A0A087XI78_POEFO Loading...

Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1

AlphaFold DB , UniProt , Accession A0A087XI78, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 889 aa.

						>A0A087XI78_POEFO|A0A087XI78
MLGCVTRLRRLVRLLPLQTSLLILFLFCTVSVFIFSYFLYGVKREPEPSAVGLSGPDGASADSDYPRVVPSRLLPVRSVPGASGVDLGGTRTDPVVLVFVESQYSQLGQEIVAILESGRFKYRTEISPGKGDMPTLTDKERGRFTLVIYENILKYVNLDAWNRELLDKYCVEYGVGIIGFFKANENSLLSAQLKGFPLFLHSNLGLKDCMVNPKSPLLLITRAGQTLPGPLPGDDWTVFQSNHSTYEPVLMAKTQSAESVASLGQNAAMLPSVVQDLGLHDGIQRVLFGNNLNFWLHKLVFVDAVAFLTGKRLSLSLERYILVDIDDIFVGKEGTRMKVPDVKALLETQRELRTHVPNFTFNLGFSGKFFHAGSDEEDLGDDLLLSHVKDFWWFPHMWSHMQPHLFHNQSVLAEQMLLNKKFAMEHGIPTNMGYAVAPHHSGVYPVHMQLYDAWKKVWGIKVTSTEEYPHLKPARFRRGFIHSGISVLPRQTCGLFTHTIFYKDYPGSPNELDKLINGGELFLTVLLNPISIFMTHLSNYGNDRLGLYTFKSLVMFVKTWTNLKMQTLPPIQLAQKYFSLFPSERDPLWQDPCEDKRHKDIWSKEKTCDRFPKLLVIGPQKTGTTALYLFLGMHPDLTSNYPSKETFEEIQFFNGHNYHRGIDWYMEYFPLPSNTSSDYYFEKSANYFDSEVAAQRAAALLPKAKIITILINPADRAYSWYQHQRAHDDPVALKYSFNKVITAARDAPIKLRVLQNRCLVPGWYAVHLERWLNHYHSSQLLVLDGQMLKTEPASVMDKIQKFLGLPNVINYHKILAFDPKKGFWCQLLEGGKTKCLGKSKGRRYPDMDPESQEFLREYYRDHNIELSKLLYRMGQPLPSWLREELVHTR
					

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(Predicted Aligned Error values between residue pairs)

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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	44.8	Very low	42.3	Very low	222 Å²	222	144 Å²	144	100%	1.094	72%	0.719	S	S	*	*				0	-9.3	0	-83.3	-143.7	-94.2	0	0	115.8
2	L	37.3	Very low	42.9	Very low	160 Å²	160	140 Å²	140	84%	0.838	71%	0.707	S	S	*	*			trans	-85	-10.9	175.2	-92.8	85.2	0	0	0	115.5
3	G	36.3	Very low	43.4	Very low	53 Å²	53	147.3 Å²	147.3	55%	0.546	72%	0.721	S	S	.	*	H	α-helix	trans	-84.6	-22.3	-178.6	0	0	0	0	0	115.9	T6	G3-T6 PolarHBondContact O-OG1 3.46Å
4	C	36.9	Very low	43.6	Very low	100 Å²	100	147.9 Å²	147.9	68%	0.676	73%	0.728	S	S	*	*	H	α-helix	trans	-82.2	-30.1	179	-84.2	0	0	0	0	113.1	T6 R7 L8	C4-T6 PolarHBondContact O-N 3.39Å; C4-R7 PolarHBondContact O-N 3.32Å; C4-L8 PolarHBondContact O-N 2.86Å
5	V	47.1	Very low	44.5	Very low	91 Å²	91	142.4 Å²	142.4	55%	0.552	70%	0.702	S	S	*	*	H	α-helix	trans	-72.6	-30.6	-175.2	-176.7	0	0	0	0	111.8	R9	V5-R9 PolarHBondContact O-N 3.26Å
6	T	42.8	Very low	46.3	Very low	92 Å²	92	138.6 Å²	138.6	56%	0.564	69%	0.691	S	S	*	*	H	α-helix	trans	-77.4	-29.4	176.8	40.4	0	0	0	0	113.2	G3 C4	G3-T6 PolarHBondContact O-OG1 3.46Å; C4-T6 PolarHBondContact O-N 3.39Å
7	R	40.8	Very low	47.7	Very low	205 Å²	205	138.7 Å²	138.7	77%	0.774	69%	0.694	S	S	*	*	H	α-helix	trans	-71.9	-37.1	171.7	-87.7	-175.3	173.9	-175.1	-1.1	112.5	C4 R10	C4-R7 PolarHBondContact O-N 3.32Å; R7-R10 PolarHBondContact O-N 2.95Å
8	L	45.1	Very low	48.8	Very low	125 Å²	125	139.7 Å²	139.7	65%	0.654	70%	0.696	S	S	*	*	H	α-helix	trans	-66	-38.7	176.2	-123.3	84.9	0	0	0	112.6	C4 R10 L11 V12	C4-L8 PolarHBondContact O-N 2.86Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 2.91Å; L8-L11 PolarHBondContact O-N 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.36Å; L8-V12 PolarHBondContact O-N 2.8Å
