I281 HydrophobicContact CG-CD1 4.18Å; R218-I281 HydrophobicContact CG-CG2 4.27Å
282	T	73.7	Confident	68.3	Low	47 Å²	47	44.2 Å²	44.2	29%	0.288	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-96.8	146.9	173.2	61.2	0	0	0	0	112	R100	R100-T282 HydrophobicContact CB-CG2 3.88Å; R100-T282 HydrophobicContact CG-CG2 4.23Å
283	L	85.1	Confident	69.4	Low	2 Å²	2	42 Å²	42	1%	0.01	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-94.9	125.4	168	-162.9	55.1	0	0	0	110.8	R100 L217 L220 L244 K285	R100-L283 VanDerWaalsContact CZ-O 3.28Å; R100-L283 PolarHBondContact NE-O 3.4Å; R100-L283 PolarHBondContact NH2-O 2.67Å; R100-L283 VanDerWaalsContact NH2-O 3.15Å; L217-L283 HydrophobicContact CD2-CD1 3.97Å; L217-L283 HydrophobicContact CG-CD1 3.93Å; L220-L283 HydrophobicContact CB-CD1 4.02Å; L220-L283 HydrophobicContact CB-CD2 4.46Å; L220-L283 HydrophobicContact CB-CG 4.42Å; L244-L283 HydrophobicContact CD1-CD2 4.06Å; L283-K285 HydrophobicContact CD2-CG 4.31Å; L283-K285 HydrophobicContact CG-CG 4.33Å
284	Q	89.9	Confident	70.3	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.4	161	-163.1	-176.4	25	0	0	109.2	Y90 P101 R102 R218 I219 L220	Y90-Q284 VanDerWaalsContact CE2-OE1 3.32Å; Y90-Q284 PolarHBondContact OH-OE1 3.3Å; P101-Q284 HydrophobicContact CB-CG 4.29Å; P101-Q284 HydrophobicContact CG-CB 3.87Å; P101-Q284 HydrophobicContact CG-CG 3.92Å; R102-Q284 PolarHBondContact O-NE2 3.14Å; R218-Q284 PolarHBondContact O-N 3.06Å; I219-Q284 WeakPolarHBondContact CA-O 2.97Å; L220-Q284 PolarHBondContact N-O 2.71Å
285	K	92.7	Very high	71.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.1	174.7	-56.2	171	-172.3	171	0	109.4	D103 I104 L220 Y237 E241 L283 L287 F302 N303 L304	D103-K285 CarbonylContact C-O 3.57Å; D103-K285 VanDerWaalsContact CA-O 3.25Å; D103-K285 WeakPolarHBondContact CA-O 2.96Å; D103-K285 HydrophobicContact CB-CB 4.28Å; D103-K285 WeakPolarHBondContact CB-O 3.38Å; D103-K285 PolarHBondContact OD1-N 2.7Å; I104-K285 PolarHBondContact N-O 3.31Å; L220-K285 HydrophobicContact CD2-CG 4.5Å; L220-K285 CarbonylContact O-C 3.5Å; L220-K285 WeakPolarHBondContact O-CA 3.37Å; Y237-K285 WeakPolarHBondContact OH-CE 3.37Å; Y237-K285 PolarHBondContact OH-NZ 3.25Å; E241-K285 IonicContact OE1-NZ 2.74Å; L283-K285 HydrophobicContact CD2-CG 4.31Å; L283-K285 HydrophobicContact CG-CG 4.33Å; K285-L287 HydrophobicContact CB-CD1 4.27Å; K285-F302 WeakPolarHBondContact CD-O 3.49Å; K285-F302 PolarHBondContact NZ-O 3.22Å; K285-N303 PolarHBondContact NZ-O 3.27Å; K285-L304 HydrophobicContact CB-CD2 4.08Å; K285-L304 HydrophobicContact CD-CD2 4.03Å
286	I	94.8	Very high	72.2	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	109.9	178.8	-55.3	177.9	0	0	0	108	M86 I104 I106 I219 L220 V221 I222 V288	M86-I286 HydrophobicContact CE-CD1 4.18Å; M86-I286 HydrophobicContact SD-CD1 3.82Å; I104-I286 HydrophobicContact CB-CG1 4.37Å; I104-I286 HydrophobicContact CB-CG2 4.33Å; I104-I286 CarbonylContact O-C 3.56Å; I104-I286 VanDerWaalsContact O-CA 3.26Å; I104-I286 WeakPolarHBondContact O-CA 3.06Å; I106-I286 HydrophobicContact CD1-CG2 4.23Å; I219-I286 HydrophobicContact CG2-CD1 3.93Å; L220-I286 PolarHBondContact O-N 3.43Å; V221-I286 CarbonylContact C-O 3.5Å; V221-I286 VanDerWaalsContact CA-O 3.31Å; V221-I286 WeakPolarHBondContact CA-O 3.37Å; V221-I286 HydrophobicContact CG2-CB 4.25Å; V221-I286 HydrophobicContact CG2-CD1 4.38Å; I222-I286 PolarHBondContact N-O 2.75Å; I286-V288 HydrophobicContact CG2-CG2 3.96Å
287	L	93.5	Very high	73.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.3	178	-82.7	63	0	0	0	109	I104 C105 I106 I222 A225 K285 L299 F302 L304	I104-L287 PolarHBondContact O-N 3.39Å; C105-L287 CarbonylContact C-O 3.53Å; C105-L287 WeakPolarHBondContact CA-O 3.21Å; I106-L287 PolarHBondContact N-O 3.4Å; I222-L287 HydrophobicContact CB-CG 4.49Å; I222-L287 HydrophobicContact CD1-CD1 4.24Å; A225-L287 HydrophobicContact CB-CB 4.17Å; A225-L287 HydrophobicContact CB-CD2 4.43Å; A225-L287 HydrophobicContact CB-CG 4.12Å; K285-L287 HydrophobicContact CB-CD1 4.27Å; L287-L299 HydrophobicContact CD2-CD2 3.74Å; L287-F302 HydrophobicContact CD2-CD2 3.72Å; L287-F302 HydrophobicContact CD2-CE2 4.16Å; L287-F302 HydrophobicContact CG-CD2 4.44Å; L287-L304 HydrophobicContact CD1-CD2 3.64Å; L287-L304 HydrophobicContact CD2-CD1 4.08Å; L287-L304 HydrophobicContact CD2-CD2 4.26Å
288	V	92.7	Very high	74.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.4	-176.8	-173.1	0	0	0	0	108.4	I106 K114 Y118 V221 I222 E224 A225 I286	I106-V288 HydrophobicContact CB-CG1 4.45Å; I106-V288 HydrophobicContact CB-CG2 4.48Å; I106-V288 HydrophobicContact CD1-CG2 4.12Å; K114-V288 HydrophobicContact CB-CG1 3.77Å; K114-V288 HydrophobicContact CD-CG1 3.62Å; K114-V288 HydrophobicContact CG-CG1 4.26Å; Y118-V288 HydrophobicContact CD1-CG2 3.88Å; Y118-V288 HydrophobicContact CE1-CG2 4.15Å; V221-V288 HydrophobicContact CG1-CG2 4.17Å; I222-V288 PolarHBondContact O-N 2.94Å; E224-V288 WeakPolarHBondContact CA-O 3.37Å; E224-V288 PolarHBondContact N-O 3.34Å; A225-V288 PolarHBondContact N-O 3.47Å; I286-V288 HydrophobicContact CG2-CG2 3.96Å
289	S	88	Confident	76.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.1	176.5	-178.4	0	0	0	0	111.4	I106 C107 A108 D226 T291 L292	I106-S289 PolarHBondContact O-N 3.14Å; I106-S289 VanDerWaalsContact O-O 3.08Å; C107-S289 WeakPolarHBondContact CA-O 3.12Å; A108-S289 PolarHBondContact N-O 3.41Å; D226-S289 WeakPolarHBondContact OD1-CB 3.49Å; D226-S289 PolarHBondContact OD1-OG 3.07Å; S289-T291 PolarHBondContact OG-N 3.33Å; S289-L292 PolarHBondContact OG-N 3.4Å
290	A	82.3	Confident	77.6	Confident	9 Å²	9	33.9 Å²	33.9	7%	0.074	18%	0.175	C	C	.	.	S	Bend	trans	-86.6	-27.8	170.3	0	0	0	0	0	113.1	A108 T110	A108-A290 VanDerWaalsContact O-CA 3.3Å; A108-A290 WeakPolarHBondContact O-CA 3.41Å; T110-A290 HydrophobicContact CG2-CB 3.66Å
291	T	76.6	Confident	78.7	Confident	4 Å²	4	34 Å²	34	3%	0.025	17%	0.173	C	C	.	.	S	Bend	trans	-136	52.6	-174.7	59.5	0	0	0	0	110.2	D226 S289 T293 F372 I489 H490	D226-T291 PolarHBondContact OD2-OG1 2.96Å; S289-T291 PolarHBondContact OG-N 3.33Å; T291-T293 PolarHBondContact O-N 3.17Å; T291-F372 HydrophobicContact CG2-CD1 3.58Å; T291-F372 HydrophobicContact CG2-CE1 3.98Å; T291-I489 HydrophobicContact CG2-CB 4.26Å; T291-I489 HydrophobicContact CG2-CG2 3.86Å; T291-H490 PolarHBondContact OG1-CE1 2.86Å; T291-H490 PolarHBondContact OG1-NE2 2.85Å
292	L	74.1	Confident	79.6	Confident	13 Å²	13	33.3 Å²	33.3	7%	0.068	17%	0.169	C	C	.	.			trans	-49.6	127.5	-177.5	-168.4	69.9	0	0	0	109.5	C105 C107 S289 L299 L309	C105-L292 HydrophobicContact CB-CD2 4.06Å; C107-L292 HydrophobicContact CB-CB 4.2Å; S289-L292 PolarHBondContact OG-N 3.4Å; L292-L299 HydrophobicContact CD1-CD2 3.93Å; L292-L299 HydrophobicContact CG-CD1 4.47Å; L292-L309 HydrophobicContact CD2-CD1 3.7Å
293	T	69.9	Low	79.9	Confident	17 Å²	17	34.9 Å²	34.9	10%	0.104	18%	0.176	C	C	.	.			trans	-64.4	138.2	-176	172.7	0	0	0	0	110.9	T291 D295 P298 L299	T291-T293 PolarHBondContact O-N 3.17Å; T293-D295 VanDerWaalsContact C-N 3.29Å; T293-D295 WeakPolarHBondContact OG1-CB 3.22Å; T293-D295 PolarHBondContact OG1-N 3.13Å; T293-D295 VanDerWaalsContact OG1-N 3.16Å; T293-D295 PolarHBondContact OG1-O 3Å; T293-P298 HydrophobicContact CG2-CB 4.19Å; T293-P298 HydrophobicContact CG2-CG 4.35Å; T293-L299 HydrophobicContact CG2-CD1 4.5Å; T293-L299 HydrophobicContact CG2-CG 4.24Å
294	H	65	Low	79.9	Confident	65 Å²	65	36.5 Å²	36.5	30%	0.301	19%	0.185	S	C	.	.	S	Bend	trans	-77	-22.9	173.4	-67.9	-64.7	0	0	0	112.3	L33 P296 V369 G370	L33-H294 WeakPolarHBondContact CD2-O 3.32Å; H294-P296 VanDerWaalsContact O-CD 3.24Å; H294-P296 WeakPolarHBondContact O-CD 3.22Å; H294-V369 WeakPolarHBondContact ND1-CG1 3.33Å; H294-G370 VanDerWaalsContact CD2-CA 3.42Å; H294-G370 WeakPolarHBondContact CD2-CA 3.48Å; H294-G370 PolarHBondContact CD2-N 3.37Å; H294-G370 PolarHBondContact CE1-N 3.2Å; H294-G370 VanDerWaalsContact CE1-N 3.26Å; H294-G370 WeakPolarHBondContact NE2-CA 3.32Å; H294-G370 PolarHBondContact NE2-N 3.46Å
295	D	66.8	Low	79.5	Confident	74 Å²	74	38.2 Å²	38.2	40%	0.396	19%	0.191	S	C	.	.			trans	-66.5	115.3	170.3	-175.5	0.4	0	0	0	108.8	T293 E297 P298	T293-D295 VanDerWaalsContact C-N 3.29Å; T293-D295 WeakPolarHBondContact OG1-CB 3.22Å; T293-D295 PolarHBondContact OG1-N 3.13Å; T293-D295 VanDerWaalsContact OG1-N 3.16Å; T293-D295 PolarHBondContact OG1-O 3Å; D295-E297 PolarHBondContact O-N 3.06Å; D295-E297 VanDerWaalsContact OD1-CB 3.3Å; D295-E297 WeakPolarHBondContact OD1-CB 3.3Å; D295-E297 PolarHBondContact OD1-N 3.5Å; D295-P298 HydrophobicContact CB-CG 4.47Å; D295-P298 VanDerWaalsContact CG-CD 3.42Å; D295-P298 WeakPolarHBondContact O-CD 3.42Å; D295-P298 WeakPolarHBondContact OD2-CD 3.29Å
296	P	67.4	Low	79	Confident	44 Å²	44	44.9 Å²	44.9	29%	0.286	22%	0.22	S	C	.	.	S	Bend	trans	-74.4	-15.2	179	32.7	-36.1	0	0	0	112.4	P34 I37 H294 L299 K300	P34-P296 HydrophobicContact CG-CB 3.85Å; P34-P296 HydrophobicContact CG-CG 4.31Å; I37-P296 HydrophobicContact CD1-CB 4.45Å; H294-P296 VanDerWaalsContact O-CD 3.24Å; H294-P296 WeakPolarHBondContact O-CD 3.22Å; P296-L299 CarbonylContact O-C 3.56Å; P296-L299 WeakPolarHBondContact O-CB 3.32Å; P296-L299 PolarHBondContact O-N 3.41Å; P296-L299 VanDerWaalsContact O-N 3.11Å; P296-K300 PolarHBondContact O-N 3.4Å
297	E	71.7	Confident	78.7	Confident	145 Å²	145	45.4 Å²	45.4	68%	0.678	22%	0.224	S	C	*	.	H	α-helix	trans	-62.7	-48.6	-175.3	-179	170.4	-150.1	0	0	112.7	D295 L299 K300	D295-E297 PolarHBondContact O-N 3.06Å; D295-E297 VanDerWaalsContact OD1-CB 3.3Å; D295-E297 WeakPolarHBondContact OD1-CB 3.3Å; D295-E297 PolarHBondContact OD1-N 3.5Å; E297-L299 PolarHBondContact O-N 3.26Å; E297-K300 VanDerWaalsContact O-CB 3.28Å; E297-K300 WeakPolarHBondContact O-CB 3.49Å; E297-K300 PolarHBondContact O-N 2.91Å; E297-K300 VanDerWaalsContact O-N 3.13Å
298	P	74.6	Confident	78.5	Confident	37 Å²	37	45.8 Å²	45.8	24%	0.24	23%	0.226	C	C	.	.	H	α-helix	trans	-57.4	-31.2	171.1	-26.8	34.3	0	0	0	114	I229 T293 D295	I229-P298 HydrophobicContact CD1-CB 4.04Å; I229-P298 HydrophobicContact CG2-CB 3.85Å; T293-P298 HydrophobicContact CG2-CB 4.19Å; T293-P298 HydrophobicContact CG2-CG 4.35Å; D295-P298 HydrophobicContact CB-CG 4.47Å; D295-P298 VanDerWaalsContact CG-CD 3.42Å; D295-P298 WeakPolarHBondContact O-CD 3.42Å; D295-P298 WeakPolarHBondContact OD2-CD 3.29Å
299	L	76.8	Confident	78.4	Confident	6 Å²	6	46.6 Å²	46.6	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-81.2	-26.4	-179.5	-64.2	171.6	0	0	0	112.4	W36 I229 L287 L292 T293 P296 E297 Q301 F302	W36-L299 HydrophobicContact CH2-CD1 3.92Å; W36-L299 HydrophobicContact CZ2-CD1 4.27Å; I229-L299 HydrophobicContact CD1-CD2 4.21Å; L287-L299 HydrophobicContact CD2-CD2 3.74Å; L292-L299 HydrophobicContact CD1-CD2 3.93Å; L292-L299 HydrophobicContact CG-CD1 4.47Å; T293-L299 HydrophobicContact CG2-CD1 4.5Å; T293-L299 HydrophobicContact CG2-CG 4.24Å; P296-L299 CarbonylContact O-C 3.56Å; P296-L299 WeakPolarHBondContact O-CB 3.32Å; P296-L299 PolarHBondContact O-N 3.41Å; P296-L299 VanDerWaalsContact O-N 3.11Å; E297-L299 PolarHBondContact O-N 3.26Å; L299-Q301 PolarHBondContact O-N 3.13Å; L299-F302 PolarHBondContact O-N 3.28Å; L299-F302 VanDerWaalsContact O-N 3.13Å
300	K	77	Confident	78.5	Confident	161 Å²	161	47 Å²	47	70%	0.7	23%	0.232	S	C	*	.	H	α-helix	trans	-59.2	-32.2	177.7	-169.9	-180	178.2	-176.5	0	111.4	P296 E297 F302 N303	P296-K300 PolarHBondContact O-N 3.4Å; E297-K300 VanDerWaalsContact O-CB 3.28Å; E297-K300 WeakPolarHBondContact O-CB 3.49Å; E297-K300 PolarHBondContact O-N 2.91Å; E297-K300 VanDerWaalsContact O-N 3.13Å; K300-F302 PolarHBondContact O-N 3.34Å; K300-F302 VanDerWaalsContact O-N 3.13Å; K300-N303 PolarHBondContact O-N 2.85Å; K300-N303 PolarHBondContact O-OD1 3.33Å
301	Q	77.5	Confident	78.7	Confident	71 Å²	71	47.7 Å²	47.7	33%	0.332	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-32.3	176.8	-172.8	175.4	11.3	0	0	113.4	E232 Y237 L299 N303	E232-Q301 PolarHBondContact OE1-NE2 2.96Å; E232-Q301 PolarHBondContact OE2-NE2 3.28Å; E232-Q301 PolarHBondContact OE2-OE1 2.58Å; Y237-Q301 VanDerWaalsContact CE1-O 3.31Å; Y237-Q301 WeakPolarHBondContact CE1-O 3.01Å; L299-Q301 PolarHBondContact O-N 3.13Å; Q301-N303 VanDerWaalsContact C-N 3.31Å; Q301-N303 PolarHBondContact O-N 3.15Å
302	F	81.1	Confident	78.9	Confident	2 Å²	2	48 Å²	48	1%	0.009	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	2.3	-179.1	-64	-52.8	0	0	0	114.4	I222 I229 W236 Y237 K285 L287 L299 K300 L304	I222-F302 HydrophobicContact CD1-CD1 3.7Å; I222-F302 HydrophobicContact CD1-CD2 4.33Å; I222-F302 HydrophobicContact CD1-CE1 3.48Å; I222-F302 VanDerWaalsContact CD1-CE1 3.48Å; I222-F302 HydrophobicContact CD1-CE2 4.06Å; I222-F302 HydrophobicContact CD1-CG 4.13Å; I222-F302 HydrophobicContact CD1-CZ 3.66Å; I222-F302 HydrophobicContact CG2-CZ 4.45Å; I229-F302 HydrophobicContact CD1-CD2 4.41Å; I229-F302 HydrophobicContact CD1-CE2 3.6Å; I229-F302 HydrophobicContact CD1-CZ 4.32Å; I229-F302 HydrophobicContact CG1-CD2 4.4Å; I229-F302 HydrophobicContact CG1-CE2 3.32Å; I229-F302 HydrophobicContact CG1-CZ 3.53Å; W236-F302 HydrophobicContact CH2-CE1 4.26Å; W236-F302 AromaticContact CZ2-CE1 3.88Å; W236-F302 HydrophobicContact CZ2-CE1 3.88Å; W236-F302 HydrophobicContact CZ2-CZ 4.41Å; Y237-F302 HydrophobicContact CD1-CD1 4.24Å; Y237-F302 AromaticContact CD2-CD1 3.63Å; Y237-F302 HydrophobicContact CD2-CD1 3.63Å; Y237-F302 AromaticContact CD2-CE1 3.94Å; Y237-F302 HydrophobicContact CD2-CE1 3.94Å; Y237-F302 HydrophobicContact CE1-CD1 4.34Å; Y237-F302 AromaticContact CE2-CD1 3.72Å; Y237-F302 HydrophobicContact CE2-CD1 3.72Å; Y237-F302 HydrophobicContact CE2-CE1 4.44Å; Y237-F302 AromaticContact CG-CD1 3.91Å; Y237-F302 HydrophobicContact CG-CD1 3.91Å; Y237-F302 HydrophobicContact CG-CE1 4.14Å; Y237-F302 PolarHBondContact OH-O 2.81Å; K285-F302 WeakPolarHBondContact CD-O 3.49Å; K285-F302 PolarHBondContact NZ-O 3.22Å; L287-F302 HydrophobicContact CD2-CD2 3.72Å; L287-F302 HydrophobicContact CD2-CE2 4.16Å; L287-F302 HydrophobicContact CG-CD2 4.44Å; L299-F302 PolarHBondContact O-N 3.28Å; L299-F302 VanDerWaalsContact O-N 3.13Å; K300-F302 PolarHBondContact O-N 3.34Å; K300-F302 VanDerWaalsContact O-N 3.13Å; F302-L304 VanDerWaalsContact C-N 3.31Å; F302-L304 HydrophobicContact CB-CD2 3.89Å; F302-L304 HydrophobicContact CB-CG 4.26Å; F302-L304 PolarHBondContact O-N 3.1Å
303	N	80.1	Confident	78.7	Confident	81 Å²	81	50.9 Å²	50.9	43%	0.433	25%	0.253	S	S	.	.			trans	44.8	54.1	176.9	-66.9	-35.8	0	0	0	112.6	K285 K300 Q301	K285-N303 PolarHBondContact NZ-O 3.27Å; K300-N303 PolarHBondContact O-N 2.85Å; K300-N303 PolarHBondContact O-OD1 3.33Å; Q301-N303 VanDerWaalsContact C-N 3.31Å; Q301-N303 PolarHBondContact O-N 3.15Å
304	L	84.6	Confident	78.1	Confident	36 Å²	36	53.9 Å²	53.9	19%	0.188	26%	0.263	C	S	.	.			trans	-67.4	137.4	-175.3	-58.9	178.7	0	0	0	111.3	D103 K285 L287 F302 P307	D103-L304 HydrophobicContact CB-CB 4.43Å; D103-L304 HydrophobicContact CB-CD2 4.38Å; D103-L304 WeakPolarHBondContact OD2-CA 3.12Å; K285-L304 HydrophobicContact CB-CD2 4.08Å; K285-L304 HydrophobicContact CD-CD2 4.03Å; L287-L304 HydrophobicContact CD1-CD2 3.64Å; L287-L304 HydrophobicContact CD2-CD1 4.08Å; L287-L304 HydrophobicContact CD2-CD2 4.26Å; F302-L304 VanDerWaalsContact C-N 3.31Å; F302-L304 HydrophobicContact CB-CD2 3.89Å; F302-L304 HydrophobicContact CB-CG 4.26Å; F302-L304 PolarHBondContact O-N 3.1Å; L304-P307 HydrophobicContact CB-CB 4.16Å; L304-P307 HydrophobicContact CB-CG 4.03Å; L304-P307 HydrophobicContact CD1-CB 4.17Å; L304-P307 HydrophobicContact CD1-CG 4.39Å
305	Y	82.1	Confident	77.1	Confident	36 Å²	36	56.8 Å²	56.8	14%	0.141	28%	0.279	C	S	.	.	S	Bend	trans	-97.6	111.9	178.6	177.6	-101.8	0	0	0	111.2	R100 D103 P267 H274	R100-Y305 HydrophobicContact CB-CD1 4.37Å; R100-Y305 HydrophobicContact CB-CE1 3.93Å; R100-Y305 VanDerWaalsContact CD-CD1 3.47Å; R100-Y305 HydrophobicContact CG-CD1 3.69Å; R100-Y305 HydrophobicContact CG-CE1 3.77Å; D103-Y305 PolarHBondContact N-O 3.37Å; D103-Y305 PolarHBondContact OD2-N 3Å; P267-Y305 HydrophobicContact CB-CD2 4.19Å; H274-Y305 AromaticContact CE1-CE2 3.57Å; H274-Y305 AromaticContact CE1-CZ 3.53Å; H274-Y305 PolarHBondContact CE1-OH 3.21Å; H274-Y305 PolarHBondContact ND1-OH 3.41Å; H274-Y305 PolarHBondContact NE2-OH 3.43Å
306	F	82.9	Confident	75.7	Confident	139 Å²	139	61.3 Å²	61.3	61%	0.61	29%	0.291	S	S	*	.	S	Bend	trans	40.3	55.7	179	-157.9	-120.4	0	0	0	113.8	R102	R102-F306 WeakPolarHBondContact CB-O 3.44Å; R102-F306 HydrophobicContact CG-CD1 3.82Å; R102-F306 PolarHBondContact NE-O 3.42Å
307	P	87.9	Confident	73.9	Confident	13 Å²	13	66.9 Å²	66.9	8%	0.084	31%	0.312	C	S	.	.			trans	-63.6	154.7	-169	25.9	-35	0	0	0	113.1	W36 R102 D103 L304	W36-P307 VanDerWaalsContact CB-O 3.31Å; W36-P307 WeakPolarHBondContact CB-O 3.49Å; W36-P307 HydrophobicContact CD2-CB 4.12Å; W36-P307 HydrophobicContact CD2-CG 3.66Å; W36-P307 HydrophobicContact CE3-CB 4.26Å; W36-P307 HydrophobicContact CE3-CG 4.3Å; W36-P307 HydrophobicContact CG-CB 4.46Å; W36-P307 HydrophobicContact CG-CG 3.74Å; W36-P307 HydrophobicContact CZ2-CG 4.24Å; R102-P307 PolarHBondContact NH2-O 3.03Å; D103-P307 HydrophobicContact CB-CB 4.45Å; D103-P307 CarbonylContact O-C 3.55Å; D103-P307 WeakPolarHBondContact O-CA 3.39Å; L304-P307 HydrophobicContact CB-CB 4.16Å; L304-P307 HydrophobicContact CB-CG 4.03Å; L304-P307 HydrophobicContact CD1-CB 4.17Å; L304-P307 HydrophobicContact CD1-CG 4.39Å
308	I	89.4	Confident	71.8	Confident	8 Å²	8	65 Å²	65	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.6	169.9	-174.2	153	0	0	0	109.6	E41 Y85 D103 I104 C105 F310	E41-I308 HydrophobicContact CG-CD1 3.62Å; E41-I308 HydrophobicContact CG-CG1 3.95Å; Y85-I308 HydrophobicContact CE1-CG2 4.07Å; Y85-I308 HydrophobicContact CE2-CD1 4.23Å; D103-I308 PolarHBondContact O-N 2.86Å; I104-I308 HydrophobicContact CB-CG2 4.5Å; I104-I308 HydrophobicContact CG1-CG2 4.1Å; C105-I308 PolarHBondContact N-O 2.98Å; I308-F310 HydrophobicContact CG1-CE2 4.21Å; I308-F310 HydrophobicContact CG2-CD2 4.41Å; I308-F310 HydrophobicContact CG2-CE2 3.76Å
309	L	89.8	Confident	69.6	Low	17 Å²	17	72 Å²	72	9%	0.089	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.6	177.8	177.3	58.1	0	0	0	110.4	W36 P40 E41 C105 C107 L292	W36-L309 HydrophobicContact CE3-CB 3.81Å; W36-L309 HydrophobicContact CZ3-CB 3.91Å; W36-L309 HydrophobicContact CZ3-CD2 4.46Å; P40-L309 CarbonylContact C-O 3.48Å; P40-L309 VanDerWaalsContact CA-O 3.27Å; P40-L309 WeakPolarHBondContact CA-O 3.23Å; P40-L309 HydrophobicContact CB-CB 3.99Å; P40-L309 HydrophobicContact CB-CD2 3.99Å; P40-L309 HydrophobicContact CB-CG 3.87Å; P40-L309 WeakPolarHBondContact CB-O 3.49Å; E41-L309 PolarHBondContact N-O 2.92Å; C105-L309 HydrophobicContact CB-CD1 3.85Å; C105-L309 CarbonylContact O-C 3.42Å; C105-L309 WeakPolarHBondContact O-CA 3.4Å; C107-L309 HydrophobicContact CB-CD1 4.01Å; L292-L309 HydrophobicContact CD2-CD1 3.7Å
310	F	90.3	Very high	67.3	Low	8 Å²	8	78.8 Å²	78.8	4%	0.035	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.3	166.2	-68.9	-91.5	0	0	0	109.3	E41 F43 A81 V82 Y85 I104 C105 C107 I308	E41-F310 HydrophobicContact CB-CD1 3.73Å; E41-F310 HydrophobicContact CB-CE1 3.84Å; E41-F310 HydrophobicContact CB-CG 4.34Å; E41-F310 HydrophobicContact CG-CE1 4.16Å; E41-F310 HydrophobicContact CG-CZ 4.49Å; E41-F310 WeakPolarHBondContact O-CA 3.37Å; F43-F310 HydrophobicContact CD1-CB 4.34Å; F43-F310 HydrophobicContact CE1-CB 4.08Å; A81-F310 HydrophobicContact CB-CD1 4.26Å; V82-F310 HydrophobicContact CG2-CB 4.27Å; V82-F310 HydrophobicContact CG2-CD1 4.19Å; V82-F310 HydrophobicContact CG2-CD2 4.19Å; V82-F310 HydrophobicContact CG2-CG 3.95Å; Y85-F310 AromaticContact CD1-CE2 3.96Å; Y85-F310 HydrophobicContact CD1-CE2 3.96Å; Y85-F310 AromaticContact CD1-CZ 3.62Å; Y85-F310 HydrophobicContact CD1-CZ 3.62Å; Y85-F310 HydrophobicContact CD2-CZ 4.05Å; Y85-F310 HydrophobicContact CE1-CE2 4.12Å; Y85-F310 HydrophobicContact CE1-CZ 4.03Å; Y85-F310 HydrophobicContact CE2-CZ 4.42Å; Y85-F310 HydrophobicContact CG-CE2 4.43Å; Y85-F310 AromaticContact CG-CZ 3.63Å; Y85-F310 HydrophobicContact CG-CZ 3.63Å; I104-F310 HydrophobicContact CG2-CD2 3.78Å; I104-F310 HydrophobicContact CG2-CE2 3.86Å; C105-F310 PolarHBondContact O-N 3.36Å; C107-F310 PolarHBondContact N-O 3.34Å; I308-F310 HydrophobicContact CG1-CE2 4.21Å; I308-F310 HydrophobicContact CG2-CD2 4.41Å; I308-F310 HydrophobicContact CG2-CE2 3.76Å
311	T	87.2	Confident	65	Low	24 Å²	24	79.5 Å²	79.5	15%	0.147	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.5	176.5	-167.9	0	0	0	0	111.3	P40 E41 L42 F43 C107	P40-T311 HydrophobicContact CB-CG2 3.63Å; P40-T311 HydrophobicContact CG-CG2 3.7Å; E41-T311 PolarHBondContact O-N 3.28Å; L42-T311 VanDerWaalsContact CA-O 3.3Å; L42-T311 WeakPolarHBondContact CA-O 3.22Å; L42-T311 HydrophobicContact CD2-CG2 3.47Å; L42-T311 VanDerWaalsContact CD2-CG2 3.47Å; F43-T311 WeakPolarHBondContact CD1-O 3.27Å; F43-T311 PolarHBondContact N-O 2.94Å; C107-T311 WeakPolarHBondContact O-CA 3.39Å
312	S	80	Confident	62.9	Low	12 Å²	12	83.1 Å²	83.1	8%	0.084	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	143.5	177.7	67.1	0	0	0	0	112.1	F43 M373	F43-S312 VanDerWaalsContact CE2-CB 3.48Å; F43-S312 CarbonylContact O-C 3.55Å; F43-S312 WeakPolarHBondContact O-CA 3.25Å; S312-M373 PolarHBondContact OG-SD 3.38Å
313	N	69.9	Low	60.5	Low	73 Å²	73	90 Å²	90	39%	0.39	44%	0.435	S	S	.	.			trans	-73.4	145.3	176.6	-162.5	3.7	0	0	0	111.5	L42 F43	L42-N313 HydrophobicContact CB-CB 4.32Å; F43-N313 PolarHBondContact O-N 3.02Å
314	R	58.2	Low	58.1	Low	80 Å²	80	90 Å²	90	30%	0.302	45%	0.447	S	S	.	.			trans	-112	107.3	165.4	-84.5	-171.9	165.6	174.7	-0.5	108.9	R316 F372	R314-R316 PolarHBondContact O-N 3.31Å; R314-F372 VanDerWaalsContact CZ-O 3.27Å; R314-F372 PolarHBondContact NH1-O 3.49Å; R314-F372 PolarHBondContact NH2-O 3.21Å
315	I	42.9	Very low	55.7	Low	126 Å²	126	93.6 Å²	93.6	65%	0.646	47%	0.47	S	S	*	.			trans	-65.2	116.4	168.3	-59.9	170.7	0	0	0	107.6	H317	I315-H317 PolarHBondContact O-N 2.98Å; I315-H317 VanDerWaalsContact O-N 3.09Å
316	R	37.7	Very low	53.2	Low	168 Å²	168	97.6 Å²	97.6	63%	0.634	50%	0.501	S	S	*	.			trans	-72.1	95	167	-74.2	-177.4	176.1	-175	-2.7	108.1	R314 D318	R314-R316 PolarHBondContact O-N 3.31Å; R316-D318 PolarHBondContact O-N 3.44Å
317	H	30.3	Very low	50.9	Low	161 Å²	161	99.5 Å²	99.5	75%	0.745	51%	0.511	S	S	*	.			trans	-80.6	77.4	157	-77.3	-67.7	0	0	0	108.5	I315	I315-H317 PolarHBondContact O-N 2.98Å; I315-H317 VanDerWaalsContact O-N 3.09Å
318	D	27.9	Very low	48.2	Very low	105 Å²	105	105.5 Å²	105.5	56%	0.561	54%	0.542	S	S	*	.			trans	-151.8	94.9	160.9	-79.4	-30.6	0	0	0	105.2	R316 K527	R316-D318 PolarHBondContact O-N 3.44Å; D318-K527 IonicContact OD1-NZ 3.1Å; D318-K527 PolarHBondContact OD1-NZ 3.38Å
319	E	27.9	Very low	45.6	Very low	185 Å²	185	113.7 Å²	113.7	86%	0.864	58%	0.58	S	S	*	*			trans	166.9	103.5	149	-92.5	170.2	-152.9	0	0	110.5
320	N	27.9	Very low	42.7	Very low	148 Å²	148	121.6 Å²	121.6	79%	0.791	61%	0.614	S	S	*	*			trans	151.4	64.1	151.2	-74.7	-11.4	0	0	0	111.3
321	H	29.2	Very low	39.8	Very low	176 Å²	176	128.3 Å²	128.3	82%	0.815	65%	0.65	S	S	*	*			trans	-132.7	88.1	146.1	-106.2	-76.1	0	0	0	105.8	D323	H321-D323 PolarHBondContact O-N 3.43Å
322	I	33.9	Very low	37	Very low	147 Å²	147	131.2 Å²	131.2	75%	0.754	68%	0.677	S	S	*	*			trans	-72.1	101.3	161.9	-63.7	171.3	0	0	0	104.2	A324	I322-A324 HydrophobicContact CG2-CB 4.32Å; I322-A324 PolarHBondContact O-N 2.88Å
323	D	29.3	Very low	34.6	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	71%	0.71	S	S	*	*			trans	-67.4	86.7	162	-72.6	-30.4	0	0	0	106.8	H321 V325	H321-D323 PolarHBondContact O-N 3.43Å; D323-V325 PolarHBondContact O-N 3.4Å
324	A	30.8	Very low	32.6	Very low	83 Å²	83	140.9 Å²	140.9	69%	0.686	72%	0.722	S	S	*	*			trans	-72.8	114.8	171.2	0	0	0	0	0	108.4	I322	I322-A324 HydrophobicContact CG2-CB 4.32Å; I322-A324 PolarHBondContact O-N 2.88Å
325	V	33.4	Very low	31.1	Very low	111 Å²	111	143.4 Å²	143.4	67%	0.673	74%	0.741	S	S	*	*			trans	-47.7	136.7	167.1	177.9	0	0	0	0	109.9	D323 H327	D323-V325 PolarHBondContact O-N 3.4Å; V325-H327 PolarHBondContact O-N 2.99Å
326	P	30.5	Very low	30.4	Very low	120 Å²	120	142.3 Å²	142.3	78%	0.779	75%	0.745	S	S	*	*			trans	-76	116.9	-178.8	30.3	-30.3	0	0	0	109.3
327	H	34.7	Very low	30	Very low	178 Å²	178	138.7 Å²	138.7	82%	0.824	75%	0.745	S	S	*	*			trans	-111.6	119.9	160.2	-89.4	-63.6	0	0	0	109.2	V325	V325-H327 PolarHBondContact O-N 2.99Å
328	D	30	Very low	29.9	Very low	140 Å²	140	139.6 Å²	139.6	75%	0.749	75%	0.75	S	S	*	*			trans	-46.1	133.2	165.7	-66.7	-54.3	0	0	0	111.3
329	H	35.6	Very low	30.1	Very low	180 Å²	180	142.3 Å²	142.3	83%	0.833	76%	0.763	S	S	*	*				174	111	120	-91.5	-67.9	0	0	0	111.2
330	K	30	Very low	30	Very low	182 Å²	182	142.3 Å²	142.3	79%	0.791	76%	0.76	S	S	*	*			trans	4.5	131.5	144.2	-73.4	-180	178.8	177.7	0	119.3
331	N	28.2	Very low	30.1	Very low	149 Å²	149	145.4 Å²	145.4	80%	0.797	77%	0.766	S	S	*	*			trans	108.7	114.4	131.5	-69.5	-4.9	0	0	0	119.6
332	A	29.7	Very low	29.8	Very low	86 Å²	86	145.6 Å²	145.6	71%	0.711	77%	0.767	S	S	*	*				87	104.6	122.9	0	0	0	0	0	119.9
333	E	28.2	Very low	29.5	Very low	168 Å²	168	146 Å²	146	79%	0.785	77%	0.767	S	S	*	*				73.7	119.2	120.6	-73.4	-176	-175.3	0	0	121.8
334	N	27.2	Very low	29.3	Very low	120 Å²	120	147.5 Å²	147.5	64%	0.642	77%	0.766	S	S	*	*				95.7	119.4	124.1	-72.9	-13.4	0	0	0	121.2
335	N	27.1	Very low	28.9	Very low	132 Å²	132	149.1 Å²	149.1	71%	0.706	77%	0.771	S	S	*	*				95.2	116.3	129.5	-68.7	-10.9	0	0	0	120.6
336	S	28.7	Very low	28.7	Very low	104 Å²	104	152 Å²	152	73%	0.727	78%	0.782	S	S	*	*				50.1	146.5	126.5	66.1	0	0	0	0	118.9
337	S	28.8	Very low	28.5	Very low	91 Å²	91	154.7 Å²	154.7	64%	0.636	79%	0.785	S	S	*	*			cis	174	154.1	22.4	26.3	0	0	0	0	107.5
338	E	28.4	Very low	28.2	Very low	180 Å²	180	154 Å²	154	84%	0.841	79%	0.787	S	S	*	*			trans	61.9	140.4	145.4	-65	177.5	158.2	0	0	119.7
339	I	32.5	Very low	27.9	Very low	162 Å²	162	158.4 Å²	158.4	83%	0.831	79%	0.793	S	S	*	*				-167.7	138.7	79.1	-82.2	162.1	0	0	0	110.9
340	K	25.2	Very low	27.5	Very low	186 Å²	186	158.5 Å²	158.5	81%	0.809	79%	0.794	S	S	*	*			trans	-80.1	156.2	165.8	-71.6	170.8	171.6	173.4	0	111.7
341	K	29.9	Very low	27.4	Very low	212 Å²	212	157.1 Å²	157.1	92%	0.922	79%	0.794	S	S	*	*			trans	-160.1	146.3	139.1	-109.5	169.9	-172.5	-175.8	0	112.9
342	Q	23.5	Very low	27.3	Very low	180 Å²	180	155.6 Å²	155.6	84%	0.841	79%	0.792	S	S	*	*			trans	-122.6	179.3	-164.1	-132.2	165.8	-22.7	0	0	109.4
343	E	27	Very low	27.1	Very low	157 Å²	157	158.8 Å²	158.8	73%	0.734	80%	0.797	S	S	*	*			trans	105.4	138.3	169.7	-61.6	-167.4	129.6	0	0	114.9
344	K	26.8	Very low	27.1	Very low	176 Å²	176	157 Å²	157	77%	0.765	80%	0.798	S	S	*	*			cis	-164.2	160.2	2.2	-123.6	168	-179.3	144.9	0	109
345	C	22	Very low	27	Very low	117 Å²	117	157.9 Å²	157.9	79%	0.791	80%	0.801	S	S	*	*			trans	-75.6	153.5	-177.6	-61.9	0	0	0	0	114.8
346	D	29.2	Very low	27.1	Very low	171 Å²	171	156.2 Å²	156.2	91%	0.914	80%	0.799	S	S	*	*			trans	-153.8	141.7	138.5	-95.9	-27.2	0	0	0	111.1
347	E	24.8	Very low	26.8	Very low	177 Å²	177	159.7 Å²	159.7	83%	0.827	80%	0.804	S	S	*	*			trans	-77.7	138.2	-169.9	-60.9	176.5	143.1	0	0	112.6
348	N	28.7	Very low	26.8	Very low	163 Å²	163	161.8 Å²	161.8	87%	0.872	81%	0.812	S	S	*	*				-174.7	144.5	128.7	-91.6	-40	0	0	0	112.6
349	R	25.1	Very low	26.6	Very low	233 Å²	233	162.4 Å²	162.4	88%	0.879	81%	0.812	S	S	*	*			trans	-62.5	134	-168.5	-65.4	162.7	171.8	165.5	-2.2	113.3
350	E	27.2	Very low	26.1	Very low	182 Å²	182	160.1 Å²	160.1	85%	0.85	81%	0.811	S	S	*	*			trans	175.1	111.8	130.5	-95.1	170	-165	0	0	112.2
351	I	27.4	Very low	26.1	Very low	153 Å²	153	156.7 Å²	156.7	79%	0.785	81%	0.81	S	S	*	*			trans	37	107.6	148.5	-44.6	169.6	0	0	0	118.2	N353	I351-N353 PolarHBondContact O-N 3.47Å
352	P	25.7	Very low	25.8	Very low	118 Å²	118	155 Å²	155	77%	0.766	81%	0.806	S	S	*	*			trans	-85.6	109.3	-176.1	32.3	-29.7	0	0	0	113.1	V354	P352-V354 PolarHBondContact O-N 2.94Å
353	N	26.1	Very low	25.8	Very low	152 Å²	152	153.6 Å²	153.6	81%	0.813	80%	0.804	S	S	*	*			trans	-67.9	109.3	154.3	-83.3	-31.7	0	0	0	109	I351 I355	I351-N353 PolarHBondContact O-N 3.47Å; N353-I355 PolarHBondContact O-N 3.42Å
354	V	28	Very low	25.9	Very low	132 Å²	132	155.5 Å²	155.5	80%	0.8	81%	0.812	S	S	*	*			trans	-77.1	87.7	173.6	-178.3	0	0	0	0	109	P352	P352-V354 PolarHBondContact O-N 2.94Å
355	I	26	Very low	25.8	Very low	138 Å²	138	152 Å²	152	71%	0.708	81%	0.806	S	S	*	*			trans	-102.9	95.1	158.8	-61.7	173.2	0	0	0	106.1	N353 H357	N353-I355 PolarHBondContact O-N 3.42Å; I355-H357 PolarHBondContact O-N 3.16Å
356	S	27.5	Very low	26.3	Very low	97 Å²	97	153 Å²	153	68%	0.678	81%	0.809	S	S	*	*			trans	-82.3	102.9	167.3	57.6	0	0	0	0	109	V358	S356-V358 PolarHBondContact O-N 3.1Å
357	H	23.8	Very low	26.2	Very low	176 Å²	176	147.3 Å²	147.3	82%	0.815	79%	0.786	S	S	*	*			trans	-45.3	111.8	161.6	-78.8	-90.1	0	0	0	111.3	I355	I355-H357 PolarHBondContact O-N 3.16Å
358	V	28.3	Very low	26.9	Very low	135 Å²	135	141 Å²	141	82%	0.818	77%	0.768	S	S	*	*			trans	-109	115.1	157	179.3	0	0	0	0	106.9	S356	S356-V358 PolarHBondContact O-N 3.1Å
359	K	24.4	Very low	27.5	Very low	193 Å²	193	136.4 Å²	136.4	84%	0.839	75%	0.745	S	S	*	*			trans	-52.1	132.8	-174.3	-72.5	172.1	173.1	176.5	0	111.9	S361	K359-S361 PolarHBondContact O-N 3.08Å
360	S	22.4	Very low	28.6	Very low	115 Å²	115	126.5 Å²	126.5	80%	0.804	72%	0.716	S	S	*	*			trans	-50.8	114.1	160.8	45.3	0	0	0	0	111.4
361	S	24.9	Very low	30.2	Very low	114 Å²	114	121 Å²	121	80%	0.797	69%	0.69	S	S	*	*			trans	-127	108.7	155.7	62	0	0	0	0	108	K359 N363	K359-S361 PolarHBondContact O-N 3.08Å; S361-N363 PolarHBondContact O-N 3.38Å
362	E	24	Very low	32.3	Very low	176 Å²	176	115 Å²	115	82%	0.822	66%	0.659	S	S	*	*			trans	-65.6	115.9	-175.6	-65.8	161.9	151.8	0	0	110.6
363	N	23.6	Very low	34.3	Very low	150 Å²	150	110.4 Å²	110.4	80%	0.802	63%	0.627	S	S	*	*			trans	-173.6	63.9	152.3	-91.4	-25.4	0	0	0	109	S361 T365	S361-N363 PolarHBondContact O-N 3.38Å; N363-T365 PolarHBondContact O-N 3.4Å
364	H	27.3	Very low	36.6	Very low	197 Å²	197	104.1 Å²	104.1	91%	0.912	59%	0.594	S	S	*	*			trans	-72.3	72.9	169.1	-74.8	-60.4	0	0	0	110.2
365	T	26.5	Very low	38.8	Very low	104 Å²	104	99.5 Å²	99.5	64%	0.638	57%	0.567	S	S	*	*			trans	-63.6	142.2	152.4	52.2	0	0	0	0	107.1	N363 A367	N363-T365 PolarHBondContact O-N 3.4Å; T365-A367 VanDerWaalsContact O-CB 3.3Å; T365-A367 WeakPolarHBondContact O-CB 3.41Å; T365-A367 PolarHBondContact O-N 2.99Å
366	T	31.1	Very low	41.2	Very low	137 Å²	137	100.4 Å²	100.4	84%	0.84	57%	0.568	S	S	*	*			trans	-62.1	59	-178.1	40.8	0	0	0	0	112.9	G368	T366-G368 PolarHBondContact O-N 3.17Å
367	A	28.2	Very low	43.8	Very low	52 Å²	52	97.5 Å²	97.5	43%	0.43	55%	0.548	S	S	.	.			trans	-91.1	77.2	-166.8	0	0	0	0	0	110.2	T365	T365-A367 VanDerWaalsContact O-CB 3.3Å; T365-A367 WeakPolarHBondContact O-CB 3.41Å; T365-A367 PolarHBondContact O-N 2.99Å
368	G	39.8	Very low	46.8	Very low	44 Å²	44	89.9 Å²	89.9	45%	0.454	51%	0.513	S	S	.	.	S	Bend	trans	156.1	-19.6	167.4	0	0	0	0	0	115.8	T366	T366-G368 PolarHBondContact O-N 3.17Å
369	V	40.7	Very low	49.8	Very low	66 Å²	66	87.5 Å²	87.5	40%	0.4	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	117	-175.6	-163.7	0	0	0	0	109	L33 H294	L33-V369 HydrophobicContact CD1-CB 4.4Å; L33-V369 HydrophobicContact CD1-CG1 3.56Å; H294-V369 WeakPolarHBondContact ND1-CG1 3.33Å
370	G	48.5	Very low	53	Low	25 Å²	25	79.2 Å²	79.2	26%	0.258	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	118.1	-11.1	-175.9	0	0	0	0	0	115.7	H294	H294-G370 VanDerWaalsContact CD2-CA 3.42Å; H294-G370 WeakPolarHBondContact CD2-CA 3.48Å; H294-G370 PolarHBondContact CD2-N 3.37Å; H294-G370 PolarHBondContact CE1-N 3.2Å; H294-G370 VanDerWaalsContact CE1-N 3.26Å; H294-G370 WeakPolarHBondContact NE2-CA 3.32Å; H294-G370 PolarHBondContact NE2-N 3.46Å
371	Q	60.5	Low	56.4	Low	66 Å²	66	75 Å²	75	31%	0.308	42%	0.424	S	S	.	.			trans	-93.6	113.4	-171.7	-62.6	-169.8	7.8	0	0	112.3
372	F	70.5	Confident	59.6	Low	29 Å²	29	69.8 Å²	69.8	13%	0.127	39%	0.387	C	S	.	.			trans	-70	133.5	176.1	-59	-69.8	0	0	0	112	T291 R314 I485 K486 I489 A523	T291-F372 HydrophobicContact CG2-CD1 3.58Å; T291-F372 HydrophobicContact CG2-CE1 3.98Å; R314-F372 VanDerWaalsContact CZ-O 3.27Å; R314-F372 PolarHBondContact NH1-O 3.49Å; R314-F372 PolarHBondContact NH2-O 3.21Å; F372-I485 HydrophobicContact CD2-CB 4.47Å; F372-I485 HydrophobicContact CD2-CG2 3.52Å; F372-I485 HydrophobicContact CE2-CB 3.96Å; F372-I485 HydrophobicContact CE2-CG2 3.48Å; F372-I485 VanDerWaalsContact CE2-CG2 3.48Å; F372-K486 HydrophobicContact CE1-CG 3.73Å; F372-K486 HydrophobicContact CZ-CG 3.55Å; F372-I489 HydrophobicContact CB-CB 4.45Å; F372-I489 HydrophobicContact CB-CD1 3.5Å; F372-I489 VanDerWaalsContact CB-CD1 3.5Å; F372-I489 HydrophobicContact CB-CG1 3.52Å; F372-I489 HydrophobicContact CB-CG2 4.28Å; F372-I489 HydrophobicContact CD1-CG1 4.41Å; F372-I489 HydrophobicContact CD2-CG1 4.04Å; F372-I489 HydrophobicContact CG-CD1 4.21Å; F372-I489 HydrophobicContact CG-CG1 3.74Å; F372-A523 HydrophobicContact CD2-CB 3.94Å; F372-A523 HydrophobicContact CE2-CB 4.21Å
373	M	69.1	Low	62.8	Low	20 Å²	20	61.4 Å²	61.4	10%	0.099	35%	0.348	C	S	.	.			trans	-87.3	139.9	-176.8	-54	-175.5	-55.7	0	0	111.4	C107 S312	C107-M373 WeakPolarHBondContact O-CE 3.19Å; S312-M373 PolarHBondContact OG-SD 3.38Å
374	V	74.5	Confident	66.1	Low	21 Å²	21	56 Å²	56	13%	0.127	32%	0.321	C	S	.	.			trans	-144.4	144.3	-177.5	173.1	0	0	0	0	108.9	L378 I489 I492 R525	V374-L378 HydrophobicContact CG1-CB 4.17Å; V374-L378 HydrophobicContact CG1-CD2 3.29Å; V374-L378 HydrophobicContact CG1-CG 4.34Å; V374-I489 HydrophobicContact CG2-CD1 3.54Å; V374-I489 HydrophobicContact CG2-CG2 4.33Å; V374-I492 HydrophobicContact CG1-CD1 3.98Å; V374-I492 HydrophobicContact CG2-CD1 3.87Å; V374-R525 VanDerWaalsContact CB-NH2 3.31Å; V374-R525 VanDerWaalsContact CG2-CZ 3.48Å
375	P	74	Confident	69	Low	34 Å²	34	46.8 Å²	46.8	22%	0.221	28%	0.278	C	S	.	.			trans	-58.3	141.6	-179.4	-23.3	34	0	0	0	112.7	S377 L378 A496	P375-S377 VanDerWaalsContact C-N 3.28Å; P375-S377 PolarHBondContact O-N 3.42Å; P375-L378 WeakPolarHBondContact O-CB 3.49Å; P375-L378 PolarHBondContact O-N 3.28Å; P375-A496 HydrophobicContact CB-CB 4.12Å; P375-A496 HydrophobicContact CG-CB 4.36Å
376	E	75.2	Confident	71.9	Confident	158 Å²	158	48.7 Å²	48.7	74%	0.738	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.1	178.7	-65.7	175.6	-167.2	0	0	112.9	S45 L378	S45-E376 PolarHBondContact OG-OE1 3.28Å; E376-L378 PolarHBondContact O-N 2.61Å
377	S	83.2	Confident	74.5	Confident	36 Å²	36	45.6 Å²	45.6	25%	0.252	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	1.8	177.9	62.1	0	0	0	0	114.1	P375 K500 G502	P375-S377 VanDerWaalsContact C-N 3.28Å; P375-S377 PolarHBondContact O-N 3.42Å; S377-K500 WeakPolarHBondContact CB-O 3.49Å; S377-K500 PolarHBondContact OG-O 3Å; S377-G502 PolarHBondContact O-N 3.05Å
378	L	87.1	Confident	77.1	Confident	15 Å²	15	48.2 Å²	48.2	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122	178.5	-175.6	76.3	0	0	0	111.1	V374 P375 E376 E380 I492 T495 A496 A504	V374-L378 HydrophobicContact CG1-CB 4.17Å; V374-L378 HydrophobicContact CG1-CD2 3.29Å; V374-L378 HydrophobicContact CG1-CG 4.34Å; P375-L378 WeakPolarHBondContact O-CB 3.49Å; P375-L378 PolarHBondContact O-N 3.28Å; E376-L378 PolarHBondContact O-N 2.61Å; L378-E380 HydrophobicContact CD2-CG 3.6Å; L378-E380 HydrophobicContact CG-CG 4.02Å; L378-I492 HydrophobicContact CD2-CB 3.9Å; L378-I492 HydrophobicContact CD2-CD1 3.77Å; L378-I492 HydrophobicContact CD2-CG1 4.03Å; L378-T495 HydrophobicContact CD1-CG2 3.4Å; L378-A496 HydrophobicContact CB-CB 3.87Å; L378-A496 HydrophobicContact CD1-CB 3.87Å; L378-A504 HydrophobicContact CD1-CB 4.16Å; L378-A504 HydrophobicContact CD2-CB 4.49Å
379	E	90.3	Very high	79.4	Confident	86 Å²	86	47.4 Å²	47.4	40%	0.402	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.5	167	-61.2	-161.4	118.9	0	0	111.3	F381 G502 T503 A504 K529	E379-F381 HydrophobicContact CB-CE2 3.73Å; E379-F381 HydrophobicContact CB-CZ 4.27Å; E379-G502 PolarHBondContact N-O 3.48Å; E379-T503 HydrophobicContact CB-CG2 4.26Å; E379-T503 CarbonylContact O-C 3.51Å; E379-T503 WeakPolarHBondContact O-CA 3.4Å; E379-A504 PolarHBondContact O-N 3.46Å; E379-K529 IonicContact OE1-NZ 2.91Å; E379-K529 PolarHBondContact OE1-NZ 2.71Å
380	E	91.9	Very high	81.8	Confident	19 Å²	19	45 Å²	45	9%	0.089	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.3	-178.4	-62.8	174.5	-106.9	0	0	111.5	L378 Y488 R525 I528 K529	L378-E380 HydrophobicContact CD2-CG 3.6Å; L378-E380 HydrophobicContact CG-CG 4.02Å; E380-Y488 PolarHBondContact OE2-OH 2.99Å; E380-R525 IonicContact OE1-CZ 2.65Å; E380-R525 IonicContact OE1-NH1 2.59Å; E380-R525 PolarHBondContact OE1-NH1 3.38Å; E380-R525 IonicContact OE1-NH2 3.15Å; E380-R525 PolarHBondContact OE1-NH2 3.49Å; E380-R525 IonicContact OE2-CZ 3.75Å; E380-R525 IonicContact OE2-NH2 2.71Å; E380-R525 PolarHBondContact OE2-NH2 3.09Å; E380-I528 HydrophobicContact CB-CG2 3.95Å; E380-K529 PolarHBondContact O-N 2.96Å
381	F	92.6	Very high	83.9	Confident	27 Å²	27	43.9 Å²	43.9	12%	0.118	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.8	-179.7	-63.4	-85.2	0	0	0	111.8	E379 T503 A504 Y505 N506 K529	E379-F381 HydrophobicContact CB-CE2 3.73Å; E379-F381 HydrophobicContact CB-CZ 4.27Å; F381-T503 HydrophobicContact CE2-CG2 4.41Å; F381-A504 PolarHBondContact N-O 3.38Å; F381-Y505 HydrophobicContact CB-CD1 3.44Å; F381-Y505 VanDerWaalsContact CB-CD1 3.44Å; F381-Y505 HydrophobicContact CB-CE1 3.65Å; F381-Y505 HydrophobicContact CB-CG 4.37Å; F381-Y505 HydrophobicContact CD1-CE1 4.38Å; F381-Y505 HydrophobicContact CD2-CD1 4.01Å; F381-Y505 AromaticContact CD2-CE1 3.48Å; F381-Y505 HydrophobicContact CD2-CE1 3.48Å; F381-Y505 VanDerWaalsContact CD2-CE1 3.48Å; F381-Y505 AromaticContact CD2-CZ 3.82Å; F381-Y505 HydrophobicContact CE2-CE1 4.21Å; F381-Y505 AromaticContact CG-CD1 3.93Å; F381-Y505 HydrophobicContact CG-CD1 3.93Å; F381-Y505 AromaticContact CG-CE1 3.58Å; F381-Y505 HydrophobicContact CG-CE1 3.58Å; F381-Y505 WeakPolarHBondContact O-CA 3.29Å; F381-N506 PolarHBondContact O-N 2.96Å; F381-K529 CarbonylContact C-O 3.55Å; F381-K529 WeakPolarHBondContact CA-O 3.37Å; F381-K529 HydrophobicContact CD1-CB 3.72Å; F381-K529 HydrophobicContact CD1-CD 4.33Å; F381-K529 HydrophobicContact CE1-CB 3.85Å; F381-K529 HydrophobicContact CE1-CD 3.59Å; F381-K529 HydrophobicContact CE1-CG 4.35Å; F381-K529 HydrophobicContact CZ-CD 3.98Å
382	L	92.5	Very high	85.4	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.7	167.8	-57.7	-177.4	0	0	0	109.4	N506 L508 F513 F516 L520 I528 K529 L531	L382-N506 HydrophobicContact CD2-CB 4.06Å; L382-L508 HydrophobicContact CB-CD1 4.43Å; L382-L508 HydrophobicContact CD2-CD1 4.11Å; L382-F513 HydrophobicContact CB-CD2 4.47Å; L382-F513 HydrophobicContact CB-CE2 3.74Å; L382-F513 HydrophobicContact CD1-CE2 4.15Å; L382-F513 HydrophobicContact CD1-CZ 4.42Å; L382-F516 HydrophobicContact CD2-CD1 4.21Å; L382-F516 HydrophobicContact CD2-CE1 4.13Å; L382-L520 HydrophobicContact CD1-CD1 4.39Å; L382-L520 HydrophobicContact CD2-CD1 4.27Å; L382-I528 HydrophobicContact CD1-CG2 4.23Å; L382-I528 HydrophobicContact CD2-CG2 4.28Å; L382-I528 HydrophobicContact CG-CG2 3.73Å; L382-K529 PolarHBondContact N-O 2.9Å; L382-L531 PolarHBondContact O-N 2.94Å
383	V	92.5	Very high	86.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.7	-176.7	-172.9	0	0	0	0	109.5	A385 F393 Y505 N506 L507 L508 L531 F533	V383-A385 PolarHBondContact O-N 3.05Å; V383-F393 HydrophobicContact CB-CZ 4.49Å; V383-F393 HydrophobicContact CG1-CD2 4.07Å; V383-F393 HydrophobicContact CG1-CE2 3.8Å; V383-F393 HydrophobicContact CG1-CZ 4.24Å; V383-F393 HydrophobicContact CG2-CE1 4.36Å; V383-F393 HydrophobicContact CG2-CE2 4.06Å; V383-F393 HydrophobicContact CG2-CZ 3.71Å; V383-Y505 HydrophobicContact CG2-CD1 3.87Å; V383-N506 PolarHBondContact N-O 3.03Å; V383-L507 HydrophobicContact CB-CD2 3.77Å; V383-L507 HydrophobicContact CG1-CD2 4Å; V383-L507 HydrophobicContact CG2-CD2 4.28Å; V383-L508 PolarHBondContact O-N 3.46Å; V383-L531 WeakPolarHBondContact CA-O 3.47Å; V383-L531 HydrophobicContact CG1-CD2 4.16Å; V383-L531 HydrophobicContact CG2-CB 4.33Å; V383-L531 HydrophobicContact CG2-CD2 4.33Å; V383-F533 HydrophobicContact CG1-CB 3.91Å
384	T	91.6	Very high	87.6	Confident	37 Å²	37	38.5 Å²	38.5	23%	0.227	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.1	173.5	-48.3	0	0	0	0	109.1	L508	T384-L508 WeakPolarHBondContact CA-O 3.3Å
385	A	88.6	Confident	88.4	Confident	2 Å²	2	37.5 Å²	37.5	2%	0.017	19%	0.193	C	C	.	.			trans	-143.7	131.3	-177.6	0	0	0	0	0	111.7	V383 I389 R390 L508	V383-A385 PolarHBondContact O-N 3.05Å; A385-I389 HydrophobicContact CB-CD1 4.18Å; A385-I389 HydrophobicContact CB-CG1 4.09Å; A385-R390 HydrophobicContact CB-CG 4.15Å; A385-L508 PolarHBondContact N-O 2.91Å
386	K	87.7	Confident	89.3	Confident	145 Å²	145	36.5 Å²	36.5	63%	0.63	19%	0.185	S	C	*	.			trans	-63.9	150.2	169.5	-66.3	-177.1	177.9	-177.5	0	109.8	D388 I389 R390	K386-D388 PolarHBondContact O-N 3.31Å; K386-I389 HydrophobicContact CB-CD1 4.36Å; K386-I389 HydrophobicContact CB-CG1 4.06Å; K386-I389 WeakPolarHBondContact O-CG1 3.24Å; K386-I389 PolarHBondContact O-N 3.27Å; K386-I389 VanDerWaalsContact O-N 3.09Å; K386-R390 WeakPolarHBondContact O-CG 3.27Å; K386-R390 PolarHBondContact O-N 2.99Å
387	P	85.1	Confident	90.1	Very high	71 Å²	71	29 Å²	29	46%	0.461	15%	0.15	S	C	.	.	H	α-helix	trans	-49	-44.4	-179.1	-29.2	36.5	0	0	0	113.7	I389 R390	P387-I389 PolarHBondContact O-N 3.36Å; P387-R390 WeakPolarHBondContact O-CB 3.35Å; P387-R390 PolarHBondContact O-N 3.36Å
388	D	83.2	Confident	90.6	Very high	108 Å²	108	27.9 Å²	27.9	58%	0.578	14%	0.141	S	C	*	.	H	α-helix	trans	-65.8	-23.4	-175.3	-41.7	-33.9	0	0	0	113.7	K386 Y545	K386-D388 PolarHBondContact O-N 3.31Å; D388-Y545 PolarHBondContact O-OH 2.96Å
389	I	87.3	Confident	90.7	Very high	27 Å²	27	30.5 Å²	30.5	14%	0.138	15%	0.15	C	C	.	.	H	α-helix	trans	-101.4	-4.5	-178.6	62.8	170.1	0	0	0	112.9	A385 K386 P387 V391 L392 F393 F533 W538	A385-I389 HydrophobicContact CB-CD1 4.18Å; A385-I389 HydrophobicContact CB-CG1 4.09Å; K386-I389 HydrophobicContact CB-CD1 4.36Å; K386-I389 HydrophobicContact CB-CG1 4.06Å; K386-I389 WeakPolarHBondContact O-CG1 3.24Å; K386-I389 PolarHBondContact O-N 3.27Å; K386-I389 VanDerWaalsContact O-N 3.09Å; P387-I389 PolarHBondContact O-N 3.36Å; I389-V391 VanDerWaalsContact C-N 3.29Å; I389-V391 PolarHBondContact O-N 2.89Å; I389-L392 HydrophobicContact CG2-CD1 4.49Å; I389-L392 WeakPolarHBondContact O-CB 3.49Å; I389-L392 PolarHBondContact O-N 3.15Å; I389-F393 PolarHBondContact O-N 3.43Å; I389-F533 HydrophobicContact CD1-CD1 4.24Å; I389-W538 HydrophobicContact CG2-CH2 4.06Å; I389-W538 HydrophobicContact CG2-CZ2 3.81Å
390	R	91.5	Very high	90.7	Very high	15 Å²	15	30.4 Å²	30.4	6%	0.057	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-36.8	-178	-69.2	-173.9	-177.2	177.5	2.4	112.2	A385 K386 P387 F393 Y479 D480 L507 S509	A385-R390 HydrophobicContact CB-CG 4.15Å; K386-R390 WeakPolarHBondContact O-CG 3.27Å; K386-R390 PolarHBondContact O-N 2.99Å; P387-R390 WeakPolarHBondContact O-CB 3.35Å; P387-R390 PolarHBondContact O-N 3.36Å; R390-F393 WeakPolarHBondContact O-CB 3.34Å; R390-F393 PolarHBondContact O-N 2.96Å; R390-Y479 HydrophobicContact CB-CD2 4.06Å; R390-Y479 HydrophobicContact CB-CE2 3.4Å; R390-Y479 PolarHBondContact NH1-O 2.81Å; R390-D480 IonicContact NH1-OD1 3.91Å; R390-L507 HydrophobicContact CB-CD1 3.76Å; R390-L507 HydrophobicContact CG-CB 4.33Å; R390-L507 HydrophobicContact CG-CD1 3.98Å; R390-S509 PolarHBondContact NH2-OG 3.07Å
391	V	92.4	Very high	90.6	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-43.7	177.2	-176	0	0	0	0	110.4	I389 F393 L394 V395 L419 L422 L423 F426 Y479 Y545	I389-V391 VanDerWaalsContact C-N 3.29Å; I389-V391 PolarHBondContact O-N 2.89Å; V391-F393 PolarHBondContact O-N 3.01Å; V391-L394 WeakPolarHBondContact O-CB 3.29Å; V391-L394 PolarHBondContact O-N 3.47Å; V391-V395 PolarHBondContact O-N 3.37Å; V391-L419 HydrophobicContact CG1-CD1 4.43Å; V391-L419 HydrophobicContact CG2-CD1 3.93Å; V391-L422 HydrophobicContact CB-CD2 4.36Å; V391-L422 HydrophobicContact CG1-CD2 3.99Å; V391-L422 HydrophobicContact CG1-CG 4.15Å; V391-L422 HydrophobicContact CG2-CD2 3.73Å; V391-L423 HydrophobicContact CG1-CD2 4.11Å; V391-F426 HydrophobicContact CG1-CE2 4.02Å; V391-Y479 HydrophobicContact CG2-CE2 4.2Å; V391-Y479 WeakPolarHBondContact CG2-OH 2.82Å; V391-Y545 HydrophobicContact CB-CE2 4.06Å; V391-Y545 HydrophobicContact CG1-CE2 4.29Å; V391-Y545 HydrophobicContact CG2-CE2 4.41Å
392	L	91.8	Very high	90.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-29.7	176.6	-66.5	178.6	0	0	0	112.6	I389 V395 Y396 F426 F533 W538 F541 Y545	I389-L392 HydrophobicContact CG2-CD1 4.49Å; I389-L392 WeakPolarHBondContact O-CB 3.49Å; I389-L392 PolarHBondContact O-N 3.15Å; L392-V395 PolarHBondContact O-N 3.42Å; L392-Y396 WeakPolarHBondContact O-CB 3.38Å; L392-Y396 PolarHBondContact O-N 3.15Å; L392-F426 HydrophobicContact CD2-CZ 4.37Å; L392-F533 HydrophobicContact CB-CE1 4.47Å; L392-W538 HydrophobicContact CB-CB 4.14Å; L392-W538 HydrophobicContact CD1-CB 4.22Å; L392-W538 HydrophobicContact CD1-CD2 3.91Å; L392-W538 HydrophobicContact CD1-CE3 3.43Å; L392-W538 VanDerWaalsContact CD1-CE3 3.43Å; L392-W538 HydrophobicContact CD1-CG 4.28Å; L392-W538 HydrophobicContact CD1-CZ3 4.08Å; L392-F541 HydrophobicContact CD2-CB 3.79Å; L392-Y545 HydrophobicContact CD1-CD1 4.44Å; L392-Y545 HydrophobicContact CD2-CD2 4.26Å; L392-Y545 HydrophobicContact CD2-CG 3.91Å; L392-Y545 HydrophobicContact CG-CG 4.27Å
393	F	92.7	Very high	90.4	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-41	174.1	-173.9	-97.6	0	0	0	112.4	V383 I389 R390 V391 V395 Y396 L397 Y505 L507 L531 F533	V383-F393 HydrophobicContact CB-CZ 4.49Å; V383-F393 HydrophobicContact CG1-CD2 4.07Å; V383-F393 HydrophobicContact CG1-CE2 3.8Å; V383-F393 HydrophobicContact CG1-CZ 4.24Å; V383-F393 HydrophobicContact CG2-CE1 4.36Å; V383-F393 HydrophobicContact CG2-CE2 4.06Å; V383-F393 HydrophobicContact CG2-CZ 3.71Å; I389-F393 PolarHBondContact O-N 3.43Å; R390-F393 WeakPolarHBondContact O-CB 3.34Å; R390-F393 PolarHBondContact O-N 2.96Å; V391-F393 PolarHBondContact O-N 3.01Å; F393-V395 VanDerWaalsContact C-N 3.35Å; F393-Y396 HydrophobicContact CD2-CD1 4.3Å; F393-Y396 HydrophobicContact CE2-CD1 4.25Å; F393-Y396 HydrophobicContact CE2-CE1 4.42Å; F393-Y396 WeakPolarHBondContact O-CB 3.14Å; F393-Y396 PolarHBondContact O-N 3.12Å; F393-L397 HydrophobicContact CD1-CD1 3.96Å; F393-L397 HydrophobicContact CD1-CG 4.14Å; F393-L397 HydrophobicContact CE1-CD1 3.54Å; F393-L397 HydrophobicContact CE1-CD2 4.12Å; F393-L397 HydrophobicContact CE1-CG 3.8Å; F393-L397 HydrophobicContact CZ-CD1 4.29Å; F393-L397 HydrophobicContact CZ-CD2 4.04Å; F393-L397 HydrophobicContact CZ-CG 4.17Å; F393-L397 WeakPolarHBondContact O-CG 3.37Å; F393-L397 PolarHBondContact O-N 3.19Å; F393-Y505 HydrophobicContact CE1-CD1 4.12Å; F393-Y505 AromaticContact CE1-CG 3.94Å; F393-Y505 HydrophobicContact CE1-CG 3.94Å; F393-Y505 AromaticContact CZ-CD1 3.66Å; F393-Y505 HydrophobicContact CZ-CD1 3.66Å; F393-Y505 HydrophobicContact CZ-CE1 4.18Å; F393-Y505 AromaticContact CZ-CG 3.97Å; F393-Y505 HydrophobicContact CZ-CG 3.97Å; F393-L507 HydrophobicContact CB-CD1 4.45Å; F393-L507 HydrophobicContact CB-CD2 4.43Å; F393-L507 HydrophobicContact CD1-CD1 4.25Å; F393-L507 HydrophobicContact CD1-CD2 3.52Å; F393-L507 HydrophobicContact CD1-CG 4.41Å; F393-L507 HydrophobicContact CE1-CD2 3.79Å; F393-L507 HydrophobicContact CG-CD2 3.91Å; F393-L507 HydrophobicContact CZ-CD2 4.45Å; F393-L531 HydrophobicContact CE2-CD2 4.26Å; F393-F533 HydrophobicContact CB-CD1 4.3Å; F393-F533 HydrophobicContact CB-CE1 3.88Å; F393-F533 HydrophobicContact CB-CZ 4.11Å; F393-F533 HydrophobicContact CD2-CB 4.47Å; F393-F533 HydrophobicContact CD2-CD1 4.02Å; F393-F533 AromaticContact CD2-CD2 3.65Å; F393-F533 HydrophobicContact CD2-CD2 3.65Å; F393-F533 HydrophobicContact CD2-CE1 4.09Å; F393-F533 AromaticContact CD2-CE2 3.74Å; F393-F533 HydrophobicContact CD2-CE2 3.74Å; F393-F533 AromaticContact CD2-CG 3.8Å; F393-F533 HydrophobicContact CD2-CG 3.8Å; F393-F533 AromaticContact CD2-CZ 3.94Å; F393-F533 HydrophobicContact CD2-CZ 3.94Å; F393-F533 HydrophobicContact CE2-CD2 4.11Å; F393-F533 HydrophobicContact CE2-CE2 4.41Å; F393-F533 HydrophobicContact CE2-CG 4.45Å
394	L	93.1	Very high	90.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-41.5	175.2	-67.1	172.2	0	0	0	111.4	V391 L397 V398 L419 L423 I457 V477 Y479	V391-L394 WeakPolarHBondContact O-CB 3.29Å; V391-L394 PolarHBondContact O-N 3.47Å; L394-L397 PolarHBondContact O-N 3.12Å; L394-V398 PolarHBondContact O-N 2.98Å; L394-L419 HydrophobicContact CD1-CD1 4.05Å; L394-L419 HydrophobicContact CD1-CD2 4.07Å; L394-L419 HydrophobicContact CD1-CG 4.44Å; L394-L423 HydrophobicContact CB-CD2 4.13Å; L394-L423 HydrophobicContact CD1-CD1 3.96Å; L394-L423 HydrophobicContact CD1-CD2 4.29Å; L394-I457 HydrophobicContact CB-CD1 4.35Å; L394-V477 HydrophobicContact CD2-CB 3.98Å; L394-V477 HydrophobicContact CD2-CG1 3.75Å; L394-V477 HydrophobicContact CD2-CG2 3.97Å; L394-Y479 HydrophobicContact CD1-CD2 4.14Å
395	V	92.5	Very high	90.2	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-45.4	174.8	176.9	0	0	0	0	110.9	V391 L392 F393 L397 V398 R399 L423 F426 I429 F541	V391-V395 PolarHBondContact O-N 3.37Å; L392-V395 PolarHBondContact O-N 3.42Å; F393-V395 VanDerWaalsContact C-N 3.35Å; V395-L397 VanDerWaalsContact C-N 3.34Å; V395-L397 PolarHBondContact O-N 2.88Å; V395-V398 PolarHBondContact O-N 3.32Å; V395-R399 WeakPolarHBondContact O-CB 3.3Å; V395-R399 PolarHBondContact O-N 3.12Å; V395-L423 HydrophobicContact CG2-CD2 4.5Å; V395-F426 HydrophobicContact CG1-CD1 4.4Å; V395-F426 HydrophobicContact CG2-CD1 3.96Å; V395-F426 HydrophobicContact CG2-CD2 4.16Å; V395-F426 HydrophobicContact CG2-CE1 3.87Å; V395-F426 HydrophobicContact CG2-CE2 4.06Å; V395-F426 HydrophobicContact CG2-CG 4.09Å; V395-F426 HydrophobicContact CG2-CZ 3.89Å; V395-I429 HydrophobicContact CB-CD1 4.07Å; V395-I429 HydrophobicContact CG1-CD1 3.99Å; V395-I429 HydrophobicContact CG2-CD1 3.72Å; V395-F541 HydrophobicContact CG1-CD1 4.17Å; V395-F541 HydrophobicContact CG1-CD2 4.15Å; V395-F541 HydrophobicContact CG1-CE1 4.42Å; V395-F541 HydrophobicContact CG1-CE2 4.4Å; V395-F541 HydrophobicContact CG1-CG 4.03Å
396	Y	92.4	Very high	90.5	Very high	12 Å²	12	48.9 Å²	48.9	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-41.8	175.6	163.5	-93.8	0	0	0	112.2	L392 F393 V398 Q400 K401 F533 K537	L392-Y396 WeakPolarHBondContact O-CB 3.38Å; L392-Y396 PolarHBondContact O-N 3.15Å; F393-Y396 HydrophobicContact CD2-CD1 4.3Å; F393-Y396 HydrophobicContact CE2-CD1 4.25Å; F393-Y396 HydrophobicContact CE2-CE1 4.42Å; F393-Y396 WeakPolarHBondContact O-CB 3.14Å; F393-Y396 PolarHBondContact O-N 3.12Å; Y396-V398 PolarHBondContact O-N 3.09Å; Y396-Q400 HydrophobicContact CD2-CB 3.83Å; Y396-Q400 VanDerWaalsContact CD2-CD 3.46Å; Y396-Q400 HydrophobicContact CD2-CG 4.02Å; Y396-Q400 HydrophobicContact CE2-CB 3.91Å; Y396-Q400 HydrophobicContact CE2-CG 4.37Å; Y396-Q400 WeakPolarHBondContact O-CB 3.46Å; Y396-Q400 PolarHBondContact O-N 2.93Å; Y396-K401 HydrophobicContact CD1-CG 4.5Å; Y396-K401 HydrophobicContact CE1-CG 3.8Å; Y396-K401 PolarHBondContact O-N 3.46Å; Y396-K401 WeakPolarHBondContact OH-CE 3.44Å; Y396-F533 AromaticContact CD1-CE2 3.87Å; Y396-F533 HydrophobicContact CD1-CE2 3.87Å; Y396-F533 HydrophobicContact CD2-CE2 4.12Å; Y396-F533 HydrophobicContact CE1-CE2 4.36Å; Y396-F533 AromaticContact CG-CE2 3.74Å; Y396-F533 HydrophobicContact CG-CE2 3.74Å; Y396-F533 HydrophobicContact CG-CZ 4.22Å; Y396-K537 HydrophobicContact CD2-CB 4.11Å; Y396-K537 HydrophobicContact CE2-CB 3.95Å; Y396-K537 HydrophobicContact CE2-CD 4.1Å; Y396-K537 HydrophobicContact CE2-CG 4.18Å
397	L	93	Very high	90.8	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-42.1	177.5	-73.8	-179.1	0	0	0	112.4	F393 L394 V395 K401 H402 K403 I406 V477 Y505	F393-L397 HydrophobicContact CD1-CD1 3.96Å; F393-L397 HydrophobicContact CD1-CG 4.14Å; F393-L397 HydrophobicContact CE1-CD1 3.54Å; F393-L397 HydrophobicContact CE1-CD2 4.12Å; F393-L397 HydrophobicContact CE1-CG 3.8Å; F393-L397 HydrophobicContact CZ-CD1 4.29Å; F393-L397 HydrophobicContact CZ-CD2 4.04Å; F393-L397 HydrophobicContact CZ-CG 4.17Å; F393-L397 WeakPolarHBondContact O-CG 3.37Å; F393-L397 PolarHBondContact O-N 3.19Å; L394-L397 PolarHBondContact O-N 3.12Å; V395-L397 VanDerWaalsContact C-N 3.34Å; V395-L397 PolarHBondContact O-N 2.88Å; L397-K401 HydrophobicContact CD2-CB 4.38Å; L397-K401 HydrophobicContact CD2-CG 4.34Å; L397-K401 CarbonylContact O-C 3.39Å; L397-K401 WeakPolarHBondContact O-CB 3.49Å; L397-H402 PolarHBondContact O-N 3.07Å; L397-K403 HydrophobicContact CB-CB 4.47Å; L397-K403 HydrophobicContact CD2-CG 4.46Å; L397-K403 WeakPolarHBondContact O-CB 3.37Å; L397-K403 PolarHBondContact O-N 3.47Å; L397-I406 HydrophobicContact CB-CD1 3.95Å; L397-V477 HydrophobicContact CD1-CG2 3.58Å; L397-Y505 HydrophobicContact CD1-CD2 4.02Å; L397-Y505 HydrophobicContact CD1-CE2 4.33Å; L397-Y505 HydrophobicContact CD2-CD2 4.22Å; L397-Y505 HydrophobicContact CD2-CE2 3.78Å
398	V	92.5	Very high	91.3	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.073	17%	0.174	C	C	.	.	H	α-helix	trans	-72.4	-47.2	179.4	176.7	0	0	0	0	111.5	L394 V395 Y396 H402 I406 I429 I457	L394-V398 PolarHBondContact O-N 2.98Å; V395-V398 PolarHBondContact O-N 3.32Å; Y396-V398 PolarHBondContact O-N 3.09Å; V398-H402 WeakPolarHBondContact O-CA 3.38Å; V398-H402 PolarHBondContact O-N 3.29Å; V398-I406 HydrophobicContact CG2-CD1 3.62Å; V398-I429 HydrophobicContact CG1-CG1 4.37Å; V398-I457 HydrophobicContact CG2-CD1 3.8Å; V398-I457 HydrophobicContact CG2-CG1 3.97Å
399	R	90.1	Very high	91.9	Very high	71 Å²	71	33.6 Å²	33.6	27%	0.268	15%	0.147	S	C	.	.	H	α-helix	trans	-85.4	-43.1	-170.5	-70.2	-172.9	176.1	167.5	-0.5	114.3	V395 H402 K427 F541 E544	V395-R399 WeakPolarHBondContact O-CB 3.3Å; V395-R399 PolarHBondContact O-N 3.12Å; R399-H402 PolarHBondContact O-CE1 3.2Å; R399-K427 PolarHBondContact NH2-O 2.72Å; R399-F541 HydrophobicContact CB-CZ 4.15Å; R399-E544 IonicContact CZ-OE1 3.09Å; R399-E544 IonicContact CZ-OE2 3.18Å; R399-E544 VanDerWaalsContact CZ-OE2 3.31Å; R399-E544 IonicContact NH1-OE1 2.76Å; R399-E544 IonicContact NH1-OE2 2.75Å; R399-E544 PolarHBondContact NH1-OE2 3.17Å; R399-E544 IonicContact NH2-OE1 3.57Å; R399-E544 PolarHBondContact NH2-OE1 3.36Å; R399-E544 IonicContact NH2-OE2 3.7Å; R399-E544 PolarHBondContact NH2-OE2 3.1Å
400	Q	89.7	Confident	92.2	Very high	83 Å²	83	32.3 Å²	32.3	39%	0.388	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-36	-175.8	-65.9	-172.4	20.7	0	0	112.7	Y396 K537 F541	Y396-Q400 HydrophobicContact CD2-CB 3.83Å; Y396-Q400 VanDerWaalsContact CD2-CD 3.46Å; Y396-Q400 HydrophobicContact CD2-CG 4.02Å; Y396-Q400 HydrophobicContact CE2-CB 3.91Å; Y396-Q400 HydrophobicContact CE2-CG 4.37Å; Y396-Q400 WeakPolarHBondContact O-CB 3.46Å; Y396-Q400 PolarHBondContact O-N 2.93Å; Q400-K537 PolarHBondContact NE2-O 3.47Å; Q400-F541 HydrophobicContact CG-CE2 4.41Å; Q400-F541 HydrophobicContact CG-CZ 4.21Å
401	K	89.4	Confident	92.2	Very high	108 Å²	108	34.8 Å²	34.8	47%	0.47	16%	0.155	S	C	.	.	S	Bend	trans	-91.5	-2.7	176.3	-67.2	-69.5	-177.9	-176.9	0	113.6	Y396 L397 K403	Y396-K401 HydrophobicContact CD1-CG 4.5Å; Y396-K401 HydrophobicContact CE1-CG 3.8Å; Y396-K401 PolarHBondContact O-N 3.46Å; Y396-K401 WeakPolarHBondContact OH-CE 3.44Å; L397-K401 HydrophobicContact CD2-CB 4.38Å; L397-K401 HydrophobicContact CD2-CG 4.34Å; L397-K401 CarbonylContact O-C 3.39Å; L397-K401 WeakPolarHBondContact O-CB 3.49Å; K401-K403 HydrophobicContact CB-CG 3.97Å; K401-K403 PolarHBondContact O-N 2.79Å
402	H	90.3	Very high	92.1	Very high	139 Å²	139	38.2 Å²	38.2	64%	0.644	18%	0.176	S	C	*	.			trans	48.9	31.1	179.8	-61.8	-65.7	0	0	0	114.1	L397 V398 R399	L397-H402 PolarHBondContact O-N 3.07Å; V398-H402 WeakPolarHBondContact O-CA 3.38Å; V398-H402 PolarHBondContact O-N 3.29Å; R399-H402 PolarHBondContact O-CE1 3.2Å
403	K	90.6	Very high	92	Very high	34 Å²	34	40.4 Å²	40.4	15%	0.148	19%	0.189	C	C	.	.			trans	-70	133.4	179.5	-69	-62.8	-173.3	170.1	0	110.2	L397 K401 I406 E474 C475 T503	L397-K403 HydrophobicContact CB-CB 4.47Å; L397-K403 HydrophobicContact CD2-CG 4.46Å; L397-K403 WeakPolarHBondContact O-CB 3.37Å; L397-K403 PolarHBondContact O-N 3.47Å; K401-K403 HydrophobicContact CB-CG 3.97Å; K401-K403 PolarHBondContact O-N 2.79Å; K403-I406 HydrophobicContact CB-CD1 3.87Å; K403-I406 HydrophobicContact CB-CG1 4.1Å; K403-E474 WeakPolarHBondContact CD-OE1 3.17Å; K403-E474 IonicContact NZ-OE1 3.53Å; K403-E474 PolarHBondContact NZ-OE1 3.23Å; K403-C475 HydrophobicContact CD-CB 4.49Å; K403-T503 PolarHBondContact NZ-OG1 3.39Å
404	K	89.4	Confident	91.9	Very high	132 Å²	132	45 Å²	45	57%	0.574	21%	0.214	S	C	*	.			trans	-111.4	160.9	176.8	-62.1	180	-176.4	177.4	0	109.7	I406 E474	K404-I406 PolarHBondContact O-N 2.78Å; K404-E474 PolarHBondContact N-OE2 2.82Å; K404-E474 VanDerWaalsContact N-OE2 3.09Å; K404-E474 WeakPolarHBondContact O-CB 3.36Å
405	R	91.9	Very high	91.8	Very high	64 Å²	64	46.3 Å²	46.3	24%	0.242	22%	0.223	C	C	.	.	S	Bend	trans	46.4	58.5	176.5	-60.6	-179.2	-58	-84.3	-8.4	112.3	F450 Q456 D472	R405-F450 HydrophobicContact CB-CE1 4.11Å; R405-F450 HydrophobicContact CB-CE2 4.11Å; R405-F450 HydrophobicContact CB-CZ 3.76Å; R405-F450 WeakPolarHBondContact O-CZ 3.32Å; R405-Q456 PolarHBondContact N-O 2.88Å; R405-D472 PolarHBondContact NE-O 3.33Å; R405-D472 PolarHBondContact NH2-O 2.84Å
406	I	94.4	Very high	91.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.9	178.2	-52.3	-179.2	0	0	0	108.8	L397 V398 K403 K404 F450 Q456 I457 L458 C475 V477	L397-I406 HydrophobicContact CB-CD1 3.95Å; V398-I406 HydrophobicContact CG2-CD1 3.62Å; K403-I406 HydrophobicContact CB-CD1 3.87Å; K403-I406 HydrophobicContact CB-CG1 4.1Å; K404-I406 PolarHBondContact O-N 2.78Å; I406-F450 WeakPolarHBondContact O-CE2 3.28Å; I406-Q456 PolarHBondContact N-O 2.66Å; I406-I457 HydrophobicContact CB-CG1 4.29Å; I406-I457 HydrophobicContact CD1-CG1 4.37Å; I406-I457 CarbonylContact O-C 3.55Å; I406-I457 WeakPolarHBondContact O-CA 3.4Å; I406-L458 PolarHBondContact O-N 3.44Å; I406-C475 CarbonylContact C-O 3.55Å; I406-C475 WeakPolarHBondContact CA-O 3.45Å; I406-C475 HydrophobicContact CG1-CB 4.15Å; I406-C475 HydrophobicContact CG2-CB 4.42Å; I406-V477 HydrophobicContact CG2-CB 4.41Å; I406-V477 HydrophobicContact CG2-CG2 3.61Å
407	L	94.1	Very high	91.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.5	171.8	-174.3	65.8	0	0	0	109.3	F409 L458 C460 I470 V473 C475 V476 V477 R494	L407-F409 HydrophobicContact CD2-CE2 3.66Å; L407-F409 HydrophobicContact CD2-CZ 3.83Å; L407-F409 HydrophobicContact CG-CD2 4.46Å; L407-F409 HydrophobicContact CG-CE2 3.87Å; L407-F409 HydrophobicContact CG-CZ 4.32Å; L407-L458 HydrophobicContact CD1-CB 4.11Å; L407-L458 HydrophobicContact CD1-CD2 3.92Å; L407-L458 HydrophobicContact CD1-CG 4.14Å; L407-C460 VanDerWaalsContact CD1-SG 3.59Å; L407-I470 HydrophobicContact CD1-CD1 3.97Å; L407-I470 HydrophobicContact CD2-CD1 4.35Å; L407-V473 HydrophobicContact CB-CG1 3.74Å; L407-C475 PolarHBondContact N-O 3.04Å; L407-V476 HydrophobicContact CB-CG2 4.43Å; L407-V476 CarbonylContact O-C 3.59Å; L407-V476 WeakPolarHBondContact O-CA 3.37Å; L407-V477 PolarHBondContact O-N 3.45Å; L407-R494 HydrophobicContact CD2-CB 3.69Å; L407-R494 HydrophobicContact CD2-CG 3.84Å
408	C	95.1	Very high	91.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.4	-175.2	-172	0	0	0	0	111.1	I457 L458 V459 C460 V477	C408-I457 HydrophobicContact CB-CG2 4.08Å; C408-L458 PolarHBondContact N-O 3.47Å; C408-V459 HydrophobicContact CB-CG2 4.26Å; C408-V459 CarbonylContact O-C 3.56Å; C408-V459 WeakPolarHBondContact O-CA 3.37Å; C408-C460 PolarHBondContact O-N 3.02Å; C408-V477 CarbonylContact C-O 3.56Å; C408-V477 WeakPolarHBondContact CA-O 3.32Å
409	F	94.8	Very high	91.7	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.6	-178.9	-75.1	-90.4	0	0	0	112.1	L407 C460 A465 V476 V477 Y479 D480 R491 R494	L407-F409 HydrophobicContact CD2-CE2 3.66Å; L407-F409 HydrophobicContact CD2-CZ 3.83Å; L407-F409 HydrophobicContact CG-CD2 4.46Å; L407-F409 HydrophobicContact CG-CE2 3.87Å; L407-F409 HydrophobicContact CG-CZ 4.32Å; F409-C460 WeakPolarHBondContact CA-O 3.44Å; F409-A465 HydrophobicContact CD1-CB 4.23Å; F409-A465 HydrophobicContact CE1-CB 3.21Å; F409-A465 HydrophobicContact CZ-CB 3.65Å; F409-V476 HydrophobicContact CD2-CG1 3.83Å; F409-V476 HydrophobicContact CE2-CG1 3.72Å; F409-V477 PolarHBondContact N-O 2.79Å; F409-Y479 VanDerWaalsContact O-CB 3.31Å; F409-Y479 WeakPolarHBondContact O-CB 3.32Å; F409-Y479 PolarHBondContact O-N 3.34Å; F409-D480 PolarHBondContact O-N 3.17Å; F409-R491 HydrophobicContact CB-CG 4.46Å; F409-R491 HydrophobicContact CD1-CG 3.75Å; F409-R491 HydrophobicContact CD2-CB 4.03Å; F409-R491 HydrophobicContact CD2-CG 3.93Å; F409-R491 HydrophobicContact CE1-CB 4.46Å; F409-R491 HydrophobicContact CE1-CG 3.78Å; F409-R491 HydrophobicContact CE2-CB 3.87Å; F409-R491 HydrophobicContact CE2-CG 4Å; F409-R491 HydrophobicContact CG-CB 4.41Å; F409-R491 HydrophobicContact CG-CG 3.81Å; F409-R491 HydrophobicContact CZ-CB 4.1Å; F409-R491 HydrophobicContact CZ-CG 3.92Å; F409-R494 HydrophobicContact CE2-CG 4.32Å; F409-R494 HydrophobicContact CZ-CG 3.9Å
410	A	94	Very high	91.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	151.5	167.8	0	0	0	0	0	110.5	C415 A416 C460 T461	A410-C415 HydrophobicContact CB-CB 4.12Å; A410-A416 HydrophobicContact CB-CB 3.98Å; A410-C460 PolarHBondContact N-O 3.32Å; A410-T461 WeakPolarHBondContact O-CA 3.17Å
411	N	91	Very high	91.8	Very high	68 Å²	68	54.4 Å²	54.4	36%	0.364	26%	0.257	S	S	.	.	S	Bend	trans	-75.1	-31.1	-175.7	-73.3	-1.9	0	0	0	112.4	D480 V481 R491	N411-D480 HydrophobicContact CB-CB 4.06Å; N411-D480 VanDerWaalsContact CG-CB 3.46Å; N411-D480 PolarHBondContact N-OD2 3.42Å; N411-D480 WeakPolarHBondContact OD1-CB 3.31Å; N411-V481 PolarHBondContact ND2-O 3.38Å; N411-V481 PolarHBondContact OD1-O 3.4Å; N411-R491 PolarHBondContact OD1-NH2 2.84Å
412	T	91.4	Very high	91.9	Very high	73 Å²	73	50 Å²	50	45%	0.448	24%	0.239	S	C	.	.	S	Bend	trans	-119.5	153.8	-178.7	69.6	0	0	0	0	112.4	D414 C415 A416	T412-D414 VanDerWaalsContact C-N 3.3Å; T412-D414 PolarHBondContact O-N 2.96Å; T412-C415 PolarHBondContact O-N 2.81Å; T412-C415 WeakPolarHBondContact OG1-CB 3.37Å; T412-C415 PolarHBondContact OG1-N 3.45Å; T412-C415 VanDerWaalsContact OG1-N 3.11Å; T412-A416 PolarHBondContact O-N 2.94Å; T412-A416 VanDerWaalsContact O-N 3.09Å
413	V	90.4	Very high	92	Very high	47 Å²	47	43.4 Å²	43.4	29%	0.285	21%	0.208	S	C	.	.	H	α-helix	trans	-63	-39.5	177.6	179	0	0	0	0	110.3	A416 K417 F433 T461	V413-A416 PolarHBondContact O-N 2.81Å; V413-K417 WeakPolarHBondContact O-CB 2.99Å; V413-K417 PolarHBondContact O-N 3.36Å; V413-F433 HydrophobicContact CG1-CE1 4.48Å; V413-F433 HydrophobicContact CG1-CZ 3.75Å; V413-T461 HydrophobicContact CG2-CG2 4.05Å
414	D	90.3	Very high	91.9	Very high	98 Å²	98	44.7 Å²	44.7	52%	0.524	23%	0.225	S	C	.	.	H	α-helix	trans	-66.1	-46.6	177.2	-61.9	-49.1	0	0	0	111.8	T412 A416 K417 R418	T412-D414 VanDerWaalsContact C-N 3.3Å; T412-D414 PolarHBondContact O-N 2.96Å; D414-A416 VanDerWaalsContact C-N 3.28Å; D414-A416 PolarHBondContact O-N 3.16Å; D414-K417 PolarHBondContact O-N 3.43Å; D414-K417 VanDerWaalsContact O-N 3.13Å; D414-R418 WeakPolarHBondContact O-CB 3.47Å; D414-R418 WeakPolarHBondContact O-CG 3.31Å; D414-R418 PolarHBondContact O-N 2.8Å
415	C	91.4	Very high	91.7	Very high	28 Å²	28	40.5 Å²	40.5	19%	0.189	21%	0.212	C	C	.	.	H	α-helix	trans	-56	-45.9	176	-176.5	0	0	0	0	110.8	A410 T412 K417 R418 L419 D480	A410-C415 HydrophobicContact CB-CB 4.12Å; T412-C415 PolarHBondContact O-N 2.81Å; T412-C415 WeakPolarHBondContact OG1-CB 3.37Å; T412-C415 PolarHBondContact OG1-N 3.45Å; T412-C415 VanDerWaalsContact OG1-N 3.11Å; C415-K417 PolarHBondContact O-N 2.84Å; C415-R418 PolarHBondContact O-N 3.41Å; C415-L419 VanDerWaalsContact O-CB 3.22Å; C415-L419 WeakPolarHBondContact O-CB 3.49Å; C415-L419 PolarHBondContact O-N 3.3Å; C415-D480 PolarHBondContact SG-OD2 3.2Å; C415-D480 VanDerWaalsContact SG-OD2 3.38Å
416	A	92.7	Very high	91.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-41.8	176.9	0	0	0	0	0	113.2	A410 T412 V413 D414 N420 F433 V459 T461	A410-A416 HydrophobicContact CB-CB 3.98Å; T412-A416 PolarHBondContact O-N 2.94Å; T412-A416 VanDerWaalsContact O-N 3.09Å; V413-A416 PolarHBondContact O-N 2.81Å; D414-A416 VanDerWaalsContact C-N 3.28Å; D414-A416 PolarHBondContact O-N 3.16Å; A416-N420 WeakPolarHBondContact O-CB 3.32Å; A416-N420 PolarHBondContact O-N 3.2Å; A416-F433 HydrophobicContact CB-CD2 3.61Å; A416-F433 HydrophobicContact CB-CE2 3.24Å; A416-F433 HydrophobicContact CB-CZ 4.21Å; A416-V459 HydrophobicContact CB-CG1 3.76Å; A416-T461 HydrophobicContact CB-CG2 4.39Å
417	K	91.5	Very high	91	Very high	103 Å²	103	46 Å²	46	45%	0.448	24%	0.238	S	C	.	.	H	α-helix	trans	-64.7	-48.9	176.6	-173.1	-176	178.5	-175.1	0	111.3	V413 D414 C415 N420 M421 F433	V413-K417 WeakPolarHBondContact O-CB 2.99Å; V413-K417 PolarHBondContact O-N 3.36Å; D414-K417 PolarHBondContact O-N 3.43Å; D414-K417 VanDerWaalsContact O-N 3.13Å; C415-K417 PolarHBondContact O-N 2.84Å; K417-N420 PolarHBondContact O-N 2.6Å; K417-M421 HydrophobicContact CG-CE 4.19Å; K417-M421 WeakPolarHBondContact O-CG 3.22Å; K417-M421 PolarHBondContact O-N 3.4Å; K417-F433 HydrophobicContact CB-CD1 4.39Å; K417-F433 HydrophobicContact CB-CE1 4.14Å; K417-F433 HydrophobicContact CB-CZ 4.37Å
418	R	90.8	Very high	90.5	Very high	149 Å²	149	49.2 Å²	49.2	56%	0.562	27%	0.272	S	S	*	.	H	α-helix	trans	-58.8	-48.4	177.7	-65.4	-175.7	-176.6	167.6	1.3	111.3	D414 C415 N420 M421 L422 Y552	D414-R418 WeakPolarHBondContact O-CB 3.47Å; D414-R418 WeakPolarHBondContact O-CG 3.31Å; D414-R418 PolarHBondContact O-N 2.8Å; C415-R418 PolarHBondContact O-N 3.41Å; R418-N420 VanDerWaalsContact C-N 3.35Å; R418-N420 PolarHBondContact O-N 2.9Å; R418-M421 PolarHBondContact O-N 3.34Å; R418-L422 PolarHBondContact O-N 3.08Å; R418-Y552 VanDerWaalsContact CB-OH 3.26Å; R418-Y552 WeakPolarHBondContact CB-OH 3.4Å; R418-Y552 WeakPolarHBondContact CG-OH 3.18Å
419	L	92.9	Very high	90.3	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-43.9	176.9	-179.8	59.7	0	0	0	112	V391 L394 C415 L422 L423 V459 Y479	V391-L419 HydrophobicContact CG1-CD1 4.43Å; V391-L419 HydrophobicContact CG2-CD1 3.93Å; L394-L419 HydrophobicContact CD1-CD1 4.05Å; L394-L419 HydrophobicContact CD1-CD2 4.07Å; L394-L419 HydrophobicContact CD1-CG 4.44Å; C415-L419 VanDerWaalsContact O-CB 3.22Å; C415-L419 WeakPolarHBondContact O-CB 3.49Å; C415-L419 PolarHBondContact O-N 3.3Å; L419-L422 PolarHBondContact O-N 3.36Å; L419-L423 HydrophobicContact CD1-CD1 4.09Å; L419-L423 HydrophobicContact CD1-CG 4.17Å; L419-L423 HydrophobicContact CG-CD1 3.93Å; L419-L423 HydrophobicContact CG-CG 4.44Å; L419-L423 WeakPolarHBondContact O-CB 3.15Å; L419-L423 VanDerWaalsContact O-CG 3.3Å; L419-L423 WeakPolarHBondContact O-CG 3.26Å; L419-L423 PolarHBondContact O-N 3.19Å; L419-V459 HydrophobicContact CD2-CG1 3.95Å; L419-V459 HydrophobicContact CD2-CG2 4.41Å; L419-V459 HydrophobicContact CG-CG1 4.48Å; L419-V459 HydrophobicContact CG-CG2 4.49Å; L419-Y479 HydrophobicContact CD1-CD2 4.22Å; L419-Y479 HydrophobicContact CD1-CE2 3.73Å; L419-Y479 HydrophobicContact CD2-CD1 4.16Å; L419-Y479 HydrophobicContact CD2-CD2 3.72Å; L419-Y479 HydrophobicContact CD2-CE1 4.46Å; L419-Y479 HydrophobicContact CD2-CE2 4.04Å; L419-Y479 HydrophobicContact CD2-CG 3.78Å
420	N	93.2	Very high	90.2	Very high	28 Å²	28	56.1 Å²	56.1	15%	0.15	30%	0.302	C	S	.	.	H	α-helix	trans	-66.2	-38.5	177.8	178.1	73.1	0	0	0	112.9	A416 K417 R418 L422 L423 A424 S431 K432 F433 V459	A416-N420 WeakPolarHBondContact O-CB 3.32Å; A416-N420 PolarHBondContact O-N 3.2Å; K417-N420 PolarHBondContact O-N 2.6Å; R418-N420 VanDerWaalsContact C-N 3.35Å; R418-N420 PolarHBondContact O-N 2.9Å; N420-L422 VanDerWaalsContact C-N 3.32Å; N420-L423 PolarHBondContact O-N 3.49Å; N420-A424 VanDerWaalsContact O-CB 3.28Å; N420-A424 WeakPolarHBondContact O-CB 3.36Å; N420-A424 PolarHBondContact O-N 2.87Å; N420-S431 PolarHBondContact O-OG 2.93Å; N420-S431 WeakPolarHBondContact OD1-CB 3.44Å; N420-S431 PolarHBondContact OD1-O 2.88Å; N420-S431 PolarHBondContact OD1-OG 3.49Å; N420-K432 VanDerWaalsContact OD1-CA 3.26Å; N420-K432 WeakPolarHBondContact OD1-CA 3.22Å; N420-K432 PolarHBondContact OD1-N 2.86Å; N420-F433 HydrophobicContact CB-CB 3.7Å; N420-F433 PolarHBondContact OD1-N 2.81Å; N420-V459 HydrophobicContact CB-CG2 4.37Å
421	M	88.9	Confident	90.2	Very high	62 Å²	62	56.7 Å²	56.7	31%	0.305	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-41.6	175.5	-71.9	-170.3	-69	0	0	111.3	K417 R418 A424 Y552	K417-M421 HydrophobicContact CG-CE 4.19Å; K417-M421 WeakPolarHBondContact O-CG 3.22Å; K417-M421 PolarHBondContact O-N 3.4Å; R418-M421 PolarHBondContact O-N 3.34Å; M421-A424 PolarHBondContact O-N 3.21Å; M421-Y552 HydrophobicContact CB-CD2 3.88Å; M421-Y552 HydrophobicContact CB-CE2 3.69Å; M421-Y552 HydrophobicContact CE-CE2 3.59Å; M421-Y552 HydrophobicContact SD-CE2 4.29Å
422	L	90.6	Very high	90.3	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.084	31%	0.31	C	S	.	.	H	α-helix	trans	-71.6	-35.6	178	-173.6	61.1	0	0	0	113	V391 R418 L419 N420 S425 F426 Y545 A548	V391-L422 HydrophobicContact CB-CD2 4.36Å; V391-L422 HydrophobicContact CG1-CD2 3.99Å; V391-L422 HydrophobicContact CG1-CG 4.15Å; V391-L422 HydrophobicContact CG2-CD2 3.73Å; R418-L422 PolarHBondContact O-N 3.08Å; L419-L422 PolarHBondContact O-N 3.36Å; N420-L422 VanDerWaalsContact C-N 3.32Å; L422-S425 PolarHBondContact O-OG 3.03Å; L422-F426 WeakPolarHBondContact O-CD2 3.48Å; L422-Y545 HydrophobicContact CD2-CE2 4.07Å; L422-A548 HydrophobicContact CD1-CB 4.07Å
423	L	91.9	Very high	90.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69.6	-34.3	174.2	-74	169.8	0	0	0	112.2	V391 L394 V395 L419 N420 S425 F426 S431 I457 V459	V391-L423 HydrophobicContact CG1-CD2 4.11Å; L394-L423 HydrophobicContact CB-CD2 4.13Å; L394-L423 HydrophobicContact CD1-CD1 3.96Å; L394-L423 HydrophobicContact CD1-CD2 4.29Å; V395-L423 HydrophobicContact CG2-CD2 4.5Å; L419-L423 HydrophobicContact CD1-CD1 4.09Å; L419-L423 HydrophobicContact CD1-CG 4.17Å; L419-L423 HydrophobicContact CG-CD1 3.93Å; L419-L423 HydrophobicContact CG-CG 4.44Å; L419-L423 WeakPolarHBondContact O-CB 3.15Å; L419-L423 VanDerWaalsContact O-CG 3.3Å; L419-L423 WeakPolarHBondContact O-CG 3.26Å; L419-L423 PolarHBondContact O-N 3.19Å; N420-L423 PolarHBondContact O-N 3.49Å; L423-S425 PolarHBondContact O-N 3.11Å; L423-F426 PolarHBondContact O-N 2.72Å; L423-S431 WeakPolarHBondContact CB-OG 3.15Å; L423-I457 HydrophobicContact CD1-CD1 4.15Å; L423-I457 HydrophobicContact CD1-CG2 4.16Å; L423-I457 HydrophobicContact CD2-CD1 4.24Å; L423-V459 HydrophobicContact CD1-CG2 4.12Å
424	A	89	Confident	90.3	Very high	61 Å²	61	54.3 Å²	54.3	50%	0.504	28%	0.282	S	S	.	.	H	α-helix	trans	-68.3	-20	179.8	0	0	0	0	0	113.5	N420 M421	N420-A424 VanDerWaalsContact O-CB 3.28Å; N420-A424 WeakPolarHBondContact O-CB 3.36Å; N420-A424 PolarHBondContact O-N 2.87Å; M421-A424 PolarHBondContact O-N 3.21Å
425	S	86.1	Confident	90.2	Very high	44 Å²	44	49.9 Å²	49.9	31%	0.308	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.8	176	59.9	0	0	0	0	113.8	L422 L423 A548	L422-S425 PolarHBondContact O-OG 3.03Å; L423-S425 PolarHBondContact O-N 3.11Å; S425-A548 WeakPolarHBondContact OG-CB 3.19Å
426	F	87.4	Confident	89.5	Confident	5 Å²	5	51.9 Å²	51.9	2%	0.022	27%	0.273	C	S	.	.	S	Bend	trans	-76.4	133	172.3	-76.3	-90.5	0	0	0	111.4	V391 L392 V395 L422 L423 G428 I429 E544 Y545 A548	V391-F426 HydrophobicContact CG1-CE2 4.02Å; L392-F426 HydrophobicContact CD2-CZ 4.37Å; V395-F426 HydrophobicContact CG1-CD1 4.4Å; V395-F426 HydrophobicContact CG2-CD1 3.96Å; V395-F426 HydrophobicContact CG2-CD2 4.16Å; V395-F426 HydrophobicContact CG2-CE1 3.87Å; V395-F426 HydrophobicContact CG2-CE2 4.06Å; V395-F426 HydrophobicContact CG2-CG 4.09Å; V395-F426 HydrophobicContact CG2-CZ 3.89Å; L422-F426 WeakPolarHBondContact O-CD2 3.48Å; L423-F426 PolarHBondContact O-N 2.72Å; F426-G428 PolarHBondContact O-N 3.48Å; F426-I429 HydrophobicContact CB-CB 4.33Å; F426-I429 HydrophobicContact CB-CD1 3.9Å; F426-I429 HydrophobicContact CB-CG1 4.29Å; F426-I429 HydrophobicContact CG-CD1 4.42Å; F426-I429 PolarHBondContact O-N 3.2Å; F426-E544 HydrophobicContact CD1-CB 4.47Å; F426-E544 HydrophobicContact CD1-CG 3.79Å; F426-E544 HydrophobicContact CE1-CB 4.32Å; F426-E544 HydrophobicContact CE1-CG 4.09Å; F426-Y545 HydrophobicContact CE2-CD2 4.27Å; F426-Y545 AromaticContact CZ-CD2 3.74Å; F426-Y545 HydrophobicContact CZ-CD2 3.74Å; F426-Y545 HydrophobicContact CZ-CG 4.32Å; F426-A548 HydrophobicContact CD2-CB 4.4Å; F426-A548 HydrophobicContact CE2-CB 4.1Å; F426-A548 HydrophobicContact CZ-CB 4.35Å
427	K	83.6	Confident	88.9	Confident	175 Å²	175	59.5 Å²	59.5	76%	0.761	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	129.8	-179.4	-68.3	-175.9	179.9	-179.7	0	110.7	R399 I429 E544	R399-K427 PolarHBondContact NH2-O 2.72Å; K427-I429 VanDerWaalsContact C-N 3.32Å; K427-I429 PolarHBondContact O-N 2.91Å; K427-E544 PolarHBondContact N-OE1 3.41Å