9	R	44.5	Very low	49.9	Very low	197 Å²	197	135.4 Å²	135.4	74%	0.743	68%	0.678	S	S	*	*	H	α-helix	trans	-64.8	-25.2	178.5	-93	-177.1	170.2	179.9	-1.9	114.4	V5	V5-R9 PolarHBondContact O-N 3.26Å
10	R	45.1	Very low	50.8	Low	212 Å²	212	131.2 Å²	131.2	80%	0.8	66%	0.662	S	S	*	*	H	α-helix	trans	-81.2	-28.9	175.8	-90.8	-174.5	175.8	-175.7	-0.8	113.2	R7 L8	R7-R10 PolarHBondContact O-N 2.95Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 2.91Å
11	L	44.6	Very low	51.8	Low	127 Å²	127	130 Å²	130	67%	0.665	66%	0.657	S	S	*	*	H	α-helix	trans	-72.3	-32.1	176.3	-102.9	128.2	0	0	0	112.9	L8 R13	L8-L11 PolarHBondContact O-N 3.3Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 2.7Å
12	V	49.3	Very low	53.5	Low	96 Å²	96	125.4 Å²	125.4	58%	0.582	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-75.6	-17.8	-177.2	178.5	0	0	0	0	113.3	L8 L14	L8-V12 WeakPolarHBondContact O-CG2 3.36Å; L8-V12 PolarHBondContact O-N 2.8Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 2.78Å
13	R	49	Very low	55.5	Low	235 Å²	235	122 Å²	122	89%	0.887	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-83.3	-0.8	179.8	-84.5	-173.5	176	-177	-1.4	115.2	L11	L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 2.7Å
14	L	47.1	Very low	57.3	Low	156 Å²	156	124.9 Å²	124.9	82%	0.817	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-122.2	9.9	-178.3	-83.8	158.6	0	0	0	113.7	V12	V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 2.78Å
15	L	56.2	Low	59.6	Low	65 Å²	65	127.4 Å²	127.4	34%	0.34	62%	0.62	S	S	.	*			trans	-90.2	126.3	-179.9	-86.5	145.6	0	0	0	111.1	T19	L15-T19 HydrophobicContact CD2-CG2 3.48Å; L15-T19 VanDerWaalsContact CD2-CG2 3.48Å
16	P	74.6	Confident	61.4	Low	82 Å²	82	128.5 Å²	128.5	53%	0.532	62%	0.622	S	S	.	*			trans	-57.7	147.5	171.9	-21.4	31.6	0	0	0	111.5	Q18 T19 S20	P16-Q18 PolarHBondContact O-N 3.43Å; P16-T19 PolarHBondContact O-N 2.83Å; P16-S20 PolarHBondContact O-N 3.11Å
17	L	68.9	Low	63.2	Low	140 Å²	140	131.7 Å²	131.7	73%	0.733	63%	0.629	S	S	*	*	H	α-helix	trans	-50.4	-37.5	-176.7	-169.6	75.6	0	0	0	113.2	T19 S20 L21	L17-T19 VanDerWaalsContact C-N 3.34Å; L17-T19 PolarHBondContact O-N 3.04Å; L17-S20 PolarHBondContact O-N 2.79Å; L17-L21 HydrophobicContact CG-CD1 4.36Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.04Å; L17-L21 VanDerWaalsContact O-N 3.08Å
18	Q	67.3	Low	64.8	Low	157 Å²	157	125.4 Å²	125.4	73%	0.734	62%	0.615	S	S	*	*	H	α-helix	trans	-62.4	-38.2	177.8	-73.8	178.5	-30.3	0	0	112.8	P16 L21 L22	P16-Q18 PolarHBondContact O-N 3.43Å; Q18-L21 PolarHBondContact O-N 2.03Å; Q18-L22 PolarHBondContact O-N 3.08Å; Q18-L22 VanDerWaalsContact O-N 3.14Å
19	T	69.6	Low	66.4	Low	57 Å²	57	121.9 Å²	121.9	35%	0.35	60%	0.599	S	S	.	*	H	α-helix	trans	-75	-34.5	-179.7	-33.5	0	0	0	0	111.4	L15 P16 L17 L22 I23	L15-T19 HydrophobicContact CD2-CG2 3.48Å; L15-T19 VanDerWaalsContact CD2-CG2 3.48Å; P16-T19 PolarHBondContact O-N 2.83Å; L17-T19 VanDerWaalsContact C-N 3.34Å; L17-T19 PolarHBondContact O-N 3.04Å; T19-L22 PolarHBondContact O-N 2.94Å; T19-I23 WeakPolarHBondContact O-CG1 3.43Å; T19-I23 PolarHBondContact O-N 2.85Å; T19-I23 VanDerWaalsContact O-N 3.1Å
20	S	69.6	Low	68.2	Low	51 Å²	51	116.2 Å²	116.2	36%	0.357	59%	0.586	S	S	.	*	H	α-helix	trans	-64.6	-39.8	172.9	-60	0	0	0	0	112.3	P16 L17 I23 L24	P16-S20 PolarHBondContact O-N 3.11Å; L17-S20 PolarHBondContact O-N 2.79Å; S20-I23 PolarHBondContact O-N 2.88Å; S20-L24 WeakPolarHBondContact O-CB 3.4Å; S20-L24 PolarHBondContact O-N 2.79Å
21	L	71.8	Confident	69.7	Low	107 Å²	107	109.3 Å²	109.3	56%	0.56	57%	0.57	S	S	*	*	H	α-helix	trans	-65.3	-38.8	175.5	-74.1	166.7	0	0	0	112.1	L17 Q18 L24 F25	L17-L21 HydrophobicContact CG-CD1 4.36Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.04Å; L17-L21 VanDerWaalsContact O-N 3.08Å; Q18-L21 PolarHBondContact O-N 2.03Å; L21-L24 PolarHBondContact O-N 2.98Å; L21-F25 WeakPolarHBondContact O-CB 3.38Å; L21-F25 PolarHBondContact O-N 3.02Å
22	L	79.9	Confident	71.3	Confident	125 Å²	125	107.7 Å²	107.7	65%	0.654	57%	0.565	S	S	*	*	H	α-helix	trans	-65.4	-41.5	177.7	-122	141.1	0	0	0	112.4	Q18 T19 F25 L26	Q18-L22 PolarHBondContact O-N 3.08Å; Q18-L22 VanDerWaalsContact O-N 3.14Å; T19-L22 PolarHBondContact O-N 2.94Å; L22-F25 PolarHBondContact O-N 3.23Å; L22-L26 PolarHBondContact O-N 3.48Å
23	I	78.8	Confident	72.5	Confident	89 Å²	89	110.8 Å²	110.8	46%	0.456	57%	0.571	S	S	.	*	H	α-helix	trans	-66.9	-40	175.8	-67.2	168.1	0	0	0	110.8	T19 S20 L26 F27	T19-I23 WeakPolarHBondContact O-CG1 3.43Å; T19-I23 PolarHBondContact O-N 2.85Å; T19-I23 VanDerWaalsContact O-N 3.1Å; S20-I23 PolarHBondContact O-N 2.88Å; I23-L26 PolarHBondContact O-N 2.83Å; I23-F27 PolarHBondContact O-N 3.27Å
24	L	75.4	Confident	73.6	Confident	114 Å²	114	104.1 Å²	104.1	60%	0.597	55%	0.552	S	S	*	*	H	α-helix	trans	-62.7	-44.4	176.7	-156.7	88.2	0	0	0	111.1	S20 L21 L26 F27 C28	S20-L24 WeakPolarHBondContact O-CB 3.4Å; S20-L24 PolarHBondContact O-N 2.79Å; L21-L24 PolarHBondContact O-N 2.98Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L24-L26 PolarHBondContact O-N 3.23Å; L24-F27 PolarHBondContact O-N 3.22Å; L24-C28 PolarHBondContact O-N 3.31Å; L24-C28 PolarHBondContact O-SG 3.41Å; L24-C28 VanDerWaalsContact O-SG 3.37Å
25	F	84.5	Confident	74.2	Confident	153 Å²	153	103.7 Å²	103.7	67%	0.671	54%	0.544	S	S	*	.	H	α-helix	trans	-61.2	-43.7	176.8	-165.6	-94	0	0	0	111.4	L21 L22 F27 C28 T29	L21-F25 WeakPolarHBondContact O-CB 3.38Å; L21-F25 PolarHBondContact O-N 3.02Å; L22-F25 PolarHBondContact O-N 3.23Å; F25-F27 PolarHBondContact O-N 2.87Å; F25-C28 PolarHBondContact O-N 3.02Å; F25-T29 HydrophobicContact CD1-CG2 4.06Å; F25-T29 HydrophobicContact CE1-CG2 3.8Å; F25-T29 HydrophobicContact CZ-CG2 4.39Å; F25-T29 WeakPolarHBondContact O-CG2 3.37Å; F25-T29 PolarHBondContact O-N 2.98Å; F25-T29 PolarHBondContact O-OG1 3.07Å
26	L	83.6	Confident	74.1	Confident	113 Å²	113	103.1 Å²	103.1	59%	0.592	55%	0.545	S	S	*	.	H	α-helix	trans	-60.5	-44.3	176.4	-151	85.9	0	0	0	111.5	L22 I23 L24 C28 T29 V30	L22-L26 PolarHBondContact O-N 3.48Å; I23-L26 PolarHBondContact O-N 2.83Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L24-L26 PolarHBondContact O-N 3.23Å; L26-C28 PolarHBondContact O-N 3.28Å; L26-T29 WeakPolarHBondContact CA-OG1 3.47Å; L26-T29 PolarHBondContact O-N 2.91Å; L26-T29 PolarHBondContact O-OG1 3.11Å; L26-V30 WeakPolarHBondContact O-CG2 3.45Å; L26-V30 PolarHBondContact O-N 3.11Å