428	G	84.2	Confident	88.5	Confident	69 Å²	69	56.6 Å²	56.6	71%	0.711	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	1.1	175.3	0	0	0	0	0	115.9	F426 Q456	F426-G428 PolarHBondContact O-N 3.48Å; G428-Q456 PolarHBondContact O-OE1 2.85Å
429	I	89.9	Confident	88.1	Confident	10 Å²	10	55.3 Å²	55.3	5%	0.051	30%	0.298	C	S	.	.			trans	-97.7	121.5	172.8	-63.2	-179.3	0	0	0	109.4	V395 V398 F426 K427 I457	V395-I429 HydrophobicContact CB-CD1 4.07Å; V395-I429 HydrophobicContact CG1-CD1 3.99Å; V395-I429 HydrophobicContact CG2-CD1 3.72Å; V398-I429 HydrophobicContact CG1-CG1 4.37Å; F426-I429 HydrophobicContact CB-CB 4.33Å; F426-I429 HydrophobicContact CB-CD1 3.9Å; F426-I429 HydrophobicContact CB-CG1 4.29Å; F426-I429 HydrophobicContact CG-CD1 4.42Å; F426-I429 PolarHBondContact O-N 3.2Å; K427-I429 VanDerWaalsContact C-N 3.32Å; K427-I429 PolarHBondContact O-N 2.91Å; I429-I457 HydrophobicContact CG2-CD1 3.82Å; I429-I457 HydrophobicContact CG2-CG1 4.45Å
430	K	92.4	Very high	87.4	Confident	137 Å²	137	56.8 Å²	56.8	60%	0.596	31%	0.308	S	S	*	.			trans	-101.3	99.3	175	-66.7	-177.8	-178.3	179.3	0	109.7	Q454 Q456 I457	K430-Q454 WeakPolarHBondContact CD-O 3.4Å; K430-Q456 VanDerWaalsContact N-OE1 3.08Å; K430-Q456 PolarHBondContact O-N 3.02Å; K430-I457 PolarHBondContact O-N 3.39Å; K430-I457 VanDerWaalsContact O-N 3.17Å
431	S	93.8	Very high	86.8	Confident	11 Å²	11	60 Å²	60	8%	0.077	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	148.7	174.2	68.5	0	0	0	0	112.8	N420 L423 I457	N420-S431 PolarHBondContact O-OG 2.93Å; N420-S431 WeakPolarHBondContact OD1-CB 3.44Å; N420-S431 PolarHBondContact OD1-O 2.88Å; N420-S431 PolarHBondContact OD1-OG 3.49Å; L423-S431 WeakPolarHBondContact CB-OG 3.15Å; S431-I457 CarbonylContact C-O 3.49Å; S431-I457 WeakPolarHBondContact CA-O 3.47Å
432	K	93.6	Very high	86.7	Confident	103 Å²	103	62.6 Å²	62.6	45%	0.448	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.2	168.1	-68.1	-65.6	-179.6	-173.6	0	110.3	N420 I446 I457 L458 V459	N420-K432 VanDerWaalsContact OD1-CA 3.26Å; N420-K432 WeakPolarHBondContact OD1-CA 3.22Å; N420-K432 PolarHBondContact OD1-N 2.86Å; K432-I446 HydrophobicContact CB-CG2 3.9Å; K432-I457 PolarHBondContact N-O 3.06Å; K432-L458 HydrophobicContact CB-CD1 4.31Å; K432-L458 WeakPolarHBondContact O-CA 3.31Å; K432-V459 PolarHBondContact O-N 3.21Å
433	F	92.3	Very high	86.4	Confident	34 Å²	34	62.6 Å²	62.6	15%	0.149	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.2	174.6	167.4	-121.2	0	0	0	110.7	V413 A416 K417 N420 S435 V459	V413-F433 HydrophobicContact CG1-CE1 4.48Å; V413-F433 HydrophobicContact CG1-CZ 3.75Å; A416-F433 HydrophobicContact CB-CD2 3.61Å; A416-F433 HydrophobicContact CB-CE2 3.24Å; A416-F433 HydrophobicContact CB-CZ 4.21Å; K417-F433 HydrophobicContact CB-CD1 4.39Å; K417-F433 HydrophobicContact CB-CE1 4.14Å; K417-F433 HydrophobicContact CB-CZ 4.37Å; N420-F433 HydrophobicContact CB-CB 3.7Å; N420-F433 PolarHBondContact OD1-N 2.81Å; F433-S435 VanDerWaalsContact CZ-CB 3.5Å; F433-V459 WeakPolarHBondContact CA-O 3.32Å; F433-V459 WeakPolarHBondContact CD2-O 3.39Å
434	L	90.3	Very high	86	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.6	177.3	-168.8	65.6	0	0	0	110.8	R443 I446 L447 L458 V459 C460 M464 I468	L434-R443 HydrophobicContact CD1-CB 3.88Å; L434-R443 HydrophobicContact CD1-CG 3.95Å; L434-I446 HydrophobicContact CD1-CB 4.45Å; L434-I446 HydrophobicContact CD1-CG2 4.36Å; L434-L447 HydrophobicContact CD2-CD2 3.72Å; L434-L447 HydrophobicContact CD2-CG 4.25Å; L434-L458 HydrophobicContact CB-CD1 4.04Å; L434-L458 HydrophobicContact CD2-CD2 4.36Å; L434-V459 PolarHBondContact N-O 3.42Å; L434-C460 HydrophobicContact CB-CB 4.31Å; L434-M464 HydrophobicContact CB-CG 4.5Å; L434-M464 HydrophobicContact CD1-CE 3.8Å; L434-M464 HydrophobicContact CD2-CE 3.57Å; L434-M464 HydrophobicContact CD2-CG 4Å; L434-M464 HydrophobicContact CG-CE 3.47Å; L434-M464 VanDerWaalsContact CG-CE 3.47Å; L434-M464 HydrophobicContact CG-CG 3.83Å; L434-M464 HydrophobicContact CG-SD 4.48Å; L434-I468 HydrophobicContact CD2-CD1 3.67Å
435	S	86.8	Confident	86	Confident	6 Å²	6	71.7 Å²	71.7	4%	0.042	36%	0.358	C	S	.	.			trans	-131.6	153.6	-179.3	-178	0	0	0	0	111.3	F433 H437 L438 R443	F433-S435 VanDerWaalsContact CZ-CB 3.5Å; S435-H437 PolarHBondContact O-N 2.89Å; S435-H437 PolarHBondContact OG-CD2 2.96Å; S435-H437 PolarHBondContact OG-N 3.25Å; S435-L438 PolarHBondContact O-N 2.74Å; S435-R443 VanDerWaalsContact O-CD 3.28Å; S435-R443 WeakPolarHBondContact O-CD 2.98Å
436	S	78.6	Confident	86.2	Confident	69 Å²	69	70.3 Å²	70.3	48%	0.483	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.3	171	51	0	0	0	0	113.2	L438	S436-L438 VanDerWaalsContact C-N 3.26Å; S436-L438 PolarHBondContact O-N 3.25Å
437	H	79.5	Confident	86.2	Confident	160 Å²	160	71 Å²	71	74%	0.741	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-11.6	178.1	-59.1	-66.6	0	0	0	113.8	S435	S435-H437 PolarHBondContact O-N 2.89Å; S435-H437 PolarHBondContact OG-CD2 2.96Å; S435-H437 PolarHBondContact OG-N 3.25Å
438	L	83.5	Confident	86.3	Confident	42 Å²	42	66.4 Å²	66.4	22%	0.22	34%	0.335	C	S	.	.	S	Bend	trans	-77.5	140.3	176.8	-65.4	174.9	0	0	0	110.3	S435 S436 K442 R443 I446	S435-L438 PolarHBondContact O-N 2.74Å; S436-L438 VanDerWaalsContact C-N 3.26Å; S436-L438 PolarHBondContact O-N 3.25Å; L438-K442 HydrophobicContact CD2-CD 4.21Å; L438-R443 HydrophobicContact CB-CG 3.59Å; L438-R443 VanDerWaalsContact O-CD 3.22Å; L438-R443 WeakPolarHBondContact O-CD 3.39Å; L438-R443 PolarHBondContact O-NE 2.69Å; L438-I446 HydrophobicContact CD1-CD1 3.94Å
439	H	81.3	Confident	86.6	Confident	122 Å²	122	66 Å²	66	57%	0.565	32%	0.316	S	S	*	.			trans	-53.7	138	173.8	-165.2	-94.6	0	0	0	111.1	D441 K442 R443	H439-D441 VanDerWaalsContact C-N 3.28Å; H439-D441 IonicContact CE1-OD2 3.4Å; H439-D441 PolarHBondContact CE1-OD2 3.25Å; H439-D441 IonicContact ND1-OD2 2.72Å; H439-D441 PolarHBondContact ND1-OD2 3.13Å; H439-D441 PolarHBondContact O-N 3.13Å; H439-D441 VanDerWaalsContact O-N 3.14Å; H439-K442 WeakPolarHBondContact O-CB 3.29Å; H439-K442 PolarHBondContact O-N 3.43Å; H439-R443 PolarHBondContact O-N 3.08Å; H439-R443 VanDerWaalsContact O-N 3.08Å
440	P	77.8	Confident	86.7	Confident	38 Å²	38	65.6 Å²	65.6	25%	0.247	31%	0.314	C	S	.	.	H	α-helix	trans	-47.1	-44	-177.5	-30.1	34.5	0	0	0	114.8	K442 R443 Q444	P440-K442 VanDerWaalsContact C-N 3.34Å; P440-K442 PolarHBondContact O-N 3.05Å; P440-R443 WeakPolarHBondContact O-CB 3.44Å; P440-R443 PolarHBondContact O-N 3.35Å; P440-R443 VanDerWaalsContact O-N 3.15Å; P440-Q444 PolarHBondContact O-N 3.36Å
441	D	80.9	Confident	86.4	Confident	95 Å²	95	61.4 Å²	61.4	51%	0.508	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-39.1	179.8	-54.4	-34.3	0	0	0	112.5	H439 R443 Q444 R445	H439-D441 VanDerWaalsContact C-N 3.28Å; H439-D441 IonicContact CE1-OD2 3.4Å; H439-D441 PolarHBondContact CE1-OD2 3.25Å; H439-D441 IonicContact ND1-OD2 2.72Å; H439-D441 PolarHBondContact ND1-OD2 3.13Å; H439-D441 PolarHBondContact O-N 3.13Å; H439-D441 VanDerWaalsContact O-N 3.14Å; D441-R443 VanDerWaalsContact C-N 3.33Å; D441-Q444 PolarHBondContact O-N 3.4Å; D441-R445 VanDerWaalsContact O-CG 3.28Å; D441-R445 WeakPolarHBondContact O-CG 3.44Å; D441-R445 PolarHBondContact O-N 3.24Å
442	K	87.3	Confident	86.1	Confident	116 Å²	116	65.9 Å²	65.9	50%	0.504	33%	0.328	S	S	.	.	H	α-helix	trans	-67.6	-37.4	176.5	-171.5	171.2	179	177.5	0	110.7	L438 H439 P440 R445 I446	L438-K442 HydrophobicContact CD2-CD 4.21Å; H439-K442 WeakPolarHBondContact O-CB 3.29Å; H439-K442 PolarHBondContact O-N 3.43Å; P440-K442 VanDerWaalsContact C-N 3.34Å; P440-K442 PolarHBondContact O-N 3.05Å; K442-R445 PolarHBondContact O-N 3.37Å; K442-I446 HydrophobicContact CG-CD1 4.37Å; K442-I446 WeakPolarHBondContact O-CG1 3.47Å; K442-I446 PolarHBondContact O-N 3.29Å
443	R	85.2	Confident	85.7	Confident	16 Å²	16	62.6 Å²	62.6	6%	0.06	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-48.2	174.1	-61.7	-174.9	-52.5	150.6	1.9	110.8	D144 L434 S435 L438 H439 P440 D441 R445 I446 L447 M464	D144-R443 VanDerWaalsContact CG-NH1 3.35Å; D144-R443 VanDerWaalsContact CG-NH2 3.3Å; D144-R443 IonicContact OD1-CZ 3.02Å; D144-R443 IonicContact OD1-NH1 3.31Å; D144-R443 PolarHBondContact OD1-NH1 2.78Å; D144-R443 IonicContact OD1-NH2 3.19Å; D144-R443 PolarHBondContact OD1-NH2 2.95Å; D144-R443 IonicContact OD2-CZ 3.26Å; D144-R443 IonicContact OD2-NH1 3.75Å; D144-R443 PolarHBondContact OD2-NH1 3.09Å; D144-R443 IonicContact OD2-NH2 3.87Å; D144-R443 PolarHBondContact OD2-NH2 3.11Å; D144-R443 VanDerWaalsContact OD2-NH2 3.14Å; L434-R443 HydrophobicContact CD1-CB 3.88Å; L434-R443 HydrophobicContact CD1-CG 3.95Å; S435-R443 VanDerWaalsContact O-CD 3.28Å; S435-R443 WeakPolarHBondContact O-CD 2.98Å; L438-R443 HydrophobicContact CB-CG 3.59Å; L438-R443 VanDerWaalsContact O-CD 3.22Å; L438-R443 WeakPolarHBondContact O-CD 3.39Å; L438-R443 PolarHBondContact O-NE 2.69Å; H439-R443 PolarHBondContact O-N 3.08Å; H439-R443 VanDerWaalsContact O-N 3.08Å; P440-R443 WeakPolarHBondContact O-CB 3.44Å; P440-R443 PolarHBondContact O-N 3.35Å; P440-R443 VanDerWaalsContact O-N 3.15Å; D441-R443 VanDerWaalsContact C-N 3.33Å; R443-R445 VanDerWaalsContact C-N 3.34Å; R443-R445 PolarHBondContact O-N 2.92Å; R443-I446 PolarHBondContact O-N 3.17Å; R443-L447 WeakPolarHBondContact O-CG 3.37Å; R443-L447 PolarHBondContact O-N 3.35Å; R443-M464 HydrophobicContact CB-CE 4.39Å; R443-M464 HydrophobicContact CG-CE 4.27Å
444	Q	82.5	Confident	85.5	Confident	79 Å²	79	66.5 Å²	66.5	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-61.1	-41.6	177.2	-170.7	65.1	43.4	0	0	112	P440 D441 I446 L447 N448	P440-Q444 PolarHBondContact O-N 3.36Å; D441-Q444 PolarHBondContact O-N 3.4Å; Q444-I446 PolarHBondContact O-N 3.45Å; Q444-L447 PolarHBondContact O-N 3.39Å; Q444-N448 PolarHBondContact NE2-OD1 3.08Å; Q444-N448 WeakPolarHBondContact O-CB 3.42Å; Q444-N448 PolarHBondContact O-N 2.86Å; Q444-N448 PolarHBondContact O-OD1 3.31Å
445	R	88.6	Confident	85.4	Confident	174 Å²	174	66.6 Å²	66.6	66%	0.657	34%	0.344	S	S	*	.	H	α-helix	trans	-58.9	-45.8	174.4	-73	173	-172.2	171.1	4	111.8	D441 K442 R443 N448 L449	D441-R445 VanDerWaalsContact O-CG 3.28Å; D441-R445 WeakPolarHBondContact O-CG 3.44Å; D441-R445 PolarHBondContact O-N 3.24Å; K442-R445 PolarHBondContact O-N 3.37Å; R443-R445 VanDerWaalsContact C-N 3.34Å; R443-R445 PolarHBondContact O-N 2.92Å; R445-N448 PolarHBondContact O-N 3.23Å; R445-L449 VanDerWaalsContact O-CG 3.27Å; R445-L449 WeakPolarHBondContact O-CG 3.29Å; R445-L449 PolarHBondContact O-N 3.42Å
446	I	90.1	Very high	85.6	Confident	15 Å²	15	68.9 Å²	68.9	8%	0.077	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-42.4	177.9	-68.2	166.6	0	0	0	111.2	K432 L434 L438 K442 R443 Q444 L449 F450 L458	K432-I446 HydrophobicContact CB-CG2 3.9Å; L434-I446 HydrophobicContact CD1-CB 4.45Å; L434-I446 HydrophobicContact CD1-CG2 4.36Å; L438-I446 HydrophobicContact CD1-CD1 3.94Å; K442-I446 HydrophobicContact CG-CD1 4.37Å; K442-I446 WeakPolarHBondContact O-CG1 3.47Å; K442-I446 PolarHBondContact O-N 3.29Å; R443-I446 PolarHBondContact O-N 3.17Å; Q444-I446 PolarHBondContact O-N 3.45Å; I446-L449 PolarHBondContact O-N 3.31Å; I446-F450 PolarHBondContact O-N 3.29Å; I446-L458 HydrophobicContact CG2-CD1 3.61Å
447	L	87.2	Confident	86.4	Confident	20 Å²	20	65.6 Å²	65.6	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-42	176.5	-69.9	173.4	0	0	0	111.8	L434 R443 Q444 F450 S451 L458 I468 I470	L434-L447 HydrophobicContact CD2-CD2 3.72Å; L434-L447 HydrophobicContact CD2-CG 4.25Å; R443-L447 WeakPolarHBondContact O-CG 3.37Å; R443-L447 PolarHBondContact O-N 3.35Å; Q444-L447 PolarHBondContact O-N 3.39Å; L447-F450 PolarHBondContact O-N 3.07Å; L447-S451 PolarHBondContact O-N 3.23Å; L447-S451 PolarHBondContact O-OG 3.4Å; L447-L458 HydrophobicContact CD2-CD2 4.04Å; L447-I468 HydrophobicContact CD1-CD1 4.49Å; L447-I468 HydrophobicContact CD1-CG2 3.73Å; L447-I468 HydrophobicContact CD2-CD1 4.47Å; L447-I468 HydrophobicContact CD2-CG2 3.72Å; L447-I468 HydrophobicContact CG-CG2 4.39Å; L447-I470 HydrophobicContact CD2-CD1 3.96Å; L447-I470 HydrophobicContact CD2-CG1 4.11Å
448	N	87.2	Confident	87.1	Confident	78 Å²	78	58 Å²	58	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-40.9	175.1	-68.1	-2.4	0	0	0	111.8	Q444 R445 F450 S451 V452	Q444-N448 PolarHBondContact NE2-OD1 3.08Å; Q444-N448 WeakPolarHBondContact O-CB 3.42Å; Q444-N448 PolarHBondContact O-N 2.86Å; Q444-N448 PolarHBondContact O-OD1 3.31Å; R445-N448 PolarHBondContact O-N 3.23Å; N448-F450 PolarHBondContact O-N 3.26Å; N448-S451 WeakPolarHBondContact CA-OG 3.2Å; N448-S451 PolarHBondContact O-N 3.23Å; N448-S451 PolarHBondContact O-OG 2.86Å; N448-V452 WeakPolarHBondContact O-CB 3.36Å; N448-V452 VanDerWaalsContact O-CG2 3.23Å; N448-V452 WeakPolarHBondContact O-CG2 3.46Å; N448-V452 PolarHBondContact O-N 2.93Å
449	L	90.6	Very high	87.6	Confident	61 Å²	61	56 Å²	56	32%	0.319	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-33.7	175	-70.3	171	0	0	0	112.3	R445 I446 G453 Q454 C455	R445-L449 VanDerWaalsContact O-CG 3.27Å; R445-L449 WeakPolarHBondContact O-CG 3.29Å; R445-L449 PolarHBondContact O-N 3.42Å; I446-L449 PolarHBondContact O-N 3.31Å; L449-G453 PolarHBondContact O-N 3.44Å; L449-Q454 HydrophobicContact CD2-CB 4.43Å; L449-Q454 PolarHBondContact O-N 2.82Å; L449-C455 PolarHBondContact O-N 3.5Å; L449-C455 VanDerWaalsContact O-N 3.14Å
450	F	90.4	Very high	88.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-76.3	-41.8	176.7	-174.2	-101.7	0	0	0	112.5	R405 I406 I446 L447 N448 G453 C455 L458 I470 V473	R405-F450 HydrophobicContact CB-CE1 4.11Å; R405-F450 HydrophobicContact CB-CE2 4.11Å; R405-F450 HydrophobicContact CB-CZ 3.76Å; R405-F450 WeakPolarHBondContact O-CZ 3.32Å; I406-F450 WeakPolarHBondContact O-CE2 3.28Å; I446-F450 PolarHBondContact O-N 3.29Å; L447-F450 PolarHBondContact O-N 3.07Å; N448-F450 PolarHBondContact O-N 3.26Å; F450-G453 PolarHBondContact O-N 2.94Å; F450-G453 VanDerWaalsContact O-N 3.07Å; F450-C455 HydrophobicContact CB-CB 4.26Å; F450-C455 HydrophobicContact CD2-CB 4.1Å; F450-C455 WeakPolarHBondContact CD2-O 3.36Å; F450-L458 HydrophobicContact CB-CD2 4.38Å; F450-L458 HydrophobicContact CD1-CB 4.48Å; F450-L458 HydrophobicContact CD1-CD2 4.13Å; F450-L458 HydrophobicContact CD2-CB 3.53Å; F450-L458 HydrophobicContact CD2-CD2 4.46Å; F450-L458 HydrophobicContact CE1-CB 4.49Å; F450-L458 HydrophobicContact CE2-CB 3.52Å; F450-L458 HydrophobicContact CG-CB 4Å; F450-L458 HydrophobicContact CG-CD2 4.07Å; F450-L458 HydrophobicContact CZ-CB 4Å; F450-I470 HydrophobicContact CD1-CG2 3.48Å; F450-I470 VanDerWaalsContact CD1-CG2 3.48Å; F450-I470 HydrophobicContact CE1-CG2 3.56Å; F450-V473 HydrophobicContact CE1-CG2 4.26Å
451	S	86.2	Confident	88.8	Confident	49 Å²	49	49 Å²	49	34%	0.343	25%	0.25	S	S	.	.	H	α-helix	trans	-64.5	-40.6	177.1	64.9	0	0	0	0	112.2	L447 N448 G453	L447-S451 PolarHBondContact O-N 3.23Å; L447-S451 PolarHBondContact O-OG 3.4Å; N448-S451 WeakPolarHBondContact CA-OG 3.2Å; N448-S451 PolarHBondContact O-N 3.23Å; N448-S451 PolarHBondContact O-OG 2.86Å; S451-G453 PolarHBondContact O-N 3.4Å
452	V	87.4	Confident	89	Confident	105 Å²	105	45.3 Å²	45.3	64%	0.636	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14	174.9	178.4	0	0	0	0	112.1	N448 Q454	N448-V452 WeakPolarHBondContact O-CB 3.36Å; N448-V452 VanDerWaalsContact O-CG2 3.23Å; N448-V452 WeakPolarHBondContact O-CG2 3.46Å; N448-V452 PolarHBondContact O-N 2.93Å; V452-Q454 HydrophobicContact CG1-CG 4.17Å
453	G	85.6	Confident	88.5	Confident	35 Å²	35	43 Å²	43	36%	0.361	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	11.8	177.7	0	0	0	0	0	115	L449 F450 S451 C455	L449-G453 PolarHBondContact O-N 3.44Å; F450-G453 PolarHBondContact O-N 2.94Å; F450-G453 VanDerWaalsContact O-N 3.07Å; S451-G453 PolarHBondContact O-N 3.4Å; G453-C455 VanDerWaalsContact C-N 3.29Å
454	Q	87.8	Confident	88.3	Confident	115 Å²	115	42.6 Å²	42.6	54%	0.537	23%	0.228	S	C	.	.	S	Bend	trans	-72.7	-25.8	173	-65	-173.3	-1.1	0	0	112.3	K430 L449 V452	K430-Q454 WeakPolarHBondContact CD-O 3.4Å; L449-Q454 HydrophobicContact CD2-CB 4.43Å; L449-Q454 PolarHBondContact O-N 2.82Å; V452-Q454 HydrophobicContact CG1-CG 4.17Å
455	C	88.2	Confident	87.8	Confident	4 Å²	4	39 Å²	39	3%	0.027	21%	0.211	C	C	.	.			trans	-101	124.7	170.6	-173.4	0	0	0	0	109.6	L449 F450 G453 I457	L449-C455 PolarHBondContact O-N 3.5Å; L449-C455 VanDerWaalsContact O-N 3.14Å; F450-C455 HydrophobicContact CB-CB 4.26Å; F450-C455 HydrophobicContact CD2-CB 4.1Å; F450-C455 WeakPolarHBondContact CD2-O 3.36Å; G453-C455 VanDerWaalsContact C-N 3.29Å; C455-I457 PolarHBondContact SG-O 3.06Å
456	Q	92.1	Very high	87	Confident	54 Å²	54	32.6 Å²	32.6	25%	0.252	19%	0.187	S	C	.	.	S	Bend	trans	-84.5	-36.8	179.6	-70.5	166.4	-29.2	0	0	111.8	R405 I406 G428 K430	R405-Q456 PolarHBondContact N-O 2.88Å; I406-Q456 PolarHBondContact N-O 2.66Å; G428-Q456 PolarHBondContact O-OE1 2.85Å; K430-Q456 VanDerWaalsContact N-OE1 3.08Å; K430-Q456 PolarHBondContact O-N 3.02Å
457	I	94.4	Very high	85.7	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.3	-177.7	-51.9	179	0	0	0	110.1	L394 V398 I406 C408 L423 I429 K430 S431 K432 C455 V459	L394-I457 HydrophobicContact CB-CD1 4.35Å; V398-I457 HydrophobicContact CG2-CD1 3.8Å; V398-I457 HydrophobicContact CG2-CG1 3.97Å; I406-I457 HydrophobicContact CB-CG1 4.29Å; I406-I457 HydrophobicContact CD1-CG1 4.37Å; I406-I457 CarbonylContact O-C 3.55Å; I406-I457 WeakPolarHBondContact O-CA 3.4Å; C408-I457 HydrophobicContact CB-CG2 4.08Å; L423-I457 HydrophobicContact CD1-CD1 4.15Å; L423-I457 HydrophobicContact CD1-CG2 4.16Å; L423-I457 HydrophobicContact CD2-CD1 4.24Å; I429-I457 HydrophobicContact CG2-CD1 3.82Å; I429-I457 HydrophobicContact CG2-CG1 4.45Å; K430-I457 PolarHBondContact O-N 3.39Å; K430-I457 VanDerWaalsContact O-N 3.17Å; S431-I457 CarbonylContact C-O 3.49Å; S431-I457 WeakPolarHBondContact CA-O 3.47Å; K432-I457 PolarHBondContact N-O 3.06Å; C455-I457 PolarHBondContact SG-O 3.06Å; I457-V459 HydrophobicContact CG2-CG2 4.07Å
458	L	94.1	Very high	84.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.5	170.3	-175.5	64.9	0	0	0	109.3	I406 L407 C408 K432 L434 I446 L447 F450 I470	I406-L458 PolarHBondContact O-N 3.44Å; L407-L458 HydrophobicContact CD1-CB 4.11Å; L407-L458 HydrophobicContact CD1-CD2 3.92Å; L407-L458 HydrophobicContact CD1-CG 4.14Å; C408-L458 PolarHBondContact N-O 3.47Å; K432-L458 HydrophobicContact CB-CD1 4.31Å; K432-L458 WeakPolarHBondContact O-CA 3.31Å; L434-L458 HydrophobicContact CB-CD1 4.04Å; L434-L458 HydrophobicContact CD2-CD2 4.36Å; I446-L458 HydrophobicContact CG2-CD1 3.61Å; L447-L458 HydrophobicContact CD2-CD2 4.04Å; F450-L458 HydrophobicContact CB-CD2 4.38Å; F450-L458 HydrophobicContact CD1-CB 4.48Å; F450-L458 HydrophobicContact CD1-CD2 4.13Å; F450-L458 HydrophobicContact CD2-CB 3.53Å; F450-L458 HydrophobicContact CD2-CD2 4.46Å; F450-L458 HydrophobicContact CE1-CB 4.49Å; F450-L458 HydrophobicContact CE2-CB 3.52Å; F450-L458 HydrophobicContact CG-CB 4Å; F450-L458 HydrophobicContact CG-CD2 4.07Å; F450-L458 HydrophobicContact CZ-CB 4Å; L458-I470 HydrophobicContact CD2-CD1 3.86Å
459	V	94.8	Very high	84.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.1	177.7	-168.4	0	0	0	0	109.4	C408 A416 L419 N420 L423 K432 F433 L434 I457	C408-V459 HydrophobicContact CB-CG2 4.26Å; C408-V459 CarbonylContact O-C 3.56Å; C408-V459 WeakPolarHBondContact O-CA 3.37Å; A416-V459 HydrophobicContact CB-CG1 3.76Å; L419-V459 HydrophobicContact CD2-CG1 3.95Å; L419-V459 HydrophobicContact CD2-CG2 4.41Å; L419-V459 HydrophobicContact CG-CG1 4.48Å; L419-V459 HydrophobicContact CG-CG2 4.49Å; N420-V459 HydrophobicContact CB-CG2 4.37Å; L423-V459 HydrophobicContact CD1-CG2 4.12Å; K432-V459 PolarHBondContact O-N 3.21Å; F433-V459 WeakPolarHBondContact CA-O 3.32Å; F433-V459 WeakPolarHBondContact CD2-O 3.39Å; L434-V459 PolarHBondContact N-O 3.42Å; I457-V459 HydrophobicContact CG2-CG2 4.07Å
460	C	93.2	Very high	83.5	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	167.4	-179.1	60.6	0	0	0	0	112.3	L407 C408 F409 A410 L434	L407-C460 VanDerWaalsContact CD1-SG 3.59Å; C408-C460 PolarHBondContact O-N 3.02Å; F409-C460 WeakPolarHBondContact CA-O 3.44Å; A410-C460 PolarHBondContact N-O 3.32Å; L434-C460 HydrophobicContact CB-CB 4.31Å
461	T	91.6	Very high	82.7	Confident	11 Å²	11	33.7 Å²	33.7	7%	0.067	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	162.8	170.7	61.8	0	0	0	0	111.4	A410 V413 A416 S463 M464 A465	A410-T461 WeakPolarHBondContact O-CA 3.17Å; V413-T461 HydrophobicContact CG2-CG2 4.05Å; A416-T461 HydrophobicContact CB-CG2 4.39Å; T461-S463 VanDerWaalsContact C-N 3.29Å; T461-S463 PolarHBondContact O-N 3.14Å; T461-M464 PolarHBondContact O-N 3.02Å; T461-M464 VanDerWaalsContact O-N 3.15Å; T461-A465 WeakPolarHBondContact O-CB 3.31Å; T461-A465 PolarHBondContact O-N 2.86Å
462	D	85.1	Confident	82.3	Confident	18 Å²	18	34.8 Å²	34.8	10%	0.096	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-41.2	177.8	-67.4	-64.3	0	0	0	112.9	M464 A465 R466 I487 R491	D462-M464 PolarHBondContact O-N 3.19Å; D462-A465 PolarHBondContact O-N 2.83Å; D462-R466 VanDerWaalsContact O-CG 3.23Å; D462-R466 WeakPolarHBondContact O-CG 3.26Å; D462-R466 PolarHBondContact O-N 2.79Å; D462-I487 HydrophobicContact CB-CG2 4.35Å; D462-I487 VanDerWaalsContact CG-CG2 3.5Å; D462-I487 VanDerWaalsContact OD1-CG2 3.25Å; D462-I487 WeakPolarHBondContact OD1-CG2 3.43Å; D462-R491 WeakPolarHBondContact OD1-CG 3.32Å; D462-R491 IonicContact OD1-CZ 3.31Å; D462-R491 IonicContact OD1-NE 3.57Å; D462-R491 PolarHBondContact OD1-NE 2.93Å; D462-R491 IonicContact OD1-NH2 2.89Å; D462-R491 IonicContact OD2-CZ 3Å; D462-R491 IonicContact OD2-NE 2.82Å; D462-R491 IonicContact OD2-NH2 2.68Å; D462-R491 PolarHBondContact OD2-NH2 3.02Å
463	S	77.3	Confident	82.4	Confident	67 Å²	67	30.2 Å²	30.2	47%	0.469	17%	0.169	S	C	.	.	H	α-helix	trans	-59.8	-39	179.6	-174.8	0	0	0	0	111.4	T461	T461-S463 VanDerWaalsContact C-N 3.29Å; T461-S463 PolarHBondContact O-N 3.14Å
464	M	79.1	Confident	82.7	Confident	7 Å²	7	31.2 Å²	31.2	3%	0.034	16%	0.164	C	C	.	.	H	α-helix	trans	-77.8	-43.5	179.1	-174.4	52.3	-171.7	0	0	112.4	L434 R443 T461 D462 R466 I468	L434-M464 HydrophobicContact CB-CG 4.5Å; L434-M464 HydrophobicContact CD1-CE 3.8Å; L434-M464 HydrophobicContact CD2-CE 3.57Å; L434-M464 HydrophobicContact CD2-CG 4Å; L434-M464 HydrophobicContact CG-CE 3.47Å; L434-M464 VanDerWaalsContact CG-CE 3.47Å; L434-M464 HydrophobicContact CG-CG 3.83Å; L434-M464 HydrophobicContact CG-SD 4.48Å; R443-M464 HydrophobicContact CB-CE 4.39Å; R443-M464 HydrophobicContact CG-CE 4.27Å; T461-M464 PolarHBondContact O-N 3.02Å; T461-M464 VanDerWaalsContact O-N 3.15Å; D462-M464 PolarHBondContact O-N 3.19Å; M464-R466 PolarHBondContact O-N 3.4Å; M464-I468 HydrophobicContact CE-CD1 3.6Å; M464-I468 HydrophobicContact CG-CD1 4.13Å; M464-I468 WeakPolarHBondContact O-CD1 3.47Å; M464-I468 VanDerWaalsContact O-CG1 3.24Å; M464-I468 WeakPolarHBondContact O-CG1 3.41Å; M464-I468 HydrophobicContact SD-CD1 4.16Å
465	A	72.1	Confident	83	Confident	3 Å²	3	25.7 Å²	25.7	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-68	-23.1	-175.3	0	0	0	0	0	114.3	F409 T461 D462 I468 R494	F409-A465 HydrophobicContact CD1-CB 4.23Å; F409-A465 HydrophobicContact CE1-CB 3.21Å; F409-A465 HydrophobicContact CZ-CB 3.65Å; T461-A465 WeakPolarHBondContact O-CB 3.31Å; T461-A465 PolarHBondContact O-N 2.86Å; D462-A465 PolarHBondContact O-N 2.83Å; A465-I468 PolarHBondContact O-N 2.83Å; A465-R494 PolarHBondContact O-NH1 3.24Å; A465-R494 VanDerWaalsContact O-NH1 3.1Å
466	R	71.6	Confident	83.3	Confident	40 Å²	40	25.6 Å²	25.6	15%	0.151	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	138.1	176.3	-74.2	173	-169	164.3	3.8	110.3	E231 D462 M464 I468	E231-R466 IonicContact OE1-NH1 2.61Å; D462-R466 VanDerWaalsContact O-CG 3.23Å; D462-R466 WeakPolarHBondContact O-CG 3.26Å; D462-R466 PolarHBondContact O-N 2.79Å; M464-R466 PolarHBondContact O-N 3.4Å; R466-I468 PolarHBondContact O-N 3.11Å
467	G	62.8	Low	83.5	Confident	4 Å²	4	23 Å²	23	4%	0.041	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	-1.6	-176.3	0	0	0	0	0	115.8	Q148	Q148-G467 PolarHBondContact OE1-O 3.03Å; Q148-G467 VanDerWaalsContact OE1-O 3.13Å
468	I	71.5	Confident	83.5	Confident	10 Å²	10	23 Å²	23	5%	0.051	13%	0.125	C	C	.	.			trans	-92.2	121.2	170.8	-52.3	179.5	0	0	0	108.7	L434 L447 M464 A465 R466 I470 R494	L434-I468 HydrophobicContact CD2-CD1 3.67Å; L447-I468 HydrophobicContact CD1-CD1 4.49Å; L447-I468 HydrophobicContact CD1-CG2 3.73Å; L447-I468 HydrophobicContact CD2-CD1 4.47Å; L447-I468 HydrophobicContact CD2-CG2 3.72Å; L447-I468 HydrophobicContact CG-CG2 4.39Å; M464-I468 HydrophobicContact CE-CD1 3.6Å; M464-I468 HydrophobicContact CG-CD1 4.13Å; M464-I468 WeakPolarHBondContact O-CD1 3.47Å; M464-I468 VanDerWaalsContact O-CG1 3.24Å; M464-I468 WeakPolarHBondContact O-CG1 3.41Å; M464-I468 HydrophobicContact SD-CD1 4.16Å; A465-I468 PolarHBondContact O-N 2.83Å; R466-I468 PolarHBondContact O-N 3.11Å; I468-I470 HydrophobicContact CB-CG1 4.29Å; I468-I470 HydrophobicContact CG2-CD1 4Å; I468-I470 HydrophobicContact CG2-CG1 3.42Å; I468-I470 VanDerWaalsContact CG2-CG1 3.42Å; I468-R494 PolarHBondContact O-NH1 2.91Å
469	D	70.6	Confident	83.5	Confident	76 Å²	76	24.3 Å²	24.3	41%	0.406	13%	0.131	S	C	.	.			trans	-89.8	101.2	166.9	-166.8	26.6	0	0	0	110.2	Q148 R497	Q148-D469 HydrophobicContact CG-CB 4.44Å; Q148-D469 PolarHBondContact NE2-OD2 2.84Å; Q148-D469 VanDerWaalsContact OE1-CB 3.24Å; D469-R497 IonicContact OD1-CZ 3.38Å; D469-R497 IonicContact OD1-NH1 2.9Å; D469-R497 PolarHBondContact OD1-NH1 3.04Å
470	I	76.9	Confident	83.5	Confident	11 Å²	11	25.6 Å²	25.6	6%	0.056	14%	0.137	C	C	.	.			trans	-101.7	112.3	174.8	-51.1	-178.5	0	0	0	106.5	L407 L447 F450 L458 I468 V473 R497	L407-I470 HydrophobicContact CD1-CD1 3.97Å; L407-I470 HydrophobicContact CD2-CD1 4.35Å; L447-I470 HydrophobicContact CD2-CD1 3.96Å; L447-I470 HydrophobicContact CD2-CG1 4.11Å; F450-I470 HydrophobicContact CD1-CG2 3.48Å; F450-I470 VanDerWaalsContact CD1-CG2 3.48Å; F450-I470 HydrophobicContact CE1-CG2 3.56Å; L458-I470 HydrophobicContact CD2-CD1 3.86Å; I468-I470 HydrophobicContact CB-CG1 4.29Å; I468-I470 HydrophobicContact CG2-CD1 4Å; I468-I470 HydrophobicContact CG2-CG1 3.42Å; I468-I470 VanDerWaalsContact CG2-CG1 3.42Å; I470-V473 HydrophobicContact CB-CG2 3.79Å; I470-V473 HydrophobicContact CG2-CG2 3.65Å; I470-R497 PolarHBondContact O-NH1 2.97Å; I470-R497 VanDerWaalsContact O-NH1 3.09Å
471	N	74.6	Confident	83.4	Confident	96 Å²	96	26.6 Å²	26.6	51%	0.513	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	143.3	174.5	-66.9	-15.2	0	0	0	109.6	V473	N471-V473 PolarHBondContact O-N 3.11Å
472	D	78.3	Confident	83.4	Confident	73 Å²	73	26.4 Å²	26.4	39%	0.39	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	28.9	168.3	-56.3	-36.3	0	0	0	117.6	R405 E474 K500	R405-D472 PolarHBondContact NE-O 3.33Å; R405-D472 PolarHBondContact NH2-O 2.84Å; D472-E474 PolarHBondContact O-N 2.81Å; D472-E474 VanDerWaalsContact O-N 3.08Å; D472-K500 IonicContact OD1-NZ 4Å; D472-K500 PolarHBondContact OD1-NZ 3.37Å
473	V	89.1	Confident	83.5	Confident	9 Å²	9	30.1 Å²	30.1	6%	0.055	17%	0.167	C	C	.	.			trans	-62.4	112.8	168.6	-172.8	0	0	0	0	109.6	L407 F450 I470 N471 C475 V476 R494 T495	L407-V473 HydrophobicContact CB-CG1 3.74Å; F450-V473 HydrophobicContact CE1-CG2 4.26Å; I470-V473 HydrophobicContact CB-CG2 3.79Å; I470-V473 HydrophobicContact CG2-CG2 3.65Å; N471-V473 PolarHBondContact O-N 3.11Å; V473-C475 WeakPolarHBondContact CG1-O 3.25Å; V473-V476 HydrophobicContact CG1-CG2 3.92Å; V473-R494 WeakPolarHBondContact CB-O 3.3Å; V473-T495 VanDerWaalsContact O-CB 3.29Å; V473-T495 WeakPolarHBondContact O-CB 3.41Å; V473-T495 PolarHBondContact O-OG1 3.25Å
474	E	91.7	Very high	83.9	Confident	55 Å²	55	29.1 Å²	29.1	26%	0.257	16%	0.161	S	C	.	.			trans	-82.4	-35.6	179.8	-164.2	-157.8	141.4	0	0	111.5	K403 K404 D472 T495 T503	K403-E474 WeakPolarHBondContact CD-OE1 3.17Å; K403-E474 IonicContact NZ-OE1 3.53Å; K403-E474 PolarHBondContact NZ-OE1 3.23Å; K404-E474 PolarHBondContact N-OE2 2.82Å; K404-E474 VanDerWaalsContact N-OE2 3.09Å; K404-E474 WeakPolarHBondContact O-CB 3.36Å; D472-E474 PolarHBondContact O-N 2.81Å; D472-E474 VanDerWaalsContact O-N 3.08Å; E474-T495 PolarHBondContact O-OG1 2.76Å; E474-T503 PolarHBondContact O-N 2.86Å; E474-T503 PolarHBondContact O-OG1 3Å
475	C	94.2	Very high	84.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.6	-171.9	-174.7	0	0	0	0	110.9	K403 I406 L407 V473 T503 Y505	K403-C475 HydrophobicContact CD-CB 4.49Å; I406-C475 CarbonylContact C-O 3.55Å; I406-C475 WeakPolarHBondContact CA-O 3.45Å; I406-C475 HydrophobicContact CG1-CB 4.15Å; I406-C475 HydrophobicContact CG2-CB 4.42Å; L407-C475 PolarHBondContact N-O 3.04Å; V473-C475 WeakPolarHBondContact CG1-O 3.25Å; C475-T503 CarbonylContact C-O 3.57Å; C475-T503 VanDerWaalsContact CA-O 3.28Å; C475-T503 WeakPolarHBondContact CA-O 3.37Å; C475-Y505 VanDerWaalsContact SG-CD2 3.58Å
476	V	94.4	Very high	84.7	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.6	169.9	172	0	0	0	0	108.9	L407 F409 V473 R491 R494 T495 T503 A504 Y505	L407-V476 HydrophobicContact CB-CG2 4.43Å; L407-V476 CarbonylContact O-C 3.59Å; L407-V476 WeakPolarHBondContact O-CA 3.37Å; F409-V476 HydrophobicContact CD2-CG1 3.83Å; F409-V476 HydrophobicContact CE2-CG1 3.72Å; V473-V476 HydrophobicContact CG1-CG2 3.92Å; V476-R491 HydrophobicContact CG1-CB 4.47Å; V476-R494 HydrophobicContact CG2-CB 4Å; V476-T495 HydrophobicContact CB-CG2 4.2Å; V476-T495 HydrophobicContact CG2-CG2 3.68Å; V476-T503 PolarHBondContact N-O 3.44Å; V476-A504 CarbonylContact O-C 3.55Å; V476-A504 WeakPolarHBondContact O-CA 3.39Å; V476-Y505 PolarHBondContact O-N 3.29Å
477	V	95.7	Very high	85.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	118.8	175.5	-176.1	0	0	0	0	109.4	L394 L397 I406 L407 C408 F409 Y479 Y505 L507	L394-V477 HydrophobicContact CD2-CB 3.98Å; L394-V477 HydrophobicContact CD2-CG1 3.75Å; L394-V477 HydrophobicContact CD2-CG2 3.97Å; L397-V477 HydrophobicContact CD1-CG2 3.58Å; I406-V477 HydrophobicContact CG2-CB 4.41Å; I406-V477 HydrophobicContact CG2-CG2 3.61Å; L407-V477 PolarHBondContact O-N 3.45Å; C408-V477 CarbonylContact C-O 3.56Å; C408-V477 WeakPolarHBondContact CA-O 3.32Å; F409-V477 PolarHBondContact N-O 2.79Å; V477-Y479 PolarHBondContact O-N 3.21Å; V477-Y505 CarbonylContact C-O 3.59Å; V477-Y505 WeakPolarHBondContact CA-O 3.24Å; V477-Y505 HydrophobicContact CG2-CD2 4.43Å; V477-L507 HydrophobicContact CG1-CD1 4.29Å; V477-L507 HydrophobicContact CG1-CG 4.22Å
478	S	95.1	Very high	86.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	100.7	165.7	-61.8	0	0	0	0	108.4	R491 Y505 N506 L507	S478-R491 WeakPolarHBondContact OG-CD 3.45Å; S478-R491 PolarHBondContact OG-NH1 3.29Å; S478-Y505 PolarHBondContact N-O 3.21Å; S478-N506 VanDerWaalsContact CB-OD1 3.26Å; S478-N506 WeakPolarHBondContact CB-OD1 3.26Å; S478-N506 PolarHBondContact OG-OD1 3.14Å; S478-L507 WeakPolarHBondContact O-CB 3.44Å; S478-L507 PolarHBondContact O-N 2.65Å
479	Y	94.7	Very high	87.3	Confident	28 Å²	28	33.2 Å²	33.2	11%	0.11	18%	0.18	C	C	.	.	S	Bend	trans	-69.8	-40.7	177.8	-176.5	-94	0	0	0	111.6	R390 V391 L394 F409 L419 V477 L507	R390-Y479 HydrophobicContact CB-CD2 4.06Å; R390-Y479 HydrophobicContact CB-CE2 3.4Å; R390-Y479 PolarHBondContact NH1-O 2.81Å; V391-Y479 HydrophobicContact CG2-CE2 4.2Å; V391-Y479 WeakPolarHBondContact CG2-OH 2.82Å; L394-Y479 HydrophobicContact CD1-CD2 4.14Å; F409-Y479 VanDerWaalsContact O-CB 3.31Å; F409-Y479 WeakPolarHBondContact O-CB 3.32Å; F409-Y479 PolarHBondContact O-N 3.34Å; L419-Y479 HydrophobicContact CD1-CD2 4.22Å; L419-Y479 HydrophobicContact CD1-CE2 3.73Å; L419-Y479 HydrophobicContact CD2-CD1 4.16Å; L419-Y479 HydrophobicContact CD2-CD2 3.72Å; L419-Y479 HydrophobicContact CD2-CE1 4.46Å; L419-Y479 HydrophobicContact CD2-CE2 4.04Å; L419-Y479 HydrophobicContact CD2-CG 3.78Å; V477-Y479 PolarHBondContact O-N 3.21Å; Y479-L507 HydrophobicContact CD2-CD1 4.1Å
480	D	93	Very high	87.9	Confident	26 Å²	26	30.2 Å²	30.2	14%	0.139	16%	0.163	C	C	.	.	S	Bend	trans	-106	150.7	170.2	-64.8	-40.3	0	0	0	110.6	R390 F409 N411 C415 R491	R390-D480 IonicContact NH1-OD1 3.91Å; F409-D480 PolarHBondContact O-N 3.17Å; N411-D480 HydrophobicContact CB-CB 4.06Å; N411-D480 VanDerWaalsContact CG-CB 3.46Å; N411-D480 PolarHBondContact N-OD2 3.42Å; N411-D480 WeakPolarHBondContact OD1-CB 3.31Å; C415-D480 PolarHBondContact SG-OD2 3.2Å; C415-D480 VanDerWaalsContact SG-OD2 3.38Å; D480-R491 PolarHBondContact O-NH1 3.37Å
481	V	91.3	Very high	88.5	Confident	24 Å²	24	29.7 Å²	29.7	15%	0.145	16%	0.161	C	C	.	.			trans	-62.9	128.6	178.4	-171.3	0	0	0	0	109.4	N411 L508 Q512 F516	N411-V481 PolarHBondContact ND2-O 3.38Å; N411-V481 PolarHBondContact OD1-O 3.4Å; V481-L508 HydrophobicContact CB-CD2 4.22Å; V481-L508 HydrophobicContact CG1-CD2 3.87Å; V481-L508 HydrophobicContact CG2-CD2 3.53Å; V481-Q512 HydrophobicContact CG2-CB 4.14Å; V481-Q512 HydrophobicContact CG2-CG 4.2Å; V481-F516 HydrophobicContact CG1-CD2 3.86Å; V481-F516 HydrophobicContact CG1-CE2 4.2Å; V481-F516 HydrophobicContact CG1-CG 4.42Å
482	P	91.3	Very high	89.2	Confident	6 Å²	6	25.1 Å²	25.1	4%	0.039	14%	0.136	C	C	.	.			trans	-58.2	134.8	173.7	-19.3	29.1	0	0	0	110.6	S484 I487 Y488 F516	P482-S484 PolarHBondContact O-N 3.01Å; P482-I487 HydrophobicContact CB-CG2 4.32Å; P482-Y488 HydrophobicContact CG-CD2 3.99Å; P482-Y488 HydrophobicContact CG-CG 4.4Å; P482-F516 HydrophobicContact CG-CE2 4.24Å; P482-F516 HydrophobicContact CG-CZ 4.13Å
483	P	87.3	Confident	89.4	Confident	96 Å²	96	21.8 Å²	21.8	62%	0.623	12%	0.119	S	C	*	.	S	Bend	trans	-71.5	-16	-177.4	23.7	-29.3	0	0	0	113.7	I487	P483-I487 HydrophobicContact CG-CD1 3.69Å
484	S	86.5	Confident	89.3	Confident	47 Å²	47	22 Å²	22	33%	0.329	12%	0.119	S	C	.	.	S	Bend	trans	-147.9	159	172.4	73.4	0	0	0	0	111.6	P482 K486 I487 Y488	P482-S484 PolarHBondContact O-N 3.01Å; S484-K486 VanDerWaalsContact C-N 3.26Å; S484-K486 PolarHBondContact O-N 3.5Å; S484-I487 PolarHBondContact O-N 3.04Å; S484-I487 WeakPolarHBondContact OG-CG1 3.27Å; S484-I487 PolarHBondContact OG-N 3.45Å; S484-Y488 PolarHBondContact O-N 3.15Å
485	I	86	Confident	89.2	Confident	40 Å²	40	19.5 Å²	19.5	21%	0.205	11%	0.107	C	C	.	.	H	α-helix	trans	-62.2	-36.2	176.9	-56.1	147.1	0	0	0	110.8	F372 I487 Y488 I489 D519 L520 A523	F372-I485 HydrophobicContact CD2-CB 4.47Å; F372-I485 HydrophobicContact CD2-CG2 3.52Å; F372-I485 HydrophobicContact CE2-CB 3.96Å; F372-I485 HydrophobicContact CE2-CG2 3.48Å; F372-I485 VanDerWaalsContact CE2-CG2 3.48Å; I485-I487 VanDerWaalsContact C-N 3.32Å; I485-I487 PolarHBondContact O-N 3.48Å; I485-Y488 VanDerWaalsContact O-CB 3.29Å; I485-Y488 WeakPolarHBondContact O-CB 3.36Å; I485-Y488 PolarHBondContact O-N 3Å; I485-Y488 VanDerWaalsContact O-N 3.17Å; I485-I489 HydrophobicContact CG2-CG1 4.36Å; I485-I489 VanDerWaalsContact O-CG1 3.27Å; I485-I489 WeakPolarHBondContact O-CG1 3.49Å; I485-I489 PolarHBondContact O-N 2.75Å; I485-D519 HydrophobicContact CD1-CB 3.91Å; I485-D519 HydrophobicContact CG1-CB 4.03Å; I485-L520 HydrophobicContact CG2-CD2 4.45Å; I485-A523 HydrophobicContact CD1-CB 4.32Å; I485-A523 HydrophobicContact CG2-CB 3.87Å
486	K	81.8	Confident	88.8	Confident	77 Å²	77	19.7 Å²	19.7	34%	0.335	11%	0.109	S	C	.	.	H	α-helix	trans	-57.1	-47	175.7	-65.8	-178	-179.7	-179.9	0	111.1	F372 S484 Y488 I489 H490	F372-K486 HydrophobicContact CE1-CG 3.73Å; F372-K486 HydrophobicContact CZ-CG 3.55Å; S484-K486 VanDerWaalsContact C-N 3.26Å; S484-K486 PolarHBondContact O-N 3.5Å; K486-Y488 VanDerWaalsContact C-N 3.35Å; K486-Y488 PolarHBondContact O-N 3.16Å; K486-I489 PolarHBondContact O-N 3.07Å; K486-H490 PolarHBondContact O-N 3.4Å; K486-H490 VanDerWaalsContact O-N 3.08Å
487	I	86.1	Confident	88.3	Confident	26 Å²	26	21.4 Å²	21.4	13%	0.133	12%	0.115	C	C	.	.	H	α-helix	trans	-65.6	-40.8	177.7	-67.1	170.9	0	0	0	110.8	D462 P482 P483 S484 I485 I489 H490 R491	D462-I487 HydrophobicContact CB-CG2 4.35Å; D462-I487 VanDerWaalsContact CG-CG2 3.5Å; D462-I487 VanDerWaalsContact OD1-CG2 3.25Å; D462-I487 WeakPolarHBondContact OD1-CG2 3.43Å; P482-I487 HydrophobicContact CB-CG2 4.32Å; P483-I487 HydrophobicContact CG-CD1 3.69Å; S484-I487 PolarHBondContact O-N 3.04Å; S484-I487 WeakPolarHBondContact OG-CG1 3.27Å; S484-I487 PolarHBondContact OG-N 3.45Å; I485-I487 VanDerWaalsContact C-N 3.32Å; I485-I487 PolarHBondContact O-N 3.48Å; I487-I489 VanDerWaalsContact C-N 3.33Å; I487-I489 PolarHBondContact O-N 3.26Å; I487-H490 WeakPolarHBondContact O-CB 3.3Å; I487-H490 PolarHBondContact O-N 2.72Å; I487-H490 VanDerWaalsContact O-N 3.16Å; I487-R491 HydrophobicContact CG2-CG 4.45Å; I487-R491 WeakPolarHBondContact O-CG 3.46Å; I487-R491 PolarHBondContact O-N 3.2Å