27	F	82.6	Confident	73.4	Confident	160 Å²	160	107.4 Å²	107.4	70%	0.702	55%	0.552	S	S	*	*	H	α-helix	trans	-62.7	-41.9	177.4	-121.6	-86.3	0	0	0	112.4	I23 L24 F25 S31	I23-F27 PolarHBondContact O-N 3.27Å; L24-F27 PolarHBondContact O-N 3.22Å; F25-F27 PolarHBondContact O-N 2.87Å; F27-S31 WeakPolarHBondContact O-CB 3Å; F27-S31 PolarHBondContact O-N 3.02Å
28	C	72.5	Confident	72.7	Confident	73 Å²	73	107.8 Å²	107.8	49%	0.493	55%	0.548	S	S	.	.	H	α-helix	trans	-62.9	-44.5	175.6	-71.7	0	0	0	0	111.7	L24 F25 L26 S31 V32	L24-C28 PolarHBondContact O-N 3.31Å; L24-C28 PolarHBondContact O-SG 3.41Å; L24-C28 VanDerWaalsContact O-SG 3.37Å; F25-C28 PolarHBondContact O-N 3.02Å; L26-C28 PolarHBondContact O-N 3.28Å; C28-S31 PolarHBondContact O-N 3.35Å; C28-V32 WeakPolarHBondContact O-CG2 3.41Å; C28-V32 PolarHBondContact O-N 3.2Å
29	T	79.6	Confident	71.8	Confident	51 Å²	51	106.2 Å²	106.2	31%	0.313	54%	0.544	S	S	.	.	H	α-helix	trans	-64	-42.9	178.6	55.8	0	0	0	0	112.5	F25 L26 S31 V32 F33	F25-T29 HydrophobicContact CD1-CG2 4.06Å; F25-T29 HydrophobicContact CE1-CG2 3.8Å; F25-T29 HydrophobicContact CZ-CG2 4.39Å; F25-T29 WeakPolarHBondContact O-CG2 3.37Å; F25-T29 PolarHBondContact O-N 2.98Å; F25-T29 PolarHBondContact O-OG1 3.07Å; L26-T29 WeakPolarHBondContact CA-OG1 3.47Å; L26-T29 PolarHBondContact O-N 2.91Å; L26-T29 PolarHBondContact O-OG1 3.11Å; T29-S31 VanDerWaalsContact C-N 3.33Å; T29-S31 PolarHBondContact O-N 3.02Å; T29-V32 PolarHBondContact O-N 3.46Å; T29-F33 WeakPolarHBondContact O-CD2 3.39Å; T29-F33 PolarHBondContact O-N 3.4Å
30	V	82.8	Confident	70.6	Confident	77 Å²	77	113.5 Å²	113.5	47%	0.467	57%	0.567	S	S	.	*	H	α-helix	trans	-63.5	-40.2	176.3	173.1	0	0	0	0	111.2	L26 V32 F33 I34	L26-V30 WeakPolarHBondContact O-CG2 3.45Å; L26-V30 PolarHBondContact O-N 3.11Å; V30-V32 VanDerWaalsContact C-N 3.33Å; V30-V32 PolarHBondContact O-N 3.06Å; V30-F33 PolarHBondContact O-N 3.35Å; V30-I34 HydrophobicContact CG1-CD1 3.84Å; V30-I34 HydrophobicContact CG1-CG1 4.42Å; V30-I34 WeakPolarHBondContact O-CG1 3.05Å; V30-I34 PolarHBondContact O-N 3.42Å
31	S	75.6	Confident	69.2	Low	68 Å²	68	113.8 Å²	113.8	48%	0.476	58%	0.578	S	S	.	*	H	α-helix	trans	-61.1	-41	176	-174.1	0	0	0	0	112.2	F27 C28 T29 I34 F35	F27-S31 WeakPolarHBondContact O-CB 3Å; F27-S31 PolarHBondContact O-N 3.02Å; C28-S31 PolarHBondContact O-N 3.35Å; T29-S31 VanDerWaalsContact C-N 3.33Å; T29-S31 PolarHBondContact O-N 3.02Å; S31-I34 PolarHBondContact O-N 3.15Å; S31-F35 WeakPolarHBondContact O-CB 3.39Å; S31-F35 PolarHBondContact O-N 3.1Å
32	V	79.5	Confident	67.5	Low	93 Å²	93	114 Å²	114	56%	0.564	58%	0.583	S	S	*	*	H	α-helix	trans	-65.5	-43.5	177.1	172.2	0	0	0	0	110.7	C28 T29 V30 I34 F35 S36	C28-V32 WeakPolarHBondContact O-CG2 3.41Å; C28-V32 PolarHBondContact O-N 3.2Å; T29-V32 PolarHBondContact O-N 3.46Å; V30-V32 VanDerWaalsContact C-N 3.33Å; V30-V32 PolarHBondContact O-N 3.06Å; V32-I34 PolarHBondContact O-N 3.49Å; V32-F35 PolarHBondContact O-N 3.18Å; V32-S36 PolarHBondContact O-N 2.89Å; V32-S36 PolarHBondContact O-OG 3.18Å
33	F	74.4	Confident	65.1	Low	161 Å²	161	117.9 Å²	117.9	71%	0.706	60%	0.595	S	S	*	*	H	α-helix	trans	-62.6	-41	177.3	-92.9	-79.6	0	0	0	113	T29 V30 S36 Y37	T29-F33 WeakPolarHBondContact O-CD2 3.39Å; T29-F33 PolarHBondContact O-N 3.4Å; V30-F33 PolarHBondContact O-N 3.35Å; F33-S36 PolarHBondContact O-N 3.44Å; F33-Y37 WeakPolarHBondContact O-CB 3.34Å; F33-Y37 PolarHBondContact O-N 3.35Å
34	I	72.3	Confident	63	Low	94 Å²	94	124.7 Å²	124.7	48%	0.482	62%	0.615	S	S	.	*	H	α-helix	trans	-64.8	-42.4	175.7	-67.3	169.9	0	0	0	110.2	V30 S31 V32 Y37 F38	V30-I34 HydrophobicContact CG1-CD1 3.84Å; V30-I34 HydrophobicContact CG1-CG1 4.42Å; V30-I34 WeakPolarHBondContact O-CG1 3.05Å; V30-I34 PolarHBondContact O-N 3.42Å; S31-I34 PolarHBondContact O-N 3.15Å; V32-I34 PolarHBondContact O-N 3.49Å; I34-Y37 PolarHBondContact O-N 3.37Å; I34-F38 HydrophobicContact CG2-CD2 4.05Å; I34-F38 HydrophobicContact CG2-CE2 4.15Å; I34-F38 WeakPolarHBondContact O-CD2 3.5Å; I34-F38 PolarHBondContact O-N 3.42Å; I34-F38 VanDerWaalsContact O-N 3.16Å
35	F	59.2	Low	60.7	Low	147 Å²	147	128.4 Å²	128.4	65%	0.645	63%	0.629	S	S	*	*	H	α-helix	trans	-64.9	-42.4	178.7	-130.3	-91	0	0	0	112.2	S31 V32 Y37 F38 L39	S31-F35 WeakPolarHBondContact O-CB 3.39Å; S31-F35 PolarHBondContact O-N 3.1Å; V32-F35 PolarHBondContact O-N 3.18Å; F35-Y37 VanDerWaalsContact C-N 3.35Å; F35-Y37 PolarHBondContact O-N 3.29Å; F35-F38 PolarHBondContact O-N 3.22Å; F35-L39 HydrophobicContact CD1-CD1 3.84Å; F35-L39 HydrophobicContact CE1-CD1 4.39Å; F35-L39 PolarHBondContact O-N 2.76Å
36	S	54.3	Low	58.2	Low	53 Å²	53	127 Å²	127	37%	0.371	64%	0.635	S	S	.	*	H	α-helix	trans	-64.1	-37.6	174.6	-66.5	0	0	0	0	112.3	V32 F33 F38 L39 Y40	V32-S36 PolarHBondContact O-N 2.89Å; V32-S36 PolarHBondContact O-OG 3.18Å; F33-S36 PolarHBondContact O-N 3.44Å; S36-F38 PolarHBondContact O-N 2.97Å; S36-L39 PolarHBondContact O-N 3.15Å; S36-Y40 WeakPolarHBondContact O-CD2 3.23Å; S36-Y40 PolarHBondContact O-N 2.94Å; S36-Y40 VanDerWaalsContact O-N 3.14Å
37	Y	60	Low	55.5	Low	173 Å²	173	130.6 Å²	130.6	68%	0.678	65%	0.649	S	S	*	*	H	α-helix	trans	-62	-41.5	175.8	-178.6	-98.5	0	0	0	112.4	F33 I34 F35 G41	F33-Y37 WeakPolarHBondContact O-CB 3.34Å; F33-Y37 PolarHBondContact O-N 3.35Å; I34-Y37 PolarHBondContact O-N 3.37Å; F35-Y37 VanDerWaalsContact C-N 3.35Å; F35-Y37 PolarHBondContact O-N 3.29Å; Y37-G41 PolarHBondContact O-N 3.34Å
38	F	53.1	Low	53	Low	147 Å²	147	128.2 Å²	128.2	65%	0.645	65%	0.65	S	S	*	*	H	α-helix	trans	-75.3	-27.5	178.1	-84.4	-77	0	0	0	114	I34 F35 S36	I34-F38 HydrophobicContact CG2-CD2 4.05Å; I34-F38 HydrophobicContact CG2-CE2 4.15Å; I34-F38 WeakPolarHBondContact O-CD2 3.5Å; I34-F38 PolarHBondContact O-N 3.42Å; I34-F38 VanDerWaalsContact O-N 3.16Å; F35-F38 PolarHBondContact O-N 3.22Å; S36-F38 PolarHBondContact O-N 2.97Å
39	L	48.8	Very low	50.7	Low	125 Å²	125	130.1 Å²	130.1	65%	0.654	66%	0.664	S	S	*	*	H	α-helix	trans	-75.2	-31	176.5	-84.2	162.6	0	0	0	113.3	F35 S36	F35-L39 HydrophobicContact CD1-CD1 3.84Å; F35-L39 HydrophobicContact CE1-CD1 4.39Å; F35-L39 PolarHBondContact O-N 2.76Å; S36-L39 PolarHBondContact O-N 3.15Å