488	Y	89.1	Confident	87.5	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-53.4	-49.8	173.5	169.5	-114.4	0	0	0	112.2	E380 P482 S484 I485 K486 H490 R491 I492 N506 F516 L520	E380-Y488 PolarHBondContact OE2-OH 2.99Å; P482-Y488 HydrophobicContact CG-CD2 3.99Å; P482-Y488 HydrophobicContact CG-CG 4.4Å; S484-Y488 PolarHBondContact O-N 3.15Å; I485-Y488 VanDerWaalsContact O-CB 3.29Å; I485-Y488 WeakPolarHBondContact O-CB 3.36Å; I485-Y488 PolarHBondContact O-N 3Å; I485-Y488 VanDerWaalsContact O-N 3.17Å; K486-Y488 VanDerWaalsContact C-N 3.35Å; K486-Y488 PolarHBondContact O-N 3.16Å; Y488-H490 VanDerWaalsContact C-N 3.3Å; Y488-H490 PolarHBondContact O-N 3.18Å; Y488-R491 WeakPolarHBondContact O-CB 3.34Å; Y488-R491 PolarHBondContact O-N 2.91Å; Y488-R491 VanDerWaalsContact O-N 3.1Å; Y488-I492 HydrophobicContact CD1-CD1 4.39Å; Y488-I492 HydrophobicContact CD2-CG2 3.97Å; Y488-I492 HydrophobicContact CE1-CD1 3.76Å; Y488-I492 HydrophobicContact CE2-CD1 4.31Å; Y488-I492 HydrophobicContact CE2-CG2 3.3Å; Y488-I492 PolarHBondContact O-N 3.04Å; Y488-I492 VanDerWaalsContact O-N 3.07Å; Y488-N506 WeakPolarHBondContact CE2-ND2 3.44Å; Y488-N506 WeakPolarHBondContact CE2-OD1 3.36Å; Y488-N506 PolarHBondContact OH-ND2 2.87Å; Y488-F516 HydrophobicContact CD1-CZ 4.32Å; Y488-F516 HydrophobicContact CD2-CE1 4.46Å; Y488-F516 AromaticContact CD2-CZ 3.83Å; Y488-F516 HydrophobicContact CD2-CZ 3.83Å; Y488-F516 HydrophobicContact CE2-CZ 4.36Å; Y488-F516 AromaticContact CG-CZ 3.79Å; Y488-F516 HydrophobicContact CG-CZ 3.79Å; Y488-L520 HydrophobicContact CD1-CD2 3.59Å; Y488-L520 HydrophobicContact CE1-CD2 3.5Å; Y488-L520 VanDerWaalsContact CE1-CD2 3.5Å
489	I	85.9	Confident	86.7	Confident	7 Å²	7	26 Å²	26	4%	0.036	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-41.8	178.2	-62.2	-71.6	0	0	0	110.9	T291 F372 V374 I485 K486 I487 R491 I492 G493	T291-I489 HydrophobicContact CG2-CB 4.26Å; T291-I489 HydrophobicContact CG2-CG2 3.86Å; F372-I489 HydrophobicContact CB-CB 4.45Å; F372-I489 HydrophobicContact CB-CD1 3.5Å; F372-I489 VanDerWaalsContact CB-CD1 3.5Å; F372-I489 HydrophobicContact CB-CG1 3.52Å; F372-I489 HydrophobicContact CB-CG2 4.28Å; F372-I489 HydrophobicContact CD1-CG1 4.41Å; F372-I489 HydrophobicContact CD2-CG1 4.04Å; F372-I489 HydrophobicContact CG-CD1 4.21Å; F372-I489 HydrophobicContact CG-CG1 3.74Å; V374-I489 HydrophobicContact CG2-CD1 3.54Å; V374-I489 HydrophobicContact CG2-CG2 4.33Å; I485-I489 HydrophobicContact CG2-CG1 4.36Å; I485-I489 VanDerWaalsContact O-CG1 3.27Å; I485-I489 WeakPolarHBondContact O-CG1 3.49Å; I485-I489 PolarHBondContact O-N 2.75Å; K486-I489 PolarHBondContact O-N 3.07Å; I487-I489 VanDerWaalsContact C-N 3.33Å; I487-I489 PolarHBondContact O-N 3.26Å; I489-R491 VanDerWaalsContact C-N 3.33Å; I489-R491 PolarHBondContact O-N 2.82Å; I489-I492 HydrophobicContact CD1-CD1 4.25Å; I489-I492 WeakPolarHBondContact O-CG1 3.44Å; I489-G493 PolarHBondContact O-N 2.91Å
490	H	83.5	Confident	86.2	Confident	12 Å²	12	30.3 Å²	30.3	6%	0.056	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-31.6	176.1	-67.7	170.3	0	0	0	114.1	D226 T291 K486 I487 Y488 R494	D226-H490 IonicContact OD2-CE1 3.5Å; T291-H490 PolarHBondContact OG1-CE1 2.86Å; T291-H490 PolarHBondContact OG1-NE2 2.85Å; K486-H490 PolarHBondContact O-N 3.4Å; K486-H490 VanDerWaalsContact O-N 3.08Å; I487-H490 WeakPolarHBondContact O-CB 3.3Å; I487-H490 PolarHBondContact O-N 2.72Å; I487-H490 VanDerWaalsContact O-N 3.16Å; Y488-H490 VanDerWaalsContact C-N 3.3Å; Y488-H490 PolarHBondContact O-N 3.18Å; H490-R494 PolarHBondContact O-NE 3.08Å
491	R	89.4	Confident	86.1	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.2	-54.7	175.5	-70.4	-176.1	-179.5	-176.6	1	111	F409 N411 D462 V476 S478 D480 I487 Y488 I489 G493 R494	F409-R491 HydrophobicContact CB-CG 4.46Å; F409-R491 HydrophobicContact CD1-CG 3.75Å; F409-R491 HydrophobicContact CD2-CB 4.03Å; F409-R491 HydrophobicContact CD2-CG 3.93Å; F409-R491 HydrophobicContact CE1-CB 4.46Å; F409-R491 HydrophobicContact CE1-CG 3.78Å; F409-R491 HydrophobicContact CE2-CB 3.87Å; F409-R491 HydrophobicContact CE2-CG 4Å; F409-R491 HydrophobicContact CG-CB 4.41Å; F409-R491 HydrophobicContact CG-CG 3.81Å; F409-R491 HydrophobicContact CZ-CB 4.1Å; F409-R491 HydrophobicContact CZ-CG 3.92Å; N411-R491 PolarHBondContact OD1-NH2 2.84Å; D462-R491 WeakPolarHBondContact OD1-CG 3.32Å; D462-R491 IonicContact OD1-CZ 3.31Å; D462-R491 IonicContact OD1-NE 3.57Å; D462-R491 PolarHBondContact OD1-NE 2.93Å; D462-R491 IonicContact OD1-NH2 2.89Å; D462-R491 IonicContact OD2-CZ 3Å; D462-R491 IonicContact OD2-NE 2.82Å; D462-R491 IonicContact OD2-NH2 2.68Å; D462-R491 PolarHBondContact OD2-NH2 3.02Å; V476-R491 HydrophobicContact CG1-CB 4.47Å; S478-R491 WeakPolarHBondContact OG-CD 3.45Å; S478-R491 PolarHBondContact OG-NH1 3.29Å; D480-R491 PolarHBondContact O-NH1 3.37Å; I487-R491 HydrophobicContact CG2-CG 4.45Å; I487-R491 WeakPolarHBondContact O-CG 3.46Å; I487-R491 PolarHBondContact O-N 3.2Å; Y488-R491 WeakPolarHBondContact O-CB 3.34Å; Y488-R491 PolarHBondContact O-N 2.91Å; Y488-R491 VanDerWaalsContact O-N 3.1Å; I489-R491 VanDerWaalsContact C-N 3.33Å; I489-R491 PolarHBondContact O-N 2.82Å; R491-G493 PolarHBondContact O-N 2.78Å; R491-R494 WeakPolarHBondContact O-CB 3.43Å; R491-R494 VanDerWaalsContact O-CG 3.26Å; R491-R494 WeakPolarHBondContact O-CG 3.36Å; R491-R494 PolarHBondContact O-N 2.91Å; R491-R494 VanDerWaalsContact O-N 3.12Å
492	I	88.1	Confident	86.1	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-29	-177.1	65.5	177.5	0	0	0	112.1	V374 L378 Y488 I489 R494 T495 A504	V374-I492 HydrophobicContact CG1-CD1 3.98Å; V374-I492 HydrophobicContact CG2-CD1 3.87Å; L378-I492 HydrophobicContact CD2-CB 3.9Å; L378-I492 HydrophobicContact CD2-CD1 3.77Å; L378-I492 HydrophobicContact CD2-CG1 4.03Å; Y488-I492 HydrophobicContact CD1-CD1 4.39Å; Y488-I492 HydrophobicContact CD2-CG2 3.97Å; Y488-I492 HydrophobicContact CE1-CD1 3.76Å; Y488-I492 HydrophobicContact CE2-CD1 4.31Å; Y488-I492 HydrophobicContact CE2-CG2 3.3Å; Y488-I492 PolarHBondContact O-N 3.04Å; Y488-I492 VanDerWaalsContact O-N 3.07Å; I489-I492 HydrophobicContact CD1-CD1 4.25Å; I489-I492 WeakPolarHBondContact O-CG1 3.44Å; I492-R494 PolarHBondContact O-N 2.88Å; I492-T495 WeakPolarHBondContact O-CG2 3.48Å; I492-T495 PolarHBondContact O-N 2.93Å; I492-T495 VanDerWaalsContact O-N 3.14Å; I492-A504 HydrophobicContact CB-CB 4Å; I492-A504 HydrophobicContact CG2-CB 3.56Å
493	G	83.5	Confident	86.2	Confident	3 Å²	3	37.2 Å²	37.2	3%	0.031	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-0.4	173.7	0	0	0	0	0	116	T110 I489 R491 R497	T110-G493 VanDerWaalsContact OG1-C 3.27Å; T110-G493 WeakPolarHBondContact OG1-CA 3.36Å; T110-G493 PolarHBondContact OG1-O 3.21Å; I489-G493 PolarHBondContact O-N 2.91Å; R491-G493 PolarHBondContact O-N 2.78Å; G493-R497 PolarHBondContact O-NE 3.34Å
494	R	87	Confident	86.5	Confident	13 Å²	13	32.6 Å²	32.6	5%	0.049	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-19.3	170.6	-57.5	-64.9	152.1	-179.5	-9.1	113.2	L407 F409 A465 I468 V473 V476 H490 R491 I492 R497	L407-R494 HydrophobicContact CD2-CB 3.69Å; L407-R494 HydrophobicContact CD2-CG 3.84Å; F409-R494 HydrophobicContact CE2-CG 4.32Å; F409-R494 HydrophobicContact CZ-CG 3.9Å; A465-R494 PolarHBondContact O-NH1 3.24Å; A465-R494 VanDerWaalsContact O-NH1 3.1Å; I468-R494 PolarHBondContact O-NH1 2.91Å; V473-R494 WeakPolarHBondContact CB-O 3.3Å; V476-R494 HydrophobicContact CG2-CB 4Å; H490-R494 PolarHBondContact O-NE 3.08Å; R491-R494 WeakPolarHBondContact O-CB 3.43Å; R491-R494 VanDerWaalsContact O-CG 3.26Å; R491-R494 WeakPolarHBondContact O-CG 3.36Å; R491-R494 PolarHBondContact O-N 2.91Å; R491-R494 VanDerWaalsContact O-N 3.12Å; I492-R494 PolarHBondContact O-N 2.88Å; R494-R497 PolarHBondContact O-NE 3.32Å
495	T	89.3	Confident	86.9	Confident	2 Å²	2	31 Å²	31	1%	0.012	16%	0.162	C	C	.	.	S	Bend	trans	-111.3	178.1	172.7	-173	0	0	0	0	110.5	L378 V473 E474 V476 I492 R497 G502	L378-T495 HydrophobicContact CD1-CG2 3.4Å; V473-T495 VanDerWaalsContact O-CB 3.29Å; V473-T495 WeakPolarHBondContact O-CB 3.41Å; V473-T495 PolarHBondContact O-OG1 3.25Å; E474-T495 PolarHBondContact O-OG1 2.76Å; V476-T495 HydrophobicContact CB-CG2 4.2Å; V476-T495 HydrophobicContact CG2-CG2 3.68Å; I492-T495 WeakPolarHBondContact O-CG2 3.48Å; I492-T495 PolarHBondContact O-N 2.93Å; I492-T495 VanDerWaalsContact O-N 3.14Å; T495-R497 VanDerWaalsContact C-N 3.28Å; T495-R497 PolarHBondContact O-N 3.28Å; T495-G502 WeakPolarHBondContact OG1-CA 3.2Å
496	A	85.5	Confident	87.3	Confident	4 Å²	4	29.2 Å²	29.2	3%	0.033	15%	0.152	C	C	.	.	S	Bend	trans	55.7	36.1	-178.1	0	0	0	0	0	114.7	P375 L378 K500	P375-A496 HydrophobicContact CB-CB 4.12Å; P375-A496 HydrophobicContact CG-CB 4.36Å; L378-A496 HydrophobicContact CB-CB 3.87Å; L378-A496 HydrophobicContact CD1-CB 3.87Å; A496-K500 VanDerWaalsContact CA-O 3.25Å; A496-K500 WeakPolarHBondContact CA-O 3.37Å
497	R	83.7	Confident	87.9	Confident	37 Å²	37	25.6 Å²	25.6	14%	0.14	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-82.5	147.6	179.8	-62.7	178.3	169.6	-175.8	-16.3	111.3	D469 I470 G493 R494 T495 G499 K500	D469-R497 IonicContact OD1-CZ 3.38Å; D469-R497 IonicContact OD1-NH1 2.9Å; D469-R497 PolarHBondContact OD1-NH1 3.04Å; I470-R497 PolarHBondContact O-NH1 2.97Å; I470-R497 VanDerWaalsContact O-NH1 3.09Å; G493-R497 PolarHBondContact O-NE 3.34Å; R494-R497 PolarHBondContact O-NE 3.32Å; T495-R497 VanDerWaalsContact C-N 3.28Å; T495-R497 PolarHBondContact O-N 3.28Å; R497-G499 PolarHBondContact O-N 3.2Å; R497-K500 WeakPolarHBondContact O-CB 3.35Å; R497-K500 PolarHBondContact O-N 3.23Å; R497-K500 VanDerWaalsContact O-N 3.09Å
498	A	79.3	Confident	88.2	Confident	57 Å²	57	24.3 Å²	24.3	47%	0.471	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	49.9	39.6	177	0	0	0	0	0	114.2	F76 K500	F76-A498 HydrophobicContact CE1-CB 4.04Å; F76-A498 HydrophobicContact CZ-CB 3.63Å; A498-K500 VanDerWaalsContact C-N 3.26Å; A498-K500 PolarHBondContact O-N 3.41Å
499	G	78.2	Confident	88.3	Confident	41 Å²	41	25.5 Å²	25.5	42%	0.423	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	80.1	-4.3	177.1	0	0	0	0	0	115.5	L47 R497	L47-G499 VanDerWaalsContact CD1-N 3.32Å; R497-G499 PolarHBondContact O-N 3.2Å
500	K	85.2	Confident	88.4	Confident	117 Å²	117	30 Å²	30	51%	0.509	17%	0.166	S	C	.	.			trans	-63.7	151.4	173.8	-61.7	-172.9	-175.7	-171.9	0	110.2	S377 D472 A496 R497 A498	S377-K500 WeakPolarHBondContact CB-O 3.49Å; S377-K500 PolarHBondContact OG-O 3Å; D472-K500 IonicContact OD1-NZ 4Å; D472-K500 PolarHBondContact OD1-NZ 3.37Å; A496-K500 VanDerWaalsContact CA-O 3.25Å; A496-K500 WeakPolarHBondContact CA-O 3.37Å; R497-K500 WeakPolarHBondContact O-CB 3.35Å; R497-K500 PolarHBondContact O-N 3.23Å; R497-K500 VanDerWaalsContact O-N 3.09Å; A498-K500 VanDerWaalsContact C-N 3.26Å; A498-K500 PolarHBondContact O-N 3.41Å
501	K	89.5	Confident	88.6	Confident	188 Å²	188	35.9 Å²	35.9	82%	0.817	20%	0.198	S	C	*	.			trans	-72.8	141.5	171.9	-65.4	-174.7	179.8	-178.3	0	109.7
502	G	91.3	Very high	88.6	Confident	3 Å²	3	39.5 Å²	39.5	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.1	177.8	0	0	0	0	0	111.5	S377 E379 T495	S377-G502 PolarHBondContact O-N 3.05Å; E379-G502 PolarHBondContact N-O 3.48Å; T495-G502 WeakPolarHBondContact OG1-CA 3.2Å
503	T	94	Very high	88.6	Confident	10 Å²	10	40.7 Å²	40.7	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.9	177.4	44.2	0	0	0	0	110.3	E379 F381 K403 E474 C475 V476	E379-T503 HydrophobicContact CB-CG2 4.26Å; E379-T503 CarbonylContact O-C 3.51Å; E379-T503 WeakPolarHBondContact O-CA 3.4Å; F381-T503 HydrophobicContact CE2-CG2 4.41Å; K403-T503 PolarHBondContact NZ-OG1 3.39Å; E474-T503 PolarHBondContact O-N 2.86Å; E474-T503 PolarHBondContact O-OG1 3Å; C475-T503 CarbonylContact C-O 3.57Å; C475-T503 VanDerWaalsContact CA-O 3.28Å; C475-T503 WeakPolarHBondContact CA-O 3.37Å; V476-T503 PolarHBondContact N-O 3.44Å
504	A	94.3	Very high	88.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.9	177.5	0	0	0	0	0	110.7	L378 E379 F381 V476 I492	L378-A504 HydrophobicContact CD1-CB 4.16Å; L378-A504 HydrophobicContact CD2-CB 4.49Å; E379-A504 PolarHBondContact O-N 3.46Å; F381-A504 PolarHBondContact N-O 3.38Å; V476-A504 CarbonylContact O-C 3.55Å; V476-A504 WeakPolarHBondContact O-CA 3.39Å; I492-A504 HydrophobicContact CB-CB 4Å; I492-A504 HydrophobicContact CG2-CB 3.56Å
505	Y	95.1	Very high	88.7	Confident	14 Å²	14	53.4 Å²	53.4	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.8	175.7	-63.2	-83.7	0	0	0	110.4	F381 V383 F393 L397 C475 V476 V477 S478	F381-Y505 HydrophobicContact CB-CD1 3.44Å; F381-Y505 VanDerWaalsContact CB-CD1 3.44Å; F381-Y505 HydrophobicContact CB-CE1 3.65Å; F381-Y505 HydrophobicContact CB-CG 4.37Å; F381-Y505 HydrophobicContact CD1-CE1 4.38Å; F381-Y505 HydrophobicContact CD2-CD1 4.01Å; F381-Y505 AromaticContact CD2-CE1 3.48Å; F381-Y505 HydrophobicContact CD2-CE1 3.48Å; F381-Y505 VanDerWaalsContact CD2-CE1 3.48Å; F381-Y505 AromaticContact CD2-CZ 3.82Å; F381-Y505 HydrophobicContact CE2-CE1 4.21Å; F381-Y505 AromaticContact CG-CD1 3.93Å; F381-Y505 HydrophobicContact CG-CD1 3.93Å; F381-Y505 AromaticContact CG-CE1 3.58Å; F381-Y505 HydrophobicContact CG-CE1 3.58Å; F381-Y505 WeakPolarHBondContact O-CA 3.29Å; V383-Y505 HydrophobicContact CG2-CD1 3.87Å; F393-Y505 HydrophobicContact CE1-CD1 4.12Å; F393-Y505 AromaticContact CE1-CG 3.94Å; F393-Y505 HydrophobicContact CE1-CG 3.94Å; F393-Y505 AromaticContact CZ-CD1 3.66Å; F393-Y505 HydrophobicContact CZ-CD1 3.66Å; F393-Y505 HydrophobicContact CZ-CE1 4.18Å; F393-Y505 AromaticContact CZ-CG 3.97Å; F393-Y505 HydrophobicContact CZ-CG 3.97Å; L397-Y505 HydrophobicContact CD1-CD2 4.02Å; L397-Y505 HydrophobicContact CD1-CE2 4.33Å; L397-Y505 HydrophobicContact CD2-CD2 4.22Å; L397-Y505 HydrophobicContact CD2-CE2 3.78Å; C475-Y505 VanDerWaalsContact SG-CD2 3.58Å; V476-Y505 PolarHBondContact O-N 3.29Å; V477-Y505 CarbonylContact C-O 3.59Å; V477-Y505 WeakPolarHBondContact CA-O 3.24Å; V477-Y505 HydrophobicContact CG2-CD2 4.43Å; S478-Y505 PolarHBondContact N-O 3.21Å
506	N	94.2	Very high	88.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.8	170.5	-57	-54.7	0	0	0	110.3	F381 L382 V383 S478 Y488 L508	F381-N506 PolarHBondContact O-N 2.96Å; L382-N506 HydrophobicContact CD2-CB 4.06Å; V383-N506 PolarHBondContact N-O 3.03Å; S478-N506 VanDerWaalsContact CB-OD1 3.26Å; S478-N506 WeakPolarHBondContact CB-OD1 3.26Å; S478-N506 PolarHBondContact OG-OD1 3.14Å; Y488-N506 WeakPolarHBondContact CE2-ND2 3.44Å; Y488-N506 WeakPolarHBondContact CE2-OD1 3.36Å; Y488-N506 PolarHBondContact OH-ND2 2.87Å; N506-L508 HydrophobicContact CB-CD2 4.47Å; N506-L508 HydrophobicContact CB-CG 4.47Å
507	L	94.2	Very high	88.9	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.9	175.7	-55.4	-170.9	0	0	0	109.4	V383 R390 F393 V477 S478 Y479	V383-L507 HydrophobicContact CB-CD2 3.77Å; V383-L507 HydrophobicContact CG1-CD2 4Å; V383-L507 HydrophobicContact CG2-CD2 4.28Å; R390-L507 HydrophobicContact CB-CD1 3.76Å; R390-L507 HydrophobicContact CG-CB 4.33Å; R390-L507 HydrophobicContact CG-CD1 3.98Å; F393-L507 HydrophobicContact CB-CD1 4.45Å; F393-L507 HydrophobicContact CB-CD2 4.43Å; F393-L507 HydrophobicContact CD1-CD1 4.25Å; F393-L507 HydrophobicContact CD1-CD2 3.52Å; F393-L507 HydrophobicContact CD1-CG 4.41Å; F393-L507 HydrophobicContact CE1-CD2 3.79Å; F393-L507 HydrophobicContact CG-CD2 3.91Å; F393-L507 HydrophobicContact CZ-CD2 4.45Å; V477-L507 HydrophobicContact CG1-CD1 4.29Å; V477-L507 HydrophobicContact CG1-CG 4.22Å; S478-L507 WeakPolarHBondContact O-CB 3.44Å; S478-L507 PolarHBondContact O-N 2.65Å; Y479-L507 HydrophobicContact CD2-CD1 4.1Å
508	L	92.7	Very high	89	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.4	-177.1	-55.7	177.9	0	0	0	109.7	L382 V383 T384 A385 V481 N506 F513 F516	L382-L508 HydrophobicContact CB-CD1 4.43Å; L382-L508 HydrophobicContact CD2-CD1 4.11Å; V383-L508 PolarHBondContact O-N 3.46Å; T384-L508 WeakPolarHBondContact CA-O 3.3Å; A385-L508 PolarHBondContact N-O 2.91Å; V481-L508 HydrophobicContact CB-CD2 4.22Å; V481-L508 HydrophobicContact CG1-CD2 3.87Å; V481-L508 HydrophobicContact CG2-CD2 3.53Å; N506-L508 HydrophobicContact CB-CD2 4.47Å; N506-L508 HydrophobicContact CB-CG 4.47Å; L508-F513 HydrophobicContact CB-CB 4.45Å; L508-F513 HydrophobicContact CD1-CD2 3.99Å; L508-F516 HydrophobicContact CD1-CB 4.13Å; L508-F516 HydrophobicContact CD1-CD1 3.74Å; L508-F516 HydrophobicContact CD1-CG 4.25Å; L508-F516 HydrophobicContact CD2-CB 4.43Å; L508-F516 HydrophobicContact CD2-CD1 4.11Å; L508-F516 HydrophobicContact CD2-CG 4.23Å
509	S	90.4	Very high	89.3	Confident	25 Å²	25	61.4 Å²	61.4	18%	0.175	30%	0.301	C	S	.	.			trans	-70.8	159.4	164.1	-63.8	0	0	0	0	110.3	R390 N511 Q512 F513	R390-S509 PolarHBondContact NH2-OG 3.07Å; S509-N511 VanDerWaalsContact C-N 3.26Å; S509-N511 PolarHBondContact O-N 3.19Å; S509-Q512 VanDerWaalsContact N-OE1 3.15Å; S509-Q512 PolarHBondContact O-N 3.36Å; S509-Q512 PolarHBondContact OG-OE1 3.43Å; S509-F513 PolarHBondContact O-N 3.24Å
510	T	88	Confident	89.6	Confident	100 Å²	100	59.5 Å²	59.5	61%	0.613	28%	0.281	S	S	*	.	H	α-helix	trans	-51.7	-44.1	-179.7	-47.5	0	0	0	0	112.5	Q512 F513	T510-Q512 VanDerWaalsContact C-N 3.34Å; T510-Q512 PolarHBondContact O-N 3.19Å; T510-F513 WeakPolarHBondContact O-CB 3.4Å; T510-F513 PolarHBondContact O-N 2.95Å
511	N	87.7	Confident	89.5	Confident	136 Å²	136	59.7 Å²	59.7	73%	0.727	28%	0.282	S	S	*	.	H	α-helix	trans	-69.2	-32.6	-179.4	-57.8	-1.6	0	0	0	112.2	S509 H515	S509-N511 VanDerWaalsContact C-N 3.26Å; S509-N511 PolarHBondContact O-N 3.19Å; N511-H515 PolarHBondContact O-CD2 2.85Å; N511-H515 VanDerWaalsContact O-CD2 3.3Å
512	Q	88.9	Confident	88.9	Confident	76 Å²	76	57 Å²	57	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-79.3	-27.3	-179.1	-67.4	167.4	-27.5	0	0	112.2	V481 S509 T510 Y514 H515 F516	V481-Q512 HydrophobicContact CG2-CB 4.14Å; V481-Q512 HydrophobicContact CG2-CG 4.2Å; S509-Q512 VanDerWaalsContact N-OE1 3.15Å; S509-Q512 PolarHBondContact O-N 3.36Å; S509-Q512 PolarHBondContact OG-OE1 3.43Å; T510-Q512 VanDerWaalsContact C-N 3.34Å; T510-Q512 PolarHBondContact O-N 3.19Å; Q512-Y514 PolarHBondContact O-N 3.02Å; Q512-H515 PolarHBondContact O-N 2.92Å; Q512-F516 WeakPolarHBondContact O-CB 3.24Å; Q512-F516 PolarHBondContact O-N 3.44Å
513	F	88.5	Confident	88	Confident	26 Å²	26	57.2 Å²	57.2	11%	0.114	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-46.8	-175.7	-175.8	-88.3	0	0	0	112.7	L382 L508 S509 T510 K517 Q530	L382-F513 HydrophobicContact CB-CD2 4.47Å; L382-F513 HydrophobicContact CB-CE2 3.74Å; L382-F513 HydrophobicContact CD1-CE2 4.15Å; L382-F513 HydrophobicContact CD1-CZ 4.42Å; L508-F513 HydrophobicContact CB-CB 4.45Å; L508-F513 HydrophobicContact CD1-CD2 3.99Å; S509-F513 PolarHBondContact O-N 3.24Å; T510-F513 WeakPolarHBondContact O-CB 3.4Å; T510-F513 PolarHBondContact O-N 2.95Å; F513-K517 HydrophobicContact CE1-CD 3.75Å; F513-K517 HydrophobicContact CZ-CD 4.08Å; F513-K517 WeakPolarHBondContact O-CB 3.48Å; F513-K517 PolarHBondContact O-N 2.96Å; F513-Q530 HydrophobicContact CE2-CG 3.97Å; F513-Q530 HydrophobicContact CZ-CG 3.83Å; F513-Q530 VanDerWaalsContact CZ-OE1 3.27Å
514	Y	86	Confident	86.9	Confident	163 Å²	163	57.8 Å²	57.8	64%	0.639	29%	0.285	S	S	*	.	H	α-helix	trans	-65.3	-49.1	-177.9	-179.5	-93.7	0	0	0	112	Q512 K517 K518	Q512-Y514 PolarHBondContact O-N 3.02Å; Y514-K517 PolarHBondContact O-N 3.5Å; Y514-K518 WeakPolarHBondContact O-CB 3.4Å; Y514-K518 PolarHBondContact O-N 3.2Å
515	H	87.5	Confident	86	Confident	120 Å²	120	59.5 Å²	59.5	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-61.5	-49.6	179.7	-67.2	-70.9	0	0	0	111.4	N511 Q512 K517 K518 D519	N511-H515 PolarHBondContact O-CD2 2.85Å; N511-H515 VanDerWaalsContact O-CD2 3.3Å; Q512-H515 PolarHBondContact O-N 2.92Å; H515-K517 VanDerWaalsContact C-N 3.35Å; H515-K517 PolarHBondContact O-N 3.06Å; H515-K518 WeakPolarHBondContact O-CB 3.5Å; H515-K518 PolarHBondContact O-N 2.63Å; H515-K518 VanDerWaalsContact O-N 3.12Å; H515-D519 VanDerWaalsContact O-CG 3.27Å; H515-D519 PolarHBondContact O-N 2.9Å
516	F	89	Confident	84.5	Confident	10 Å²	10	67 Å²	67	4%	0.044	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-38.9	-179.3	-165.3	-106.8	0	0	0	112.3	L382 V481 P482 Y488 L508 Q512 K518 D519 L520	L382-F516 HydrophobicContact CD2-CD1 4.21Å; L382-F516 HydrophobicContact CD2-CE1 4.13Å; V481-F516 HydrophobicContact CG1-CD2 3.86Å; V481-F516 HydrophobicContact CG1-CE2 4.2Å; V481-F516 HydrophobicContact CG1-CG 4.42Å; P482-F516 HydrophobicContact CG-CE2 4.24Å; P482-F516 HydrophobicContact CG-CZ 4.13Å; Y488-F516 HydrophobicContact CD1-CZ 4.32Å; Y488-F516 HydrophobicContact CD2-CE1 4.46Å; Y488-F516 AromaticContact CD2-CZ 3.83Å; Y488-F516 HydrophobicContact CD2-CZ 3.83Å; Y488-F516 HydrophobicContact CE2-CZ 4.36Å; Y488-F516 AromaticContact CG-CZ 3.79Å; Y488-F516 HydrophobicContact CG-CZ 3.79Å; L508-F516 HydrophobicContact CD1-CB 4.13Å; L508-F516 HydrophobicContact CD1-CD1 3.74Å; L508-F516 HydrophobicContact CD1-CG 4.25Å; L508-F516 HydrophobicContact CD2-CB 4.43Å; L508-F516 HydrophobicContact CD2-CD1 4.11Å; L508-F516 HydrophobicContact CD2-CG 4.23Å; Q512-F516 WeakPolarHBondContact O-CB 3.24Å; Q512-F516 PolarHBondContact O-N 3.44Å; F516-K518 VanDerWaalsContact C-N 3.33Å; F516-K518 PolarHBondContact O-N 3.26Å; F516-D519 PolarHBondContact O-N 3.33Å; F516-L520 HydrophobicContact CD1-CD1 3.71Å; F516-L520 HydrophobicContact CD1-CG 4.28Å; F516-L520 HydrophobicContact CE1-CD1 3.58Å; F516-L520 HydrophobicContact CE1-CD2 4.47Å; F516-L520 HydrophobicContact CE1-CG 4.16Å; F516-L520 HydrophobicContact CZ-CD1 4.38Å; F516-L520 VanDerWaalsContact O-CG 3.3Å; F516-L520 WeakPolarHBondContact O-CG 3.33Å; F516-L520 PolarHBondContact O-N 2.84Å
517	K	88.3	Confident	83.3	Confident	80 Å²	80	75 Å²	75	35%	0.348	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-36.3	175.2	-172.7	175	-175.7	176.5	0	111.9	F513 Y514 H515 K521	F513-K517 HydrophobicContact CE1-CD 3.75Å; F513-K517 HydrophobicContact CZ-CD 4.08Å; F513-K517 WeakPolarHBondContact O-CB 3.48Å; F513-K517 PolarHBondContact O-N 2.96Å; Y514-K517 PolarHBondContact O-N 3.5Å; H515-K517 VanDerWaalsContact C-N 3.35Å; H515-K517 PolarHBondContact O-N 3.06Å; K517-K521 WeakPolarHBondContact O-CG 3.35Å; K517-K521 PolarHBondContact O-N 3.45Å; K517-K521 VanDerWaalsContact O-N 3.15Å
518	K	86.4	Confident	82.7	Confident	112 Å²	112	76.7 Å²	76.7	49%	0.487	37%	0.368	S	S	.	.	H	α-helix	trans	-64.2	-47.2	174.4	-177	-176.8	175.9	-175.6	0	110.7	Y514 H515 F516 L520 K521 L522	Y514-K518 WeakPolarHBondContact O-CB 3.4Å; Y514-K518 PolarHBondContact O-N 3.2Å; H515-K518 WeakPolarHBondContact O-CB 3.5Å; H515-K518 PolarHBondContact O-N 2.63Å; H515-K518 VanDerWaalsContact O-N 3.12Å; F516-K518 VanDerWaalsContact C-N 3.33Å; F516-K518 PolarHBondContact O-N 3.26Å; K518-L520 VanDerWaalsContact C-N 3.35Å; K518-L520 PolarHBondContact O-N 2.88Å; K518-K521 WeakPolarHBondContact O-CB 3.34Å; K518-K521 PolarHBondContact O-N 2.81Å; K518-K521 VanDerWaalsContact O-N 3.15Å; K518-L522 HydrophobicContact CG-CD1 4.48Å; K518-L522 WeakPolarHBondContact O-CG 3.25Å; K518-L522 PolarHBondContact O-N 3.41Å
519	D	85.3	Confident	82.4	Confident	66 Å²	66	82 Å²	82	35%	0.353	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-41	179.4	-69.7	-8.4	0	0	0	112.2	I485 H515 F516 L522 A523	I485-D519 HydrophobicContact CD1-CB 3.91Å; I485-D519 HydrophobicContact CG1-CB 4.03Å; H515-D519 VanDerWaalsContact O-CG 3.27Å; H515-D519 PolarHBondContact O-N 2.9Å; F516-D519 PolarHBondContact O-N 3.33Å; D519-L522 PolarHBondContact O-N 2.87Å; D519-A523 PolarHBondContact O-N 2.88Å
520	L	85.1	Confident	82.3	Confident	2 Å²	2	85.2 Å²	85.2	1%	0.01	40%	0.403	C	S	.	.	H	α-helix	trans	-65.1	-38.6	174.3	-70.2	174	0	0	0	112.9	L382 I485 Y488 F516 K518 L522 A523 G524 R525 I528	L382-L520 HydrophobicContact CD1-CD1 4.39Å; L382-L520 HydrophobicContact CD2-CD1 4.27Å; I485-L520 HydrophobicContact CG2-CD2 4.45Å; Y488-L520 HydrophobicContact CD1-CD2 3.59Å; Y488-L520 HydrophobicContact CE1-CD2 3.5Å; Y488-L520 VanDerWaalsContact CE1-CD2 3.5Å; F516-L520 HydrophobicContact CD1-CD1 3.71Å; F516-L520 HydrophobicContact CD1-CG 4.28Å; F516-L520 HydrophobicContact CE1-CD1 3.58Å; F516-L520 HydrophobicContact CE1-CD2 4.47Å; F516-L520 HydrophobicContact CE1-CG 4.16Å; F516-L520 HydrophobicContact CZ-CD1 4.38Å; F516-L520 VanDerWaalsContact O-CG 3.3Å; F516-L520 WeakPolarHBondContact O-CG 3.33Å; F516-L520 PolarHBondContact O-N 2.84Å; K518-L520 VanDerWaalsContact C-N 3.35Å; K518-L520 PolarHBondContact O-N 2.88Å; L520-L522 VanDerWaalsContact C-N 3.35Å; L520-A523 CarbonylContact O-C 3.54Å; L520-A523 PolarHBondContact O-N 2.94Å; L520-G524 PolarHBondContact O-N 2.74Å; L520-R525 HydrophobicContact CB-CB 4.34Å; L520-R525 WeakPolarHBondContact O-CB 3.41Å; L520-R525 PolarHBondContact O-N 2.84Å; L520-I528 HydrophobicContact CB-CD1 4.15Å; L520-I528 HydrophobicContact CD1-CD1 3.42Å; L520-I528 VanDerWaalsContact CD1-CD1 3.42Å; L520-I528 HydrophobicContact CG-CD1 4.24Å
521	K	82.4	Confident	82.2	Confident	120 Å²	120	82 Å²	82	52%	0.522	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-41.4	175	-76.6	179.3	177.1	-170.9	0	111.4	K517 K518 A523 G524	K517-K521 WeakPolarHBondContact O-CG 3.35Å; K517-K521 PolarHBondContact O-N 3.45Å; K517-K521 VanDerWaalsContact O-N 3.15Å; K518-K521 WeakPolarHBondContact O-CB 3.34Å; K518-K521 PolarHBondContact O-N 2.81Å; K518-K521 VanDerWaalsContact O-N 3.15Å; K521-A523 VanDerWaalsContact C-N 3.28Å; K521-A523 PolarHBondContact O-N 2.8Å; K521-G524 PolarHBondContact O-N 3.06Å
522	L	77.9	Confident	81.9	Confident	133 Å²	133	82.2 Å²	82.2	70%	0.696	38%	0.379	S	S	*	.	H	α-helix	trans	-62.3	-37.4	175.2	-69	171.7	0	0	0	111.5	K518 D519 L520 G524	K518-L522 HydrophobicContact CG-CD1 4.48Å; K518-L522 WeakPolarHBondContact O-CG 3.25Å; K518-L522 PolarHBondContact O-N 3.41Å; D519-L522 PolarHBondContact O-N 2.87Å; L520-L522 VanDerWaalsContact C-N 3.35Å; L522-G524 PolarHBondContact O-N 3.47Å; L522-G524 VanDerWaalsContact O-N 3.14Å
523	A	72.8	Confident	81.7	Confident	6 Å²	6	79.2 Å²	79.2	5%	0.05	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	8.5	172.3	0	0	0	0	0	114.9	F372 I485 D519 L520 K521	F372-A523 HydrophobicContact CD2-CB 3.94Å; F372-A523 HydrophobicContact CE2-CB 4.21Å; I485-A523 HydrophobicContact CD1-CB 4.32Å; I485-A523 HydrophobicContact CG2-CB 3.87Å; D519-A523 PolarHBondContact O-N 2.88Å; L520-A523 CarbonylContact O-C 3.54Å; L520-A523 PolarHBondContact O-N 2.94Å; K521-A523 VanDerWaalsContact C-N 3.28Å; K521-A523 PolarHBondContact O-N 2.8Å
524	G	71.1	Confident	81.3	Confident	23 Å²	23	83.5 Å²	83.5	24%	0.237	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	14.3	177.2	0	0	0	0	0	115.4	L520 K521 L522	L520-G524 PolarHBondContact O-N 2.74Å; K521-G524 PolarHBondContact O-N 3.06Å; L522-G524 PolarHBondContact O-N 3.47Å; L522-G524 VanDerWaalsContact O-N 3.14Å
525	R	74.5	Confident	81	Confident	36 Å²	36	81.4 Å²	81.4	14%	0.136	38%	0.381	C	S	.	.			trans	-99.6	94.2	179.8	-56.7	-61.9	-136.9	105.9	46	111	V374 E380 L520 I528	V374-R525 VanDerWaalsContact CB-NH2 3.31Å; V374-R525 VanDerWaalsContact CG2-CZ 3.48Å; E380-R525 IonicContact OE1-CZ 2.65Å; E380-R525 IonicContact OE1-NH1 2.59Å; E380-R525 PolarHBondContact OE1-NH1 3.38Å; E380-R525 IonicContact OE1-NH2 3.15Å; E380-R525 PolarHBondContact OE1-NH2 3.49Å; E380-R525 IonicContact OE2-CZ 3.75Å; E380-R525 IonicContact OE2-NH2 2.71Å; E380-R525 PolarHBondContact OE2-NH2 3.09Å; L520-R525 HydrophobicContact CB-CB 4.34Å; L520-R525 WeakPolarHBondContact O-CB 3.41Å; L520-R525 PolarHBondContact O-N 2.84Å; R525-I528 HydrophobicContact CB-CD1 4.07Å
526	K	63	Low	80.7	Confident	171 Å²	171	79.2 Å²	79.2	74%	0.743	38%	0.379	S	S	*	.			trans	-92.4	-26	-176.1	-66.1	-175.4	-178.7	177.5	0	114.9
527	K	69.5	Low	80.4	Confident	169 Å²	169	81.6 Å²	81.6	74%	0.735	39%	0.389	S	S	*	.			trans	-110.4	70.2	-170.1	-63	178.7	-175.9	170.3	0	112.3	D318	D318-K527 IonicContact OD1-NZ 3.1Å; D318-K527 PolarHBondContact OD1-NZ 3.38Å
528	I	81.8	Confident	80	Confident	36 Å²	36	79.3 Å²	79.3	19%	0.185	38%	0.378	C	S	.	.			trans	-111.3	128.7	177.2	-53.4	177	0	0	0	110.5	E380 L382 L520 R525	E380-I528 HydrophobicContact CB-CG2 3.95Å; L382-I528 HydrophobicContact CD1-CG2 4.23Å; L382-I528 HydrophobicContact CD2-CG2 4.28Å; L382-I528 HydrophobicContact CG-CG2 3.73Å; L520-I528 HydrophobicContact CB-CD1 4.15Å; L520-I528 HydrophobicContact CD1-CD1 3.42Å; L520-I528 VanDerWaalsContact CD1-CD1 3.42Å; L520-I528 HydrophobicContact CG-CD1 4.24Å; R525-I528 HydrophobicContact CB-CD1 4.07Å
529	K	87.5	Confident	79.8	Confident	112 Å²	112	76.2 Å²	76.2	49%	0.487	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.3	-178.6	-63.2	176.8	-176.1	175.1	0	109.7	E379 E380 F381 L382	E379-K529 IonicContact OE1-NZ 2.91Å; E379-K529 PolarHBondContact OE1-NZ 2.71Å; E380-K529 PolarHBondContact O-N 2.96Å; F381-K529 CarbonylContact C-O 3.55Å; F381-K529 WeakPolarHBondContact CA-O 3.37Å; F381-K529 HydrophobicContact CD1-CB 3.72Å; F381-K529 HydrophobicContact CD1-CD 4.33Å; F381-K529 HydrophobicContact CE1-CB 3.85Å; F381-K529 HydrophobicContact CE1-CD 3.59Å; F381-K529 HydrophobicContact CE1-CG 4.35Å; F381-K529 HydrophobicContact CZ-CD 3.98Å; L382-K529 PolarHBondContact N-O 2.9Å
530	Q	87.9	Confident	79.8	Confident	93 Å²	93	80.3 Å²	80.3	44%	0.435	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.2	173.5	-179.6	175.5	-9.9	0	0	109.4	F513	F513-Q530 HydrophobicContact CE2-CG 3.97Å; F513-Q530 HydrophobicContact CZ-CG 3.83Å; F513-Q530 VanDerWaalsContact CZ-OE1 3.27Å
531	L	85.1	Confident	79.8	Confident	31 Å²	31	81.1 Å²	81.1	16%	0.162	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.9	177	-174.7	149.6	0	0	0	109.5	L382 V383 F393	L382-L531 PolarHBondContact O-N 2.94Å; V383-L531 WeakPolarHBondContact CA-O 3.47Å; V383-L531 HydrophobicContact CG1-CD2 4.16Å; V383-L531 HydrophobicContact CG2-CB 4.33Å; V383-L531 HydrophobicContact CG2-CD2 4.33Å; F393-L531 HydrophobicContact CE2-CD2 4.26Å
532	Q	81.5	Confident	79.9	Confident	141 Å²	141	78.2 Å²	78.2	66%	0.659	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.8	170.7	-65.1	-173.1	0.5	0	0	109.7	H534 K537	Q532-H534 PolarHBondContact O-N 2.66Å; Q532-K537 PolarHBondContact O-NZ 3.47Å
533	F	84.6	Confident	80.3	Confident	13 Å²	13	75.5 Å²	75.5	6%	0.057	38%	0.378	C	S	.	.			trans	-91.4	74.7	178.6	-168.4	-130.4	0	0	0	110.5	V383 I389 L392 F393 Y396 K537 W538	V383-F533 HydrophobicContact CG1-CB 3.91Å; I389-F533 HydrophobicContact CD1-CD1 4.24Å; L392-F533 HydrophobicContact CB-CE1 4.47Å; F393-F533 HydrophobicContact CB-CD1 4.3Å; F393-F533 HydrophobicContact CB-CE1 3.88Å; F393-F533 HydrophobicContact CB-CZ 4.11Å; F393-F533 HydrophobicContact CD2-CB 4.47Å; F393-F533 HydrophobicContact CD2-CD1 4.02Å; F393-F533 AromaticContact CD2-CD2 3.65Å; F393-F533 HydrophobicContact CD2-CD2 3.65Å; F393-F533 HydrophobicContact CD2-CE1 4.09Å; F393-F533 AromaticContact CD2-CE2 3.74Å; F393-F533 HydrophobicContact CD2-CE2 3.74Å; F393-F533 AromaticContact CD2-CG 3.8Å; F393-F533 HydrophobicContact CD2-CG 3.8Å; F393-F533 AromaticContact CD2-CZ 3.94Å; F393-F533 HydrophobicContact CD2-CZ 3.94Å; F393-F533 HydrophobicContact CE2-CD2 4.11Å; F393-F533 HydrophobicContact CE2-CE2 4.41Å; F393-F533 HydrophobicContact CE2-CG 4.45Å; Y396-F533 AromaticContact CD1-CE2 3.87Å; Y396-F533 HydrophobicContact CD1-CE2 3.87Å; Y396-F533 HydrophobicContact CD2-CE2 4.12Å; Y396-F533 HydrophobicContact CE1-CE2 4.36Å; Y396-F533 AromaticContact CG-CE2 3.74Å; Y396-F533 HydrophobicContact CG-CE2 3.74Å; Y396-F533 HydrophobicContact CG-CZ 4.22Å; F533-K537 HydrophobicContact CD2-CB 4.16Å; F533-K537 HydrophobicContact CD2-CD 4.07Å; F533-K537 HydrophobicContact CE2-CB 3.79Å; F533-K537 HydrophobicContact CE2-CD 4.37Å; F533-W538 AromaticContact CD1-CD1 3.68Å; F533-W538 HydrophobicContact CE1-CB 3.99Å; F533-W538 AromaticContact CE1-CD1 3.35Å; F533-W538 AromaticContact CE1-CG 3.87Å; F533-W538 HydrophobicContact CE1-CG 3.87Å; F533-W538 HydrophobicContact CE2-CB 4.5Å; F533-W538 HydrophobicContact CZ-CB 3.67Å; F533-W538 AromaticContact CZ-CD1 3.65Å; F533-W538 HydrophobicContact CZ-CG 4Å
534	H	81.1	Confident	81	Confident	117 Å²	117	77.5 Å²	77.5	54%	0.542	39%	0.386	S	S	.	.			trans	-63.3	150.7	-178.7	-166.6	-92.9	0	0	0	112.6	Q532 S536 K537	Q532-H534 PolarHBondContact O-N 2.66Å; H534-S536 PolarHBondContact ND1-N 3.49Å; H534-S536 PolarHBondContact ND1-OG 3.21Å; H534-S536 PolarHBondContact O-N 3.41Å; H534-K537 PolarHBondContact O-N 3.48Å
535	Q	79.9	Confident	81.7	Confident	119 Å²	119	77.4 Å²	77.4	56%	0.556	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-55.3	-35.8	-176	-173	169.1	9.7	0	0	114.1	K537 W538 S539	Q535-K537 PolarHBondContact O-N 2.95Å; Q535-K537 VanDerWaalsContact O-N 3.1Å; Q535-W538 HydrophobicContact CB-CZ2 4.06Å; Q535-W538 HydrophobicContact CG-CH2 3.95Å; Q535-W538 HydrophobicContact CG-CZ2 3.7Å; Q535-W538 PolarHBondContact O-N 2.79Å; Q535-W538 VanDerWaalsContact O-N 3.08Å; Q535-S539 WeakPolarHBondContact O-CB 3.11Å; Q535-S539 PolarHBondContact O-N 2.81Å
536	S	81	Confident	82.4	Confident	73 Å²	73	79.3 Å²	79.3	51%	0.51	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-56.3	-26.3	177.3	52.2	0	0	0	0	114.1	H534	H534-S536 PolarHBondContact ND1-N 3.49Å; H534-S536 PolarHBondContact ND1-OG 3.21Å; H534-S536 PolarHBondContact O-N 3.41Å
537	K	81.1	Confident	83.5	Confident	61 Å²	61	74.7 Å²	74.7	27%	0.265	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-77.8	-23.7	-179.8	-67.4	178.4	179.2	168.6	0	113.2	Y396 Q400 Q532 F533 H534 Q535	Y396-K537 HydrophobicContact CD2-CB 4.11Å; Y396-K537 HydrophobicContact CE2-CB 3.95Å; Y396-K537 HydrophobicContact CE2-CD 4.1Å; Y396-K537 HydrophobicContact CE2-CG 4.18Å; Q400-K537 PolarHBondContact NE2-O 3.47Å; Q532-K537 PolarHBondContact O-NZ 3.47Å; F533-K537 HydrophobicContact CD2-CB 4.16Å; F533-K537 HydrophobicContact CD2-CD 4.07Å; F533-K537 HydrophobicContact CE2-CB 3.79Å; F533-K537 HydrophobicContact CE2-CD 4.37Å; H534-K537 PolarHBondContact O-N 3.48Å; Q535-K537 PolarHBondContact O-N 2.95Å; Q535-K537 VanDerWaalsContact O-N 3.1Å
538	W	81.5	Confident	84.3	Confident	31 Å²	31	66.7 Å²	66.7	12%	0.117	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-10.2	-170.9	60.9	-101.8	0	0	0	115.2	I389 L392 F533 Q535 H540 F541 N542	I389-W538 HydrophobicContact CG2-CH2 4.06Å; I389-W538 HydrophobicContact CG2-CZ2 3.81Å; L392-W538 HydrophobicContact CB-CB 4.14Å; L392-W538 HydrophobicContact CD1-CB 4.22Å; L392-W538 HydrophobicContact CD1-CD2 3.91Å; L392-W538 HydrophobicContact CD1-CE3 3.43Å; L392-W538 VanDerWaalsContact CD1-CE3 3.43Å; L392-W538 HydrophobicContact CD1-CG 4.28Å; L392-W538 HydrophobicContact CD1-CZ3 4.08Å; F533-W538 AromaticContact CD1-CD1 3.68Å; F533-W538 HydrophobicContact CE1-CB 3.99Å; F533-W538 AromaticContact CE1-CD1 3.35Å; F533-W538 AromaticContact CE1-CG 3.87Å; F533-W538 HydrophobicContact CE1-CG 3.87Å; F533-W538 HydrophobicContact CE2-CB 4.5Å; F533-W538 HydrophobicContact CZ-CB 3.67Å; F533-W538 AromaticContact CZ-CD1 3.65Å; F533-W538 HydrophobicContact CZ-CG 4Å; Q535-W538 HydrophobicContact CB-CZ2 4.06Å; Q535-W538 HydrophobicContact CG-CH2 3.95Å; Q535-W538 HydrophobicContact CG-CZ2 3.7Å; Q535-W538 PolarHBondContact O-N 2.79Å; Q535-W538 VanDerWaalsContact O-N 3.08Å; W538-H540 PolarHBondContact O-N 2.89Å; W538-H540 VanDerWaalsContact O-N 3.15Å; W538-F541 PolarHBondContact O-N 3.2Å; W538-N542 HydrophobicContact CE3-CB 4.48Å; W538-N542 HydrophobicContact CZ3-CB 4.31Å; W538-N542 PolarHBondContact O-N 2.99Å
539	S	81.4	Confident	84.5	Confident	47 Å²	47	67 Å²	67	33%	0.329	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-49.7	-41.8	179.5	53.6	0	0	0	0	112.8	Q535 F541 N542	Q535-S539 WeakPolarHBondContact O-CB 3.11Å; Q535-S539 PolarHBondContact O-N 2.81Å; S539-F541 PolarHBondContact O-N 3.08Å; S539-N542 WeakPolarHBondContact O-CB 3.41Å; S539-N542 PolarHBondContact O-N 3.48Å; S539-N542 VanDerWaalsContact O-N 3.12Å
540	H	86	Confident	84.5	Confident	152 Å²	152	68.9 Å²	68.9	70%	0.704	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-62.7	-21.7	178.9	-57.1	-71.3	0	0	0	114.3	W538	W538-H540 PolarHBondContact O-N 2.89Å; W538-H540 VanDerWaalsContact O-N 3.15Å