40	Y	45.1	Very low	48.2	Very low	209 Å²	209	132.8 Å²	132.8	82%	0.82	69%	0.691	S	S	*	*	H	α-helix	trans	-102.6	-10.7	-178	-75.6	-84.3	0	0	0	114.4	S36	S36-Y40 WeakPolarHBondContact O-CD2 3.23Å; S36-Y40 PolarHBondContact O-N 2.94Å; S36-Y40 VanDerWaalsContact O-N 3.14Å
41	G	39.2	Very low	45.6	Very low	57 Å²	57	136.1 Å²	136.1	59%	0.588	71%	0.711	S	S	*	*	S	Bend	trans	-84.1	-6.1	-174.2	0	0	0	0	0	116.9	Y37	Y37-G41 PolarHBondContact O-N 3.34Å
42	V	36.3	Very low	43.2	Very low	112 Å²	112	135.8 Å²	135.8	68%	0.679	72%	0.719	S	S	*	*			trans	-108.9	90.4	-177.6	-174.4	0	0	0	0	110.5	R44	V42-R44 PolarHBondContact O-N 3.26Å
43	K	30.2	Very low	40.6	Very low	206 Å²	206	139.7 Å²	139.7	90%	0.896	74%	0.735	S	S	*	*			trans	-64.5	123.6	164	-80.3	-179.4	173.3	-178.6	0	109.4
44	R	33.9	Very low	38.4	Very low	233 Å²	233	137.3 Å²	137.3	88%	0.879	74%	0.739	S	S	*	*			trans	-110.4	117.8	159.1	-85.8	-175.2	171.9	178.7	-2.6	108.2	V42	V42-R44 PolarHBondContact O-N 3.26Å
45	E	28.6	Very low	36.2	Very low	192 Å²	192	136.3 Å²	136.3	90%	0.897	75%	0.752	S	S	*	*			trans	-66.4	143.1	170	-70.4	178.8	155.9	0	0	110.7
46	P	31.5	Very low	35	Very low	122 Å²	122	134.9 Å²	134.9	79%	0.792	76%	0.757	S	S	*	*			trans	-100.5	135.2	168.3	33.8	-24.6	0	0	0	111.3
47	E	26.8	Very low	33.7	Very low	190 Å²	190	140.6 Å²	140.6	89%	0.888	78%	0.784	S	S	*	*			trans	-133	158.9	169.1	-112.3	-154.2	-177.3	0	0	110.1
48	P	28.8	Very low	32	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	79%	0.79	S	S	*	*				-109.3	160.4	-111.6	9.3	11.9	0	0	0	115.1
49	S	25.8	Very low	30.7	Very low	113 Å²	113	134 Å²	134	79%	0.79	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-63.4	129.7	170.5	41.9	0	0	0	0	113.5
50	A	26.6	Very low	29.5	Very low	107 Å²	107	133.8 Å²	133.8	88%	0.884	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-93.1	119.9	165.6	0	0	0	0	0	110.5
51	V	26.9	Very low	28.6	Very low	146 Å²	146	128.6 Å²	128.6	89%	0.885	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-89	140	166.6	172.9	0	0	0	0	108
52	G	25.4	Very low	27.9	Very low	62 Å²	62	133.8 Å²	133.8	64%	0.639	82%	0.823	S	S	*	*			trans	-179.5	87.5	172.1	0	0	0	0	0	116.7
53	L	26.1	Very low	27.3	Very low	174 Å²	174	133.7 Å²	133.7	91%	0.911	83%	0.828	S	S	*	*			trans	81.5	120.1	135.5	-69.2	140.3	0	0	0	121.5
54	S	27	Very low	27	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	83%	0.825	S	S	*	*			trans	-62.9	152.7	164.8	48.8	0	0	0	0	115.3
55	G	26.5	Very low	26.5	Very low	73 Å²	73	131.4 Å²	131.4	75%	0.753	83%	0.827	S	S	*	*			trans	-166.9	122.4	158	0	0	0	0	0	110.4
56	P	33.5	Very low	26.4	Very low	117 Å²	117	127.4 Å²	127.4	76%	0.76	82%	0.818	S	S	*	*			trans	-94.9	150.7	-172.1	36.8	-30.6	0	0	0	111.3
57	D	27.8	Very low	26.3	Very low	173 Å²	173	133.5 Å²	133.5	93%	0.925	83%	0.825	S	S	*	*			trans	-154	125	151.6	-92.4	-33.9	0	0	0	110.1
58	G	24.7	Very low	26.2	Very low	78 Å²	78	130.7 Å²	130.7	80%	0.804	82%	0.82	S	S	*	*			trans	-91.1	155.4	177.6	0	0	0	0	0	112.1
59	A	25.4	Very low	26.1	Very low	104 Å²	104	131.1 Å²	131.1	86%	0.86	82%	0.821	S	S	*	*			trans	-156.2	116	151.4	0	0	0	0	0	109