541	F	85.1	Confident	84.3	Confident	20 Å²	20	68 Å²	68	9%	0.088	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-95.6	-7.9	178.8	-55.7	-52	0	0	0	113.2	L392 V395 R399 Q400 W538 S539 A543 E544 Y545	L392-F541 HydrophobicContact CD2-CB 3.79Å; V395-F541 HydrophobicContact CG1-CD1 4.17Å; V395-F541 HydrophobicContact CG1-CD2 4.15Å; V395-F541 HydrophobicContact CG1-CE1 4.42Å; V395-F541 HydrophobicContact CG1-CE2 4.4Å; V395-F541 HydrophobicContact CG1-CG 4.03Å; R399-F541 HydrophobicContact CB-CZ 4.15Å; Q400-F541 HydrophobicContact CG-CE2 4.41Å; Q400-F541 HydrophobicContact CG-CZ 4.21Å; W538-F541 PolarHBondContact O-N 3.2Å; S539-F541 PolarHBondContact O-N 3.08Å; F541-A543 VanDerWaalsContact C-N 3.33Å; F541-A543 PolarHBondContact O-N 2.79Å; F541-E544 PolarHBondContact O-N 3.14Å; F541-Y545 WeakPolarHBondContact O-CB 3.36Å; F541-Y545 PolarHBondContact O-N 3.32Å
542	N	84	Confident	84.1	Confident	59 Å²	59	68.3 Å²	68.3	32%	0.316	34%	0.344	S	S	.	.	H	α-helix	trans	-62.8	-39.4	-173.4	-165.8	26.5	0	0	0	111.9	W538 S539 Y545 Q546	W538-N542 HydrophobicContact CE3-CB 4.48Å; W538-N542 HydrophobicContact CZ3-CB 4.31Å; W538-N542 PolarHBondContact O-N 2.99Å; S539-N542 WeakPolarHBondContact O-CB 3.41Å; S539-N542 PolarHBondContact O-N 3.48Å; S539-N542 VanDerWaalsContact O-N 3.12Å; N542-Y545 WeakPolarHBondContact O-CB 3.27Å; N542-Y545 PolarHBondContact O-N 3.32Å; N542-Q546 VanDerWaalsContact O-CG 3.31Å; N542-Q546 WeakPolarHBondContact O-CG 3.5Å; N542-Q546 PolarHBondContact O-N 3.18Å
543	A	85.8	Confident	84.3	Confident	76 Å²	76	65.8 Å²	65.8	63%	0.628	33%	0.332	S	S	*	.	H	α-helix	trans	-61.4	-46.4	177.1	0	0	0	0	0	112.4	F541 Y545 Q546 V547	F541-A543 VanDerWaalsContact C-N 3.33Å; F541-A543 PolarHBondContact O-N 2.79Å; A543-Y545 VanDerWaalsContact C-N 3.32Å; A543-Y545 PolarHBondContact O-N 3.38Å; A543-Q546 PolarHBondContact O-N 3.24Å; A543-V547 WeakPolarHBondContact O-CG2 3.26Å; A543-V547 PolarHBondContact O-N 3.03Å
544	E	87.3	Confident	84.2	Confident	47 Å²	47	70.5 Å²	70.5	22%	0.22	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-37.7	176.8	-170.3	179	179.4	0	0	111.4	R399 F426 K427 F541 V547 A548	R399-E544 IonicContact CZ-OE1 3.09Å; R399-E544 IonicContact CZ-OE2 3.18Å; R399-E544 VanDerWaalsContact CZ-OE2 3.31Å; R399-E544 IonicContact NH1-OE1 2.76Å; R399-E544 IonicContact NH1-OE2 2.75Å; R399-E544 PolarHBondContact NH1-OE2 3.17Å; R399-E544 IonicContact NH2-OE1 3.57Å; R399-E544 PolarHBondContact NH2-OE1 3.36Å; R399-E544 IonicContact NH2-OE2 3.7Å; R399-E544 PolarHBondContact NH2-OE2 3.1Å; F426-E544 HydrophobicContact CD1-CB 4.47Å; F426-E544 HydrophobicContact CD1-CG 3.79Å; F426-E544 HydrophobicContact CE1-CB 4.32Å; F426-E544 HydrophobicContact CE1-CG 4.09Å; K427-E544 PolarHBondContact N-OE1 3.41Å; F541-E544 PolarHBondContact O-N 3.14Å; E544-V547 PolarHBondContact O-N 2.65Å; E544-A548 VanDerWaalsContact O-CB 3.29Å; E544-A548 WeakPolarHBondContact O-CB 3.34Å; E544-A548 PolarHBondContact O-N 3.03Å
545	Y	87.2	Confident	84	Confident	22 Å²	22	67.9 Å²	67.9	9%	0.086	35%	0.351	C	S	.	.	H	α-helix	trans	-62.9	-43.1	176	176.4	-117.4	0	0	0	112.9	D388 V391 L392 L422 F426 F541 N542 A543 V547 A548 L549	D388-Y545 PolarHBondContact O-OH 2.96Å; V391-Y545 HydrophobicContact CB-CE2 4.06Å; V391-Y545 HydrophobicContact CG1-CE2 4.29Å; V391-Y545 HydrophobicContact CG2-CE2 4.41Å; L392-Y545 HydrophobicContact CD1-CD1 4.44Å; L392-Y545 HydrophobicContact CD2-CD2 4.26Å; L392-Y545 HydrophobicContact CD2-CG 3.91Å; L392-Y545 HydrophobicContact CG-CG 4.27Å; L422-Y545 HydrophobicContact CD2-CE2 4.07Å; F426-Y545 HydrophobicContact CE2-CD2 4.27Å; F426-Y545 AromaticContact CZ-CD2 3.74Å; F426-Y545 HydrophobicContact CZ-CD2 3.74Å; F426-Y545 HydrophobicContact CZ-CG 4.32Å; F541-Y545 WeakPolarHBondContact O-CB 3.36Å; F541-Y545 PolarHBondContact O-N 3.32Å; N542-Y545 WeakPolarHBondContact O-CB 3.27Å; N542-Y545 PolarHBondContact O-N 3.32Å; A543-Y545 VanDerWaalsContact C-N 3.32Å; A543-Y545 PolarHBondContact O-N 3.38Å; Y545-V547 VanDerWaalsContact C-N 3.32Å; Y545-V547 PolarHBondContact O-N 3.02Å; Y545-A548 WeakPolarHBondContact O-CB 3.4Å; Y545-A548 PolarHBondContact O-N 2.87Å; Y545-L549 HydrophobicContact CE1-CD1 4.39Å; Y545-L549 HydrophobicContact CE2-CD1 4.37Å; Y545-L549 VanDerWaalsContact O-CB 3.31Å; Y545-L549 WeakPolarHBondContact O-CB 3.09Å; Y545-L549 PolarHBondContact O-N 3.42Å
546	Q	87.3	Confident	83.9	Confident	76 Å²	76	65 Å²	65	36%	0.355	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-39.6	176.1	-67	-59.9	-29	0	0	111.6	N542 A543 L549 R550	N542-Q546 VanDerWaalsContact O-CG 3.31Å; N542-Q546 WeakPolarHBondContact O-CG 3.5Å; N542-Q546 PolarHBondContact O-N 3.18Å; A543-Q546 PolarHBondContact O-N 3.24Å; Q546-L549 PolarHBondContact O-N 3.3Å; Q546-R550 VanDerWaalsContact O-CG 3.3Å; Q546-R550 WeakPolarHBondContact O-CG 3.36Å; Q546-R550 PolarHBondContact O-N 2.92Å
547	V	87.7	Confident	83.7	Confident	73 Å²	73	66.3 Å²	66.3	44%	0.442	34%	0.335	S	S	.	.	H	α-helix	trans	-65.5	-45.3	174.3	174.7	0	0	0	0	111.1	A543 E544 Y545 L549 R550 N551	A543-V547 WeakPolarHBondContact O-CG2 3.26Å; A543-V547 PolarHBondContact O-N 3.03Å; E544-V547 PolarHBondContact O-N 2.65Å; Y545-V547 VanDerWaalsContact C-N 3.32Å; Y545-V547 PolarHBondContact O-N 3.02Å; V547-L549 VanDerWaalsContact C-N 3.3Å; V547-L549 PolarHBondContact O-N 2.79Å; V547-R550 PolarHBondContact O-N 3.41Å; V547-N551 WeakPolarHBondContact O-CB 3.25Å; V547-N551 VanDerWaalsContact O-CG 3.24Å; V547-N551 PolarHBondContact O-N 2.83Å; V547-N551 PolarHBondContact O-ND2 2.77Å
548	A	85.9	Confident	83.5	Confident	1 Å²	1	66 Å²	66	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-58.6	-41.6	176.4	0	0	0	0	0	112.1	L422 S425 F426 E544 Y545 Y552	L422-A548 HydrophobicContact CD1-CB 4.07Å; S425-A548 WeakPolarHBondContact OG-CB 3.19Å; F426-A548 HydrophobicContact CD2-CB 4.4Å; F426-A548 HydrophobicContact CE2-CB 4.1Å; F426-A548 HydrophobicContact CZ-CB 4.35Å; E544-A548 VanDerWaalsContact O-CB 3.29Å; E544-A548 WeakPolarHBondContact O-CB 3.34Å; E544-A548 PolarHBondContact O-N 3.03Å; Y545-A548 WeakPolarHBondContact O-CB 3.4Å; Y545-A548 PolarHBondContact O-N 2.87Å; A548-Y552 VanDerWaalsContact O-CB 3.24Å; A548-Y552 WeakPolarHBondContact O-CB 3.35Å; A548-Y552 PolarHBondContact O-N 3.37Å
549	L	86.3	Confident	83.1	Confident	44 Å²	44	69.9 Å²	69.9	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-67.7	-44.6	178.2	-165.8	122.8	0	0	0	111.4	Y545 Q546 V547 N551 Y552 E553	Y545-L549 HydrophobicContact CE1-CD1 4.39Å; Y545-L549 HydrophobicContact CE2-CD1 4.37Å; Y545-L549 VanDerWaalsContact O-CB 3.31Å; Y545-L549 WeakPolarHBondContact O-CB 3.09Å; Y545-L549 PolarHBondContact O-N 3.42Å; Q546-L549 PolarHBondContact O-N 3.3Å; V547-L549 VanDerWaalsContact C-N 3.3Å; V547-L549 PolarHBondContact O-N 2.79Å; L549-N551 PolarHBondContact O-N 2.95Å; L549-Y552 WeakPolarHBondContact O-CB 3.47Å; L549-Y552 PolarHBondContact O-N 3.31Å; L549-E553 WeakPolarHBondContact CD2-OE1 3.3Å; L549-E553 WeakPolarHBondContact O-CG 3.3Å; L549-E553 PolarHBondContact O-N 2.85Å
550	R	85.9	Confident	82.6	Confident	150 Å²	150	69.6 Å²	69.6	57%	0.566	36%	0.359	S	S	*	.	H	α-helix	trans	-61.1	-44.1	173.7	-71.5	175.4	-165.6	169.2	2.9	112.4	Q546 V547 Y552 E553 M554	Q546-R550 VanDerWaalsContact O-CG 3.3Å; Q546-R550 WeakPolarHBondContact O-CG 3.36Å; Q546-R550 PolarHBondContact O-N 2.92Å; V547-R550 PolarHBondContact O-N 3.41Å; R550-Y552 VanDerWaalsContact C-N 3.27Å; R550-Y552 PolarHBondContact O-N 3.48Å; R550-E553 PolarHBondContact O-N 3.01Å; R550-M554 WeakPolarHBondContact O-CB 3.5Å; R550-M554 WeakPolarHBondContact O-CG 3.49Å; R550-M554 PolarHBondContact O-N 3.31Å
551	N	84	Confident	82.2	Confident	76 Å²	76	66.6 Å²	66.6	41%	0.406	35%	0.347	S	S	.	.	H	α-helix	trans	-62.6	-39.1	177	-71.7	-13.5	0	0	0	111.5	V547 L549 M554 S555	V547-N551 WeakPolarHBondContact O-CB 3.25Å; V547-N551 VanDerWaalsContact O-CG 3.24Å; V547-N551 PolarHBondContact O-N 2.83Å; V547-N551 PolarHBondContact O-ND2 2.77Å; L549-N551 PolarHBondContact O-N 2.95Å; N551-M554 PolarHBondContact O-N 2.95Å; N551-M554 VanDerWaalsContact OD1-CE 3.27Å; N551-M554 WeakPolarHBondContact OD1-CE 3.47Å; N551-S555 WeakPolarHBondContact O-CB 3.33Å; N551-S555 PolarHBondContact O-N 2.81Å
552	Y	82.2	Confident	81.5	Confident	37 Å²	37	71.4 Å²	71.4	15%	0.145	37%	0.37	C	S	.	.	H	α-helix	trans	-66.4	-46.1	175.7	175.2	-100.9	0	0	0	112.1	R418 M421 A548 L549 R550 M554 S555 I556	R418-Y552 VanDerWaalsContact CB-OH 3.26Å; R418-Y552 WeakPolarHBondContact CB-OH 3.4Å; R418-Y552 WeakPolarHBondContact CG-OH 3.18Å; M421-Y552 HydrophobicContact CB-CD2 3.88Å; M421-Y552 HydrophobicContact CB-CE2 3.69Å; M421-Y552 HydrophobicContact CE-CE2 3.59Å; M421-Y552 HydrophobicContact SD-CE2 4.29Å; A548-Y552 VanDerWaalsContact O-CB 3.24Å; A548-Y552 WeakPolarHBondContact O-CB 3.35Å; A548-Y552 PolarHBondContact O-N 3.37Å; L549-Y552 WeakPolarHBondContact O-CB 3.47Å; L549-Y552 PolarHBondContact O-N 3.31Å; R550-Y552 VanDerWaalsContact C-N 3.27Å; R550-Y552 PolarHBondContact O-N 3.48Å; Y552-M554 VanDerWaalsContact C-N 3.33Å; Y552-M554 PolarHBondContact O-N 2.82Å; Y552-S555 PolarHBondContact O-N 3Å; Y552-I556 HydrophobicContact CD1-CD1 3.98Å; Y552-I556 HydrophobicContact CE1-CD1 3.28Å; Y552-I556 HydrophobicContact CE1-CG1 4.28Å; Y552-I556 HydrophobicContact CE2-CD1 4.03Å; Y552-I556 HydrophobicContact CE2-CG1 4.39Å; Y552-I556 PolarHBondContact O-N 2.78Å; Y552-I556 WeakPolarHBondContact OH-CD1 3.4Å
553	E	84.6	Confident	80.9	Confident	87 Å²	87	73.7 Å²	73.7	41%	0.407	38%	0.381	S	S	.	.	H	α-helix	trans	-57.7	-45.3	172.8	-75.3	174.8	-176.2	0	0	111.3	L549 R550 S555 I556 K557	L549-E553 WeakPolarHBondContact CD2-OE1 3.3Å; L549-E553 WeakPolarHBondContact O-CG 3.3Å; L549-E553 PolarHBondContact O-N 2.85Å; R550-E553 PolarHBondContact O-N 3.01Å; E553-S555 VanDerWaalsContact C-N 3.35Å; E553-S555 PolarHBondContact O-N 3.04Å; E553-I556 PolarHBondContact O-N 3.11Å; E553-K557 WeakPolarHBondContact O-CB 3.45Å; E553-K557 VanDerWaalsContact O-CG 3.24Å; E553-K557 WeakPolarHBondContact O-CG 3.42Å; E553-K557 PolarHBondContact O-N 3.26Å
554	M	82.2	Confident	80.1	Confident	113 Å²	113	72.1 Å²	72.1	56%	0.557	36%	0.362	S	S	*	.	H	α-helix	trans	-61.5	-41.3	175	-73.8	-170	-66.9	0	0	112.1	R550 N551 Y552 K557 A558	R550-M554 WeakPolarHBondContact O-CB 3.5Å; R550-M554 WeakPolarHBondContact O-CG 3.49Å; R550-M554 PolarHBondContact O-N 3.31Å; N551-M554 PolarHBondContact O-N 2.95Å; N551-M554 VanDerWaalsContact OD1-CE 3.27Å; N551-M554 WeakPolarHBondContact OD1-CE 3.47Å; Y552-M554 VanDerWaalsContact C-N 3.33Å; Y552-M554 PolarHBondContact O-N 2.82Å; M554-K557 PolarHBondContact O-N 2.79Å; M554-A558 VanDerWaalsContact O-CB 3.3Å; M554-A558 WeakPolarHBondContact O-CB 3.41Å; M554-A558 PolarHBondContact O-N 3.21Å
555	S	78.6	Confident	79.5	Confident	61 Å²	61	74.2 Å²	74.2	43%	0.427	37%	0.374	S	S	.	.	H	α-helix	trans	-66.1	-37.8	177.1	-174.9	0	0	0	0	112.3	N551 Y552 E553 M559	N551-S555 WeakPolarHBondContact O-CB 3.33Å; N551-S555 PolarHBondContact O-N 2.81Å; Y552-S555 PolarHBondContact O-N 3Å; E553-S555 VanDerWaalsContact C-N 3.35Å; E553-S555 PolarHBondContact O-N 3.04Å; S555-M559 WeakPolarHBondContact O-CG 3.41Å; S555-M559 PolarHBondContact O-N 2.87Å
556	I	76.1	Confident	78.7	Confident	59 Å²	59	77.8 Å²	77.8	30%	0.303	39%	0.394	S	S	.	.	H	α-helix	trans	-67.4	-48	173.7	-71.7	179.6	0	0	0	110	Y552 E553 A558 M559 M560	Y552-I556 HydrophobicContact CD1-CD1 3.98Å; Y552-I556 HydrophobicContact CE1-CD1 3.28Å; Y552-I556 HydrophobicContact CE1-CG1 4.28Å; Y552-I556 HydrophobicContact CE2-CD1 4.03Å; Y552-I556 HydrophobicContact CE2-CG1 4.39Å; Y552-I556 PolarHBondContact O-N 2.78Å; Y552-I556 WeakPolarHBondContact OH-CD1 3.4Å; E553-I556 PolarHBondContact O-N 3.11Å; I556-A558 VanDerWaalsContact C-N 3.26Å; I556-A558 PolarHBondContact O-N 3.48Å; I556-M559 CarbonylContact O-C 3.59Å; I556-M559 PolarHBondContact O-N 3.21Å; I556-M559 VanDerWaalsContact O-N 3.12Å; I556-M560 HydrophobicContact CG2-CG 4.11Å; I556-M560 HydrophobicContact CG2-SD 3.89Å; I556-M560 WeakPolarHBondContact O-CB 3.41Å; I556-M560 WeakPolarHBondContact O-CG 3.36Å; I556-M560 PolarHBondContact O-N 3.32Å
557	K	77.9	Confident	77.8	Confident	100 Å²	100	76.4 Å²	76.4	44%	0.435	39%	0.392	S	S	.	.	H	α-helix	trans	-56.2	-44.2	177.1	-73.6	179.9	179.3	-179	0	110.5	E553 M554 M560 I561 M815	E553-K557 WeakPolarHBondContact O-CB 3.45Å; E553-K557 VanDerWaalsContact O-CG 3.24Å; E553-K557 WeakPolarHBondContact O-CG 3.42Å; E553-K557 PolarHBondContact O-N 3.26Å; M554-K557 PolarHBondContact O-N 2.79Å; K557-M560 PolarHBondContact O-N 3.44Å; K557-I561 WeakPolarHBondContact O-CB 3.48Å; K557-I561 WeakPolarHBondContact O-CD1 3.33Å; K557-I561 WeakPolarHBondContact O-CG1 3.41Å; K557-I561 PolarHBondContact O-N 2.78Å; K557-M815 HydrophobicContact CB-CE 4.36Å; K557-M815 HydrophobicContact CD-SD 4.3Å; K557-M815 HydrophobicContact CG-CE 4.14Å; K557-M815 HydrophobicContact CG-SD 3.79Å
558	A	77.4	Confident	76.8	Confident	55 Å²	55	74.5 Å²	74.5	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-45.1	175	0	0	0	0	0	112.6	M554 I556 I561 Q562	M554-A558 VanDerWaalsContact O-CB 3.3Å; M554-A558 WeakPolarHBondContact O-CB 3.41Å; M554-A558 PolarHBondContact O-N 3.21Å; I556-A558 VanDerWaalsContact C-N 3.26Å; I556-A558 PolarHBondContact O-N 3.48Å; A558-I561 PolarHBondContact O-N 2.8Å; A558-Q562 WeakPolarHBondContact O-CB 3.48Å; A558-Q562 PolarHBondContact O-N 2.61Å
559	M	73.1	Confident	75.9	Confident	112 Å²	112	78 Å²	78	55%	0.552	40%	0.402	S	S	*	.	H	α-helix	trans	-64.6	-38.5	175	-76.5	-170.4	86.2	0	0	112.4	S555 I556 Q562 L563	S555-M559 WeakPolarHBondContact O-CG 3.41Å; S555-M559 PolarHBondContact O-N 2.87Å; I556-M559 CarbonylContact O-C 3.59Å; I556-M559 PolarHBondContact O-N 3.21Å; I556-M559 VanDerWaalsContact O-N 3.12Å; M559-Q562 PolarHBondContact O-N 3.41Å; M559-L563 VanDerWaalsContact O-CB 3.31Å; M559-L563 WeakPolarHBondContact O-CB 3.35Å; M559-L563 PolarHBondContact O-N 3.48Å
560	M	71	Confident	74.7	Confident	42 Å²	42	78.2 Å²	78.2	21%	0.207	41%	0.407	C	S	.	.	H	α-helix	trans	-68.9	-39.6	176.7	-74.2	-174.4	76.3	0	0	111.4	I556 K557 L563 L564 I811 L814 M815	I556-M560 HydrophobicContact CG2-CG 4.11Å; I556-M560 HydrophobicContact CG2-SD 3.89Å; I556-M560 WeakPolarHBondContact O-CB 3.41Å; I556-M560 WeakPolarHBondContact O-CG 3.36Å; I556-M560 PolarHBondContact O-N 3.32Å; K557-M560 PolarHBondContact O-N 3.44Å; M560-L563 PolarHBondContact O-N 2.83Å; M560-L564 VanDerWaalsContact O-CB 3.25Å; M560-L564 WeakPolarHBondContact O-CB 3.45Å; M560-L564 PolarHBondContact O-N 3.16Å; M560-I811 HydrophobicContact CE-CG1 4.38Å; M560-I811 HydrophobicContact CE-CG2 4.01Å; M560-L814 HydrophobicContact CE-CB 4.12Å; M560-L814 HydrophobicContact CE-CD1 4.46Å; M560-M815 HydrophobicContact CB-CE 3.9Å; M560-M815 HydrophobicContact CE-CE 4.47Å; M560-M815 HydrophobicContact SD-CE 4.16Å
561	I	75.6	Confident	73.5	Confident	88 Å²	88	72.6 Å²	72.6	45%	0.451	39%	0.388	S	S	.	.	H	α-helix	trans	-64.6	-42.9	172.7	-69.5	162.7	0	0	0	109.7	K557 A558 L563 L564 I565	K557-I561 WeakPolarHBondContact O-CB 3.48Å; K557-I561 WeakPolarHBondContact O-CD1 3.33Å; K557-I561 WeakPolarHBondContact O-CG1 3.41Å; K557-I561 PolarHBondContact O-N 2.78Å; A558-I561 PolarHBondContact O-N 2.8Å; I561-L563 VanDerWaalsContact C-N 3.34Å; I561-L563 PolarHBondContact O-N 2.78Å; I561-L564 CarbonylContact O-C 3.57Å; I561-L564 WeakPolarHBondContact O-CB 3.43Å; I561-L564 PolarHBondContact O-N 3.16Å; I561-I565 HydrophobicContact CG2-CD1 3.74Å; I561-I565 HydrophobicContact CG2-CG1 4.33Å; I561-I565 WeakPolarHBondContact O-CB 3.49Å; I561-I565 WeakPolarHBondContact O-CG1 3.43Å; I561-I565 PolarHBondContact O-N 3.47Å
562	Q	71.4	Confident	72.3	Confident	122 Å²	122	74 Å²	74	57%	0.57	40%	0.395	S	S	*	.	H	α-helix	trans	-65.5	-38.6	176.9	-168.6	174.9	8.5	0	0	111.8	A558 M559 I565 L566	A558-Q562 WeakPolarHBondContact O-CB 3.48Å; A558-Q562 PolarHBondContact O-N 2.61Å; M559-Q562 PolarHBondContact O-N 3.41Å; Q562-I565 PolarHBondContact O-N 3.33Å; Q562-L566 HydrophobicContact CG-CD1 4.27Å; Q562-L566 WeakPolarHBondContact O-CB 3.31Å; Q562-L566 VanDerWaalsContact O-CG 3.31Å; Q562-L566 WeakPolarHBondContact O-CG 3.37Å; Q562-L566 PolarHBondContact O-N 2.75Å
563	L	70.5	Confident	71	Confident	106 Å²	106	75.4 Å²	75.4	56%	0.555	41%	0.41	S	S	*	.	H	α-helix	trans	-67.8	-39	172.8	-171.1	70	0	0	0	111.2	M559 M560 I561 L566 C567	M559-L563 VanDerWaalsContact O-CB 3.31Å; M559-L563 WeakPolarHBondContact O-CB 3.35Å; M559-L563 PolarHBondContact O-N 3.48Å; M560-L563 PolarHBondContact O-N 2.83Å; I561-L563 VanDerWaalsContact C-N 3.34Å; I561-L563 PolarHBondContact O-N 2.78Å; L563-L566 PolarHBondContact O-N 3.39Å; L563-C567 VanDerWaalsContact O-CB 3.24Å; L563-C567 WeakPolarHBondContact O-CB 3.35Å; L563-C567 PolarHBondContact O-N 3.18Å; L563-C567 PolarHBondContact O-SG 3.09Å; L563-C567 VanDerWaalsContact O-SG 3.37Å
564	L	69.3	Low	69.4	Low	44 Å²	44	77.3 Å²	77.3	23%	0.23	42%	0.417	C	S	.	.	H	α-helix	trans	-61.9	-45.1	173.4	-174.7	98.9	0	0	0	109.8	M560 I561 C567 T568 I808 I811	M560-L564 VanDerWaalsContact O-CB 3.25Å; M560-L564 WeakPolarHBondContact O-CB 3.45Å; M560-L564 PolarHBondContact O-N 3.16Å; I561-L564 CarbonylContact O-C 3.57Å; I561-L564 WeakPolarHBondContact O-CB 3.43Å; I561-L564 PolarHBondContact O-N 3.16Å; L564-C567 CarbonylContact O-C 3.58Å; L564-C567 PolarHBondContact O-N 3.42Å; L564-T568 HydrophobicContact CG-CG2 4.22Å; L564-T568 WeakPolarHBondContact O-CB 3.46Å; L564-T568 WeakPolarHBondContact O-CG2 3.42Å; L564-T568 PolarHBondContact O-N 3.31Å; L564-T568 PolarHBondContact O-OG1 2.78Å; L564-I808 HydrophobicContact CD1-CG1 4.11Å; L564-I811 HydrophobicContact CB-CD1 4.37Å; L564-I811 HydrophobicContact CD1-CD1 3.26Å; L564-I811 HydrophobicContact CD1-CG1 4.46Å; L564-I811 HydrophobicContact CD1-CG2 4.4Å; L564-I811 HydrophobicContact CG-CD1 4.41Å
565	I	74.9	Confident	67.7	Low	90 Å²	90	73.2 Å²	73.2	46%	0.462	40%	0.398	S	S	.	.	H	α-helix	trans	-64	-43.8	176.1	-67.9	163.5	0	0	0	110.5	I561 Q562 T568 V569	I561-I565 HydrophobicContact CG2-CD1 3.74Å; I561-I565 HydrophobicContact CG2-CG1 4.33Å; I561-I565 WeakPolarHBondContact O-CB 3.49Å; I561-I565 WeakPolarHBondContact O-CG1 3.43Å; I561-I565 PolarHBondContact O-N 3.47Å; Q562-I565 PolarHBondContact O-N 3.33Å; I565-T568 WeakPolarHBondContact CA-OG1 3.44Å; I565-T568 PolarHBondContact O-N 3.32Å; I565-T568 PolarHBondContact O-OG1 3.23Å; I565-V569 HydrophobicContact CG2-CG2 4.2Å; I565-V569 VanDerWaalsContact O-CB 3.25Å; I565-V569 WeakPolarHBondContact O-CB 3.45Å; I565-V569 WeakPolarHBondContact O-CG2 3.49Å; I565-V569 PolarHBondContact O-N 3.4Å
566	L	70.8	Confident	66.2	Low	98 Å²	98	79.1 Å²	79.1	51%	0.513	41%	0.413	S	S	.	.	H	α-helix	trans	-64.9	-42.1	176.1	-77.9	161.8	0	0	0	111	Q562 L563 V569 S570	Q562-L566 HydrophobicContact CG-CD1 4.27Å; Q562-L566 WeakPolarHBondContact O-CB 3.31Å; Q562-L566 VanDerWaalsContact O-CG 3.31Å; Q562-L566 WeakPolarHBondContact O-CG 3.37Å; Q562-L566 PolarHBondContact O-N 2.75Å; L563-L566 PolarHBondContact O-N 3.39Å; L566-V569 PolarHBondContact O-N 2.82Å; L566-S570 VanDerWaalsContact O-CB 3.23Å; L566-S570 WeakPolarHBondContact O-CB 3.45Å; L566-S570 PolarHBondContact O-N 3.39Å; L566-S570 PolarHBondContact O-OG 2.86Å
567	C	67.7	Low	64.3	Low	46 Å²	46	78.6 Å²	78.6	31%	0.311	42%	0.417	S	S	.	.	H	α-helix	trans	-67.3	-39.3	174.7	-77.4	0	0	0	0	111.4	L563 L564 I571	L563-C567 VanDerWaalsContact O-CB 3.24Å; L563-C567 WeakPolarHBondContact O-CB 3.35Å; L563-C567 PolarHBondContact O-N 3.18Å; L563-C567 PolarHBondContact O-SG 3.09Å; L563-C567 VanDerWaalsContact O-SG 3.37Å; L564-C567 CarbonylContact O-C 3.58Å; L564-C567 PolarHBondContact O-N 3.42Å; C567-I571 WeakPolarHBondContact O-CA 2.95Å; C567-I571 WeakPolarHBondContact O-CB 3.25Å; C567-I571 WeakPolarHBondContact O-CD1 3.38Å; C567-I571 WeakPolarHBondContact O-CG1 3.35Å; C567-I571 PolarHBondContact O-N 2.97Å
568	T	66.8	Low	62.4	Low	33 Å²	33	77.4 Å²	77.4	20%	0.202	42%	0.416	C	S	.	.	H	α-helix	trans	-69.2	-38.9	176.2	62.9	0	0	0	0	110.2	L564 I565 L572 L804	L564-T568 HydrophobicContact CG-CG2 4.22Å; L564-T568 WeakPolarHBondContact O-CB 3.46Å; L564-T568 WeakPolarHBondContact O-CG2 3.42Å; L564-T568 PolarHBondContact O-N 3.31Å; L564-T568 PolarHBondContact O-OG1 2.78Å; I565-T568 WeakPolarHBondContact CA-OG1 3.44Å; I565-T568 PolarHBondContact O-N 3.32Å; I565-T568 PolarHBondContact O-OG1 3.23Å; T568-L572 WeakPolarHBondContact O-CA 3.45Å; T568-L572 WeakPolarHBondContact O-CB 3.37Å; T568-L572 WeakPolarHBondContact O-CD1 3.43Å; T568-L572 PolarHBondContact O-N 3.11Å; T568-L804 HydrophobicContact CG2-CD1 3.61Å
569	V	67.3	Low	60.4	Low	75 Å²	75	78.3 Å²	78.3	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-67.9	-43.8	174.7	170.3	0	0	0	0	110.4	I565 L566 L572 S573	I565-V569 HydrophobicContact CG2-CG2 4.2Å; I565-V569 VanDerWaalsContact O-CB 3.25Å; I565-V569 WeakPolarHBondContact O-CB 3.45Å; I565-V569 WeakPolarHBondContact O-CG2 3.49Å; I565-V569 PolarHBondContact O-N 3.4Å; L566-V569 PolarHBondContact O-N 2.82Å; V569-L572 CarbonylContact O-C 3.52Å; V569-L572 PolarHBondContact O-N 3.12Å; V569-S573 WeakPolarHBondContact O-CA 3.33Å; V569-S573 WeakPolarHBondContact O-CB 3.21Å; V569-S573 PolarHBondContact O-N 2.86Å; V569-S573 PolarHBondContact O-OG 3.48Å
570	S	61.2	Low	58.7	Low	48 Å²	48	76.6 Å²	76.6	34%	0.336	41%	0.408	S	S	.	.	H	α-helix	trans	-67.3	-39.7	175.8	-67.1	0	0	0	0	111.6	L566 S573 F574	L566-S570 VanDerWaalsContact O-CB 3.23Å; L566-S570 WeakPolarHBondContact O-CB 3.45Å; L566-S570 PolarHBondContact O-N 3.39Å; L566-S570 PolarHBondContact O-OG 2.86Å; S570-S573 PolarHBondContact O-N 3.33Å; S570-F574 WeakPolarHBondContact O-CA 3.47Å; S570-F574 WeakPolarHBondContact O-CB 3.46Å; S570-F574 WeakPolarHBondContact O-CD2 3.06Å; S570-F574 PolarHBondContact O-N 2.72Å
571	I	60.7	Low	57	Low	33 Å²	33	77.7 Å²	77.7	17%	0.169	42%	0.417	C	S	.	.	H	α-helix	trans	-69.6	-41.5	174	-68.7	162.6	0	0	0	109.7	C567 S573 F574 T575 L804 I807	C567-I571 WeakPolarHBondContact O-CA 2.95Å; C567-I571 WeakPolarHBondContact O-CB 3.25Å; C567-I571 WeakPolarHBondContact O-CD1 3.38Å; C567-I571 WeakPolarHBondContact O-CG1 3.35Å; C567-I571 PolarHBondContact O-N 2.97Å; I571-S573 VanDerWaalsContact C-N 3.28Å; I571-S573 PolarHBondContact O-N 2.88Å; I571-F574 CarbonylContact O-C 3.6Å; I571-F574 PolarHBondContact O-N 3.26Å; I571-T575 HydrophobicContact CG2-CG2 3.98Å; I571-T575 WeakPolarHBondContact O-CA 3.46Å; I571-T575 VanDerWaalsContact O-CB 3.28Å; I571-T575 WeakPolarHBondContact O-CB 3.29Å; I571-T575 WeakPolarHBondContact O-CG2 3.31Å; I571-T575 PolarHBondContact O-N 3.43Å; I571-T575 PolarHBondContact O-OG1 2.78Å; I571-L804 HydrophobicContact CD1-CD1 4.26Å; I571-I807 HydrophobicContact CD1-CD1 3.56Å
572	L	59.1	Low	54.9	Low	106 Å²	106	77.3 Å²	77.3	56%	0.555	42%	0.418	S	S	*	.	H	α-helix	trans	-64.4	-36.2	173.5	-96.4	93.8	0	0	0	110.6	T568 V569 T575 Y576	T568-L572 WeakPolarHBondContact O-CA 3.45Å; T568-L572 WeakPolarHBondContact O-CB 3.37Å; T568-L572 WeakPolarHBondContact O-CD1 3.43Å; T568-L572 PolarHBondContact O-N 3.11Å; V569-L572 CarbonylContact O-C 3.52Å; V569-L572 PolarHBondContact O-N 3.12Å; L572-T575 VanDerWaalsContact CA-OG1 3.3Å; L572-T575 WeakPolarHBondContact CA-OG1 3.38Å; L572-T575 PolarHBondContact O-OG1 2.86Å; L572-T575 VanDerWaalsContact O-OG1 3.08Å; L572-Y576 WeakPolarHBondContact O-CB 3.35Å; L572-Y576 PolarHBondContact O-N 3.15Å
573	S	54.5	Low	53.3	Low	66 Å²	66	72.9 Å²	72.9	46%	0.462	40%	0.4	S	S	.	.	H	α-helix	trans	-73.8	-39.8	177.7	-56.9	0	0	0	0	110.8	V569 S570 I571 Y576 A577	V569-S573 WeakPolarHBondContact O-CA 3.33Å; V569-S573 WeakPolarHBondContact O-CB 3.21Å; V569-S573 PolarHBondContact O-N 2.86Å; V569-S573 PolarHBondContact O-OG 3.48Å; S570-S573 PolarHBondContact O-N 3.33Å; I571-S573 VanDerWaalsContact C-N 3.28Å; I571-S573 PolarHBondContact O-N 2.88Å; S573-Y576 PolarHBondContact O-N 2.73Å; S573-A577 WeakPolarHBondContact O-CB 3.43Å; S573-A577 PolarHBondContact O-N 3.23Å
574	F	50.3	Low	51.7	Low	126 Å²	126	73.7 Å²	73.7	55%	0.553	41%	0.409	S	S	*	.	H	α-helix	trans	-68	-38.3	172.4	-102.8	-91	0	0	0	111	S570 I571 A577 D578	S570-F574 WeakPolarHBondContact O-CA 3.47Å; S570-F574 WeakPolarHBondContact O-CB 3.46Å; S570-F574 WeakPolarHBondContact O-CD2 3.06Å; S570-F574 PolarHBondContact O-N 2.72Å; I571-F574 CarbonylContact O-C 3.6Å; I571-F574 PolarHBondContact O-N 3.26Å; F574-A577 CarbonylContact O-C 3.46Å; F574-A577 PolarHBondContact O-N 2.62Å; F574-D578 WeakPolarHBondContact O-CA 3.42Å; F574-D578 WeakPolarHBondContact O-CB 3.31Å; F574-D578 PolarHBondContact O-N 3.24Å
575	T	48.4	Very low	50.1	Low	27 Å²	27	76 Å²	76	17%	0.166	43%	0.427	C	S	.	.	H	α-helix	trans	-73	-40	174.7	58.6	0	0	0	0	109.6	I571 L572 A577 D578 I579 P800	I571-T575 HydrophobicContact CG2-CG2 3.98Å; I571-T575 WeakPolarHBondContact O-CA 3.46Å; I571-T575 VanDerWaalsContact O-CB 3.28Å; I571-T575 WeakPolarHBondContact O-CB 3.29Å; I571-T575 WeakPolarHBondContact O-CG2 3.31Å; I571-T575 PolarHBondContact O-N 3.43Å; I571-T575 PolarHBondContact O-OG1 2.78Å; L572-T575 VanDerWaalsContact CA-OG1 3.3Å; L572-T575 WeakPolarHBondContact CA-OG1 3.38Å; L572-T575 PolarHBondContact O-OG1 2.86Å; L572-T575 VanDerWaalsContact O-OG1 3.08Å; T575-A577 PolarHBondContact O-N 3.03Å; T575-D578 PolarHBondContact O-N 3.13Å; T575-I579 WeakPolarHBondContact O-CA 3.47Å; T575-I579 WeakPolarHBondContact O-CB 3.16Å; T575-I579 WeakPolarHBondContact O-CD1 3.17Å; T575-I579 WeakPolarHBondContact O-CG1 3.26Å; T575-I579 PolarHBondContact O-N 3.04Å; T575-P800 HydrophobicContact CG2-CB 3.19Å; T575-P800 HydrophobicContact CG2-CG 3.65Å
576	Y	45.5	Very low	48.1	Very low	186 Å²	186	78.2 Å²	78.2	73%	0.729	44%	0.438	S	S	*	.	H	α-helix	trans	-62.4	-35.3	172.8	-142.3	-99.7	0	0	0	111.2	L572 S573 T580	L572-Y576 WeakPolarHBondContact O-CB 3.35Å; L572-Y576 PolarHBondContact O-N 3.15Å; S573-Y576 PolarHBondContact O-N 2.73Å; Y576-T580 PolarHBondContact O-OG1 3.13Å
577	A	37.4	Very low	46.1	Very low	47 Å²	47	78.6 Å²	78.6	39%	0.388	45%	0.445	S	S	.	.	H	α-helix	trans	-79.3	-30.6	176.1	0	0	0	0	0	114	S573 F574 T575 T580 V581	S573-A577 WeakPolarHBondContact O-CB 3.43Å; S573-A577 PolarHBondContact O-N 3.23Å; F574-A577 CarbonylContact O-C 3.46Å; F574-A577 PolarHBondContact O-N 2.62Å; T575-A577 PolarHBondContact O-N 3.03Å; A577-T580 WeakPolarHBondContact CA-OG1 3.44Å; A577-T580 PolarHBondContact O-N 2.76Å; A577-T580 PolarHBondContact O-OG1 3.28Å; A577-V581 WeakPolarHBondContact O-CG2 3.22Å; A577-V581 PolarHBondContact O-N 2.85Å
578	D	36.4	Very low	44.1	Very low	76 Å²	76	83 Å²	83	41%	0.406	46%	0.462	S	S	.	.	H	α-helix	trans	-90	-26.5	178.7	-74.8	-29	0	0	0	111.5	F574 T575 T580 V581 T582	F574-D578 WeakPolarHBondContact O-CA 3.42Å; F574-D578 WeakPolarHBondContact O-CB 3.31Å; F574-D578 PolarHBondContact O-N 3.24Å; T575-D578 PolarHBondContact O-N 3.13Å; D578-T580 PolarHBondContact O-N 3.07Å; D578-V581 CarbonylContact O-C 3.53Å; D578-V581 PolarHBondContact O-N 2.88Å; D578-T582 PolarHBondContact O-N 3.49Å; D578-T582 VanDerWaalsContact O-N 3.16Å; D578-T582 PolarHBondContact O-OG1 3.05Å
579	I	37	Very low	42.2	Very low	74 Å²	74	87.3 Å²	87.3	38%	0.379	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.4	164.7	-71.9	161.9	0	0	0	109.3	T575 V796	T575-I579 WeakPolarHBondContact O-CA 3.47Å; T575-I579 WeakPolarHBondContact O-CB 3.16Å; T575-I579 WeakPolarHBondContact O-CD1 3.17Å; T575-I579 WeakPolarHBondContact O-CG1 3.26Å; T575-I579 PolarHBondContact O-N 3.04Å; I579-V796 HydrophobicContact CG1-CG1 3.77Å
580	T	37.5	Very low	40.3	Very low	76 Å²	76	90.2 Å²	90.2	47%	0.466	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.6	169	44.2	0	0	0	0	115.2	Y576 A577 D578	Y576-T580 PolarHBondContact O-OG1 3.13Å; A577-T580 WeakPolarHBondContact CA-OG1 3.44Å; A577-T580 PolarHBondContact O-N 2.76Å; A577-T580 PolarHBondContact O-OG1 3.28Å; D578-T580 PolarHBondContact O-N 3.07Å
581	V	34.7	Very low	38.7	Very low	64 Å²	64	94.8 Å²	94.8	39%	0.388	52%	0.522	S	S	.	.	S	Bend	trans	-129.5	24	-166.4	-177.4	0	0	0	0	112.9	A577 D578 F610	A577-V581 WeakPolarHBondContact O-CG2 3.22Å; A577-V581 PolarHBondContact O-N 2.85Å; D578-V581 CarbonylContact O-C 3.53Å; D578-V581 PolarHBondContact O-N 2.88Å; V581-F610 VanDerWaalsContact CA-CZ 3.45Å; V581-F610 HydrophobicContact CG1-CD1 4.49Å; V581-F610 HydrophobicContact CG1-CD2 4.02Å; V581-F610 HydrophobicContact CG1-CE2 4.29Å; V581-F610 HydrophobicContact CG1-CG 4.16Å; V581-F610 VanDerWaalsContact O-CD2 3.31Å; V581-F610 WeakPolarHBondContact O-CD2 3.27Å; V581-F610 WeakPolarHBondContact O-CE2 3.22Å; V581-F610 WeakPolarHBondContact O-CZ 3.43Å
582	T	31.7	Very low	37.3	Very low	80 Å²	80	99.9 Å²	99.9	49%	0.491	55%	0.549	S	S	.	.			trans	-129.2	88.3	175.7	46.9	0	0	0	0	113.4	D578	D578-T582 PolarHBondContact O-N 3.49Å; D578-T582 VanDerWaalsContact O-N 3.16Å; D578-T582 PolarHBondContact O-OG1 3.05Å
583	T	37.5	Very low	35.9	Very low	29 Å²	29	100 Å²	100	18%	0.178	56%	0.56	C	S	.	*			trans	-127	132.8	164.7	50.7	0	0	0	0	110	F610 P790	T583-F610 HydrophobicContact CG2-CZ 4.42Å; T583-F610 WeakPolarHBondContact OG1-CZ 3.43Å; T583-P790 HydrophobicContact CG2-CB 3.72Å; T583-P790 HydrophobicContact CG2-CG 3.62Å
584	T	37	Very low	35	Very low	123 Å²	123	102.3 Å²	102.3	76%	0.755	57%	0.571	S	S	*	*			trans	-55.6	144.8	-174.3	43.2	0	0	0	0	113.5	I586	T584-I586 PolarHBondContact O-N 3.47Å
585	P	35.3	Very low	34	Very low	93 Å²	93	104 Å²	104	60%	0.604	59%	0.586	S	S	*	*			trans	-76.2	126.4	178.5	31	-30.9	0	0	0	110.3
586	I	32.8	Very low	33.4	Very low	136 Å²	136	107.1 Å²	107.1	70%	0.697	61%	0.605	S	S	*	*			trans	-109.3	126.2	159.6	-63.6	173.1	0	0	0	106.7	T584	T584-I586 PolarHBondContact O-N 3.47Å
587	T	28.5	Very low	33.2	Very low	106 Å²	106	105.4 Å²	105.4	65%	0.65	61%	0.613	S	S	*	*			trans	-75.5	122.7	173.1	8.8	0	0	0	0	110.4	H608	T587-H608 VanDerWaalsContact CG2-CE1 3.44Å; T587-H608 WeakPolarHBondContact CG2-CE1 3.35Å
588	M	26.7	Very low	34	Very low	138 Å²	138	110 Å²	110	68%	0.68	63%	0.626	S	S	*	*			trans	-117.9	123.7	160.3	-83.9	-170.7	73.6	0	0	109.6
589	T	26.5	Very low	34.9	Very low	124 Å²	124	109.4 Å²	109.4	76%	0.761	63%	0.626	S	S	*	*			trans	-98.4	117.2	168	31.5	0	0	0	0	108.8
590	L	28.3	Very low	36.2	Very low	137 Å²	137	110.1 Å²	110.1	72%	0.717	63%	0.625	S	S	*	*			trans	-102.9	106.5	166.1	-87.1	157.9	0	0	0	107.9
591	N	27.4	Very low	37.8	Very low	144 Å²	144	106.7 Å²	106.7	77%	0.77	60%	0.604	S	S	*	*			trans	-86.6	119	170.8	-77.4	-14.8	0	0	0	108.7
592	N	31.7	Very low	39.6	Very low	139 Å²	139	105.4 Å²	105.4	74%	0.743	60%	0.595	S	S	*	*			trans	-122.9	97.8	155	-88.3	-17.8	0	0	0	107.9
593	S	29.4	Very low	41.6	Very low	110 Å²	110	101.7 Å²	101.7	77%	0.769	57%	0.572	S	S	*	*			trans	-88.7	119.6	167.3	56.9	0	0	0	0	108.9
594	V	35.9	Very low	43.4	Very low	114 Å²	114	103 Å²	103	69%	0.691	58%	0.578	S	S	*	*			trans	-123	113	163.5	-179.9	0	0	0	0	107.9	T596	V594-T596 PolarHBondContact O-N 3.48Å
595	N	29.3	Very low	45.1	Very low	162 Å²	162	98.8 Å²	98.8	87%	0.866	55%	0.55	S	S	*	.			trans	-73.1	108.5	173.2	-77.8	-26.3	0	0	0	109.8
596	T	35.9	Very low	46.9	Very low	92 Å²	92	96.2 Å²	96.2	56%	0.564	53%	0.533	S	S	*	.			trans	-152.4	134.4	162.1	41.7	0	0	0	0	111.2	V594 Q598	V594-T596 PolarHBondContact O-N 3.48Å; T596-Q598 PolarHBondContact O-N 3.44Å
597	V	40	Very low	48.5	Very low	149 Å²	149	92.2 Å²	92.2	90%	0.903	51%	0.511	S	S	*	.	S	Bend	trans	-77.2	55.4	-173.5	-170.8	0	0	0	0	112.1
598	Q	54.3	Low	50.1	Low	144 Å²	144	91.2 Å²	91.2	67%	0.673	50%	0.499	S	S	*	.	S	Bend	trans	-139.6	151.9	177.7	-74.4	-168.9	-21.2	0	0	110.1	T596 Y600	T596-Q598 PolarHBondContact O-N 3.44Å; Q598-Y600 WeakPolarHBondContact O-CD1 3.35Å; Q598-Y600 PolarHBondContact O-N 3.26Å; Q598-Y600 VanDerWaalsContact O-N 3.12Å
599	P	56.6	Low	51.7	Low	63 Å²	63	85.2 Å²	85.2	41%	0.409	47%	0.472	S	S	.	.			trans	-55.9	121.5	175.6	23.5	-33.4	0	0	0	109.9	H619 F621	P599-H619 VanDerWaalsContact CA-O 3.31Å; P599-H619 WeakPolarHBondContact CA-O 3.27Å; P599-F621 HydrophobicContact CB-CD1 4.06Å; P599-F621 HydrophobicContact CB-CD2 4.31Å; P599-F621 HydrophobicContact CB-CE1 3.97Å; P599-F621 HydrophobicContact CB-CE2 4.28Å; P599-F621 HydrophobicContact CB-CG 4.23Å; P599-F621 HydrophobicContact CB-CZ 4.1Å
600	Y	64.1	Low	53.2	Low	89 Å²	89	80.8 Å²	80.8	35%	0.349	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.6	-177.1	67.2	-91.5	0	0	0	110.6	Q598 N602 H619 F621	Q598-Y600 WeakPolarHBondContact O-CD1 3.35Å; Q598-Y600 PolarHBondContact O-N 3.26Å; Q598-Y600 VanDerWaalsContact O-N 3.12Å; Y600-N602 HydrophobicContact CD2-CB 4.29Å; Y600-N602 HydrophobicContact CE2-CB 4.49Å; Y600-H619 HydrophobicContact CD1-CB 3.87Å; Y600-H619 HydrophobicContact CD2-CB 4.23Å; Y600-H619 HydrophobicContact CE1-CB 3.46Å; Y600-H619 VanDerWaalsContact CE1-CB 3.46Å; Y600-H619 AromaticContact CE1-CG 3.87Å; Y600-H619 HydrophobicContact CE2-CB 3.87Å; Y600-H619 AromaticContact CE2-CD2 3.22Å; Y600-H619 WeakPolarHBondContact CE2-CD2 3.39Å; Y600-H619 AromaticContact CE2-CG 3.68Å; Y600-H619 HydrophobicContact CG-CB 4.23Å; Y600-H619 VanDerWaalsContact CZ-CB 3.47Å; Y600-H619 AromaticContact CZ-CD2 3.35Å; Y600-H619 AromaticContact CZ-CG 3.33Å; Y600-H619 AromaticContact CZ-ND1 4Å; Y600-H619 PolarHBondContact N-O 3.33Å; Y600-H619 PolarHBondContact O-N 2.83Å; Y600-H619 PolarHBondContact OH-CD2 2.73Å; Y600-H619 VanDerWaalsContact OH-CD2 3.31Å; Y600-H619 VanDerWaalsContact OH-CG 3.28Å; Y600-H619 PolarHBondContact OH-ND1 3.24Å; Y600-F621 WeakPolarHBondContact O-CE2 3.46Å
601	F	69.9	Low	54.9	Low	4 Å²	4	77.5 Å²	77.5	2%	0.018	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.7	173.9	171.5	-112.3	0	0	0	107.4	C603 C616 D617 F618 F621 L631 H763 P764 I777	F601-C603 WeakPolarHBondContact CE1-SG 3.41Å; F601-C603 WeakPolarHBondContact CZ-SG 3.14Å; F601-C616 HydrophobicContact CE2-CB 3.86Å; F601-C616 HydrophobicContact CZ-CB 4.2Å; F601-D617 WeakPolarHBondContact CA-O 3.39Å; F601-F618 AromaticContact CD2-CD1 3.56Å; F601-F618 HydrophobicContact CD2-CD1 3.56Å; F601-F618 HydrophobicContact CD2-CD2 4.2Å; F601-F618 AromaticContact CD2-CE1 3.38Å; F601-F618 HydrophobicContact CD2-CE1 3.38Å; F601-F618 HydrophobicContact CD2-CE2 4.05Å; F601-F618 AromaticContact CD2-CG 3.98Å; F601-F618 HydrophobicContact CD2-CG 3.98Å; F601-F618 AromaticContact CD2-CZ 3.65Å; F601-F618 HydrophobicContact CD2-CZ 3.65Å; F601-F618 HydrophobicContact CE2-CD1 4.12Å; F601-F618 HydrophobicContact CE2-CD2 4.23Å; F601-F618 AromaticContact CE2-CE1 3.55Å; F601-F618 HydrophobicContact CE2-CE1 3.55Å; F601-F618 AromaticContact CE2-CE2 3.68Å; F601-F618 HydrophobicContact CE2-CE2 3.68Å; F601-F618 HydrophobicContact CE2-CG 4.44Å; F601-F618 AromaticContact CE2-CZ 3.3Å; F601-F618 HydrophobicContact CE2-CZ 3.3Å; F601-F618 HydrophobicContact CG-CD1 4.46Å; F601-F618 HydrophobicContact CG-CE1 4.31Å; F601-F618 HydrophobicContact CZ-CZ 4.28Å; F601-F621 HydrophobicContact CB-CE2 4.17Å; F601-F621 HydrophobicContact CB-CZ 4.31Å; F601-L631 HydrophobicContact CE1-CD1 4.35Å; F601-L631 HydrophobicContact CE2-CD1 4.42Å; F601-L631 HydrophobicContact CZ-CD1 3.65Å; F601-H763 AromaticContact CE1-CE1 3.9Å; F601-P764 HydrophobicContact CZ-CB 4.47Å; F601-I777 HydrophobicContact CB-CG2 3.69Å; F601-I777 HydrophobicContact CD1-CG2 3.69Å; F601-I777 HydrophobicContact CG-CG2 4.15Å
602	N	72.4	Confident	57	Low	37 Å²	37	70.7 Å²	70.7	20%	0.198	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.2	179.4	-164.1	10.3	0	0	0	109.6	Y600 D617	Y600-N602 HydrophobicContact CD2-CB 4.29Å; Y600-N602 HydrophobicContact CE2-CB 4.49Å; N602-D617 PolarHBondContact N-O 3.08Å; N602-D617 PolarHBondContact O-N 3.41Å
603	C	73.9	Confident	59	Low	2 Å²	2	68.7 Å²	68.7	1%	0.014	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.1	172.5	-69.1	0	0	0	0	109.5	F601 L614 H615 H763 P764 F783	F601-C603 WeakPolarHBondContact CE1-SG 3.41Å; F601-C603 WeakPolarHBondContact CZ-SG 3.14Å; C603-L614 HydrophobicContact CB-CD1 3.98Å; C603-H615 CarbonylContact C-O 3.51Å; C603-H615 WeakPolarHBondContact CA-O 3.44Å; C603-H763 WeakPolarHBondContact CB-NE2 3.4Å; C603-P764 HydrophobicContact CB-CG 4.36Å; C603-F783 HydrophobicContact CB-CE2 4.41Å; C603-F783 HydrophobicContact CB-CZ 3.83Å; C603-F783 WeakPolarHBondContact O-CE1 3.35Å; C603-F783 VanDerWaalsContact O-CZ 3.3Å; C603-F783 WeakPolarHBondContact O-CZ 3.46Å
604	N	75.5	Confident	61.3	Low	58 Å²	58	63.5 Å²	63.5	31%	0.31	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.7	173.4	-74.2	-32.3	0	0	0	109.2	L614 H615	N604-L614 CarbonylContact O-C 3.55Å; N604-L614 WeakPolarHBondContact O-CA 3.3Å; N604-H615 PolarHBondContact N-O 3.32Å; N604-H615 PolarHBondContact O-N 2.91Å