60	S	24.5	Very low	26.3	Very low	120 Å²	120	131.7 Å²	131.7	84%	0.839	82%	0.822	S	S	*	*			trans	-65	139.7	168.4	50.5	0	0	0	0	112.1
61	A	26	Very low	26.3	Very low	100 Å²	100	131.8 Å²	131.8	83%	0.826	82%	0.816	S	S	*	*			trans	-152.3	110.5	151.3	0	0	0	0	0	110.4
62	D	23	Very low	26.5	Very low	166 Å²	166	136 Å²	136	89%	0.888	82%	0.816	S	S	*	*			trans	-55.1	142.8	159.8	-99.7	-35.6	0	0	0	111.1
63	S	24.6	Very low	27	Very low	110 Å²	110	140.8 Å²	140.8	77%	0.769	83%	0.826	S	S	*	*				-179.7	124.8	129.4	34.9	0	0	0	0	113.3
64	D	24.5	Very low	27	Very low	157 Å²	157	140.6 Å²	140.6	84%	0.84	83%	0.825	S	S	*	*			trans	50.2	104.8	142.3	-74.5	-23	0	0	0	121.5
65	Y	23.5	Very low	27	Very low	233 Å²	233	140.8 Å²	140.8	91%	0.914	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.7	128.7	154.3	-80.3	-89.8	0	0	0	111.4
66	P	26.3	Very low	27.3	Very low	109 Å²	109	143.9 Å²	143.9	71%	0.708	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-92	126	148.4	12.4	5.2	0	0	0	109.8	V68	P66-V68 PolarHBondContact O-N 3.08Å
67	R	28	Very low	26.9	Very low	250 Å²	250	149.9 Å²	149.9	94%	0.943	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-51.8	122.1	167.4	-73.8	172.8	169.6	168.4	-3.2	110.6
68	V	24.6	Very low	26.7	Very low	131 Å²	131	147 Å²	147	79%	0.794	83%	0.828	S	S	*	*			trans	-112.3	121.1	168.9	180	0	0	0	0	109.8	P66	P66-V68 PolarHBondContact O-N 3.08Å
69	V	28.2	Very low	26.8	Very low	119 Å²	119	149.7 Å²	149.7	72%	0.721	83%	0.829	S	S	*	*			trans	-77.3	140.8	171.3	177.7	0	0	0	0	108.7	S71	V69-S71 PolarHBondContact O-N 3.27Å
70	P	29.5	Very low	26.8	Very low	125 Å²	125	150.9 Å²	150.9	81%	0.812	83%	0.827	S	S	*	*			trans	-72.9	120.8	-168.1	27.2	-33	0	0	0	112.4
71	S	26.7	Very low	26.9	Very low	108 Å²	108	149 Å²	149	76%	0.755	83%	0.828	S	S	*	*			trans	-103.3	113.1	173.6	-23.3	0	0	0	0	110.7	V69	V69-S71 PolarHBondContact O-N 3.27Å
72	R	31.2	Very low	26.9	Very low	235 Å²	235	149.1 Å²	149.1	89%	0.887	83%	0.828	S	S	*	*			trans	4.7	128.1	148.3	-62.8	175.1	176.8	177.9	-1.7	117.8
73	L	35	Very low	27.1	Very low	163 Å²	163	147.2 Å²	147.2	85%	0.853	83%	0.828	S	S	*	*			trans	27.3	108.8	145	-70.1	160.9	0	0	0	116.1	P75	L73-P75 VanDerWaalsContact O-CD 3.27Å; L73-P75 WeakPolarHBondContact O-CD 3.32Å
74	L	26.7	Very low	27.6	Very low	170 Å²	170	145.5 Å²	145.5	89%	0.89	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-59.2	119.7	163.2	-74.7	169.2	0	0	0	109.4
75	P	26.3	Very low	27.8	Very low	115 Å²	115	144.6 Å²	144.6	75%	0.747	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-72.5	137.8	173	-7.7	23.9	0	0	0	109.6	L73 R77	L73-P75 VanDerWaalsContact O-CD 3.27Å; L73-P75 WeakPolarHBondContact O-CD 3.32Å; P75-R77 PolarHBondContact O-N 2.87Å
76	V	33.1	Very low	28.2	Very low	139 Å²	139	140.9 Å²	140.9	84%	0.842	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-54.7	121.7	162.5	176.3	0	0	0	0	108.1	S78	V76-S78 PolarHBondContact O-N 3.32Å
77	R	25.5	Very low	28.6	Very low	243 Å²	243	144.6 Å²	144.6	92%	0.917	84%	0.837	S	S	*	*			trans	-56.3	108.3	175.3	-120.2	176.9	174.5	175.4	-1.8	109	P75	P75-R77 PolarHBondContact O-N 2.87Å