605	M	73	Confident	63.2	Low	33 Å²	33	60 Å²	60	16%	0.163	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.3	173.2	-170.1	128	59.3	0	0	109.5	L612 R613 L614 L739 I761 F783 V785	M605-L612 HydrophobicContact CG-CD2 3.85Å; M605-L612 HydrophobicContact SD-CB 4.2Å; M605-L612 HydrophobicContact SD-CD2 3.95Å; M605-R613 WeakPolarHBondContact CA-O 3.16Å; M605-L614 HydrophobicContact CB-CD1 4.45Å; M605-L614 HydrophobicContact SD-CB 4.14Å; M605-L614 HydrophobicContact SD-CD1 4.41Å; M605-L739 HydrophobicContact SD-CD1 3.97Å; M605-I761 HydrophobicContact CE-CB 3.96Å; M605-I761 HydrophobicContact CE-CD1 3.74Å; M605-I761 HydrophobicContact CE-CG1 4.35Å; M605-I761 HydrophobicContact CE-CG2 4.12Å; M605-I761 HydrophobicContact SD-CD1 4.39Å; M605-F783 HydrophobicContact CB-CD1 3.94Å; M605-F783 HydrophobicContact CB-CE1 4.2Å; M605-F783 HydrophobicContact CB-CG 4.21Å; M605-F783 HydrophobicContact CE-CB 3.36Å; M605-F783 HydrophobicContact CE-CD1 4.3Å; M605-F783 HydrophobicContact CE-CD2 3.53Å; M605-F783 HydrophobicContact CE-CE2 4.39Å; M605-F783 HydrophobicContact CE-CG 3.48Å; M605-F783 VanDerWaalsContact CE-CG 3.48Å; M605-V785 HydrophobicContact CE-CG2 4.28Å
606	T	72.7	Confident	65.4	Low	39 Å²	39	52.3 Å²	52.3	24%	0.239	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.4	172.5	55	0	0	0	0	108.8	L612 R613	T606-L612 CarbonylContact O-C 3.54Å; T606-L612 WeakPolarHBondContact O-CA 3.39Å; T606-R613 PolarHBondContact N-O 3.06Å; T606-R613 PolarHBondContact O-N 3.35Å; T606-R613 WeakPolarHBondContact OG1-CB 3.4Å; T606-R613 PolarHBondContact OG1-O 3.14Å
607	Q	65.9	Low	67.1	Low	53 Å²	53	49 Å²	49	25%	0.248	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.2	177.4	-176.4	178.1	-11.1	0	0	109.2	L612 I786	Q607-L612 HydrophobicContact CB-CD2 4.11Å; Q607-L612 HydrophobicContact CG-CD2 4.22Å; Q607-L612 HydrophobicContact CG-CG 4.36Å; Q607-I786 PolarHBondContact NE2-O 2.79Å; Q607-I786 VanDerWaalsContact NE2-O 3.11Å
608	H	62.1	Low	68.6	Low	84 Å²	84	42 Å²	42	39%	0.389	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	91	173.6	-70.1	-63.7	0	0	0	108.9	T587 F610 H611	T587-H608 VanDerWaalsContact CG2-CE1 3.44Å; T587-H608 WeakPolarHBondContact CG2-CE1 3.35Å; H608-F610 PolarHBondContact O-N 2.92Å; H608-H611 PolarHBondContact N-O 2.88Å; H608-H611 WeakPolarHBondContact O-CB 3.36Å; H608-H611 PolarHBondContact O-N 3.25Å
609	G	60.1	Low	69.3	Low	12 Å²	12	37.5 Å²	37.5	12%	0.124	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-117.7	-175.1	0	0	0	0	0	111.7	Y741	G609-Y741 PolarHBondContact O-OH 3.08Å
610	F	58.7	Low	69.5	Low	31 Å²	31	39 Å²	39	14%	0.136	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.9	175.7	-56.3	-85.4	0	0	0	113.9	V581 T583 H608 Y741	V581-F610 VanDerWaalsContact CA-CZ 3.45Å; V581-F610 HydrophobicContact CG1-CD1 4.49Å; V581-F610 HydrophobicContact CG1-CD2 4.02Å; V581-F610 HydrophobicContact CG1-CE2 4.29Å; V581-F610 HydrophobicContact CG1-CG 4.16Å; V581-F610 VanDerWaalsContact O-CD2 3.31Å; V581-F610 WeakPolarHBondContact O-CD2 3.27Å; V581-F610 WeakPolarHBondContact O-CE2 3.22Å; V581-F610 WeakPolarHBondContact O-CZ 3.43Å; T583-F610 HydrophobicContact CG2-CZ 4.42Å; T583-F610 WeakPolarHBondContact OG1-CZ 3.43Å; H608-F610 PolarHBondContact O-N 2.92Å; F610-Y741 HydrophobicContact CB-CE1 4.33Å; F610-Y741 HydrophobicContact CD1-CE1 4.32Å; F610-Y741 AromaticContact CD1-CE2 3.66Å; F610-Y741 HydrophobicContact CD1-CE2 3.66Å; F610-Y741 AromaticContact CD1-CZ 3.5Å; F610-Y741 VanDerWaalsContact CD1-OH 3.26Å; F610-Y741 WeakPolarHBondContact CD1-OH 3.31Å; F610-Y741 HydrophobicContact CE1-CE2 4.15Å
611	H	63.5	Low	69.4	Low	69 Å²	69	35.7 Å²	35.7	32%	0.319	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.4	177.7	-64	-100.5	0	0	0	109.1	H608 E645	H608-H611 PolarHBondContact N-O 2.88Å; H608-H611 WeakPolarHBondContact O-CB 3.36Å; H608-H611 PolarHBondContact O-N 3.25Å; H611-E645 IonicContact ND1-OE1 3.24Å
612	L	72.3	Confident	68.9	Low	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.4	165.9	-75	134.6	0	0	0	107.4	M605 T606 Q607 F639 L739 Y741 V785	M605-L612 HydrophobicContact CG-CD2 3.85Å; M605-L612 HydrophobicContact SD-CB 4.2Å; M605-L612 HydrophobicContact SD-CD2 3.95Å; T606-L612 CarbonylContact O-C 3.54Å; T606-L612 WeakPolarHBondContact O-CA 3.39Å; Q607-L612 HydrophobicContact CB-CD2 4.11Å; Q607-L612 HydrophobicContact CG-CD2 4.22Å; Q607-L612 HydrophobicContact CG-CG 4.36Å; L612-F639 HydrophobicContact CD1-CD1 4.05Å; L612-F639 HydrophobicContact CD1-CE1 3.59Å; L612-L739 HydrophobicContact CB-CB 3.78Å; L612-L739 PolarHBondContact N-O 3.06Å; L612-L739 PolarHBondContact O-N 3.31Å; L612-Y741 HydrophobicContact CD1-CD1 3.63Å; L612-Y741 HydrophobicContact CD1-CE1 4.02Å; L612-V785 HydrophobicContact CD1-CG1 4.2Å; L612-V785 HydrophobicContact CD2-CG1 3.87Å; L612-V785 HydrophobicContact CD2-CG2 3.76Å
613	R	74	Confident	68.4	Low	96 Å²	96	39.1 Å²	39.1	36%	0.362	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	107.3	179.9	-166.5	-178.5	-139.6	166.4	18.2	108	M605 T606 H615 H738	M605-R613 WeakPolarHBondContact CA-O 3.16Å; T606-R613 PolarHBondContact N-O 3.06Å; T606-R613 PolarHBondContact O-N 3.35Å; T606-R613 WeakPolarHBondContact OG1-CB 3.4Å; T606-R613 PolarHBondContact OG1-O 3.14Å; R613-H615 VanDerWaalsContact CD-NE2 3.28Å; R613-H615 WeakPolarHBondContact CD-NE2 3.4Å; R613-H738 VanDerWaalsContact CZ-NE2 3.35Å; R613-H738 PolarHBondContact NE-CE1 3.43Å; R613-H738 PolarHBondContact NE-NE2 3.1Å; R613-H738 PolarHBondContact NH2-CE1 3.3Å; R613-H738 PolarHBondContact NH2-NE2 2.98Å
614	L	77.9	Confident	67.8	Low	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	110	176.8	173.9	71.3	0	0	0	108.2	C603 N604 M605 L633 P736 I737 L739 P764 F783	C603-L614 HydrophobicContact CB-CD1 3.98Å; N604-L614 CarbonylContact O-C 3.55Å; N604-L614 WeakPolarHBondContact O-CA 3.3Å; M605-L614 HydrophobicContact CB-CD1 4.45Å; M605-L614 HydrophobicContact SD-CB 4.14Å; M605-L614 HydrophobicContact SD-CD1 4.41Å; L614-L633 HydrophobicContact CD2-CD1 3.67Å; L614-L633 HydrophobicContact CD2-CD2 4.32Å; L614-P736 CarbonylContact O-C 2.98Å; L614-P736 WeakPolarHBondContact O-CA 3.2Å; L614-I737 HydrophobicContact CB-CB 4.25Å; L614-I737 HydrophobicContact CD2-CB 4.45Å; L614-I737 HydrophobicContact CD2-CD1 4.23Å; L614-I737 PolarHBondContact N-O 3.41Å; L614-I737 PolarHBondContact O-N 3.02Å; L614-L739 HydrophobicContact CB-CD1 4.45Å; L614-P764 HydrophobicContact CD1-CG 4.22Å; L614-P764 HydrophobicContact CD2-CG 3.73Å; L614-F783 HydrophobicContact CD1-CE2 4.09Å; L614-F783 HydrophobicContact CD1-CZ 4.27Å
615	H	76.1	Confident	67.2	Low	41 Å²	41	41.1 Å²	41.1	19%	0.19	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.4	170.5	-74.4	-91.5	0	0	0	108.7	C603 N604 R613 D734	C603-H615 CarbonylContact C-O 3.51Å; C603-H615 WeakPolarHBondContact CA-O 3.44Å; N604-H615 PolarHBondContact N-O 3.32Å; N604-H615 PolarHBondContact O-N 2.91Å; R613-H615 VanDerWaalsContact CD-NE2 3.28Å; R613-H615 WeakPolarHBondContact CD-NE2 3.4Å; H615-D734 IonicContact CE1-OD2 3.3Å; H615-D734 IonicContact CG-OD1 2.6Å; H615-D734 IonicContact ND1-OD1 2.7Å; H615-D734 PolarHBondContact ND1-OD1 3.13Å; H615-D734 IonicContact ND1-OD2 3.33Å; H615-D734 PolarHBondContact ND1-OD2 3.44Å
616	C	75.1	Confident	66.8	Low	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	99.2	174.7	-61.8	0	0	0	0	108.2	F601 F618 L735	F601-C616 HydrophobicContact CE2-CB 3.86Å; F601-C616 HydrophobicContact CZ-CB 4.2Å; C616-F618 HydrophobicContact CB-CE2 4.32Å; C616-L735 HydrophobicContact CB-CB 4.14Å; C616-L735 PolarHBondContact N-O 2.91Å; C616-L735 VanDerWaalsContact N-O 3.14Å; C616-L735 PolarHBondContact O-N 3.19Å
617	D	70.9	Confident	66.4	Low	21 Å²	21	42.9 Å²	42.9	11%	0.112	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.7	-177.6	-69.9	-46.6	0	0	0	110.4	F601 N602 Y732	F601-D617 WeakPolarHBondContact CA-O 3.39Å; N602-D617 PolarHBondContact N-O 3.08Å; N602-D617 PolarHBondContact O-N 3.41Å; D617-Y732 HydrophobicContact CB-CE2 4.06Å; D617-Y732 WeakPolarHBondContact OD1-CE2 3.45Å; D617-Y732 PolarHBondContact OD1-OH 2.73Å
618	F	72.1	Confident	66.5	Low	4 Å²	4	45.7 Å²	45.7	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.3	171.4	-60.3	-99.3	0	0	0	108.6	F601 C616 F621 L626 I721 Y732 L733 L766	F601-F618 AromaticContact CD2-CD1 3.56Å; F601-F618 HydrophobicContact CD2-CD1 3.56Å; F601-F618 HydrophobicContact CD2-CD2 4.2Å; F601-F618 AromaticContact CD2-CE1 3.38Å; F601-F618 HydrophobicContact CD2-CE1 3.38Å; F601-F618 HydrophobicContact CD2-CE2 4.05Å; F601-F618 AromaticContact CD2-CG 3.98Å; F601-F618 HydrophobicContact CD2-CG 3.98Å; F601-F618 AromaticContact CD2-CZ 3.65Å; F601-F618 HydrophobicContact CD2-CZ 3.65Å; F601-F618 HydrophobicContact CE2-CD1 4.12Å; F601-F618 HydrophobicContact CE2-CD2 4.23Å; F601-F618 AromaticContact CE2-CE1 3.55Å; F601-F618 HydrophobicContact CE2-CE1 3.55Å; F601-F618 AromaticContact CE2-CE2 3.68Å; F601-F618 HydrophobicContact CE2-CE2 3.68Å; F601-F618 HydrophobicContact CE2-CG 4.44Å; F601-F618 AromaticContact CE2-CZ 3.3Å; F601-F618 HydrophobicContact CE2-CZ 3.3Å; F601-F618 HydrophobicContact CG-CD1 4.46Å; F601-F618 HydrophobicContact CG-CE1 4.31Å; F601-F618 HydrophobicContact CZ-CZ 4.28Å; C616-F618 HydrophobicContact CB-CE2 4.32Å; F618-F621 HydrophobicContact CB-CD2 3.77Å; F618-F621 HydrophobicContact CB-CE2 4.29Å; F618-F621 HydrophobicContact CD1-CD2 4.09Å; F618-F621 HydrophobicContact CD1-CE2 4.1Å; F618-F621 HydrophobicContact CG-CD2 4.45Å; F618-L626 HydrophobicContact CD1-CD1 4.31Å; F618-L626 HydrophobicContact CD1-CD2 3.96Å; F618-L626 HydrophobicContact CE1-CD2 3.96Å; F618-I721 HydrophobicContact CE1-CD1 4.12Å; F618-I721 HydrophobicContact CZ-CD1 3.86Å; F618-Y732 WeakPolarHBondContact O-CA 3.45Å; F618-L733 HydrophobicContact CB-CB 4.18Å; F618-L733 HydrophobicContact CD2-CB 4.29Å; F618-L733 HydrophobicContact CD2-CD2 3.76Å; F618-L733 HydrophobicContact CD2-CG 4.13Å; F618-L733 HydrophobicContact CE2-CD2 4.13Å; F618-L733 HydrophobicContact CG-CD2 4.34Å; F618-L733 PolarHBondContact N-O 3.04Å; F618-L733 PolarHBondContact O-N 3.35Å; F618-L733 VanDerWaalsContact O-N 3.09Å; F618-L766 HydrophobicContact CE1-CD1 4.08Å; F618-L766 HydrophobicContact CE1-CD2 4.09Å; F618-L766 HydrophobicContact CZ-CD1 4.42Å
619	H	67.3	Low	67	Low	48 Å²	48	41.7 Å²	41.7	22%	0.222	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.3	176.5	-73.6	-90.3	0	0	0	111.4	P599 Y600 F621 Y732	P599-H619 VanDerWaalsContact CA-O 3.31Å; P599-H619 WeakPolarHBondContact CA-O 3.27Å; Y600-H619 HydrophobicContact CD1-CB 3.87Å; Y600-H619 HydrophobicContact CD2-CB 4.23Å; Y600-H619 HydrophobicContact CE1-CB 3.46Å; Y600-H619 VanDerWaalsContact CE1-CB 3.46Å; Y600-H619 AromaticContact CE1-CG 3.87Å; Y600-H619 HydrophobicContact CE2-CB 3.87Å; Y600-H619 AromaticContact CE2-CD2 3.22Å; Y600-H619 WeakPolarHBondContact CE2-CD2 3.39Å; Y600-H619 AromaticContact CE2-CG 3.68Å; Y600-H619 HydrophobicContact CG-CB 4.23Å; Y600-H619 VanDerWaalsContact CZ-CB 3.47Å; Y600-H619 AromaticContact CZ-CD2 3.35Å; Y600-H619 AromaticContact CZ-CG 3.33Å; Y600-H619 AromaticContact CZ-ND1 4Å; Y600-H619 PolarHBondContact N-O 3.33Å; Y600-H619 PolarHBondContact O-N 2.83Å; Y600-H619 PolarHBondContact OH-CD2 2.73Å; Y600-H619 VanDerWaalsContact OH-CD2 3.31Å; Y600-H619 VanDerWaalsContact OH-CG 3.28Å; Y600-H619 PolarHBondContact OH-ND1 3.24Å; H619-F621 VanDerWaalsContact O-CD2 3.28Å; H619-F621 WeakPolarHBondContact O-CD2 3.05Å; H619-F621 PolarHBondContact O-N 2.71Å; H619-F621 VanDerWaalsContact O-N 3.09Å; H619-Y732 AromaticContact CE1-CD2 3.32Å; H619-Y732 WeakPolarHBondContact CE1-CD2 3.09Å; H619-Y732 AromaticContact CE1-CE2 3.44Å; H619-Y732 VanDerWaalsContact CE1-CE2 3.44Å; H619-Y732 WeakPolarHBondContact CE1-CE2 3.47Å; H619-Y732 AromaticContact ND1-CD2 3.61Å; H619-Y732 AromaticContact NE2-CD2 3.65Å; H619-Y732 AromaticContact NE2-CE2 3.4Å; H619-Y732 WeakPolarHBondContact NE2-CE2 3.44Å
620	D	61.2	Low	67.7	Low	96 Å²	96	44.1 Å²	44.1	51%	0.513	22%	0.222	S	C	.	.	S	Bend	trans	58.1	20.9	173.1	-62.6	-30.5	0	0	0	115.6	S731	D620-S731 PolarHBondContact N-O 2.94Å
621	F	63.5	Low	68.7	Low	18 Å²	18	42.7 Å²	42.7	8%	0.079	22%	0.215	C	C	.	.			trans	-79.4	128.9	172.8	-76.9	-81.2	0	0	0	111.8	P599 Y600 F601 F618 H619 I623 L626 F774	P599-F621 HydrophobicContact CB-CD1 4.06Å; P599-F621 HydrophobicContact CB-CD2 4.31Å; P599-F621 HydrophobicContact CB-CE1 3.97Å; P599-F621 HydrophobicContact CB-CE2 4.28Å; P599-F621 HydrophobicContact CB-CG 4.23Å; P599-F621 HydrophobicContact CB-CZ 4.1Å; Y600-F621 WeakPolarHBondContact O-CE2 3.46Å; F601-F621 HydrophobicContact CB-CE2 4.17Å; F601-F621 HydrophobicContact CB-CZ 4.31Å; F618-F621 HydrophobicContact CB-CD2 3.77Å; F618-F621 HydrophobicContact CB-CE2 4.29Å; F618-F621 HydrophobicContact CD1-CD2 4.09Å; F618-F621 HydrophobicContact CD1-CE2 4.1Å; F618-F621 HydrophobicContact CG-CD2 4.45Å; H619-F621 VanDerWaalsContact O-CD2 3.28Å; H619-F621 WeakPolarHBondContact O-CD2 3.05Å; H619-F621 PolarHBondContact O-N 2.71Å; H619-F621 VanDerWaalsContact O-N 3.09Å; F621-I623 PolarHBondContact O-N 2.89Å; F621-L626 HydrophobicContact CB-CD1 3.82Å; F621-L626 HydrophobicContact CB-CG 4.17Å; F621-L626 HydrophobicContact CD1-CD2 4.41Å; F621-L626 HydrophobicContact CG-CD1 4.35Å; F621-L626 HydrophobicContact CG-CG 4.45Å; F621-F774 AromaticContact CE1-CE1 3.87Å; F621-F774 HydrophobicContact CE1-CE1 3.87Å; F621-F774 HydrophobicContact CE1-CZ 4.39Å; F621-F774 HydrophobicContact CZ-CE1 4.28Å
622	S	58.9	Low	69.6	Low	65 Å²	65	40.3 Å²	40.3	46%	0.455	20%	0.204	S	C	.	.			trans	-67.9	128.2	164.5	-31.3	0	0	0	0	108.9	S624 L625	S622-S624 PolarHBondContact O-N 3.35Å; S622-L625 VanDerWaalsContact O-CB 3.3Å; S622-L625 WeakPolarHBondContact O-CB 3.43Å; S622-L625 PolarHBondContact O-N 3.17Å
623	I	60.9	Low	70.1	Confident	48 Å²	48	40.3 Å²	40.3	25%	0.246	20%	0.204	C	C	.	.	H	α-helix	trans	-54.4	-30.6	-178.8	-70.7	159.3	0	0	0	112.3	F621 L625 L626 E627 I726 N727	F621-I623 PolarHBondContact O-N 2.89Å; I623-L625 PolarHBondContact O-N 3.44Å; I623-L626 PolarHBondContact O-N 2.65Å; I623-L626 VanDerWaalsContact O-N 3.13Å; I623-E627 PolarHBondContact O-N 2.99Å; I623-E627 VanDerWaalsContact O-N 3.08Å; I623-I726 HydrophobicContact CD1-CB 4.5Å; I623-I726 HydrophobicContact CD1-CG2 3.78Å; I623-I726 HydrophobicContact CG1-CG2 4.29Å; I623-N727 WeakPolarHBondContact CD1-O 3.39Å
624	S	61.3	Low	70.6	Confident	67 Å²	67	38.5 Å²	38.5	47%	0.469	20%	0.2	S	C	.	.	H	α-helix	trans	-65.7	-18.7	174.9	54.8	0	0	0	0	115.3	S622 K770	S622-S624 PolarHBondContact O-N 3.35Å; S624-K770 PolarHBondContact O-NZ 3.01Å; S624-K770 VanDerWaalsContact O-NZ 3.12Å
625	L	63	Low	70.8	Confident	35 Å²	35	38.5 Å²	38.5	18%	0.183	20%	0.2	C	C	.	.	H	α-helix	trans	-82.7	-31	173.1	-72.3	159.7	0	0	0	111.7	S622 I623 C629 Y772	S622-L625 VanDerWaalsContact O-CB 3.3Å; S622-L625 WeakPolarHBondContact O-CB 3.43Å; S622-L625 PolarHBondContact O-N 3.17Å; I623-L625 PolarHBondContact O-N 3.44Å; L625-C629 PolarHBondContact O-SG 2.92Å; L625-Y772 HydrophobicContact CD2-CD1 4.48Å; L625-Y772 HydrophobicContact CD2-CD2 3.75Å; L625-Y772 HydrophobicContact CD2-CE1 3.98Å; L625-Y772 HydrophobicContact CD2-CE2 3.14Å; L625-Y772 HydrophobicContact CD2-CG 4.38Å; L625-Y772 WeakPolarHBondContact CD2-OH 3.15Å
626	L	66.1	Low	71	Confident	11 Å²	11	37.9 Å²	37.9	6%	0.058	20%	0.199	C	C	.	.	H	α-helix	trans	-84.1	-17.3	179	-70.5	174.2	0	0	0	112.5	F618 F621 I623 H628 C629 I721	F618-L626 HydrophobicContact CD1-CD1 4.31Å; F618-L626 HydrophobicContact CD1-CD2 3.96Å; F618-L626 HydrophobicContact CE1-CD2 3.96Å; F621-L626 HydrophobicContact CB-CD1 3.82Å; F621-L626 HydrophobicContact CB-CG 4.17Å; F621-L626 HydrophobicContact CD1-CD2 4.41Å; F621-L626 HydrophobicContact CG-CD1 4.35Å; F621-L626 HydrophobicContact CG-CG 4.45Å; I623-L626 PolarHBondContact O-N 2.65Å; I623-L626 VanDerWaalsContact O-N 3.13Å; L626-H628 PolarHBondContact O-N 2.85Å; L626-H628 VanDerWaalsContact O-N 3.17Å; L626-C629 WeakPolarHBondContact O-CB 3.48Å; L626-C629 PolarHBondContact O-N 2.88Å; L626-I721 HydrophobicContact CB-CG2 3.95Å; L626-I721 HydrophobicContact CD1-CG2 4.48Å; L626-I721 HydrophobicContact CD2-CD1 4.35Å; L626-I721 HydrophobicContact CD2-CG2 4.49Å
627	E	62.4	Low	70.8	Confident	98 Å²	98	40.2 Å²	40.2	46%	0.458	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	116	166.7	-80.4	178.7	166.1	0	0	110.3	I623	I623-E627 PolarHBondContact O-N 2.99Å; I623-E627 VanDerWaalsContact O-N 3.08Å
628	H	69.2	Low	70.8	Confident	113 Å²	113	39.5 Å²	39.5	52%	0.523	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	8.1	-175.9	-46.9	-44.1	0	0	0	117	L626 D722 P769	L626-H628 PolarHBondContact O-N 2.85Å; L626-H628 VanDerWaalsContact O-N 3.17Å; H628-D722 WeakPolarHBondContact CA-OD1 3.31Å; H628-D722 WeakPolarHBondContact CA-OD2 3.29Å; H628-D722 IonicContact CE1-OD2 3.81Å; H628-D722 IonicContact CG-OD2 3.43Å; H628-D722 PolarHBondContact N-OD1 2.82Å; H628-D722 PolarHBondContact N-OD2 3.26Å; H628-D722 IonicContact ND1-OD2 3.99Å; H628-D722 PolarHBondContact ND1-OD2 2.82Å; H628-P769 HydrophobicContact CB-CG 3.37Å; H628-P769 WeakPolarHBondContact O-CD 3.36Å
629	C	71.5	Confident	71	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.			trans	-80.3	141.8	177.2	-62	0	0	0	0	112.8	L625 L626 I721 L766 N767 C768	L625-C629 PolarHBondContact O-SG 2.92Å; L626-C629 WeakPolarHBondContact O-CB 3.48Å; L626-C629 PolarHBondContact O-N 2.88Å; C629-I721 HydrophobicContact CB-CD1 3.97Å; C629-I721 WeakPolarHBondContact O-CG1 3.45Å; C629-I721 PolarHBondContact O-N 2.85Å; C629-I721 VanDerWaalsContact O-N 3.08Å; C629-L766 HydrophobicContact CB-CD1 4.11Å; C629-N767 CarbonylContact C-O 3.57Å; C629-N767 WeakPolarHBondContact CA-O 3.25Å; C629-C768 HydrophobicContact CB-CB 4.18Å; C629-C768 WeakPolarHBondContact CB-SG 3.14Å; C629-C768 WeakPolarHBondContact SG-CB 3.22Å; C629-C768 CovalentContact SG-SG 2.03Å; C629-C768 PolarHBondContact SG-SG 3.17Å
630	Q	76.2	Confident	71.4	Confident	63 Å²	63	39.5 Å²	39.5	29%	0.294	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.6	175.2	-62.6	-171.3	-18.2	0	0	110.9	H632 F719 N720 N767	Q630-H632 PolarHBondContact OE1-NE2 3.26Å; Q630-H632 VanDerWaalsContact OE1-NE2 3.12Å; Q630-F719 CarbonylContact C-O 3.47Å; Q630-F719 VanDerWaalsContact CA-O 3.26Å; Q630-F719 WeakPolarHBondContact CA-O 3.46Å; Q630-N720 WeakPolarHBondContact CG-OD1 3.48Å; Q630-N720 PolarHBondContact NE2-OD1 2.81Å; Q630-N720 VanDerWaalsContact NE2-OD1 3.11Å; Q630-N767 PolarHBondContact N-O 2.8Å; Q630-N767 PolarHBondContact O-N 2.8Å
631	L	78.4	Confident	72.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.4	170.5	-175.9	70.7	0	0	0	109.3	F601 K718 F719 L735 I737 P764	F601-L631 HydrophobicContact CE1-CD1 4.35Å; F601-L631 HydrophobicContact CE2-CD1 4.42Å; F601-L631 HydrophobicContact CZ-CD1 3.65Å; L631-K718 CarbonylContact O-C 3.44Å; L631-K718 WeakPolarHBondContact O-CA 3.2Å; L631-F719 HydrophobicContact CB-CB 4.24Å; L631-F719 HydrophobicContact CB-CD2 4.45Å; L631-F719 HydrophobicContact CD2-CD2 4.36Å; L631-F719 PolarHBondContact N-O 2.86Å; L631-F719 PolarHBondContact O-N 3.13Å; L631-L735 HydrophobicContact CD2-CD2 4.17Å; L631-I737 HydrophobicContact CD2-CD1 4.22Å; L631-P764 HydrophobicContact CD1-CB 3.7Å; L631-P764 HydrophobicContact CG-CB 4.38Å
632	H	83.6	Confident	72.2	Confident	19 Å²	19	34.2 Å²	34.2	9%	0.088	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.9	179.1	-69.5	-159.5	0	0	0	109.1	Q630 F717 K718 I765 N767	Q630-H632 PolarHBondContact OE1-NE2 3.26Å; Q630-H632 VanDerWaalsContact OE1-NE2 3.12Å; H632-F717 CarbonylContact C-O 3.6Å; H632-F717 WeakPolarHBondContact CA-O 3.18Å; H632-K718 VanDerWaalsContact CE1-CE 3.4Å; H632-K718 WeakPolarHBondContact CE1-CE 3.16Å; H632-I765 HydrophobicContact CB-CB 4.39Å; H632-I765 PolarHBondContact N-O 2.84Å; H632-I765 PolarHBondContact O-N 3.13Å; H632-N767 PolarHBondContact CE1-ND2 2.64Å; H632-N767 PolarHBondContact ND1-ND2 2.98Å
633	L	83.2	Confident	72.3	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.2	176.2	-179.1	67.7	0	0	0	109.5	L614 L635 I641 T716 F717 F719 I737 L739 P764	L614-L633 HydrophobicContact CD2-CD1 3.67Å; L614-L633 HydrophobicContact CD2-CD2 4.32Å; L633-L635 HydrophobicContact CD1-CD2 4.33Å; L633-L635 HydrophobicContact CD2-CD1 4.39Å; L633-L635 HydrophobicContact CD2-CD2 4.07Å; L633-L635 HydrophobicContact CD2-CG 4.27Å; L633-L635 HydrophobicContact CG-CD2 3.99Å; L633-L635 HydrophobicContact CG-CG 4.14Å; L633-I641 HydrophobicContact CD2-CD1 4.14Å; L633-T716 WeakPolarHBondContact O-CA 3.49Å; L633-F717 HydrophobicContact CB-CB 4.34Å; L633-F717 PolarHBondContact N-O 2.91Å; L633-F717 PolarHBondContact O-N 3Å; L633-F719 HydrophobicContact CB-CE2 4.27Å; L633-I737 HydrophobicContact CD2-CD1 4.49Å; L633-I737 HydrophobicContact CD2-CG2 4.17Å; L633-L739 HydrophobicContact CD2-CD2 4.03Å; L633-P764 HydrophobicContact CD1-CG 4.02Å
634	H	84.4	Confident	71.9	Confident	57 Å²	57	36 Å²	36	26%	0.264	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.5	177.9	-65.9	-72	0	0	0	110.2	T716 K762	H634-T716 WeakPolarHBondContact CE1-CG2 3.48Å; H634-T716 PolarHBondContact CE1-OG1 3.5Å; H634-T716 WeakPolarHBondContact ND1-CG2 3.38Å; H634-T716 PolarHBondContact ND1-OG1 3.19Å; H634-K762 HydrophobicContact CB-CB 4.43Å
635	L	81.7	Confident	71.7	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.5	179.6	-63.5	178.7	0	0	0	110.4	L633 F639 I641 P714 L715 F717 L739 I761	L633-L635 HydrophobicContact CD1-CD2 4.33Å; L633-L635 HydrophobicContact CD2-CD1 4.39Å; L633-L635 HydrophobicContact CD2-CD2 4.07Å; L633-L635 HydrophobicContact CD2-CG 4.27Å; L633-L635 HydrophobicContact CG-CD2 3.99Å; L633-L635 HydrophobicContact CG-CG 4.14Å; L635-F639 HydrophobicContact CB-CB 4.03Å; L635-F639 HydrophobicContact CD2-CB 4.37Å; L635-I641 HydrophobicContact CD1-CG1 4.05Å; L635-P714 CarbonylContact O-C 3.46Å; L635-P714 VanDerWaalsContact O-CA 3.31Å; L635-P714 WeakPolarHBondContact O-CA 3.44Å; L635-P714 WeakPolarHBondContact O-CB 3.26Å; L635-L715 PolarHBondContact N-O 3.11Å; L635-L715 PolarHBondContact O-N 3.28Å; L635-F717 HydrophobicContact CD1-CD2 3.88Å; L635-F717 HydrophobicContact CD1-CE2 3.75Å; L635-F717 HydrophobicContact CG-CD2 4.5Å; L635-L739 HydrophobicContact CD1-CD2 3.65Å; L635-L739 HydrophobicContact CD2-CD1 3.88Å; L635-L739 HydrophobicContact CD2-CD2 3.76Å; L635-L739 HydrophobicContact CD2-CG 4.46Å; L635-L739 HydrophobicContact CG-CD2 4.35Å; L635-I761 HydrophobicContact CD2-CG2 4.25Å
636	P	79.2	Confident	71.3	Confident	28 Å²	28	34.4 Å²	34.4	18%	0.182	17%	0.166	C	C	.	.			trans	-67.5	166.8	173.6	27	-30.4	0	0	0	111.4	G638 F639 I761	P636-G638 PolarHBondContact O-N 3.2Å; P636-F639 HydrophobicContact CG-CD2 3.7Å; P636-F639 HydrophobicContact CG-CE2 4.16Å; P636-F639 HydrophobicContact CG-CG 4.15Å; P636-F639 PolarHBondContact O-N 3.46Å; P636-F639 VanDerWaalsContact O-N 3.11Å; P636-I761 HydrophobicContact CG-CG1 4.27Å
637	S	72.5	Confident	70.5	Confident	49 Å²	49	37.6 Å²	37.6	34%	0.343	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	134.4	176.7	52.4	0	0	0	0	111.3	A712	S637-A712 WeakPolarHBondContact CB-O 3.48Å
638	G	71.2	Confident	69.8	Low	7 Å²	7	37 Å²	37	7%	0.072	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-18.2	-177.3	0	0	0	0	0	114.5	P636 L711 Y741 H742	P636-G638 PolarHBondContact O-N 3.2Å; G638-L711 PolarHBondContact N-O 3.11Å; G638-Y741 CarbonylContact O-C 3.56Å; G638-Y741 VanDerWaalsContact O-CA 3.22Å; G638-Y741 WeakPolarHBondContact O-CA 3.25Å; G638-H742 WeakPolarHBondContact CA-O 3.35Å; G638-H742 PolarHBondContact O-N 3.11Å
639	F	75.9	Confident	68.7	Low	11 Å²	11	39 Å²	39	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.5	-178.9	-71.6	-109	0	0	0	111.9	L612 L635 P636 R740 Y741 T759 I761 V785	L612-F639 HydrophobicContact CD1-CD1 4.05Å; L612-F639 HydrophobicContact CD1-CE1 3.59Å; L635-F639 HydrophobicContact CB-CB 4.03Å; L635-F639 HydrophobicContact CD2-CB 4.37Å; P636-F639 HydrophobicContact CG-CD2 3.7Å; P636-F639 HydrophobicContact CG-CE2 4.16Å; P636-F639 HydrophobicContact CG-CG 4.15Å; P636-F639 PolarHBondContact O-N 3.46Å; P636-F639 VanDerWaalsContact O-N 3.11Å; F639-R740 CarbonylContact C-O 3.57Å; F639-R740 WeakPolarHBondContact CA-O 3.46Å; F639-Y741 HydrophobicContact CE1-CD1 4.01Å; F639-Y741 HydrophobicContact CE1-CG 4.05Å; F639-Y741 HydrophobicContact CZ-CD1 4.37Å; F639-Y741 HydrophobicContact CZ-CG 4.07Å; F639-T759 HydrophobicContact CE1-CG2 4.4Å; F639-T759 HydrophobicContact CE2-CG2 3.58Å; F639-T759 HydrophobicContact CZ-CG2 3.4Å; F639-I761 HydrophobicContact CD1-CD1 3.73Å; F639-I761 HydrophobicContact CE1-CD1 3.81Å; F639-V785 HydrophobicContact CE1-CG1 4.36Å; F639-V785 HydrophobicContact CZ-CG1 4.44Å
640	F	75.3	Confident	67.8	Low	40 Å²	40	40.5 Å²	40.5	18%	0.175	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	163.8	-179.7	63.7	-85.6	0	0	0	112.3	L711 L739 R740	F640-L711 HydrophobicContact CB-CD2 3.75Å; F640-L711 HydrophobicContact CD1-CD1 4.25Å; F640-L711 HydrophobicContact CD1-CD2 3.86Å; F640-L711 HydrophobicContact CE1-CD1 4.48Å; F640-L711 HydrophobicContact CG-CD2 4.05Å; F640-L739 CarbonylContact O-C 3.54Å; F640-L739 WeakPolarHBondContact O-CA 3.41Å; F640-R740 HydrophobicContact CD1-CB 4.41Å; F640-R740 HydrophobicContact CD2-CB 4.29Å; F640-R740 HydrophobicContact CE1-CB 3.85Å; F640-R740 HydrophobicContact CE2-CB 3.72Å; F640-R740 HydrophobicContact CE2-CG 4.39Å; F640-R740 HydrophobicContact CZ-CB 3.48Å; F640-R740 VanDerWaalsContact CZ-CB 3.48Å; F640-R740 HydrophobicContact CZ-CG 4.39Å; F640-R740 PolarHBondContact N-O 3.36Å; F640-R740 PolarHBondContact O-N 3.23Å
641	I	75.1	Confident	66.7	Low	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.6	178.3	-53.1	-170.2	0	0	0	109.9	L633 L635 P643 L646 F717 F719 I737 H738 L739	L633-I641 HydrophobicContact CD2-CD1 4.14Å; L635-I641 HydrophobicContact CD1-CG1 4.05Å; I641-P643 VanDerWaalsContact O-CD 3.27Å; I641-P643 WeakPolarHBondContact O-CD 3.3Å; I641-L646 HydrophobicContact CG2-CD1 3.71Å; I641-L646 HydrophobicContact CG2-CG 4.49Å; I641-F717 HydrophobicContact CB-CE1 4.44Å; I641-F717 HydrophobicContact CB-CZ 4.45Å; I641-F717 HydrophobicContact CD1-CB 4.1Å; I641-F717 HydrophobicContact CD1-CD1 3.5Å; I641-F717 HydrophobicContact CD1-CD2 3.9Å; I641-F717 HydrophobicContact CD1-CE1 3.81Å; I641-F717 HydrophobicContact CD1-CE2 4.2Å; I641-F717 HydrophobicContact CD1-CG 3.55Å; I641-F717 HydrophobicContact CD1-CZ 4.16Å; I641-F717 HydrophobicContact CG1-CD1 4.2Å; I641-F717 HydrophobicContact CG1-CD2 4.15Å; I641-F717 HydrophobicContact CG1-CE1 4.03Å; I641-F717 HydrophobicContact CG1-CE2 4.01Å; I641-F717 HydrophobicContact CG1-CG 4.26Å; I641-F717 HydrophobicContact CG1-CZ 3.94Å; I641-F719 HydrophobicContact CD1-CE1 4.43Å; I641-F719 HydrophobicContact CD1-CE2 4.17Å; I641-F719 HydrophobicContact CD1-CZ 3.46Å; I641-F719 VanDerWaalsContact CD1-CZ 3.46Å; I641-I737 HydrophobicContact CD1-CG2 4.06Å; I641-I737 HydrophobicContact CG1-CG2 4.38Å; I641-I737 HydrophobicContact CG2-CG2 4.14Å; I641-H738 CarbonylContact C-O 3.58Å; I641-H738 WeakPolarHBondContact CA-O 3.33Å; I641-H738 WeakPolarHBondContact CG2-O 3.21Å; I641-L739 HydrophobicContact CG1-CD2 3.75Å
642	D	67.2	Low	65.5	Low	2 Å²	2	45.5 Å²	45.5	1%	0.011	25%	0.245	C	C	.	.			trans	-69.2	113.4	177	-168.9	-17.8	0	0	0	110.9	Y644 H738 R740	D642-Y644 VanDerWaalsContact C-N 3.27Å; D642-Y644 PolarHBondContact O-N 3.21Å; D642-Y644 PolarHBondContact OD1-N 2.82Å; D642-H738 HydrophobicContact CB-CB 4Å; D642-H738 PolarHBondContact N-O 3.19Å; D642-R740 HydrophobicContact CB-CG 4.31Å; D642-R740 IonicContact OD2-CZ 3.52Å; D642-R740 IonicContact OD2-NE 2.75Å; D642-R740 PolarHBondContact OD2-NE 3.45Å; D642-R740 IonicContact OD2-NH2 3.66Å; D642-R740 PolarHBondContact OD2-NH2 2.66Å
643	P	59.6	Low	64.2	Low	6 Å²	6	44.8 Å²	44.8	4%	0.039	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.8	-178.4	28	-33.4	0	0	0	113.1	I641 T647 W676 F677	I641-P643 VanDerWaalsContact O-CD 3.27Å; I641-P643 WeakPolarHBondContact O-CD 3.3Å; P643-T647 WeakPolarHBondContact O-CG2 3.28Å; P643-W676 HydrophobicContact CB-CH2 4.22Å; P643-W676 HydrophobicContact CB-CZ3 4Å; P643-W676 HydrophobicContact CG-CE3 4.43Å; P643-W676 HydrophobicContact CG-CH2 3.29Å; P643-W676 HydrophobicContact CG-CZ2 4.32Å; P643-W676 HydrophobicContact CG-CZ3 3.38Å; P643-F677 HydrophobicContact CB-CD2 3.7Å; P643-F677 HydrophobicContact CB-CE2 3.67Å; P643-F677 HydrophobicContact CB-CG 4.3Å; P643-F677 HydrophobicContact CB-CZ 4.25Å
644	Y	54	Low	63	Low	144 Å²	144	51.2 Å²	51.2	57%	0.565	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-32.4	-175.5	-68.2	-80.6	0	0	0	112.1	D642 T647 W676	D642-Y644 VanDerWaalsContact C-N 3.27Å; D642-Y644 PolarHBondContact O-N 3.21Å; D642-Y644 PolarHBondContact OD1-N 2.82Å; Y644-T647 PolarHBondContact O-OG1 2.92Å; Y644-W676 AromaticContact CE2-CH2 3.98Å; Y644-W676 HydrophobicContact CE2-CH2 3.98Å; Y644-W676 AromaticContact CE2-CZ2 3.85Å; Y644-W676 HydrophobicContact CE2-CZ2 3.85Å; Y644-W676 AromaticContact CZ-CZ2 3.88Å; Y644-W676 WeakPolarHBondContact OH-CZ2 3.26Å
645	E	56.9	Low	62	Low	60 Å²	60	50.6 Å²	50.6	28%	0.28	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-82.5	-16.6	-178.1	-70.8	-149.4	-123.1	0	0	114	H611 T647 H738	H611-E645 IonicContact ND1-OE1 3.24Å; E645-T647 PolarHBondContact O-N 2.98Å; E645-T647 VanDerWaalsContact O-N 3.13Å; E645-H738 HydrophobicContact CB-CB 3.93Å; E645-H738 IonicContact OE1-CE1 2.76Å; E645-H738 PolarHBondContact OE1-CE1 3.48Å; E645-H738 IonicContact OE1-CG 3.75Å; E645-H738 IonicContact OE1-ND1 3.07Å; E645-H738 PolarHBondContact OE1-ND1 3.03Å; E645-H738 IonicContact OE2-CD2 3.14Å; E645-H738 IonicContact OE2-CE1 2.97Å; E645-H738 PolarHBondContact OE2-CE1 3.05Å; E645-H738 IonicContact OE2-CG 3.16Å; E645-H738 IonicContact OE2-ND1 2.67Å; E645-H738 PolarHBondContact OE2-ND1 3.1Å; E645-H738 IonicContact OE2-NE2 2.72Å; E645-H738 PolarHBondContact OE2-NE2 3.17Å
646	L	53.6	Low	61.2	Low	10 Å²	10	53.2 Å²	53.2	5%	0.052	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-67.4	-7.2	171.3	-78.7	158.5	0	0	0	113.8	I641 Q650 L653 F677	I641-L646 HydrophobicContact CG2-CD1 3.71Å; I641-L646 HydrophobicContact CG2-CG 4.49Å; L646-Q650 VanDerWaalsContact CD2-OE1 3.27Å; L646-L653 HydrophobicContact CD2-CD1 3.84Å; L646-F677 HydrophobicContact CD1-CE1 3.62Å; L646-F677 HydrophobicContact CD1-CE2 4.33Å; L646-F677 HydrophobicContact CD1-CZ 3.22Å
647	T	48.8	Very low	60.6	Low	77 Å²	77	53.6 Å²	53.6	47%	0.472	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-98.7	-15.1	-163.1	65.4	0	0	0	0	115.8	P643 Y644 E645	P643-T647 WeakPolarHBondContact O-CG2 3.28Å; Y644-T647 PolarHBondContact O-OG1 2.92Å; E645-T647 PolarHBondContact O-N 2.98Å; E645-T647 VanDerWaalsContact O-N 3.13Å
648	S	48.2	Very low	60.4	Low	87 Å²	87	54.9 Å²	54.9	61%	0.608	29%	0.287	S	S	*	.	S	Bend	trans	-100.5	-39.4	-169.4	57.9	0	0	0	0	114.9
649	N	46.4	Very low	60	Low	153 Å²	153	55.3 Å²	55.3	82%	0.818	29%	0.288	S	S	*	.	S	Bend	trans	-135.1	6.1	-170.1	-76.9	-16.4	0	0	0	115.3
650	Q	53.3	Low	59.1	Low	32 Å²	32	59.2 Å²	59.2	15%	0.15	31%	0.314	C	S	.	.			trans	-104.1	142	-172.6	-66.1	-168.3	19.4	0	0	114	L646 L653 P736	L646-Q650 VanDerWaalsContact CD2-OE1 3.27Å; Q650-L653 VanDerWaalsContact OE1-CD1 3.32Å; Q650-P736 VanDerWaalsContact CD-O 3.23Å; Q650-P736 HydrophobicContact CG-CG 4.44Å; Q650-P736 PolarHBondContact NE2-O 2.64Å; Q650-P736 PolarHBondContact OE1-O 3.03Å
651	P	52.6	Low	58.1	Low	48 Å²	48	61 Å²	61	31%	0.312	34%	0.343	S	S	.	.			trans	-55.6	157.3	170.4	24	-35.4	0	0	0	111.8	L653 L724 L735	P651-L653 PolarHBondContact O-N 3Å; P651-L724 HydrophobicContact CB-CB 4.2Å; P651-L724 HydrophobicContact CB-CD2 3.69Å; P651-L724 HydrophobicContact CG-CB 4.33Å; P651-L724 HydrophobicContact CG-CD2 3.22Å; P651-L724 HydrophobicContact CG-CG 4.37Å; P651-L735 HydrophobicContact CG-CD1 4.45Å
652	N	53.4	Low	56.5	Low	122 Å²	122	66 Å²	66	65%	0.652	37%	0.369	S	S	*	.			trans	-61.3	75	-175.5	-81.3	-31.6	0	0	0	113.4	K654	N652-K654 PolarHBondContact O-N 2.88Å; N652-K654 VanDerWaalsContact O-N 3.15Å
653	L	56.4	Low	55.6	Low	3 Å²	3	73 Å²	73	2%	0.016	40%	0.401	C	S	.	.			trans	-67.7	109.2	175.3	-78.5	162.4	0	0	0	110.2	L646 Q650 P651 K681 F719 L724 L735	L646-L653 HydrophobicContact CD2-CD1 3.84Å; Q650-L653 VanDerWaalsContact OE1-CD1 3.32Å; P651-L653 PolarHBondContact O-N 3Å; L653-K681 PolarHBondContact O-NZ 3.31Å; L653-F719 HydrophobicContact CB-CD1 4.39Å; L653-F719 HydrophobicContact CD2-CB 4.2Å; L653-F719 HydrophobicContact CD2-CD1 3.79Å; L653-F719 HydrophobicContact CD2-CG 4.33Å; L653-L724 HydrophobicContact CD2-CD2 3.65Å; L653-L724 HydrophobicContact CD2-CG 4.48Å; L653-L724 HydrophobicContact CG-CD2 3.9Å; L653-L735 HydrophobicContact CD1-CD1 3.98Å; L653-L735 HydrophobicContact CD1-CD2 4.37Å; L653-L735 HydrophobicContact CD1-CG 4.34Å; L653-L735 HydrophobicContact CD2-CD1 3.97Å; L653-L735 HydrophobicContact CD2-CD2 3.93Å; L653-L735 HydrophobicContact CD2-CG 4.49Å; L653-L735 HydrophobicContact CG-CD1 4.23Å
654	K	57.9	Low	55	Low	136 Å²	136	81.5 Å²	81.5	59%	0.591	44%	0.441	S	S	*	.			trans	-88.2	133.5	160.3	-69.5	-164.6	-156.2	165	0	108.5	N652 N720	N652-K654 PolarHBondContact O-N 2.88Å; N652-K654 VanDerWaalsContact O-N 3.15Å; K654-N720 PolarHBondContact O-N 3.2Å
655	F	64.2	Low	54.6	Low	45 Å²	45	83.1 Å²	83.1	20%	0.197	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.7	177.8	64.2	-81.9	0	0	0	111.1	I657 F677 F717 K718 F719	F655-I657 HydrophobicContact CD2-CG1 3.95Å; F655-I657 HydrophobicContact CE2-CD1 3.96Å; F655-I657 HydrophobicContact CE2-CG1 3.86Å; F655-F677 HydrophobicContact CD1-CE1 4.23Å; F655-F677 AromaticContact CE1-CD1 3.39Å; F655-F677 HydrophobicContact CE1-CD1 3.39Å; F655-F677 AromaticContact CE1-CE1 3.11Å; F655-F677 HydrophobicContact CE1-CE1 3.11Å; F655-F677 HydrophobicContact CE1-CG 4.23Å; F655-F677 AromaticContact CE1-CZ 3.74Å; F655-F677 HydrophobicContact CE1-CZ 3.74Å; F655-F677 HydrophobicContact CE2-CE1 4.5Å; F655-F677 HydrophobicContact CZ-CB 4.38Å; F655-F677 AromaticContact CZ-CD1 3.28Å; F655-F677 HydrophobicContact CZ-CD1 3.28Å; F655-F677 HydrophobicContact CZ-CD2 4.03Å; F655-F677 AromaticContact CZ-CE1 3.29Å; F655-F677 HydrophobicContact CZ-CE1 3.29Å; F655-F677 HydrophobicContact CZ-CE2 4.03Å; F655-F677 AromaticContact CZ-CG 3.65Å; F655-F677 HydrophobicContact CZ-CG 3.65Å; F655-F677 AromaticContact CZ-CZ 3.63Å; F655-F677 HydrophobicContact CZ-CZ 3.63Å; F655-F717 AromaticContact CD2-CD1 3.71Å; F655-F717 HydrophobicContact CD2-CD1 3.71Å; F655-F717 HydrophobicContact CD2-CE1 4.04Å; F655-F717 HydrophobicContact CE2-CD1 4.14Å; F655-F717 AromaticContact CE2-CE1 3.99Å; F655-F717 HydrophobicContact CE2-CE1 3.99Å; F655-F717 HydrophobicContact CG-CD1 4.44Å; F655-K718 CarbonylContact C-O 3.44Å; F655-K718 WeakPolarHBondContact CA-O 3.46Å; F655-K718 WeakPolarHBondContact CB-O 3.38Å; F655-F719 HydrophobicContact CB-CD1 3.68Å; F655-F719 HydrophobicContact CB-CE1 3.84Å; F655-F719 HydrophobicContact CB-CG 4.37Å; F655-F719 HydrophobicContact CG-CE1 4.31Å
656	S	63.2	Low	54.1	Low	56 Å²	56	82.7 Å²	82.7	39%	0.392	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.1	167.3	59	0	0	0	0	109.6	K718	S656-K718 PolarHBondContact N-O 2.85Å; S656-K718 PolarHBondContact O-N 3.36Å
657	I	66.7	Low	54.1	Low	36 Å²	36	87.4 Å²	87.4	19%	0.185	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.2	177.5	-55.4	176	0	0	0	107.5	F655 F673 V674 L715 T716 F717	F655-I657 HydrophobicContact CD2-CG1 3.95Å; F655-I657 HydrophobicContact CE2-CD1 3.96Å; F655-I657 HydrophobicContact CE2-CG1 3.86Å; I657-F673 HydrophobicContact CD1-CD1 3.98Å; I657-F673 HydrophobicContact CD1-CE1 3.89Å; I657-V674 HydrophobicContact CD1-CG2 4.23Å; I657-L715 HydrophobicContact CG2-CD2 3.9Å; I657-T716 WeakPolarHBondContact CA-O 3.03Å; I657-F717 HydrophobicContact CD1-CE1 3.82Å; I657-F717 HydrophobicContact CD1-CZ 4.14Å; I657-F717 HydrophobicContact CG1-CD1 4.01Å; I657-F717 HydrophobicContact CG1-CE1 3.76Å; I657-F717 HydrophobicContact CG1-CZ 4.29Å
658	I	68.9	Low	54.3	Low	76 Å²	76	87 Å²	87	39%	0.39	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130	170.2	-55.9	-168.1	0	0	0	108.8	T716 K718	I658-T716 PolarHBondContact N-O 3.38Å; I658-T716 PolarHBondContact O-N 3.42Å; I658-K718 HydrophobicContact CD1-CD 3.93Å; I658-K718 HydrophobicContact CG1-CD 4.46Å
659	Q	62.9	Low	54.5	Low	17 Å²	17	85.1 Å²	85.1	8%	0.079	46%	0.457	C	S	.	.			trans	-119.6	125.6	172.1	-162.4	177.4	18.6	0	0	108.7	G661 L715	Q659-G661 PolarHBondContact O-N 2.9Å; Q659-L715 HydrophobicContact CB-CD2 4.34Å; Q659-L715 HydrophobicContact CG-CD2 4.17Å
660	P	56.7	Low	54.9	Low	92 Å²	92	79.1 Å²	79.1	60%	0.597	42%	0.424	S	S	*	.	S	Bend	trans	-71.4	124.3	173.5	25.9	-28.1	0	0	0	110.2
661	G	54	Low	55.1	Low	77 Å²	77	83.4 Å²	83.4	79%	0.794	44%	0.443	S	S	*	.	S	Bend	trans	103	43.7	170.2	0	0	0	0	0	118	Q659 Q663	Q659-G661 PolarHBondContact O-N 2.9Å; G661-Q663 PolarHBondContact O-N 3.46Å; G661-Q663 VanDerWaalsContact O-N 3.15Å
662	I	42.7	Very low	55.3	Low	108 Å²	108	87 Å²	87	55%	0.554	46%	0.455	S	S	*	.			trans	-65.7	110.9	-173.2	-59.6	169.8	0	0	0	113	H667	I662-H667 HydrophobicContact CG2-CB 4.47Å
663	Q	47.3	Very low	55.3	Low	147 Å²	147	82.4 Å²	82.4	69%	0.687	43%	0.429	S	S	*	.			trans	-80	135.4	151.1	-73.9	-169.4	-15.2	0	0	109.5	G661 K665 L666	G661-Q663 PolarHBondContact O-N 3.46Å; G661-Q663 VanDerWaalsContact O-N 3.15Å; Q663-K665 PolarHBondContact O-N 2.91Å; Q663-L666 PolarHBondContact O-N 3.23Å
664	Q	46.9	Very low	55.2	Low	185 Å²	185	84.6 Å²	84.6	86%	0.864	44%	0.443	S	S	*	.	H	α-helix	trans	-50.5	-27.8	-177.9	-77.2	178.2	-11.9	0	0	114.5	H667	Q664-H667 PolarHBondContact O-N 2.83Å
665	K	45	Very low	55	Low	179 Å²	179	81.9 Å²	81.9	78%	0.778	44%	0.435	S	S	*	.	H	α-helix	trans	-68.6	-32	179.5	-126.7	180	-178.1	-176.1	0	113.5	Q663 S668	Q663-K665 PolarHBondContact O-N 2.91Å; K665-S668 PolarHBondContact O-OG 2.95Å; K665-S668 VanDerWaalsContact O-OG 3.06Å
666	L	47.6	Very low	54.5	Low	51 Å²	51	84.1 Å²	84.1	27%	0.267	44%	0.442	S	S	.	.	H	α-helix	trans	-76.6	-26.6	178.9	-125.2	80.4	0	0	0	112	Q663 S668 T669 I670 W710	Q663-L666 PolarHBondContact O-N 3.23Å; L666-S668 VanDerWaalsContact C-N 3.26Å; L666-S668 PolarHBondContact O-N 3.2Å; L666-T669 PolarHBondContact O-N 3.1Å; L666-I670 WeakPolarHBondContact O-CG1 3.21Å; L666-I670 PolarHBondContact O-N 3.21Å; L666-W710 HydrophobicContact CD2-CB 3.98Å; L666-W710 HydrophobicContact CG-CB 4.37Å
667	H	53.2	Low	53.8	Low	109 Å²	109	81.8 Å²	81.8	51%	0.505	43%	0.425	S	S	.	.	H	α-helix	trans	-61.6	-33.3	-176.7	-161.7	-21.4	0	0	0	112.1	I662 Q664 K671	I662-H667 HydrophobicContact CG2-CB 4.47Å; Q664-H667 PolarHBondContact O-N 2.83Å; H667-K671 VanDerWaalsContact O-CB 3.26Å; H667-K671 WeakPolarHBondContact O-CB 3.44Å; H667-K671 PolarHBondContact O-N 3.09Å
668	S	52.3	Low	52.9	Low	68 Å²	68	83 Å²	83	48%	0.476	43%	0.434	S	S	.	.	H	α-helix	trans	-67.6	-37.6	174.9	54.7	0	0	0	0	112.7	K665 L666 K671 Q672	K665-S668 PolarHBondContact O-OG 2.95Å; K665-S668 VanDerWaalsContact O-OG 3.06Å; L666-S668 VanDerWaalsContact C-N 3.26Å; L666-S668 PolarHBondContact O-N 3.2Å; S668-K671 PolarHBondContact O-N 3.13Å; S668-Q672 WeakPolarHBondContact O-CG 3.48Å; S668-Q672 PolarHBondContact O-N 3.07Å
669	T	53.5	Low	51.8	Low	47 Å²	47	88.7 Å²	88.7	29%	0.288	45%	0.452	S	S	.	.	H	α-helix	trans	-75.1	-40	-176.7	-38.1	0	0	0	0	111.1	L666 K671 Q672 F673	L666-T669 PolarHBondContact O-N 3.1Å; T669-K671 VanDerWaalsContact C-N 3.29Å; T669-K671 PolarHBondContact O-N 3.06Å; T669-Q672 WeakPolarHBondContact O-CB 3.24Å; T669-Q672 PolarHBondContact O-N 2.88Å; T669-F673 PolarHBondContact O-N 3.36Å
670	I	54.2	Low	51	Low	27 Å²	27	90.1 Å²	90.1	14%	0.138	46%	0.464	C	S	.	.	H	α-helix	trans	-63	-39.3	170.5	-61.3	167.2	0	0	0	110	L666 Q672 F673 V674	L666-I670 WeakPolarHBondContact O-CG1 3.21Å; L666-I670 PolarHBondContact O-N 3.21Å; I670-Q672 VanDerWaalsContact C-N 3.31Å; I670-Q672 PolarHBondContact O-N 2.93Å; I670-F673 PolarHBondContact O-N 3.27Å; I670-V674 HydrophobicContact CG2-CG2 4.27Å; I670-V674 WeakPolarHBondContact O-CG2 3.2Å; I670-V674 PolarHBondContact O-N 2.7Å
671	K	57.1	Low	50.2	Low	122 Å²	122	89.3 Å²	89.3	53%	0.53	45%	0.451	S	S	.	.	H	α-helix	trans	-65.2	-35.4	176	-157.7	175.3	-171.1	180	0	111.7	H667 S668 T669 N675	H667-K671 VanDerWaalsContact O-CB 3.26Å; H667-K671 WeakPolarHBondContact O-CB 3.44Å; H667-K671 PolarHBondContact O-N 3.09Å; S668-K671 PolarHBondContact O-N 3.13Å; T669-K671 VanDerWaalsContact C-N 3.29Å; T669-K671 PolarHBondContact O-N 3.06Å; K671-N675 WeakPolarHBondContact O-CB 3.44Å; K671-N675 PolarHBondContact O-N 3.01Å; K671-N675 PolarHBondContact O-ND2 3.49Å; K671-N675 PolarHBondContact O-OD1 3.34Å
672	Q	56.6	Low	49.3	Very low	125 Å²	125	91.8 Å²	91.8	58%	0.584	45%	0.445	S	S	*	.	H	α-helix	trans	-64	-43.3	170.3	-74.6	175	-2.3	0	0	111.8	S668 T669 I670 N675 W676	S668-Q672 WeakPolarHBondContact O-CG 3.48Å; S668-Q672 PolarHBondContact O-N 3.07Å; T669-Q672 WeakPolarHBondContact O-CB 3.24Å; T669-Q672 PolarHBondContact O-N 2.88Å; I670-Q672 VanDerWaalsContact C-N 3.31Å; I670-Q672 PolarHBondContact O-N 2.93Å; Q672-N675 PolarHBondContact O-N 3.31Å; Q672-W676 VanDerWaalsContact O-CB 3.22Å; Q672-W676 WeakPolarHBondContact O-CB 3.44Å; Q672-W676 PolarHBondContact O-N 3.01Å
673	F	53.3	Low	48.8	Very low	24 Å²	24	98 Å²	98	11%	0.105	46%	0.462	C	S	.	.	H	α-helix	trans	-63.1	-48.8	175.4	178.4	-100.3	0	0	0	111.9	I657 T669 I670 N675 W676 F677 W710	I657-F673 HydrophobicContact CD1-CD1 3.98Å; I657-F673 HydrophobicContact CD1-CE1 3.89Å; T669-F673 PolarHBondContact O-N 3.36Å; I670-F673 PolarHBondContact O-N 3.27Å; F673-N675 VanDerWaalsContact C-N 3.32Å; F673-N675 PolarHBondContact O-N 3.34Å; F673-W676 AromaticContact CD2-CE3 3.94Å; F673-W676 HydrophobicContact CD2-CE3 3.94Å; F673-W676 HydrophobicContact CD2-CZ3 4.11Å; F673-W676 AromaticContact CE2-CE3 3.99Å; F673-W676 HydrophobicContact CE2-CE3 3.99Å; F673-W676 AromaticContact CE2-CZ3 3.75Å; F673-W676 HydrophobicContact CE2-CZ3 3.75Å; F673-W676 PolarHBondContact O-N 2.87Å; F673-F677 AromaticContact CE1-CD2 3.79Å; F673-F677 HydrophobicContact CE1-CD2 3.79Å; F673-F677 HydrophobicContact CE1-CE2 4.31Å; F673-F677 HydrophobicContact CE2-CD2 4.41Å; F673-F677 AromaticContact CZ-CD2 3.66Å; F673-F677 HydrophobicContact CZ-CD2 3.66Å; F673-F677 HydrophobicContact CZ-CE2 4.06Å; F673-F677 VanDerWaalsContact O-CB 3.3Å; F673-F677 WeakPolarHBondContact O-CB 3.4Å; F673-F677 PolarHBondContact O-N 2.79Å; F673-W710 HydrophobicContact CB-CZ2 4.01Å; F673-W710 HydrophobicContact CD1-CH2 4.04Å; F673-W710 HydrophobicContact CD1-CZ2 4.3Å; F673-W710 AromaticContact CD2-CH2 3.7Å; F673-W710 HydrophobicContact CD2-CH2 3.7Å; F673-W710 AromaticContact CD2-CZ2 3.44Å; F673-W710 HydrophobicContact CD2-CZ2 3.44Å; F673-W710 VanDerWaalsContact CD2-CZ2 3.44Å; F673-W710 HydrophobicContact CE1-CH2 4.09Å; F673-W710 AromaticContact CE2-CH2 3.73Å; F673-W710 HydrophobicContact CE2-CH2 3.73Å; F673-W710 AromaticContact CE2-CZ2 3.91Å; F673-W710 HydrophobicContact CE2-CZ2 3.91Å; F673-W710 AromaticContact CG-CH2 3.84Å; F673-W710 HydrophobicContact CG-CH2 3.84Å; F673-W710 AromaticContact CG-CZ2 3.65Å; F673-W710 HydrophobicContact CG-CZ2 3.65Å; F673-W710 AromaticContact CZ-CH2 3.93Å; F673-W710 HydrophobicContact CZ-CH2 3.93Å
674	V	55.5	Low	48	Very low	50 Å²	50	100.2 Å²	100.2	30%	0.303	47%	0.469	S	S	.	.	H	α-helix	trans	-60.3	-43.2	176.1	173.6	0	0	0	0	110.5	I657 I670 F677 T678	I657-V674 HydrophobicContact CD1-CG2 4.23Å; I670-V674 HydrophobicContact CG2-CG2 4.27Å; I670-V674 WeakPolarHBondContact O-CG2 3.2Å; I670-V674 PolarHBondContact O-N 2.7Å; V674-F677 WeakPolarHBondContact O-CB 3.38Å; V674-F677 PolarHBondContact O-N 2.96Å; V674-T678 WeakPolarHBondContact O-CG2 3.31Å; V674-T678 PolarHBondContact O-N 2.91Å; V674-T678 PolarHBondContact O-OG1 2.79Å
675	N	54	Low	47.2	Very low	78 Å²	78	100 Å²	100	42%	0.417	47%	0.466	S	S	.	.	H	α-helix	trans	-61.4	-47.1	175.6	-75.9	-9.9	0	0	0	111	K671 Q672 F673 F677 T678 Y679	K671-N675 WeakPolarHBondContact O-CB 3.44Å; K671-N675 PolarHBondContact O-N 3.01Å; K671-N675 PolarHBondContact O-ND2 3.49Å; K671-N675 PolarHBondContact O-OD1 3.34Å; Q672-N675 PolarHBondContact O-N 3.31Å; F673-N675 VanDerWaalsContact C-N 3.32Å; F673-N675 PolarHBondContact O-N 3.34Å; N675-F677 VanDerWaalsContact C-N 3.33Å; N675-F677 PolarHBondContact O-N 2.88Å; N675-T678 WeakPolarHBondContact CA-OG1 3.39Å; N675-T678 PolarHBondContact O-N 2.9Å; N675-T678 PolarHBondContact O-OG1 3.14Å; N675-Y679 WeakPolarHBondContact O-CB 3.34Å; N675-Y679 PolarHBondContact O-N 2.95Å
676	W	53.5	Low	46.5	Very low	93 Å²	93	98.1 Å²	98.1	35%	0.352	46%	0.462	S	S	.	.	H	α-helix	trans	-59.9	-41.8	175.9	177.1	79.6	0	0	0	112.1	P643 Y644 Q672 F673 Y679 S680 I705	P643-W676 HydrophobicContact CB-CH2 4.22Å; P643-W676 HydrophobicContact CB-CZ3 4Å; P643-W676 HydrophobicContact CG-CE3 4.43Å; P643-W676 HydrophobicContact CG-CH2 3.29Å; P643-W676 HydrophobicContact CG-CZ2 4.32Å; P643-W676 HydrophobicContact CG-CZ3 3.38Å; Y644-W676 AromaticContact CE2-CH2 3.98Å; Y644-W676 HydrophobicContact CE2-CH2 3.98Å; Y644-W676 AromaticContact CE2-CZ2 3.85Å; Y644-W676 HydrophobicContact CE2-CZ2 3.85Å; Y644-W676 AromaticContact CZ-CZ2 3.88Å; Y644-W676 WeakPolarHBondContact OH-CZ2 3.26Å; Q672-W676 VanDerWaalsContact O-CB 3.22Å; Q672-W676 WeakPolarHBondContact O-CB 3.44Å; Q672-W676 PolarHBondContact O-N 3.01Å; F673-W676 AromaticContact CD2-CE3 3.94Å; F673-W676 HydrophobicContact CD2-CE3 3.94Å; F673-W676 HydrophobicContact CD2-CZ3 4.11Å; F673-W676 AromaticContact CE2-CE3 3.99Å; F673-W676 HydrophobicContact CE2-CE3 3.99Å; F673-W676 AromaticContact CE2-CZ3 3.75Å; F673-W676 HydrophobicContact CE2-CZ3 3.75Å; F673-W676 PolarHBondContact O-N 2.87Å; W676-Y679 PolarHBondContact O-N 2.85Å; W676-S680 PolarHBondContact O-N 3.29Å; W676-S680 VanDerWaalsContact O-N 3.14Å; W676-I705 HydrophobicContact CZ2-CD1 4.34Å
677	F	47.3	Very low	45.7	Very low	6 Å²	6	100.8 Å²	100.8	3%	0.026	48%	0.481	C	S	.	.	H	α-helix	trans	-65.6	-37.6	175.5	-151.3	-72.6	0	0	0	112.7	P643 L646 F655 F673 V674 N675 S680	P643-F677 HydrophobicContact CB-CD2 3.7Å; P643-F677 HydrophobicContact CB-CE2 3.67Å; P643-F677 HydrophobicContact CB-CG 4.3Å; P643-F677 HydrophobicContact CB-CZ 4.25Å; L646-F677 HydrophobicContact CD1-CE1 3.62Å; L646-F677 HydrophobicContact CD1-CE2 4.33Å; L646-F677 HydrophobicContact CD1-CZ 3.22Å; F655-F677 HydrophobicContact CD1-CE1 4.23Å; F655-F677 AromaticContact CE1-CD1 3.39Å; F655-F677 HydrophobicContact CE1-CD1 3.39Å; F655-F677 AromaticContact CE1-CE1 3.11Å; F655-F677 HydrophobicContact CE1-CE1 3.11Å; F655-F677 HydrophobicContact CE1-CG 4.23Å; F655-F677 AromaticContact CE1-CZ 3.74Å; F655-F677 HydrophobicContact CE1-CZ 3.74Å; F655-F677 HydrophobicContact CE2-CE1 4.5Å; F655-F677 HydrophobicContact CZ-CB 4.38Å; F655-F677 AromaticContact CZ-CD1 3.28Å; F655-F677 HydrophobicContact CZ-CD1 3.28Å; F655-F677 HydrophobicContact CZ-CD2 4.03Å; F655-F677 AromaticContact CZ-CE1 3.29Å; F655-F677 HydrophobicContact CZ-CE1 3.29Å; F655-F677 HydrophobicContact CZ-CE2 4.03Å; F655-F677 AromaticContact CZ-CG 3.65Å; F655-F677 HydrophobicContact CZ-CG 3.65Å; F655-F677 AromaticContact CZ-CZ 3.63Å; F655-F677 HydrophobicContact CZ-CZ 3.63Å; F673-F677 AromaticContact CE1-CD2 3.79Å; F673-F677 HydrophobicContact CE1-CD2 3.79Å; F673-F677 HydrophobicContact CE1-CE2 4.31Å; F673-F677 HydrophobicContact CE2-CD2 4.41Å; F673-F677 AromaticContact CZ-CD2 3.66Å; F673-F677 HydrophobicContact CZ-CD2 3.66Å; F673-F677 HydrophobicContact CZ-CE2 4.06Å; F673-F677 VanDerWaalsContact O-CB 3.3Å; F673-F677 WeakPolarHBondContact O-CB 3.4Å; F673-F677 PolarHBondContact O-N 2.79Å; V674-F677 WeakPolarHBondContact O-CB 3.38Å; V674-F677 PolarHBondContact O-N 2.96Å; N675-F677 VanDerWaalsContact C-N 3.33Å; N675-F677 PolarHBondContact O-N 2.88Å; F677-S680 PolarHBondContact O-OG 3.08Å
678	T	49.5	Very low	44.6	Very low	63 Å²	63	102.3 Å²	102.3	39%	0.387	49%	0.493	S	S	.	.	H	α-helix	trans	-75.7	-33.3	174.7	51.1	0	0	0	0	112.6	V674 N675 S680 K681 L682	V674-T678 WeakPolarHBondContact O-CG2 3.31Å; V674-T678 PolarHBondContact O-N 2.91Å; V674-T678 PolarHBondContact O-OG1 2.79Å; N675-T678 WeakPolarHBondContact CA-OG1 3.39Å; N675-T678 PolarHBondContact O-N 2.9Å; N675-T678 PolarHBondContact O-OG1 3.14Å; T678-S680 VanDerWaalsContact C-N 3.33Å; T678-S680 PolarHBondContact O-N 2.97Å; T678-K681 PolarHBondContact O-N 3.21Å; T678-L682 PolarHBondContact O-N 3.35Å
679	Y	44.5	Very low	43.6	Very low	195 Å²	195	106.7 Å²	106.7	77%	0.765	51%	0.506	S	S	*	.	H	α-helix	trans	-70.1	-30.4	179.9	-132.1	-90	0	0	0	112.2	N675 W676 K681	N675-Y679 WeakPolarHBondContact O-CB 3.34Å; N675-Y679 PolarHBondContact O-N 2.95Å; W676-Y679 PolarHBondContact O-N 2.85Å; Y679-K681 VanDerWaalsContact C-N 3.29Å; Y679-K681 PolarHBondContact O-N 3.17Å
680	S	46.5	Very low	42.5	Very low	47 Å²	47	115 Å²	115	33%	0.329	54%	0.538	S	S	.	.	H	α-helix	trans	-68.5	-27.6	173.3	66.9	0	0	0	0	112.7	W676 F677 T678	W676-S680 PolarHBondContact O-N 3.29Å; W676-S680 VanDerWaalsContact O-N 3.14Å; F677-S680 PolarHBondContact O-OG 3.08Å; T678-S680 VanDerWaalsContact C-N 3.33Å; T678-S680 PolarHBondContact O-N 2.97Å
681	K	40.5	Very low	41.3	Very low	74 Å²	74	120 Å²	120	32%	0.322	57%	0.565	S	S	.	*	H	α-helix	trans	-78.6	-25.5	178.7	-118.8	178.8	-179.1	-177.6	0	114.2	L653 T678 Y679 R683	L653-K681 PolarHBondContact O-NZ 3.31Å; T678-K681 PolarHBondContact O-N 3.21Å; Y679-K681 VanDerWaalsContact C-N 3.29Å; Y679-K681 PolarHBondContact O-N 3.17Å; K681-R683 PolarHBondContact O-N 2.66Å
682	L	35.1	Very low	40	Very low	129 Å²	129	122.2 Å²	122.2	68%	0.675	58%	0.577	S	S	*	*			trans	-96.8	70	-169.8	-82.4	154.2	0	0	0	112.8	T678	T678-L682 PolarHBondContact O-N 3.35Å
683	R	31.7	Very low	38.6	Very low	239 Å²	239	121.4 Å²	121.4	90%	0.902	59%	0.586	S	S	*	*	S	Bend	trans	-117.7	2.9	164.6	-131.8	-175.5	-164.1	-164.2	5.8	115.4	K681	K681-R683 PolarHBondContact O-N 2.66Å
684	K	30.2	Very low	37.4	Very low	194 Å²	194	129.9 Å²	129.9	84%	0.843	62%	0.622	S	S	*	*	S	Bend	trans	-151	122.7	173.4	-89.5	173.1	179.7	173.4	0	111.2
685	K	29.5	Very low	36	Very low	180 Å²	180	137 Å²	137	78%	0.783	65%	0.653	S	S	*	*			trans	81.5	112	164	-69.8	-179.5	170.6	-178.8	0	120.2
686	I	31.8	Very low	34.6	Very low	139 Å²	139	141.1 Å²	141.1	71%	0.713	67%	0.673	S	S	*	*				76.5	111.2	124.9	-60.2	170.7	0	0	0	118.3
687	T	29.6	Very low	33.3	Very low	108 Å²	108	143.8 Å²	143.8	66%	0.663	69%	0.693	S	S	*	*			trans	9.4	123.3	137.8	56.6	0	0	0	0	119.2
688	D	31.2	Very low	32.4	Very low	141 Å²	141	150.1 Å²	150.1	75%	0.754	73%	0.726	S	S	*	*				169.4	137.2	104	-85	-31.2	0	0	0	112.8
689	H	31.4	Very low	31.3	Very low	160 Å²	160	155.5 Å²	155.5	74%	0.741	75%	0.747	S	S	*	*			trans	33.2	115.6	160.7	-72.1	-68	0	0	0	121.1
690	F	29.1	Very low	30.5	Very low	221 Å²	221	153.1 Å²	153.1	97%	0.969	75%	0.747	S	S	*	*				-158.7	130	126.7	-109.4	-76.8	0	0	0	111.1
691	D	30.4	Very low	29.7	Very low	131 Å²	131	158 Å²	158	70%	0.701	77%	0.77	S	S	*	*			trans	-76.2	148.5	-165.2	-102.9	-28.9	0	0	0	116.4
692	E	28.8	Very low	29	Very low	170 Å²	170	162.2 Å²	162.2	79%	0.794	79%	0.794	S	S	*	*			trans	44.5	100.1	140.7	-61.8	-173.5	162.9	0	0	121.2
693	S	26.4	Very low	28.7	Very low	108 Å²	108	161.9 Å²	161.9	76%	0.755	80%	0.798	S	S	*	*	S	Bend		169.3	130.1	105.5	50	0	0	0	0	111.6
694	K	28.5	Very low	28.5	Very low	202 Å²	202	156.2 Å²	156.2	88%	0.878	79%	0.785	S	S	*	*			trans	81.1	87.3	178.6	-54.5	-177.2	179.9	179.3	0	116.3
695	Q	26.8	Very low	28.6	Very low	200 Å²	200	151.7 Å²	151.7	94%	0.935	77%	0.769	S	S	*	*			trans	-68.2	123.4	159.5	-76.4	-178.6	-12.2	0	0	110.4
696	L	25.1	Very low	28.9	Very low	163 Å²	163	151.5 Å²	151.5	85%	0.853	77%	0.771	S	S	*	*			trans	-114.2	123.6	164.9	-101.7	156.6	0	0	0	108.3
697	I	25.8	Very low	29.5	Very low	150 Å²	150	147 Å²	147	77%	0.769	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-76.6	120.3	-179.4	-61.8	164.9	0	0	0	108.5
698	I	27.6	Very low	30.6	Very low	138 Å²	138	143.5 Å²	143.5	71%	0.708	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-100.4	116.4	169	-60.1	175.9	0	0	0	108.2
699	Q	26.6	Very low	31.7	Very low	177 Å²	177	145.2 Å²	145.2	83%	0.827	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-83	127	170	-72.9	-177.4	-17.5	0	0	109.3	N701	Q699-N701 PolarHBondContact O-N 2.89Å
700	N	28.5	Very low	32.9	Very low	145 Å²	145	138.3 Å²	138.3	78%	0.775	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-67.9	117.7	173.4	-72	-16.6	0	0	0	110.9
701	N	28.1	Very low	34.3	Very low	150 Å²	150	128.6 Å²	128.6	80%	0.802	66%	0.663	S	S	*	*	S	Bend	trans	159.6	129.2	140.3	-80.6	-14.2	0	0	0	108.3	Q699	Q699-N701 PolarHBondContact O-N 2.89Å
702	L	26.3	Very low	35.7	Very low	161 Å²	161	125.6 Å²	125.6	84%	0.843	66%	0.656	S	S	*	*			trans	80.1	96.3	-179.2	-56.9	148.8	0	0	0	114.7
703	V	28.4	Very low	37.5	Very low	122 Å²	122	122.5 Å²	122.5	74%	0.739	64%	0.641	S	S	*	*			trans	-131.9	92.9	146.6	-168	0	0	0	0	106.5	I705	V703-I705 HydrophobicContact CB-CG1 4.33Å; V703-I705 HydrophobicContact CG1-CD1 4.27Å; V703-I705 HydrophobicContact CG1-CG1 3.39Å; V703-I705 PolarHBondContact O-N 2.78Å
704	D	28.1	Very low	39.7	Very low	120 Å²	120	120 Å²	120	64%	0.642	62%	0.623	S	S	*	*			trans	-66.3	112.8	149.2	-75	-39.6	0	0	0	105.4	E706	D704-E706 PolarHBondContact O-N 2.99Å
705	I	32.8	Very low	41.9	Very low	100 Å²	100	110.6 Å²	110.6	51%	0.513	58%	0.582	S	S	.	*			trans	-90.5	87.3	173.8	-56.3	174	0	0	0	106.3	W676 V703	W676-I705 HydrophobicContact CZ2-CD1 4.34Å; V703-I705 HydrophobicContact CB-CG1 4.33Å; V703-I705 HydrophobicContact CG1-CD1 4.27Å; V703-I705 HydrophobicContact CG1-CG1 3.39Å; V703-I705 PolarHBondContact O-N 2.78Å
706	E	36.1	Very low	44.4	Very low	176 Å²	176	102.1 Å²	102.1	82%	0.822	54%	0.544	S	S	*	.			trans	-54.5	136.1	149.1	-78.9	-179.4	158.4	0	0	107.6	D704 P708	D704-E706 PolarHBondContact O-N 2.99Å; E706-P708 VanDerWaalsContact O-CD 3.25Å; E706-P708 WeakPolarHBondContact O-CD 3.46Å
707	A	43.8	Very low	46.7	Very low	43 Å²	43	94.4 Å²	94.4	36%	0.355	50%	0.503	S	S	.	.			trans	-52	113.1	-178.4	0	0	0	0	0	109.6	L711 H742	A707-L711 HydrophobicContact CB-CD1 4.21Å; A707-H742 WeakPolarHBondContact CB-CD2 3.34Å; A707-H742 WeakPolarHBondContact CB-NE2 3.44Å
708	P	53.2	Low	49.2	Very low	36 Å²	36	89.5 Å²	89.5	23%	0.234	48%	0.477	C	S	.	.			trans	-70.2	144	-165.8	25.8	-35.8	0	0	0	111.2	E706 W710 L711	E706-P708 VanDerWaalsContact O-CD 3.25Å; E706-P708 WeakPolarHBondContact O-CD 3.46Å; P708-W710 VanDerWaalsContact CB-CD1 3.45Å; P708-W710 HydrophobicContact CB-CG 4.39Å; P708-W710 HydrophobicContact CG-CD2 4.28Å; P708-W710 HydrophobicContact CG-CG 4.42Å; P708-W710 HydrophobicContact CG-CZ2 3.7Å; P708-W710 PolarHBondContact O-N 3.34Å; P708-L711 HydrophobicContact CG-CD1 4.31Å; P708-L711 PolarHBondContact O-N 3.11Å
709	E	53.8	Low	51.4	Low	177 Å²	177	83 Å²	83	83%	0.827	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-48.1	-25.2	-176.2	-72.5	-179.3	157.6	0	0	114.6	L711 A712	E709-L711 VanDerWaalsContact C-N 3.26Å; E709-L711 PolarHBondContact O-N 3.45Å; E709-A712 WeakPolarHBondContact O-CB 3.41Å; E709-A712 PolarHBondContact O-N 3.08Å; E709-A712 VanDerWaalsContact O-N 3.16Å
710	W	56.7	Low	53.5	Low	15 Å²	15	77 Å²	77	6%	0.057	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-69.1	-18.7	178.6	63.1	-98.6	0	0	0	114.3	L666 F673 P708 A712 Q713 L715	L666-W710 HydrophobicContact CD2-CB 3.98Å; L666-W710 HydrophobicContact CG-CB 4.37Å; F673-W710 HydrophobicContact CB-CZ2 4.01Å; F673-W710 HydrophobicContact CD1-CH2 4.04Å; F673-W710 HydrophobicContact CD1-CZ2 4.3Å; F673-W710 AromaticContact CD2-CH2 3.7Å; F673-W710 HydrophobicContact CD2-CH2 3.7Å; F673-W710 AromaticContact CD2-CZ2 3.44Å; F673-W710 HydrophobicContact CD2-CZ2 3.44Å; F673-W710 VanDerWaalsContact CD2-CZ2 3.44Å; F673-W710 HydrophobicContact CE1-CH2 4.09Å; F673-W710 AromaticContact CE2-CH2 3.73Å; F673-W710 HydrophobicContact CE2-CH2 3.73Å; F673-W710 AromaticContact CE2-CZ2 3.91Å; F673-W710 HydrophobicContact CE2-CZ2 3.91Å; F673-W710 AromaticContact CG-CH2 3.84Å; F673-W710 HydrophobicContact CG-CH2 3.84Å; F673-W710 AromaticContact CG-CZ2 3.65Å; F673-W710 HydrophobicContact CG-CZ2 3.65Å; F673-W710 AromaticContact CZ-CH2 3.93Å; F673-W710 HydrophobicContact CZ-CH2 3.93Å; P708-W710 VanDerWaalsContact CB-CD1 3.45Å; P708-W710 HydrophobicContact CB-CG 4.39Å; P708-W710 HydrophobicContact CG-CD2 4.28Å; P708-W710 HydrophobicContact CG-CG 4.42Å; P708-W710 HydrophobicContact CG-CZ2 3.7Å; P708-W710 PolarHBondContact O-N 3.34Å; W710-A712 PolarHBondContact O-N 3.47Å; W710-Q713 PolarHBondContact O-N 3.2Å; W710-L715 HydrophobicContact CE3-CD1 3.95Å; W710-L715 HydrophobicContact CZ3-CD1 3.55Å
711	L	59.7	Low	55.5	Low	17 Å²	17	70.5 Å²	70.5	9%	0.089	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-68.4	-12.4	171.7	-74.8	170.3	0	0	0	112.6	G638 F640 A707 P708 E709 Q713	G638-L711 PolarHBondContact N-O 3.11Å; F640-L711 HydrophobicContact CB-CD2 3.75Å; F640-L711 HydrophobicContact CD1-CD1 4.25Å; F640-L711 HydrophobicContact CD1-CD2 3.86Å; F640-L711 HydrophobicContact CE1-CD1 4.48Å; F640-L711 HydrophobicContact CG-CD2 4.05Å; A707-L711 HydrophobicContact CB-CD1 4.21Å; P708-L711 HydrophobicContact CG-CD1 4.31Å; P708-L711 PolarHBondContact O-N 3.11Å; E709-L711 VanDerWaalsContact C-N 3.26Å; E709-L711 PolarHBondContact O-N 3.45Å; L711-Q713 PolarHBondContact O-N 3.13Å
712	A	58.6	Low	57.2	Low	67 Å²	67	66.6 Å²	66.6	55%	0.554	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-70.7	-5.2	176.7	0	0	0	0	0	114	S637 E709 W710	S637-A712 WeakPolarHBondContact CB-O 3.48Å; E709-A712 WeakPolarHBondContact O-CB 3.41Å; E709-A712 PolarHBondContact O-N 3.08Å; E709-A712 VanDerWaalsContact O-N 3.16Å; W710-A712 PolarHBondContact O-N 3.47Å
713	Q	67.5	Low	58.7	Low	105 Å²	105	62.5 Å²	62.5	49%	0.491	34%	0.338	S	S	.	.	S	Bend	trans	-121.6	149.7	-177	-66.1	-67.3	-33.8	0	0	110.7	W710 L711	W710-Q713 PolarHBondContact O-N 3.2Å; L711-Q713 PolarHBondContact O-N 3.13Å
714	P	72.2	Confident	59.9	Low	57 Å²	57	57.2 Å²	57.2	37%	0.37	31%	0.305	S	S	.	.			trans	-65.6	144.6	177.7	27	-33.8	0	0	0	112	L635	L635-P714 CarbonylContact O-C 3.46Å; L635-P714 VanDerWaalsContact O-CA 3.31Å; L635-P714 WeakPolarHBondContact O-CA 3.44Å; L635-P714 WeakPolarHBondContact O-CB 3.26Å
715	L	74	Confident	61.1	Low	4 Å²	4	55 Å²	55	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.3	-176.2	-65.5	165.9	0	0	0	110.9	L635 I657 Q659 W710 F717	L635-L715 PolarHBondContact N-O 3.11Å; L635-L715 PolarHBondContact O-N 3.28Å; I657-L715 HydrophobicContact CG2-CD2 3.9Å; Q659-L715 HydrophobicContact CB-CD2 4.34Å; Q659-L715 HydrophobicContact CG-CD2 4.17Å; W710-L715 HydrophobicContact CE3-CD1 3.95Å; W710-L715 HydrophobicContact CZ3-CD1 3.55Å; L715-F717 HydrophobicContact CB-CD2 4.49Å; L715-F717 HydrophobicContact CB-CE2 4.04Å; L715-F717 HydrophobicContact CD1-CE2 4.41Å
716	T	79.1	Confident	62.2	Low	22 Å²	22	52.1 Å²	52.1	14%	0.135	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.2	171.8	-54.8	0	0	0	0	109.9	L633 H634 I657 I658	L633-T716 WeakPolarHBondContact O-CA 3.49Å; H634-T716 WeakPolarHBondContact CE1-CG2 3.48Å; H634-T716 PolarHBondContact CE1-OG1 3.5Å; H634-T716 WeakPolarHBondContact ND1-CG2 3.38Å; H634-T716 PolarHBondContact ND1-OG1 3.19Å; I657-T716 WeakPolarHBondContact CA-O 3.03Å; I658-T716 PolarHBondContact N-O 3.38Å; I658-T716 PolarHBondContact O-N 3.42Å
717	F	74.2	Confident	63	Low	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.7	173.1	-72.2	-99.1	0	0	0	109.6	H632 L633 L635 I641 F655 I657 L715 F719	H632-F717 CarbonylContact C-O 3.6Å; H632-F717 WeakPolarHBondContact CA-O 3.18Å; L633-F717 HydrophobicContact CB-CB 4.34Å; L633-F717 PolarHBondContact N-O 2.91Å; L633-F717 PolarHBondContact O-N 3Å; L635-F717 HydrophobicContact CD1-CD2 3.88Å; L635-F717 HydrophobicContact CD1-CE2 3.75Å; L635-F717 HydrophobicContact CG-CD2 4.5Å; I641-F717 HydrophobicContact CB-CE1 4.44Å; I641-F717 HydrophobicContact CB-CZ 4.45Å; I641-F717 HydrophobicContact CD1-CB 4.1Å; I641-F717 HydrophobicContact CD1-CD1 3.5Å; I641-F717 HydrophobicContact CD1-CD2 3.9Å; I641-F717 HydrophobicContact CD1-CE1 3.81Å; I641-F717 HydrophobicContact CD1-CE2 4.2Å; I641-F717 HydrophobicContact CD1-CG 3.55Å; I641-F717 HydrophobicContact CD1-CZ 4.16Å; I641-F717 HydrophobicContact CG1-CD1 4.2Å; I641-F717 HydrophobicContact CG1-CD2 4.15Å; I641-F717 HydrophobicContact CG1-CE1 4.03Å; I641-F717 HydrophobicContact CG1-CE2 4.01Å; I641-F717 HydrophobicContact CG1-CG 4.26Å; I641-F717 HydrophobicContact CG1-CZ 3.94Å; F655-F717 AromaticContact CD2-CD1 3.71Å; F655-F717 HydrophobicContact CD2-CD1 3.71Å; F655-F717 HydrophobicContact CD2-CE1 4.04Å; F655-F717 HydrophobicContact CE2-CD1 4.14Å; F655-F717 AromaticContact CE2-CE1 3.99Å; F655-F717 HydrophobicContact CE2-CE1 3.99Å; F655-F717 HydrophobicContact CG-CD1 4.44Å; I657-F717 HydrophobicContact CD1-CE1 3.82Å; I657-F717 HydrophobicContact CD1-CZ 4.14Å; I657-F717 HydrophobicContact CG1-CD1 4.01Å; I657-F717 HydrophobicContact CG1-CE1 3.76Å; I657-F717 HydrophobicContact CG1-CZ 4.29Å; L715-F717 HydrophobicContact CB-CD2 4.49Å; L715-F717 HydrophobicContact CB-CE2 4.04Å; L715-F717 HydrophobicContact CD1-CE2 4.41Å; F717-F719 HydrophobicContact CB-CD2 4.5Å; F717-F719 HydrophobicContact CB-CE2 3.77Å; F717-F719 HydrophobicContact CB-CZ 4.09Å
718	K	77.9	Confident	63.5	Low	47 Å²	47	57.1 Å²	57.1	20%	0.204	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.2	173.4	-60.1	-176.3	171.4	-176.2	0	109.7	L631 H632 F655 S656 I658	L631-K718 CarbonylContact O-C 3.44Å; L631-K718 WeakPolarHBondContact O-CA 3.2Å; H632-K718 VanDerWaalsContact CE1-CE 3.4Å; H632-K718 WeakPolarHBondContact CE1-CE 3.16Å; F655-K718 CarbonylContact C-O 3.44Å; F655-K718 WeakPolarHBondContact CA-O 3.46Å; F655-K718 WeakPolarHBondContact CB-O 3.38Å; S656-K718 PolarHBondContact N-O 2.85Å; S656-K718 PolarHBondContact O-N 3.36Å; I658-K718 HydrophobicContact CD1-CD 3.93Å; I658-K718 HydrophobicContact CG1-CD 4.46Å
719	F	73.7	Confident	63.3	Low	3 Å²	3	60.5 Å²	60.5	1%	0.013	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.2	176	-57.6	-87.6	0	0	0	110.4	Q630 L631 L633 I641 L653 F655 F717 I737	Q630-F719 CarbonylContact C-O 3.47Å; Q630-F719 VanDerWaalsContact CA-O 3.26Å; Q630-F719 WeakPolarHBondContact CA-O 3.46Å; L631-F719 HydrophobicContact CB-CB 4.24Å; L631-F719 HydrophobicContact CB-CD2 4.45Å; L631-F719 HydrophobicContact CD2-CD2 4.36Å; L631-F719 PolarHBondContact N-O 2.86Å; L631-F719 PolarHBondContact O-N 3.13Å; L633-F719 HydrophobicContact CB-CE2 4.27Å; I641-F719 HydrophobicContact CD1-CE1 4.43Å; I641-F719 HydrophobicContact CD1-CE2 4.17Å; I641-F719 HydrophobicContact CD1-CZ 3.46Å; I641-F719 VanDerWaalsContact CD1-CZ 3.46Å; L653-F719 HydrophobicContact CB-CD1 4.39Å; L653-F719 HydrophobicContact CD2-CB 4.2Å; L653-F719 HydrophobicContact CD2-CD1 3.79Å; L653-F719 HydrophobicContact CD2-CG 4.33Å; F655-F719 HydrophobicContact CB-CD1 3.68Å; F655-F719 HydrophobicContact CB-CE1 3.84Å; F655-F719 HydrophobicContact CB-CG 4.37Å; F655-F719 HydrophobicContact CG-CE1 4.31Å; F717-F719 HydrophobicContact CB-CD2 4.5Å; F717-F719 HydrophobicContact CB-CE2 3.77Å; F717-F719 HydrophobicContact CB-CZ 4.09Å; F719-I737 HydrophobicContact CE2-CD1 4.01Å; F719-I737 HydrophobicContact CZ-CD1 4.21Å
720	N	71.6	Confident	63.4	Low	50 Å²	50	55.1 Å²	55.1	27%	0.267	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.7	172	-68.4	-29.1	0	0	0	109.3	Q630 K654 D722	Q630-N720 WeakPolarHBondContact CG-OD1 3.48Å; Q630-N720 PolarHBondContact NE2-OD1 2.81Å; Q630-N720 VanDerWaalsContact NE2-OD1 3.11Å; K654-N720 PolarHBondContact O-N 3.2Å; N720-D722 VanDerWaalsContact C-N 3.34Å
721	I	70.7	Confident	63.4	Low	8 Å²	8	58 Å²	58	4%	0.041	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-74.6	-28.1	-175.7	-61.3	-178.8	0	0	0	111.1	F618 L626 C629 Q723 L724 L766	F618-I721 HydrophobicContact CE1-CD1 4.12Å; F618-I721 HydrophobicContact CZ-CD1 3.86Å; L626-I721 HydrophobicContact CB-CG2 3.95Å; L626-I721 HydrophobicContact CD1-CG2 4.48Å; L626-I721 HydrophobicContact CD2-CD1 4.35Å; L626-I721 HydrophobicContact CD2-CG2 4.49Å; C629-I721 HydrophobicContact CB-CD1 3.97Å; C629-I721 WeakPolarHBondContact O-CG1 3.45Å; C629-I721 PolarHBondContact O-N 2.85Å; C629-I721 VanDerWaalsContact O-N 3.08Å; I721-Q723 PolarHBondContact O-N 2.84Å; I721-L724 HydrophobicContact CB-CD1 4.09Å; I721-L724 HydrophobicContact CG1-CD1 4.43Å; I721-L724 HydrophobicContact CG2-CD1 3.62Å; I721-L724 VanDerWaalsContact O-CB 3.29Å; I721-L724 WeakPolarHBondContact O-CB 3.28Å; I721-L724 WeakPolarHBondContact O-CD1 3.41Å; I721-L724 VanDerWaalsContact O-CG 3.26Å; I721-L724 WeakPolarHBondContact O-CG 3.39Å; I721-L724 PolarHBondContact O-N 3.36Å; I721-L766 HydrophobicContact CD1-CD1 3.42Å; I721-L766 VanDerWaalsContact CD1-CD1 3.42Å
722	D	62.6	Low	63.6	Low	68 Å²	68	62.3 Å²	62.3	36%	0.364	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-58.5	-16.1	-176.2	-54.3	11	0	0	0	115.4	H628 N720	H628-D722 WeakPolarHBondContact CA-OD1 3.31Å; H628-D722 WeakPolarHBondContact CA-OD2 3.29Å; H628-D722 IonicContact CE1-OD2 3.81Å; H628-D722 IonicContact CG-OD2 3.43Å; H628-D722 PolarHBondContact N-OD1 2.82Å; H628-D722 PolarHBondContact N-OD2 3.26Å; H628-D722 IonicContact ND1-OD2 3.99Å; H628-D722 PolarHBondContact ND1-OD2 2.82Å; N720-D722 VanDerWaalsContact C-N 3.34Å
723	Q	57.8	Low	64	Low	75 Å²	75	60.2 Å²	60.2	35%	0.35	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-107.3	2	-175.3	-62.3	-178.5	8.4	0	0	112.6	I721 G725	I721-Q723 PolarHBondContact O-N 2.84Å; Q723-G725 PolarHBondContact O-N 2.7Å
724	L	54.5	Low	64.2	Low	11 Å²	11	57.6 Å²	57.6	6%	0.058	32%	0.323	C	S	.	.	S	Bend	trans	-71.6	105.6	165.9	-59	161.9	0	0	0	105.8	P651 L653 I721 I726 L733 L735	P651-L724 HydrophobicContact CB-CB 4.2Å; P651-L724 HydrophobicContact CB-CD2 3.69Å; P651-L724 HydrophobicContact CG-CB 4.33Å; P651-L724 HydrophobicContact CG-CD2 3.22Å; P651-L724 HydrophobicContact CG-CG 4.37Å; L653-L724 HydrophobicContact CD2-CD2 3.65Å; L653-L724 HydrophobicContact CD2-CG 4.48Å; L653-L724 HydrophobicContact CG-CD2 3.9Å; I721-L724 HydrophobicContact CB-CD1 4.09Å; I721-L724 HydrophobicContact CG1-CD1 4.43Å; I721-L724 HydrophobicContact CG2-CD1 3.62Å; I721-L724 VanDerWaalsContact O-CB 3.29Å; I721-L724 WeakPolarHBondContact O-CB 3.28Å; I721-L724 WeakPolarHBondContact O-CD1 3.41Å; I721-L724 VanDerWaalsContact O-CG 3.26Å; I721-L724 WeakPolarHBondContact O-CG 3.39Å; I721-L724 PolarHBondContact O-N 3.36Å; L724-I726 HydrophobicContact CB-CD1 3.58Å; L724-I726 HydrophobicContact CB-CG1 3.74Å; L724-I726 HydrophobicContact CD1-CD1 4.28Å; L724-I726 WeakPolarHBondContact O-CG1 3.45Å; L724-I726 PolarHBondContact O-N 2.54Å; L724-L733 HydrophobicContact CD1-CD2 4.02Å; L724-L735 HydrophobicContact CD1-CD1 4.37Å; L724-L735 HydrophobicContact CD2-CD1 3.64Å
725	G	52.3	Low	64.1	Low	73 Å²	73	55 Å²	55	75%	0.753	31%	0.307	S	S	*	.			trans	-66.6	61.1	-178.2	0	0	0	0	0	113.3	Q723	Q723-G725 PolarHBondContact O-N 2.7Å
726	I	55.6	Low	64.1	Low	40 Å²	40	56.1 Å²	56.1	21%	0.205	31%	0.314	C	S	.	.			trans	-79	128.8	-172.5	-61.5	161	0	0	0	108.2	I623 L724 K728 T730 L733	I623-I726 HydrophobicContact CD1-CB 4.5Å; I623-I726 HydrophobicContact CD1-CG2 3.78Å; I623-I726 HydrophobicContact CG1-CG2 4.29Å; L724-I726 HydrophobicContact CB-CD1 3.58Å; L724-I726 HydrophobicContact CB-CG1 3.74Å; L724-I726 HydrophobicContact CD1-CD1 4.28Å; L724-I726 WeakPolarHBondContact O-CG1 3.45Å; L724-I726 PolarHBondContact O-N 2.54Å; I726-K728 PolarHBondContact O-N 3.02Å; I726-T730 WeakPolarHBondContact CG2-OG1 3.34Å; I726-L733 HydrophobicContact CD1-CD1 3.71Å; I726-L733 HydrophobicContact CD1-CD2 3.66Å; I726-L733 HydrophobicContact CD1-CG 4.24Å; I726-L733 HydrophobicContact CG1-CD1 3.94Å
727	N	54.1	Low	63.8	Low	121 Å²	121	55.2 Å²	55.2	65%	0.647	31%	0.308	S	S	*	.			trans	-60.8	134.8	170.7	-85.2	-21.3	0	0	0	109.4	I623 S729 T730	I623-N727 WeakPolarHBondContact CD1-O 3.39Å; N727-S729 PolarHBondContact O-N 3.44Å; N727-T730 PolarHBondContact O-N 2.73Å; N727-T730 PolarHBondContact O-OG1 3.15Å; N727-T730 VanDerWaalsContact O-OG1 3.1Å
728	K	52.9	Low	63.9	Low	203 Å²	203	55.6 Å²	55.6	88%	0.883	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-3.2	-178	-71.9	-176.5	175.2	-177.2	0	115.6	I726	I726-K728 PolarHBondContact O-N 3.02Å
729	S	49.9	Very low	63.8	Low	107 Å²	107	53.4 Å²	53.4	75%	0.748	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-4.5	-174.2	53	0	0	0	0	115.2	N727	N727-S729 PolarHBondContact O-N 3.44Å
730	T	55.6	Low	63.8	Low	65 Å²	65	57.7 Å²	57.7	40%	0.399	32%	0.317	S	S	.	.			trans	-92.2	115.6	-178.3	45.8	0	0	0	0	111.5	I726 N727 Y732	I726-T730 WeakPolarHBondContact CG2-OG1 3.34Å; N727-T730 PolarHBondContact O-N 2.73Å; N727-T730 PolarHBondContact O-OG1 3.15Å; N727-T730 VanDerWaalsContact O-OG1 3.1Å; T730-Y732 PolarHBondContact O-N 3.03Å
731	S	57.7	Low	63.7	Low	76 Å²	76	56.1 Å²	56.1	53%	0.531	31%	0.307	S	S	.	.	S	Bend	trans	-79.1	0.7	173.9	53.3	0	0	0	0	114.2	D620	D620-S731 PolarHBondContact N-O 2.94Å
732	Y	64.1	Low	63.3	Low	106 Å²	106	60 Å²	60	42%	0.416	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	135	-176.2	173	-111.2	0	0	0	109.7	D617 F618 H619 T730 D734	D617-Y732 HydrophobicContact CB-CE2 4.06Å; D617-Y732 WeakPolarHBondContact OD1-CE2 3.45Å; D617-Y732 PolarHBondContact OD1-OH 2.73Å; F618-Y732 WeakPolarHBondContact O-CA 3.45Å; H619-Y732 AromaticContact CE1-CD2 3.32Å; H619-Y732 WeakPolarHBondContact CE1-CD2 3.09Å; H619-Y732 AromaticContact CE1-CE2 3.44Å; H619-Y732 VanDerWaalsContact CE1-CE2 3.44Å; H619-Y732 WeakPolarHBondContact CE1-CE2 3.47Å; H619-Y732 AromaticContact ND1-CD2 3.61Å; H619-Y732 AromaticContact NE2-CD2 3.65Å; H619-Y732 AromaticContact NE2-CE2 3.4Å; H619-Y732 WeakPolarHBondContact NE2-CE2 3.44Å; T730-Y732 PolarHBondContact O-N 3.03Å; Y732-D734 HydrophobicContact CE1-CB 4.09Å; Y732-D734 WeakPolarHBondContact OH-CB 3.1Å
733	L	67.1	Low	63	Low	23 Å²	23	59.7 Å²	59.7	12%	0.12	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.7	173.5	172.7	75.3	0	0	0	108.4	F618 L724 I726	F618-L733 HydrophobicContact CB-CB 4.18Å; F618-L733 HydrophobicContact CD2-CB 4.29Å; F618-L733 HydrophobicContact CD2-CD2 3.76Å; F618-L733 HydrophobicContact CD2-CG 4.13Å; F618-L733 HydrophobicContact CE2-CD2 4.13Å; F618-L733 HydrophobicContact CG-CD2 4.34Å; F618-L733 PolarHBondContact N-O 3.04Å; F618-L733 PolarHBondContact O-N 3.35Å; F618-L733 VanDerWaalsContact O-N 3.09Å; L724-L733 HydrophobicContact CD1-CD2 4.02Å; I726-L733 HydrophobicContact CD1-CD1 3.71Å; I726-L733 HydrophobicContact CD1-CD2 3.66Å; I726-L733 HydrophobicContact CD1-CG 4.24Å; I726-L733 HydrophobicContact CG1-CD1 3.94Å
734	D	70	Confident	62.6	Low	50 Å²	50	59.2 Å²	59.2	27%	0.267	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.9	166.3	-177	8.8	0	0	0	108.8	H615 Y732 P736	H615-D734 IonicContact CE1-OD2 3.3Å; H615-D734 IonicContact CG-OD1 2.6Å; H615-D734 IonicContact ND1-OD1 2.7Å; H615-D734 PolarHBondContact ND1-OD1 3.13Å; H615-D734 IonicContact ND1-OD2 3.33Å; H615-D734 PolarHBondContact ND1-OD2 3.44Å; Y732-D734 HydrophobicContact CE1-CB 4.09Å; Y732-D734 WeakPolarHBondContact OH-CB 3.1Å; D734-P736 WeakPolarHBondContact O-CD 3.45Å
735	L	71.7	Confident	62.2	Low	4 Å²	4	64.7 Å²	64.7	2%	0.021	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	92.2	170.3	-159.4	83.2	0	0	0	109.7	C616 L631 P651 L653 L724 I737	C616-L735 HydrophobicContact CB-CB 4.14Å; C616-L735 PolarHBondContact N-O 2.91Å; C616-L735 VanDerWaalsContact N-O 3.14Å; C616-L735 PolarHBondContact O-N 3.19Å; L631-L735 HydrophobicContact CD2-CD2 4.17Å; P651-L735 HydrophobicContact CG-CD1 4.45Å; L653-L735 HydrophobicContact CD1-CD1 3.98Å; L653-L735 HydrophobicContact CD1-CD2 4.37Å; L653-L735 HydrophobicContact CD1-CG 4.34Å; L653-L735 HydrophobicContact CD2-CD1 3.97Å; L653-L735 HydrophobicContact CD2-CD2 3.93Å; L653-L735 HydrophobicContact CD2-CG 4.49Å; L653-L735 HydrophobicContact CG-CD1 4.23Å; L724-L735 HydrophobicContact CD1-CD1 4.37Å; L724-L735 HydrophobicContact CD2-CD1 3.64Å; L735-I737 HydrophobicContact CD2-CD1 4.14Å; L735-I737 HydrophobicContact CD2-CG1 4.33Å; L735-I737 PolarHBondContact O-N 3.13Å
736	P	72.3	Confident	61.8	Low	27 Å²	27	66.4 Å²	66.4	18%	0.175	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	131.6	174.1	19.6	-21.1	0	0	0	109.6	L614 Q650 D734	L614-P736 CarbonylContact O-C 2.98Å; L614-P736 WeakPolarHBondContact O-CA 3.2Å; Q650-P736 VanDerWaalsContact CD-O 3.23Å; Q650-P736 HydrophobicContact CG-CG 4.44Å; Q650-P736 PolarHBondContact NE2-O 2.64Å; Q650-P736 PolarHBondContact OE1-O 3.03Å; D734-P736 WeakPolarHBondContact O-CD 3.45Å
737	I	74.5	Confident	61	Low	2 Å²	2	73.7 Å²	73.7	1%	0.01	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.7	174.8	-61.5	172.3	0	0	0	107.4	L614 L631 L633 I641 F719 L735 L739	L614-I737 HydrophobicContact CB-CB 4.25Å; L614-I737 HydrophobicContact CD2-CB 4.45Å; L614-I737 HydrophobicContact CD2-CD1 4.23Å; L614-I737 PolarHBondContact N-O 3.41Å; L614-I737 PolarHBondContact O-N 3.02Å; L631-I737 HydrophobicContact CD2-CD1 4.22Å; L633-I737 HydrophobicContact CD2-CD1 4.49Å; L633-I737 HydrophobicContact CD2-CG2 4.17Å; I641-I737 HydrophobicContact CD1-CG2 4.06Å; I641-I737 HydrophobicContact CG1-CG2 4.38Å; I641-I737 HydrophobicContact CG2-CG2 4.14Å; F719-I737 HydrophobicContact CE2-CD1 4.01Å; F719-I737 HydrophobicContact CZ-CD1 4.21Å; L735-I737 HydrophobicContact CD2-CD1 4.14Å; L735-I737 HydrophobicContact CD2-CG1 4.33Å; L735-I737 PolarHBondContact O-N 3.13Å; I737-L739 HydrophobicContact CG2-CD2 4.14Å; I737-L739 HydrophobicContact CG2-CG 4.33Å
738	H	76.5	Confident	60.4	Low	9 Å²	9	73.3 Å²	73.3	4%	0.042	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.2	177.4	-77.4	-103.6	0	0	0	110	R613 I641 D642 E645	R613-H738 VanDerWaalsContact CZ-NE2 3.35Å; R613-H738 PolarHBondContact NE-CE1 3.43Å; R613-H738 PolarHBondContact NE-NE2 3.1Å; R613-H738 PolarHBondContact NH2-CE1 3.3Å; R613-H738 PolarHBondContact NH2-NE2 2.98Å; I641-H738 CarbonylContact C-O 3.58Å; I641-H738 WeakPolarHBondContact CA-O 3.33Å; I641-H738 WeakPolarHBondContact CG2-O 3.21Å; D642-H738 HydrophobicContact CB-CB 4Å; D642-H738 PolarHBondContact N-O 3.19Å; E645-H738 HydrophobicContact CB-CB 3.93Å; E645-H738 IonicContact OE1-CE1 2.76Å; E645-H738 PolarHBondContact OE1-CE1 3.48Å; E645-H738 IonicContact OE1-CG 3.75Å; E645-H738 IonicContact OE1-ND1 3.07Å; E645-H738 PolarHBondContact OE1-ND1 3.03Å; E645-H738 IonicContact OE2-CD2 3.14Å; E645-H738 IonicContact OE2-CE1 2.97Å; E645-H738 PolarHBondContact OE2-CE1 3.05Å; E645-H738 IonicContact OE2-CG 3.16Å; E645-H738 IonicContact OE2-ND1 2.67Å; E645-H738 PolarHBondContact OE2-ND1 3.1Å; E645-H738 IonicContact OE2-NE2 2.72Å; E645-H738 PolarHBondContact OE2-NE2 3.17Å
739	L	74.5	Confident	59.4	Low	0 Å²	0	70.5 Å²	70.5	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.2	178.6	-63.6	175.1	0	0	0	109.6	M605 L612 L614 L633 L635 F640 I641 I737 I761	M605-L739 HydrophobicContact SD-CD1 3.97Å; L612-L739 HydrophobicContact CB-CB 3.78Å; L612-L739 PolarHBondContact N-O 3.06Å; L612-L739 PolarHBondContact O-N 3.31Å; L614-L739 HydrophobicContact CB-CD1 4.45Å; L633-L739 HydrophobicContact CD2-CD2 4.03Å; L635-L739 HydrophobicContact CD1-CD2 3.65Å; L635-L739 HydrophobicContact CD2-CD1 3.88Å; L635-L739 HydrophobicContact CD2-CD2 3.76Å; L635-L739 HydrophobicContact CD2-CG 4.46Å; L635-L739 HydrophobicContact CG-CD2 4.35Å; F640-L739 CarbonylContact O-C 3.54Å; F640-L739 WeakPolarHBondContact O-CA 3.41Å; I641-L739 HydrophobicContact CG1-CD2 3.75Å; I737-L739 HydrophobicContact CG2-CD2 4.14Å; I737-L739 HydrophobicContact CG2-CG 4.33Å; L739-I761 HydrophobicContact CD1-CD1 4.48Å
740	R	73.4	Confident	58.9	Low	94 Å²	94	72.3 Å²	72.3	36%	0.355	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	158.7	168.6	-70	-171	-172.4	-160.5	3.9	108.9	F639 F640 D642	F639-R740 CarbonylContact C-O 3.57Å; F639-R740 WeakPolarHBondContact CA-O 3.46Å; F640-R740 HydrophobicContact CD1-CB 4.41Å; F640-R740 HydrophobicContact CD2-CB 4.29Å; F640-R740 HydrophobicContact CE1-CB 3.85Å; F640-R740 HydrophobicContact CE2-CB 3.72Å; F640-R740 HydrophobicContact CE2-CG 4.39Å; F640-R740 HydrophobicContact CZ-CB 3.48Å; F640-R740 VanDerWaalsContact CZ-CB 3.48Å; F640-R740 HydrophobicContact CZ-CG 4.39Å; F640-R740 PolarHBondContact N-O 3.36Å; F640-R740 PolarHBondContact O-N 3.23Å; D642-R740 HydrophobicContact CB-CG 4.31Å; D642-R740 IonicContact OD2-CZ 3.52Å; D642-R740 IonicContact OD2-NE 2.75Å; D642-R740 PolarHBondContact OD2-NE 3.45Å; D642-R740 IonicContact OD2-NH2 3.66Å; D642-R740 PolarHBondContact OD2-NH2 2.66Å
741	Y	69	Low	58	Low	17 Å²	17	75.4 Å²	75.4	7%	0.067	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.9	173.9	59.1	-89.2	0	0	0	111.7	G609 F610 L612 G638 F639 L743 V787	G609-Y741 PolarHBondContact O-OH 3.08Å; F610-Y741 HydrophobicContact CB-CE1 4.33Å; F610-Y741 HydrophobicContact CD1-CE1 4.32Å; F610-Y741 AromaticContact CD1-CE2 3.66Å; F610-Y741 HydrophobicContact CD1-CE2 3.66Å; F610-Y741 AromaticContact CD1-CZ 3.5Å; F610-Y741 VanDerWaalsContact CD1-OH 3.26Å; F610-Y741 WeakPolarHBondContact CD1-OH 3.31Å; F610-Y741 HydrophobicContact CE1-CE2 4.15Å; L612-Y741 HydrophobicContact CD1-CD1 3.63Å; L612-Y741 HydrophobicContact CD1-CE1 4.02Å; G638-Y741 CarbonylContact O-C 3.56Å; G638-Y741 VanDerWaalsContact O-CA 3.22Å; G638-Y741 WeakPolarHBondContact O-CA 3.25Å; F639-Y741 HydrophobicContact CE1-CD1 4.01Å; F639-Y741 HydrophobicContact CE1-CG 4.05Å; F639-Y741 HydrophobicContact CZ-CD1 4.37Å; F639-Y741 HydrophobicContact CZ-CG 4.07Å; Y741-L743 HydrophobicContact CD2-CD1 4.27Å; Y741-L743 HydrophobicContact CE2-CD1 4.05Å; Y741-V787 HydrophobicContact CD2-CG1 4.22Å; Y741-V787 HydrophobicContact CD2-CG2 4.41Å; Y741-V787 HydrophobicContact CE2-CB 4.46Å; Y741-V787 HydrophobicContact CE2-CG1 3.47Å; Y741-V787 VanDerWaalsContact CE2-CG1 3.47Å; Y741-V787 HydrophobicContact CE2-CG2 4.14Å
742	H	62.6	Low	57.1	Low	88 Å²	88	78.8 Å²	78.8	41%	0.407	42%	0.421	S	S	.	.			trans	-121.8	123.5	169.5	-163.5	-67.9	0	0	0	108.1	G638 A707	G638-H742 WeakPolarHBondContact CA-O 3.35Å; G638-H742 PolarHBondContact O-N 3.11Å; A707-H742 WeakPolarHBondContact CB-CD2 3.34Å; A707-H742 WeakPolarHBondContact CB-NE2 3.44Å
743	L	56.8	Low	56.1	Low	63 Å²	63	77.8 Å²	77.8	33%	0.33	44%	0.443	S	S	.	.			trans	-63.5	136.9	178.6	-81.4	94.6	0	0	0	110.2	Y741 V787 I789	Y741-L743 HydrophobicContact CD2-CD1 4.27Å; Y741-L743 HydrophobicContact CE2-CD1 4.05Å; L743-V787 HydrophobicContact CD1-CG1 4Å; L743-V787 HydrophobicContact CD2-CG1 4.39Å; L743-V787 HydrophobicContact CG-CG1 4.3Å; L743-I789 HydrophobicContact CD2-CG1 4.38Å
744	P	50.6	Low	54.8	Low	64 Å²	64	83.1 Å²	83.1	42%	0.416	47%	0.472	S	S	.	.			trans	-67.9	138.5	169.7	25.8	-30	0	0	0	110.3	T746	P744-T746 PolarHBondContact O-N 3.22Å; P744-T746 VanDerWaalsContact O-N 3.1Å
745	S	45.7	Very low	53.9	Low	127 Å²	127	83.2 Å²	83.2	89%	0.888	48%	0.477	S	S	*	.	S	Bend	trans	-74	8.4	-177	49.8	0	0	0	0	114.9
746	T	44.2	Very low	53.1	Low	108 Å²	108	87.5 Å²	87.5	66%	0.663	50%	0.498	S	S	*	.			trans	-108.5	112.3	-173.2	50.1	0	0	0	0	111.1	P744 T748	P744-T746 PolarHBondContact O-N 3.22Å; P744-T746 VanDerWaalsContact O-N 3.1Å; T746-T748 PolarHBondContact O-N 3.18Å
747	K	38.3	Very low	52.6	Low	194 Å²	194	90.7 Å²	90.7	84%	0.843	51%	0.508	S	S	*	.			trans	-59.8	115.8	166.8	-75.5	178	173.2	-179.4	0	108.7
748	T	40.5	Very low	52.2	Low	112 Å²	112	95.9 Å²	95.9	69%	0.687	53%	0.534	S	S	*	.			trans	-87.2	113.6	152.4	41.5	0	0	0	0	107.1	T746 N750	T746-T748 PolarHBondContact O-N 3.18Å; T748-N750 PolarHBondContact O-N 2.81Å
749	D	33.5	Very low	51.9	Low	145 Å²	145	96.4 Å²	96.4	78%	0.775	54%	0.538	S	S	*	.			trans	-63	93.3	173.7	-70.4	-37.6	0	0	0	109.3
750	N	39.3	Very low	51.9	Low	145 Å²	145	102.3 Å²	102.3	78%	0.775	57%	0.565	S	S	*	*			trans	-111.9	110	159.5	-87.9	-12	0	0	0	108.2	T748 N752	T748-N750 PolarHBondContact O-N 2.81Å; N750-N752 PolarHBondContact O-N 2.68Å
751	T	35.4	Very low	52.1	Low	130 Å²	130	97.9 Å²	97.9	80%	0.798	55%	0.549	S	S	*	.			trans	-61.2	93	170.5	49.5	0	0	0	0	109.6
752	N	39.7	Very low	52.6	Low	146 Å²	146	103.7 Å²	103.7	78%	0.781	57%	0.574	S	S	*	*	S	Bend	trans	-174.7	130.1	150	-87.1	-21	0	0	0	106.6	N750 D754	N750-N752 PolarHBondContact O-N 2.68Å; N752-D754 PolarHBondContact O-N 2.95Å
753	G	42	Very low	53.5	Low	86 Å²	86	100 Å²	100	89%	0.887	56%	0.557	S	S	*	*	S	Bend	trans	-69.1	30.7	-163.7	0	0	0	0	0	117.7
754	D	40.1	Very low	54.6	Low	134 Å²	134	97 Å²	97	72%	0.717	54%	0.542	S	S	*	.			trans	-104.7	108.6	178.6	-70	-27.9	0	0	0	110.5	N752 I756	N752-D754 PolarHBondContact O-N 2.95Å; D754-I756 VanDerWaalsContact C-N 3.26Å; D754-I756 PolarHBondContact O-N 2.93Å
755	S	50.5	Low	56.1	Low	53 Å²	53	96.3 Å²	96.3	37%	0.371	53%	0.534	S	S	.	.			trans	-77.9	64.2	-176	56.2	0	0	0	0	112.5	I789	S755-I789 PolarHBondContact O-N 3.49Å
756	I	55	Low	57.5	Low	94 Å²	94	90.3 Å²	90.3	48%	0.482	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.1	-175.9	-53.5	-179.1	0	0	0	109.8	D754 I758 I786	D754-I756 VanDerWaalsContact C-N 3.26Å; D754-I756 PolarHBondContact O-N 2.93Å; I756-I758 HydrophobicContact CG2-CD1 4.46Å; I756-I758 HydrophobicContact CG2-CG1 3.89Å; I756-I786 HydrophobicContact CG2-CG2 3.42Å; I756-I786 VanDerWaalsContact CG2-CG2 3.42Å
757	Y	62.2	Low	59.1	Low	94 Å²	94	88.6 Å²	88.6	37%	0.369	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.9	169.7	-168.2	-89.9	0	0	0	109.1	V787	Y757-V787 PolarHBondContact N-O 3.37Å; Y757-V787 PolarHBondContact O-N 3.21Å
758	I	65.3	Low	60.6	Low	110 Å²	110	80.7 Å²	80.7	56%	0.564	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.7	177.8	-54.4	179.4	0	0	0	107.9	I756 I786	I756-I758 HydrophobicContact CG2-CD1 4.46Å; I756-I758 HydrophobicContact CG2-CG1 3.89Å; I758-I786 HydrophobicContact CG1-CG1 4.39Å
759	T	71	Confident	61.7	Low	20 Å²	20	79.6 Å²	79.6	12%	0.123	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.7	172.3	-169.5	0	0	0	0	110.5	F639 V785	F639-T759 HydrophobicContact CE1-CG2 4.4Å; F639-T759 HydrophobicContact CE2-CG2 3.58Å; F639-T759 HydrophobicContact CZ-CG2 3.4Å; T759-V785 HydrophobicContact CG2-CB 4.13Å; T759-V785 PolarHBondContact N-O 2.03Å; T759-V785 PolarHBondContact O-N 2.93Å
760	E	75.2	Confident	63.1	Low	124 Å²	124	77.4 Å²	77.4	58%	0.579	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.4	177.6	-68.1	-173.2	-165.9	0	0	110.7	S782 F783	E760-S782 PolarHBondContact OE2-OG 3.03Å; E760-F783 WeakPolarHBondContact CA-O 3.48Å
761	I	77.5	Confident	63.7	Low	2 Å²	2	78.8 Å²	78.8	1%	0.01	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.4	167.7	-58.4	-179.3	0	0	0	107.5	M605 L635 P636 F639 L739 S782 F783 V785	M605-I761 HydrophobicContact CE-CB 3.96Å; M605-I761 HydrophobicContact CE-CD1 3.74Å; M605-I761 HydrophobicContact CE-CG1 4.35Å; M605-I761 HydrophobicContact CE-CG2 4.12Å; M605-I761 HydrophobicContact SD-CD1 4.39Å; L635-I761 HydrophobicContact CD2-CG2 4.25Å; P636-I761 HydrophobicContact CG-CG1 4.27Å; F639-I761 HydrophobicContact CD1-CD1 3.73Å; F639-I761 HydrophobicContact CE1-CD1 3.81Å; L739-I761 HydrophobicContact CD1-CD1 4.48Å; I761-S782 CarbonylContact O-C 3.52Å; I761-S782 WeakPolarHBondContact O-CA 3.29Å; I761-S782 WeakPolarHBondContact O-CB 3.26Å; I761-F783 HydrophobicContact CB-CB 4.45Å; I761-F783 PolarHBondContact N-O 3.19Å; I761-F783 PolarHBondContact O-N 2.88Å; I761-V785 HydrophobicContact CD1-CG2 3.73Å; I761-V785 HydrophobicContact CG1-CG2 4.02Å
762	K	80	Confident	64.6	Low	138 Å²	138	79.1 Å²	79.1	60%	0.6	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-62.4	142.6	178.7	-68.8	-175.2	178	-177.7	0	110.5	H634	H634-K762 HydrophobicContact CB-CB 4.43Å
763	H	80.5	Confident	65.1	Low	10 Å²	10	78.1 Å²	78.1	5%	0.046	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-56.3	135.4	173.2	-169.6	-82.7	0	0	0	110.3	F601 C603 I765 Q780 F783	F601-H763 AromaticContact CE1-CE1 3.9Å; C603-H763 WeakPolarHBondContact CB-NE2 3.4Å; H763-I765 PolarHBondContact O-N 3Å; H763-Q780 HydrophobicContact CB-CB 4.08Å; H763-Q780 WeakPolarHBondContact CD2-CB 3.4Å; H763-Q780 PolarHBondContact CD2-OE1 3.46Å; H763-Q780 VanDerWaalsContact CD2-OE1 3.29Å; H763-Q780 PolarHBondContact NE2-OE1 3.45Å; H763-F783 HydrophobicContact CB-CE2 4.49Å; H763-F783 AromaticContact CD2-CE2 3.85Å; H763-F783 AromaticContact CD2-CZ 3.69Å
764	P	80.9	Confident	66	Low	1 Å²	1	75 Å²	75	1%	0.006	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-52.9	135.7	175.5	-25.6	31.8	0	0	0	111.6	F601 C603 L614 L631 L633	F601-P764 HydrophobicContact CZ-CB 4.47Å; C603-P764 HydrophobicContact CB-CG 4.36Å; L614-P764 HydrophobicContact CD1-CG 4.22Å; L614-P764 HydrophobicContact CD2-CG 3.73Å; L631-P764 HydrophobicContact CD1-CB 3.7Å; L631-P764 HydrophobicContact CG-CB 4.38Å; L633-P764 HydrophobicContact CD1-CG 4.02Å
765	I	80.3	Confident	66.6	Low	50 Å²	50	75.9 Å²	75.9	26%	0.256	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.8	-178.9	-58.7	174.3	0	0	0	108.4	H632 H763 N778	H632-I765 HydrophobicContact CB-CB 4.39Å; H632-I765 PolarHBondContact N-O 2.84Å; H632-I765 PolarHBondContact O-N 3.13Å; H763-I765 PolarHBondContact O-N 3Å; I765-N778 HydrophobicContact CG2-CB 4.44Å
766	L	77.1	Confident	66.7	Low	1 Å²	1	80.2 Å²	80.2	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	112.6	173.1	-171.8	69.1	0	0	0	109.2	F618 C629 I721 F774 N778	F618-L766 HydrophobicContact CE1-CD1 4.08Å; F618-L766 HydrophobicContact CE1-CD2 4.09Å; F618-L766 HydrophobicContact CZ-CD1 4.42Å; C629-L766 HydrophobicContact CB-CD1 4.11Å; I721-L766 HydrophobicContact CD1-CD1 3.42Å; I721-L766 VanDerWaalsContact CD1-CD1 3.42Å; L766-F774 HydrophobicContact CD2-CD1 4.24Å; L766-F774 HydrophobicContact CD2-CE1 4.06Å; L766-F774 HydrophobicContact CD2-CZ 4.39Å; L766-N778 PolarHBondContact N-OD1 2.9Å; L766-N778 PolarHBondContact O-ND2 2.67Å
767	N	75.8	Confident	66.9	Low	72 Å²	72	77.4 Å²	77.4	39%	0.385	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.5	176.2	-83.8	-30	0	0	0	109.9	C629 Q630 H632	C629-N767 CarbonylContact C-O 3.57Å; C629-N767 WeakPolarHBondContact CA-O 3.25Å; Q630-N767 PolarHBondContact N-O 2.8Å; Q630-N767 PolarHBondContact O-N 2.8Å; H632-N767 PolarHBondContact CE1-ND2 2.64Å; H632-N767 PolarHBondContact ND1-ND2 2.98Å
768	C	70.6	Confident	66.9	Low	27 Å²	27	75 Å²	75	18%	0.182	37%	0.374	C	S	.	.			trans	-112.9	138.5	175.5	-63.3	0	0	0	0	110.3	C629 K770 F774	C629-C768 HydrophobicContact CB-CB 4.18Å; C629-C768 WeakPolarHBondContact CB-SG 3.14Å; C629-C768 WeakPolarHBondContact SG-CB 3.22Å; C629-C768 CovalentContact SG-SG 2.03Å; C629-C768 PolarHBondContact SG-SG 3.17Å; C768-K770 VanDerWaalsContact C-N 3.34Å; C768-K770 PolarHBondContact O-N 2.93Å; C768-F774 HydrophobicContact CB-CD2 4.12Å; C768-F774 HydrophobicContact CB-CE2 3.57Å; C768-F774 HydrophobicContact CB-CZ 4.49Å; C768-F774 WeakPolarHBondContact SG-CE2 3.05Å
769	P	64.3	Low	66.5	Low	90 Å²	90	74 Å²	74	58%	0.584	38%	0.376	S	S	*	.	S	Bend	trans	-78.3	-13.1	-176.9	25.7	-31.1	0	0	0	114.6	H628	H628-P769 HydrophobicContact CB-CG 3.37Å; H628-P769 WeakPolarHBondContact O-CD 3.36Å
770	K	61.6	Low	66.2	Low	99 Å²	99	76.8 Å²	76.8	43%	0.43	39%	0.388	S	S	.	.	S	Bend	trans	-84.9	139.5	169.6	-63.1	176.6	-174.3	166.5	0	107.9	S624 C768 Y772	S624-K770 PolarHBondContact O-NZ 3.01Å; S624-K770 VanDerWaalsContact O-NZ 3.12Å; C768-K770 VanDerWaalsContact C-N 3.34Å; C768-K770 PolarHBondContact O-N 2.93Å; K770-Y772 HydrophobicContact CB-CD2 4.24Å; K770-Y772 PolarHBondContact O-N 3.08Å
771	D	51.9	Low	65.7	Low	173 Å²	173	79.3 Å²	79.3	93%	0.925	40%	0.4	S	S	*	.			trans	-60.7	30.9	-176.4	-74.5	-41.6	0	0	0	116	N773	D771-N773 PolarHBondContact O-N 2.66Å
772	Y	55.7	Low	65.4	Low	138 Å²	138	81.5 Å²	81.5	54%	0.541	42%	0.415	S	S	.	.			trans	-65.9	116.7	165.7	-85.9	-87.3	0	0	0	108.8	L625 K770 F774	L625-Y772 HydrophobicContact CD2-CD1 4.48Å; L625-Y772 HydrophobicContact CD2-CD2 3.75Å; L625-Y772 HydrophobicContact CD2-CE1 3.98Å; L625-Y772 HydrophobicContact CD2-CE2 3.14Å; L625-Y772 HydrophobicContact CD2-CG 4.38Å; L625-Y772 WeakPolarHBondContact CD2-OH 3.15Å; K770-Y772 HydrophobicContact CB-CD2 4.24Å; K770-Y772 PolarHBondContact O-N 3.08Å; Y772-F774 HydrophobicContact CG-CE2 4.32Å; Y772-F774 HydrophobicContact CG-CZ 4.47Å; Y772-F774 WeakPolarHBondContact O-CD2 3.49Å; Y772-F774 PolarHBondContact O-N 2.96Å
773	N	50	Low	65.2	Low	124 Å²	124	76.9 Å²	76.9	66%	0.663	40%	0.395	S	S	*	.			trans	-76.1	75.2	-177.4	-140.9	-6.8	0	0	0	109	D771 K775	D771-N773 PolarHBondContact O-N 2.66Å; N773-K775 PolarHBondContact O-N 2.85Å; N773-K775 WeakPolarHBondContact OD1-CD 3.41Å; N773-K775 WeakPolarHBondContact OD1-CE 3.21Å; N773-K775 VanDerWaalsContact OD1-CG 3.26Å; N773-K775 WeakPolarHBondContact OD1-CG 3.17Å
774	F	59.8	Low	64.7	Low	20 Å²	20	80.4 Å²	80.4	9%	0.088	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	13.6	173.7	-68.1	-78.3	0	0	0	112.9	F621 L766 C768 Y772 N776 I777 N778	F621-F774 AromaticContact CE1-CE1 3.87Å; F621-F774 HydrophobicContact CE1-CE1 3.87Å; F621-F774 HydrophobicContact CE1-CZ 4.39Å; F621-F774 HydrophobicContact CZ-CE1 4.28Å; L766-F774 HydrophobicContact CD2-CD1 4.24Å; L766-F774 HydrophobicContact CD2-CE1 4.06Å; L766-F774 HydrophobicContact CD2-CZ 4.39Å; C768-F774 HydrophobicContact CB-CD2 4.12Å; C768-F774 HydrophobicContact CB-CE2 3.57Å; C768-F774 HydrophobicContact CB-CZ 4.49Å; C768-F774 WeakPolarHBondContact SG-CE2 3.05Å; Y772-F774 HydrophobicContact CG-CE2 4.32Å; Y772-F774 HydrophobicContact CG-CZ 4.47Å; Y772-F774 WeakPolarHBondContact O-CD2 3.49Å; Y772-F774 PolarHBondContact O-N 2.96Å; F774-N776 VanDerWaalsContact C-N 3.27Å; F774-N776 PolarHBondContact O-N 3.07Å; F774-I777 HydrophobicContact CB-CB 4.49Å; F774-I777 HydrophobicContact CD1-CB 4.45Å; F774-I777 HydrophobicContact CD1-CD1 3.71Å; F774-I777 HydrophobicContact CE1-CD1 4.24Å; F774-I777 WeakPolarHBondContact O-CA 3.08Å; F774-I777 PolarHBondContact O-N 2.67Å; F774-N778 PolarHBondContact O-N 2.74Å
775	K	52.4	Low	64	Low	153 Å²	153	80.5 Å²	80.5	67%	0.665	42%	0.421	S	S	*	.	H	α-helix	trans	-55.3	-38.8	-176.8	-79.7	-176.1	-176.2	-178.7	0	113	N773 I777 S779	N773-K775 PolarHBondContact O-N 2.85Å; N773-K775 WeakPolarHBondContact OD1-CD 3.41Å; N773-K775 WeakPolarHBondContact OD1-CE 3.21Å; N773-K775 VanDerWaalsContact OD1-CG 3.26Å; N773-K775 WeakPolarHBondContact OD1-CG 3.17Å; K775-I777 VanDerWaalsContact C-N 3.32Å; K775-S779 WeakPolarHBondContact O-CB 3.4Å; K775-S779 PolarHBondContact O-N 3.43Å; K775-S779 PolarHBondContact O-OG 3.27Å
776	N	53.7	Low	63.3	Low	145 Å²	145	82.2 Å²	82.2	78%	0.775	43%	0.43	S	S	*	.	H	α-helix	trans	-73.2	-25	177.4	-70.3	-1	0	0	0	113	F774 S779	F774-N776 VanDerWaalsContact C-N 3.27Å; F774-N776 PolarHBondContact O-N 3.07Å; N776-S779 PolarHBondContact O-OG 3.24Å
777	I	59.8	Low	62.5	Low	34 Å²	34	82.3 Å²	82.3	17%	0.174	43%	0.431	C	S	.	.	H	α-helix	trans	-85.8	-34.6	-178.7	-69.4	169.3	0	0	0	110.5	F601 F774 K775	F601-I777 HydrophobicContact CB-CG2 3.69Å; F601-I777 HydrophobicContact CD1-CG2 3.69Å; F601-I777 HydrophobicContact CG-CG2 4.15Å; F774-I777 HydrophobicContact CB-CB 4.49Å; F774-I777 HydrophobicContact CD1-CB 4.45Å; F774-I777 HydrophobicContact CD1-CD1 3.71Å; F774-I777 HydrophobicContact CE1-CD1 4.24Å; F774-I777 WeakPolarHBondContact O-CA 3.08Å; F774-I777 PolarHBondContact O-N 2.67Å; K775-I777 VanDerWaalsContact C-N 3.32Å
778	N	62	Low	61.3	Low	45 Å²	45	82 Å²	82	24%	0.241	43%	0.432	C	S	.	.	H	α-helix	trans	-83.8	-6.7	179.9	-71.4	-25.2	0	0	0	113.7	I765 L766 F774 Q780	I765-N778 HydrophobicContact CG2-CB 4.44Å; L766-N778 PolarHBondContact N-OD1 2.9Å; L766-N778 PolarHBondContact O-ND2 2.67Å; F774-N778 PolarHBondContact O-N 2.74Å; N778-Q780 PolarHBondContact O-N 3.21Å
779	S	56.2	Low	60.4	Low	89 Å²	89	84.6 Å²	84.6	62%	0.622	44%	0.444	S	S	*	.			trans	-94.9	30.3	-179.4	66.5	0	0	0	0	114.1	K775 N776	K775-S779 WeakPolarHBondContact O-CB 3.4Å; K775-S779 PolarHBondContact O-N 3.43Å; K775-S779 PolarHBondContact O-OG 3.27Å; N776-S779 PolarHBondContact O-OG 3.24Å
780	Q	64.9	Low	59.5	Low	78 Å²	78	84 Å²	84	36%	0.364	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-81.8	154.1	177.9	-68.9	-162.9	16.9	0	0	112.3	H763 N778	H763-Q780 HydrophobicContact CB-CB 4.08Å; H763-Q780 WeakPolarHBondContact CD2-CB 3.4Å; H763-Q780 PolarHBondContact CD2-OE1 3.46Å; H763-Q780 VanDerWaalsContact CD2-OE1 3.29Å; H763-Q780 PolarHBondContact NE2-OE1 3.45Å; N778-Q780 PolarHBondContact O-N 3.21Å
781	Q	64.5	Low	58.7	Low	177 Å²	177	86.4 Å²	86.4	83%	0.827	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-64.1	149.4	-178.4	-72.4	-179.7	-14.4	0	0	111.7
782	S	71.6	Confident	57.8	Low	47 Å²	47	85.8 Å²	85.8	33%	0.329	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-62.1	145.6	169	38.9	0	0	0	0	110.8	E760 I761 S784	E760-S782 PolarHBondContact OE2-OG 3.03Å; I761-S782 CarbonylContact O-C 3.52Å; I761-S782 WeakPolarHBondContact O-CA 3.29Å; I761-S782 WeakPolarHBondContact O-CB 3.26Å; S782-S784 PolarHBondContact O-N 3.42Å
783	F	74.8	Confident	57.3	Low	41 Å²	41	82.9 Å²	82.9	18%	0.18	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	113.9	172.4	-58.6	-77.8	0	0	0	109	C603 M605 L614 E760 I761 H763 V785	C603-F783 HydrophobicContact CB-CE2 4.41Å; C603-F783 HydrophobicContact CB-CZ 3.83Å; C603-F783 WeakPolarHBondContact O-CE1 3.35Å; C603-F783 VanDerWaalsContact O-CZ 3.3Å; C603-F783 WeakPolarHBondContact O-CZ 3.46Å; M605-F783 HydrophobicContact CB-CD1 3.94Å; M605-F783 HydrophobicContact CB-CE1 4.2Å; M605-F783 HydrophobicContact CB-CG 4.21Å; M605-F783 HydrophobicContact CE-CB 3.36Å; M605-F783 HydrophobicContact CE-CD1 4.3Å; M605-F783 HydrophobicContact CE-CD2 3.53Å; M605-F783 HydrophobicContact CE-CE2 4.39Å; M605-F783 HydrophobicContact CE-CG 3.48Å; M605-F783 VanDerWaalsContact CE-CG 3.48Å; L614-F783 HydrophobicContact CD1-CE2 4.09Å; L614-F783 HydrophobicContact CD1-CZ 4.27Å; E760-F783 WeakPolarHBondContact CA-O 3.48Å; I761-F783 HydrophobicContact CB-CB 4.45Å; I761-F783 PolarHBondContact N-O 3.19Å; I761-F783 PolarHBondContact O-N 2.88Å; H763-F783 HydrophobicContact CB-CE2 4.49Å; H763-F783 AromaticContact CD2-CE2 3.85Å; H763-F783 AromaticContact CD2-CZ 3.69Å; F783-V785 PolarHBondContact O-N 3.26Å
784	S	71.3	Confident	57.1	Low	84 Å²	84	86.6 Å²	86.6	59%	0.587	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	111.7	170.8	62.7	0	0	0	0	109.6	S782	S782-S784 PolarHBondContact O-N 3.42Å
785	V	65.8	Low	56.5	Low	4 Å²	4	92.4 Å²	92.4	2%	0.024	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.7	176.1	179.8	0	0	0	0	108.7	M605 L612 F639 T759 I761 F783 V787	M605-V785 HydrophobicContact CE-CG2 4.28Å; L612-V785 HydrophobicContact CD1-CG1 4.2Å; L612-V785 HydrophobicContact CD2-CG1 3.87Å; L612-V785 HydrophobicContact CD2-CG2 3.76Å; F639-V785 HydrophobicContact CE1-CG1 4.36Å; F639-V785 HydrophobicContact CZ-CG1 4.44Å; T759-V785 HydrophobicContact CG2-CB 4.13Å; T759-V785 PolarHBondContact N-O 2.03Å; T759-V785 PolarHBondContact O-N 2.93Å; I761-V785 HydrophobicContact CD1-CG2 3.73Å; I761-V785 HydrophobicContact CG1-CG2 4.02Å; F783-V785 PolarHBondContact O-N 3.26Å; V785-V787 HydrophobicContact CG1-CG2 4.2Å
786	I	64.8	Low	56.4	Low	85 Å²	85	87.9 Å²	87.9	44%	0.436	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.4	175.6	-63.2	172.5	0	0	0	108.3	Q607 I756 I758 P788	Q607-I786 PolarHBondContact NE2-O 2.79Å; Q607-I786 VanDerWaalsContact NE2-O 3.11Å; I756-I786 HydrophobicContact CG2-CG2 3.42Å; I756-I786 VanDerWaalsContact CG2-CG2 3.42Å; I758-I786 HydrophobicContact CG1-CG1 4.39Å; I786-P788 WeakPolarHBondContact O-CD 3.4Å
787	V	60.2	Low	56.3	Low	3 Å²	3	86.4 Å²	86.4	2%	0.018	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	102.1	177.2	-176.3	0	0	0	0	108.5	Y741 L743 Y757 V785	Y741-V787 HydrophobicContact CD2-CG1 4.22Å; Y741-V787 HydrophobicContact CD2-CG2 4.41Å; Y741-V787 HydrophobicContact CE2-CB 4.46Å; Y741-V787 HydrophobicContact CE2-CG1 3.47Å; Y741-V787 VanDerWaalsContact CE2-CG1 3.47Å; Y741-V787 HydrophobicContact CE2-CG2 4.14Å; L743-V787 HydrophobicContact CD1-CG1 4Å; L743-V787 HydrophobicContact CD2-CG1 4.39Å; L743-V787 HydrophobicContact CG-CG1 4.3Å; Y757-V787 PolarHBondContact N-O 3.37Å; Y757-V787 PolarHBondContact O-N 3.21Å; V785-V787 HydrophobicContact CG1-CG2 4.2Å
788	P	50.9	Low	56.2	Low	65 Å²	65	88.8 Å²	88.8	42%	0.422	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.2	177.3	28.1	-32	0	0	0	111	I786	I786-P788 WeakPolarHBondContact O-CD 3.4Å
789	I	51.7	Low	56	Low	83 Å²	83	92.8 Å²	92.8	43%	0.426	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-92.2	123.1	172.1	-55.1	168.8	0	0	0	107.5	L743 S755 L791	L743-I789 HydrophobicContact CD2-CG1 4.38Å; S755-I789 PolarHBondContact O-N 3.49Å; I789-L791 PolarHBondContact O-N 3.38Å
790	P	45.3	Very low	56	Low	76 Å²	76	90 Å²	90	49%	0.494	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-69.6	128	-177.1	22.2	-26.3	0	0	0	112.3	T583	T583-P790 HydrophobicContact CG2-CB 3.72Å; T583-P790 HydrophobicContact CG2-CG 3.62Å
791	L	44.5	Very low	56	Low	150 Å²	150	90.3 Å²	90.3	79%	0.785	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-68.9	134.7	160.3	-88.8	132.6	0	0	0	109.8	I789 S793	I789-L791 PolarHBondContact O-N 3.38Å; L791-S793 PolarHBondContact O-N 3.01Å
792	L	34.4	Very low	56.2	Low	161 Å²	161	84.6 Å²	84.6	84%	0.843	46%	0.457	S	S	*	.			trans	-39.2	114.5	179.8	-124.1	78	0	0	0	112.9
793	S	44	Very low	56.1	Low	76 Å²	76	86.2 Å²	86.2	53%	0.531	46%	0.461	S	S	.	.			trans	-127.8	129.4	165.9	65.7	0	0	0	0	111.3	L791 L795 V796	L791-S793 PolarHBondContact O-N 3.01Å; S793-L795 PolarHBondContact O-N 3.12Å; S793-V796 PolarHBondContact O-N 3.24Å
794	Y	46.6	Very low	55.8	Low	202 Å²	202	86 Å²	86	79%	0.792	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-11.4	-168.3	-83	-99.7	0	0	0	116.1
795	L	46.6	Very low	56	Low	143 Å²	143	87 Å²	87	75%	0.749	46%	0.46	S	S	*	.	H	α-helix	trans	-74.5	-27.3	-177.6	-92.9	144.1	0	0	0	113.8	S793 F797 V798	S793-L795 PolarHBondContact O-N 3.12Å; L795-F797 PolarHBondContact O-N 3.12Å; L795-V798 PolarHBondContact O-N 2.85Å
796	V	50.2	Low	56.5	Low	58 Å²	58	92.5 Å²	92.5	35%	0.352	49%	0.488	S	S	.	.	H	α-helix	trans	-69.9	-22.3	180	-177.1	0	0	0	0	112.1	I579 S793 P800	I579-V796 HydrophobicContact CG1-CG1 3.77Å; S793-V796 PolarHBondContact O-N 3.24Å; V796-P800 WeakPolarHBondContact O-CD 3.44Å; V796-P800 VanDerWaalsContact O-CG 3.22Å; V796-P800 WeakPolarHBondContact O-CG 3.35Å
797	F	52.6	Low	56.8	Low	113 Å²	113	91 Å²	91	50%	0.496	48%	0.48	S	S	.	.	H	α-helix	trans	-79.4	-31.1	175.4	-75.7	-82.4	0	0	0	113.1	L795 I801	L795-F797 PolarHBondContact O-N 3.12Å; F797-I801 HydrophobicContact CB-CD1 4.08Å; F797-I801 HydrophobicContact CD1-CD1 4.4Å; F797-I801 WeakPolarHBondContact O-CB 3.32Å; F797-I801 VanDerWaalsContact O-CD1 3.27Å; F797-I801 WeakPolarHBondContact O-CD1 3.17Å; F797-I801 WeakPolarHBondContact O-CG1 3.46Å; F797-I801 PolarHBondContact O-N 3.13Å
798	V	57.6	Low	57.5	Low	85 Å²	85	93.6 Å²	93.6	52%	0.515	49%	0.494	S	S	.	.	H	α-helix	trans	-73.3	-41.7	-167.7	-177	0	0	0	0	112.5	L795 T802	L795-V798 PolarHBondContact O-N 2.85Å; V798-T802 HydrophobicContact CG1-CG2 4.12Å; V798-T802 VanDerWaalsContact O-CB 3.3Å; V798-T802 WeakPolarHBondContact O-CB 3.25Å; V798-T802 VanDerWaalsContact O-CG2 3.22Å; V798-T802 WeakPolarHBondContact O-CG2 3.21Å; V798-T802 PolarHBondContact O-N 3.47Å; V798-T802 PolarHBondContact O-OG1 3.47Å
799	M	56.7	Low	58.7	Low	128 Å²	128	92.3 Å²	92.3	63%	0.631	49%	0.492	S	S	*	.	H	α-helix	trans	-65.4	-51.6	-179.5	-88.9	-119.8	97.4	0	0	114	I801 T802 I803	M799-I801 VanDerWaalsContact C-N 3.35Å; M799-I801 PolarHBondContact O-N 3.09Å; M799-T802 WeakPolarHBondContact CA-OG1 3.36Å; M799-T802 PolarHBondContact O-N 3.31Å; M799-T802 PolarHBondContact O-OG1 3.28Å; M799-I803 VanDerWaalsContact O-CG1 3.32Å; M799-I803 WeakPolarHBondContact O-CG1 3.5Å; M799-I803 PolarHBondContact O-N 3.44Å
800	P	58	Low	59.9	Low	30 Å²	30	92.1 Å²	92.1	20%	0.195	50%	0.495	C	S	.	.	H	α-helix	trans	-69.3	-33	178.8	23.3	-30.9	0	0	0	112.8	T575 V796 I803 L804	T575-P800 HydrophobicContact CG2-CB 3.19Å; T575-P800 HydrophobicContact CG2-CG 3.65Å; V796-P800 WeakPolarHBondContact O-CD 3.44Å; V796-P800 VanDerWaalsContact O-CG 3.22Å; V796-P800 WeakPolarHBondContact O-CG 3.35Å; P800-I803 PolarHBondContact O-N 3.04Å; P800-L804 WeakPolarHBondContact O-CB 3.41Å; P800-L804 PolarHBondContact O-N 3.46Å
801	I	64.3	Low	60.9	Low	85 Å²	85	90 Å²	90	44%	0.436	48%	0.479	S	S	.	.	H	α-helix	trans	-66.1	-41.2	173.1	-68.1	172.7	0	0	0	110.6	F797 M799 L804 L805	F797-I801 HydrophobicContact CB-CD1 4.08Å; F797-I801 HydrophobicContact CD1-CD1 4.4Å; F797-I801 WeakPolarHBondContact O-CB 3.32Å; F797-I801 VanDerWaalsContact O-CD1 3.27Å; F797-I801 WeakPolarHBondContact O-CD1 3.17Å; F797-I801 WeakPolarHBondContact O-CG1 3.46Å; F797-I801 PolarHBondContact O-N 3.13Å; M799-I801 VanDerWaalsContact C-N 3.35Å; M799-I801 PolarHBondContact O-N 3.09Å; I801-L804 PolarHBondContact O-N 3.1Å; I801-L805 HydrophobicContact CG2-CD1 3.84Å; I801-L805 HydrophobicContact CG2-CG 4.27Å; I801-L805 VanDerWaalsContact O-CB 3.31Å; I801-L805 WeakPolarHBondContact O-CB 3.49Å; I801-L805 VanDerWaalsContact O-CG 3.25Å; I801-L805 WeakPolarHBondContact O-CG 3.29Å; I801-L805 PolarHBondContact O-N 3.09Å
802	T	69.1	Low	62.2	Low	58 Å²	58	86.5 Å²	86.5	36%	0.356	47%	0.466	S	S	.	.	H	α-helix	trans	-66.8	-40.5	176.2	47.4	0	0	0	0	112.1	V798 M799 L805 L806	V798-T802 HydrophobicContact CG1-CG2 4.12Å; V798-T802 VanDerWaalsContact O-CB 3.3Å; V798-T802 WeakPolarHBondContact O-CB 3.25Å; V798-T802 VanDerWaalsContact O-CG2 3.22Å; V798-T802 WeakPolarHBondContact O-CG2 3.21Å; V798-T802 PolarHBondContact O-N 3.47Å; V798-T802 PolarHBondContact O-OG1 3.47Å; M799-T802 WeakPolarHBondContact CA-OG1 3.36Å; M799-T802 PolarHBondContact O-N 3.31Å; M799-T802 PolarHBondContact O-OG1 3.28Å; T802-L805 PolarHBondContact O-N 3.35Å; T802-L806 WeakPolarHBondContact O-CB 3.28Å; T802-L806 PolarHBondContact O-N 3.08Å
803	I	68.6	Low	64.1	Low	80 Å²	80	85.5 Å²	85.5	41%	0.41	46%	0.461	S	S	.	.	H	α-helix	trans	-62.3	-44.9	172.5	-68.8	166.9	0	0	0	110.6	M799 P800 L806 I807	M799-I803 VanDerWaalsContact O-CG1 3.32Å; M799-I803 WeakPolarHBondContact O-CG1 3.5Å; M799-I803 PolarHBondContact O-N 3.44Å; P800-I803 PolarHBondContact O-N 3.04Å; I803-L806 WeakPolarHBondContact O-CB 3.29Å; I803-L806 PolarHBondContact O-N 3.26Å; I803-I807 HydrophobicContact CG2-CD1 3.76Å; I803-I807 HydrophobicContact CG2-CG1 4.41Å; I803-I807 WeakPolarHBondContact O-CB 3.22Å; I803-I807 VanDerWaalsContact O-CG1 3.27Å; I803-I807 WeakPolarHBondContact O-CG1 3.36Å; I803-I807 PolarHBondContact O-N 2.86Å
804	L	68.7	Low	65.1	Low	38 Å²	38	87.4 Å²	87.4	20%	0.199	47%	0.465	C	S	.	.	H	α-helix	trans	-62.2	-44.4	177.1	-177.2	67.5	0	0	0	111.3	T568 I571 P800 I801 L806 I807 I808	T568-L804 HydrophobicContact CG2-CD1 3.61Å; I571-L804 HydrophobicContact CD1-CD1 4.26Å; P800-L804 WeakPolarHBondContact O-CB 3.41Å; P800-L804 PolarHBondContact O-N 3.46Å; I801-L804 PolarHBondContact O-N 3.1Å; L804-L806 VanDerWaalsContact C-N 3.33Å; L804-L806 PolarHBondContact O-N 2.81Å; L804-I807 PolarHBondContact O-N 3.45Å; L804-I808 HydrophobicContact CD1-CD1 4.37Å; L804-I808 HydrophobicContact CD2-CD1 4.49Å; L804-I808 HydrophobicContact CG-CD1 3.91Å; L804-I808 WeakPolarHBondContact O-CB 3.3Å; L804-I808 WeakPolarHBondContact O-CG1 3.28Å; L804-I808 PolarHBondContact O-N 3.23Å
805	L	75.6	Confident	65.9	Low	105 Å²	105	81.2 Å²	81.2	55%	0.55	44%	0.444	S	S	.	.	H	α-helix	trans	-64.2	-35.9	174.8	-75.4	170.3	0	0	0	112	I801 T802 G809	I801-L805 HydrophobicContact CG2-CD1 3.84Å; I801-L805 HydrophobicContact CG2-CG 4.27Å; I801-L805 VanDerWaalsContact O-CB 3.31Å; I801-L805 WeakPolarHBondContact O-CB 3.49Å; I801-L805 VanDerWaalsContact O-CG 3.25Å; I801-L805 WeakPolarHBondContact O-CG 3.29Å; I801-L805 PolarHBondContact O-N 3.09Å; T802-L805 PolarHBondContact O-N 3.35Å; L805-G809 PolarHBondContact O-N 3.01Å
806	L	76.3	Confident	66.6	Low	119 Å²	119	80.7 Å²	80.7	62%	0.623	46%	0.46	S	S	*	.	H	α-helix	trans	-65.6	-44.8	173.1	-115.7	159.9	0	0	0	111.3	T802 I803 L804 G809 V810	T802-L806 WeakPolarHBondContact O-CB 3.28Å; T802-L806 PolarHBondContact O-N 3.08Å; I803-L806 WeakPolarHBondContact O-CB 3.29Å; I803-L806 PolarHBondContact O-N 3.26Å; L804-L806 VanDerWaalsContact C-N 3.33Å; L804-L806 PolarHBondContact O-N 2.81Å; L806-G809 PolarHBondContact O-N 2.95Å; L806-V810 HydrophobicContact CD2-CG2 4.49Å; L806-V810 WeakPolarHBondContact O-CB 3.4Å; L806-V810 VanDerWaalsContact O-CG2 3.29Å; L806-V810 WeakPolarHBondContact O-CG2 3.44Å; L806-V810 PolarHBondContact O-N 3.43Å
807	I	72	Confident	67.5	Low	52 Å²	52	81.9 Å²	81.9	27%	0.267	47%	0.466	S	S	.	.	H	α-helix	trans	-62.9	-46.4	176.3	-70.1	166.7	0	0	0	110.1	I571 I803 L804 G809 V810 I811	I571-I807 HydrophobicContact CD1-CD1 3.56Å; I803-I807 HydrophobicContact CG2-CD1 3.76Å; I803-I807 HydrophobicContact CG2-CG1 4.41Å; I803-I807 WeakPolarHBondContact O-CB 3.22Å; I803-I807 VanDerWaalsContact O-CG1 3.27Å; I803-I807 WeakPolarHBondContact O-CG1 3.36Å; I803-I807 PolarHBondContact O-N 2.86Å; L804-I807 PolarHBondContact O-N 3.45Å; I807-G809 VanDerWaalsContact C-N 3.32Å; I807-G809 PolarHBondContact O-N 3.04Å; I807-V810 PolarHBondContact O-N 3.2Å; I807-I811 HydrophobicContact CG2-CD1 3.66Å; I807-I811 WeakPolarHBondContact O-CB 3.32Å; I807-I811 WeakPolarHBondContact O-CD1 3.45Å; I807-I811 VanDerWaalsContact O-CG1 3.25Å; I807-I811 WeakPolarHBondContact O-CG1 3.18Å; I807-I811 PolarHBondContact O-N 3.3Å
808	I	74.5	Confident	68.3	Low	59 Å²	59	80.2 Å²	80.2	30%	0.303	46%	0.464	S	S	.	.	H	α-helix	trans	-59.9	-44.5	174.1	-69.3	165.1	0	0	0	110	L564 L804 I811 C812	L564-I808 HydrophobicContact CD1-CG1 4.11Å; L804-I808 HydrophobicContact CD1-CD1 4.37Å; L804-I808 HydrophobicContact CD2-CD1 4.49Å; L804-I808 HydrophobicContact CG-CD1 3.91Å; L804-I808 WeakPolarHBondContact O-CB 3.3Å; L804-I808 WeakPolarHBondContact O-CG1 3.28Å; L804-I808 PolarHBondContact O-N 3.23Å; I808-I811 PolarHBondContact O-N 3.08Å; I808-C812 WeakPolarHBondContact O-CB 3.38Å; I808-C812 PolarHBondContact O-N 2.98Å; I808-C812 PolarHBondContact O-SG 2.96Å; I808-C812 VanDerWaalsContact O-SG 3.34Å
809	G	76.1	Confident	68.8	Low	37 Å²	37	79.9 Å²	79.9	38%	0.381	46%	0.461	S	S	.	.	H	α-helix	trans	-60.9	-46.9	178.2	0	0	0	0	0	112.5	L805 L806 I807 I811 C812 L813	L805-G809 PolarHBondContact O-N 3.01Å; L806-G809 PolarHBondContact O-N 2.95Å; I807-G809 VanDerWaalsContact C-N 3.32Å; I807-G809 PolarHBondContact O-N 3.04Å; G809-I811 VanDerWaalsContact C-N 3.34Å; G809-I811 PolarHBondContact O-N 3.03Å; G809-C812 PolarHBondContact O-N 2.92Å; G809-L813 WeakPolarHBondContact O-CB 3.38Å; G809-L813 PolarHBondContact O-N 2.81Å
810	V	75.4	Confident	69.6	Low	79 Å²	79	77.1 Å²	77.1	48%	0.479	45%	0.451	S	S	.	.	H	α-helix	trans	-63.2	-40.4	175	171.6	0	0	0	0	110.9	L806 I807 L813 L814	L806-V810 HydrophobicContact CD2-CG2 4.49Å; L806-V810 WeakPolarHBondContact O-CB 3.4Å; L806-V810 VanDerWaalsContact O-CG2 3.29Å; L806-V810 WeakPolarHBondContact O-CG2 3.44Å; L806-V810 PolarHBondContact O-N 3.43Å; I807-V810 PolarHBondContact O-N 3.2Å; V810-L813 PolarHBondContact O-N 2.78Å; V810-L814 HydrophobicContact CG1-CD1 3.93Å; V810-L814 HydrophobicContact CG1-CG 4.43Å; V810-L814 WeakPolarHBondContact O-CB 3.45Å; V810-L814 VanDerWaalsContact O-CG 3.25Å; V810-L814 WeakPolarHBondContact O-CG 3.1Å; V810-L814 PolarHBondContact O-N 2.96Å
811	I	68.1	Low	70.3	Confident	31 Å²	31	80.1 Å²	80.1	16%	0.159	47%	0.467	C	S	.	.	H	α-helix	trans	-67.5	-42.2	177.5	-74.2	166.3	0	0	0	111.5	M560 L564 I807 I808 G809 L813 L814 M815	M560-I811 HydrophobicContact CE-CG1 4.38Å; M560-I811 HydrophobicContact CE-CG2 4.01Å; L564-I811 HydrophobicContact CB-CD1 4.37Å; L564-I811 HydrophobicContact CD1-CD1 3.26Å; L564-I811 HydrophobicContact CD1-CG1 4.46Å; L564-I811 HydrophobicContact CD1-CG2 4.4Å; L564-I811 HydrophobicContact CG-CD1 4.41Å; I807-I811 HydrophobicContact CG2-CD1 3.66Å; I807-I811 WeakPolarHBondContact O-CB 3.32Å; I807-I811 WeakPolarHBondContact O-CD1 3.45Å; I807-I811 VanDerWaalsContact O-CG1 3.25Å; I807-I811 WeakPolarHBondContact O-CG1 3.18Å; I807-I811 PolarHBondContact O-N 3.3Å; I808-I811 PolarHBondContact O-N 3.08Å; G809-I811 VanDerWaalsContact C-N 3.34Å; G809-I811 PolarHBondContact O-N 3.03Å; I811-L813 VanDerWaalsContact C-N 3.31Å; I811-L813 PolarHBondContact O-N 3.27Å; I811-L814 PolarHBondContact O-N 2.88Å; I811-M815 HydrophobicContact CG2-CE 4.41Å; I811-M815 HydrophobicContact CG2-CG 4.35Å; I811-M815 WeakPolarHBondContact O-CB 3.31Å; I811-M815 WeakPolarHBondContact O-CG 3.26Å; I811-M815 PolarHBondContact O-N 3.06Å
812	C	71.7	Confident	70.7	Confident	77 Å²	77	79.7 Å²	79.7	52%	0.52	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-39.8	173.1	-74.8	0	0	0	0	111.3	I808 G809 L814 M815 A816	I808-C812 WeakPolarHBondContact O-CB 3.38Å; I808-C812 PolarHBondContact O-N 2.98Å; I808-C812 PolarHBondContact O-SG 2.96Å; I808-C812 VanDerWaalsContact O-SG 3.34Å; G809-C812 PolarHBondContact O-N 2.92Å; C812-L814 VanDerWaalsContact C-N 3.32Å; C812-L814 PolarHBondContact O-N 2.63Å; C812-M815 PolarHBondContact O-N 2.91Å; C812-A816 PolarHBondContact O-N 2.94Å
813	L	72.9	Confident	70.8	Confident	141 Å²	141	81.3 Å²	81.3	74%	0.738	48%	0.478	S	S	*	.	H	α-helix	trans	-69.7	-28.2	176.5	-155.2	110	0	0	0	112.9	G809 V810 I811	G809-L813 WeakPolarHBondContact O-CB 3.38Å; G809-L813 PolarHBondContact O-N 2.81Å; V810-L813 PolarHBondContact O-N 2.78Å; I811-L813 VanDerWaalsContact C-N 3.31Å; I811-L813 PolarHBondContact O-N 3.27Å
814	L	65.6	Low	71	Confident	116 Å²	116	81.4 Å²	81.4	61%	0.607	48%	0.483	S	S	*	.	H	α-helix	trans	-80.9	-22.8	172.3	-74.2	168.8	0	0	0	112.9	M560 V810 I811 C812	M560-L814 HydrophobicContact CE-CB 4.12Å; M560-L814 HydrophobicContact CE-CD1 4.46Å; V810-L814 HydrophobicContact CG1-CD1 3.93Å; V810-L814 HydrophobicContact CG1-CG 4.43Å; V810-L814 WeakPolarHBondContact O-CB 3.45Å; V810-L814 VanDerWaalsContact O-CG 3.25Å; V810-L814 WeakPolarHBondContact O-CG 3.1Å; V810-L814 PolarHBondContact O-N 2.96Å; I811-L814 PolarHBondContact O-N 2.88Å; C812-L814 VanDerWaalsContact C-N 3.32Å; C812-L814 PolarHBondContact O-N 2.63Å
815	M	62.5	Low	71.1	Confident	71 Å²	71	85 Å²	85	35%	0.35	51%	0.506	S	S	.	.	H	α-helix	trans	-80.6	-34	175.9	-75.7	-100	-177.7	0	0	112.3	K557 M560 I811 C812	K557-M815 HydrophobicContact CB-CE 4.36Å; K557-M815 HydrophobicContact CD-SD 4.3Å; K557-M815 HydrophobicContact CG-CE 4.14Å; K557-M815 HydrophobicContact CG-SD 3.79Å; M560-M815 HydrophobicContact CB-CE 3.9Å; M560-M815 HydrophobicContact CE-CE 4.47Å; M560-M815 HydrophobicContact SD-CE 4.16Å; I811-M815 HydrophobicContact CG2-CE 4.41Å; I811-M815 HydrophobicContact CG2-CG 4.35Å; I811-M815 WeakPolarHBondContact O-CB 3.31Å; I811-M815 WeakPolarHBondContact O-CG 3.26Å; I811-M815 PolarHBondContact O-N 3.06Å; C812-M815 PolarHBondContact O-N 2.91Å
816	A	63.2	Low	70.7	Confident	133 Å²	133	83.2 Å²	83.2	100%	1.099	50%	0.502	S	S	*	.			trans	-71.4	0	168.5	0	0	0	0	0	110.3	C812	C812-A816 PolarHBondContact O-N 2.94Å

Retrieved 816 of 816 residues in 246.3 ms (Link to these results)

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