78	S	23.3	Very low	29	Very low	111 Å²	111	136.3 Å²	136.3	78%	0.776	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-94.5	124.6	164.3	46.2	0	0	0	0	108.3	V76	V76-S78 PolarHBondContact O-N 3.32Å
79	V	26.8	Very low	30.1	Very low	136 Å²	136	133.5 Å²	133.5	82%	0.824	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-87.4	128	170.7	-179.9	0	0	0	0	107.3
80	P	26.5	Very low	31.7	Very low	128 Å²	128	131.4 Å²	131.4	83%	0.831	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-85.5	127.9	177.6	9.4	6.5	0	0	0	111
81	G	26.2	Very low	34.4	Very low	82 Å²	82	133.6 Å²	133.6	85%	0.845	81%	0.806	S	S	*	*			trans	127.5	79.3	160.8	0	0	0	0	0	115.5
82	A	25.2	Very low	37.6	Very low	101 Å²	101	128.6 Å²	128.6	84%	0.835	77%	0.771	S	S	*	*			trans	-170.7	109.3	147	0	0	0	0	0	108.9	G84	A82-G84 PolarHBondContact O-N 3.08Å
83	S	26.8	Very low	40.5	Very low	126 Å²	126	119.5 Å²	119.5	88%	0.881	74%	0.74	S	S	*	*			trans	-68.2	120.4	170.9	45.6	0	0	0	0	110.7
84	G	36.2	Very low	43.3	Very low	74 Å²	74	114.8 Å²	114.8	76%	0.763	72%	0.719	S	S	*	*	S	Bend	trans	75.4	74.1	151.2	0	0	0	0	0	118.1	A82	A82-G84 PolarHBondContact O-N 3.08Å
85	V	29	Very low	46.7	Very low	139 Å²	139	108 Å²	108	84%	0.842	69%	0.685	S	S	*	*			trans	-151	137.2	151.6	-172.5	0	0	0	0	108.4
86	D	30.4	Very low	50.1	Low	155 Å²	155	102.6 Å²	102.6	83%	0.829	65%	0.649	S	S	*	*			trans	0.9	132.2	173.5	-75.5	-34.9	0	0	0	120.9	G88	D86-G88 PolarHBondContact O-N 3.25Å
87	L	34.5	Very low	53.2	Low	187 Å²	187	96 Å²	96	98%	0.979	61%	0.609	S	S	*	*			trans	-66	69.5	166.1	-88.9	149.5	0	0	0	112.2
88	G	37.9	Very low	56.6	Low	76 Å²	76	84.4 Å²	84.4	78%	0.784	57%	0.565	S	S	*	*			trans	-94.9	49.1	171.4	0	0	0	0	0	113.5	D86	D86-G88 PolarHBondContact O-N 3.25Å
89	G	46.7	Very low	60.1	Low	72 Å²	72	79.1 Å²	79.1	74%	0.742	53%	0.529	S	S	*	.			trans	-106.9	19.4	-165	0	0	0	0	0	117.8
90	T	61.7	Low	63.4	Low	75 Å²	75	73 Å²	73	46%	0.46	49%	0.492	S	S	.	.			trans	-115.4	115.1	178.5	55.8	0	0	0	0	111.7	T92	T90-T92 VanDerWaalsContact C-N 3.26Å; T90-T92 PolarHBondContact O-N 3.37Å
91	R	86.5	Confident	66.4	Low	171 Å²	171	71.3 Å²	71.3	65%	0.645	47%	0.473	S	S	*	.	S	Bend	trans	-73.5	-13.1	178.7	-64.6	-173.6	176.1	-175.7	-3.9	114.1	G142 E172 Y173	R91-G142 PolarHBondContact O-N 3.29Å; R91-E172 PolarHBondContact NH1-O 3.05Å; R91-Y173 HydrophobicContact CB-CD1 3.81Å; R91-Y173 HydrophobicContact CB-CE1 4.26Å; R91-Y173 WeakPolarHBondContact O-CD1 3.45Å
92	T	93.1	Very high	69.6	Low	2 Å²	2	69.7 Å²	69.7	1%	0.012	45%	0.448	C	S	.	.	B	Isolated β-bridge	trans	-129	149.1	-178	48.6	0	0	0	0	113.7	T90 G142 F144 Y173 V175 R312	T90-T92 VanDerWaalsContact C-N 3.26Å; T90-T92 PolarHBondContact O-N 3.37Å; T92-G142 CarbonylContact C-O 3.49Å; T92-G142 WeakPolarHBondContact CA-O 3.36Å; T92-F144 WeakPolarHBondContact CG2-O 3.25Å; T92-Y173 HydrophobicContact CG2-CD1 3.87Å; T92-Y173 HydrophobicContact CG2-CG 4.13Å; T92-V175 HydrophobicContact CG2-CG2 3.97Å; T92-R312 PolarHBondContact O-NH1 2.88Å; T92-R312 VanDerWaalsContact O-NH1 3.08Å; T92-R312 PolarHBondContact OG1-NH1 3.43Å; T92-R312 PolarHBondContact OG1-NH2 3.44Å
93	D	92.6	Very high	72.5	Confident	45 Å²	45	71.3 Å²	71.3	24%	0.241	44%	0.439	C	S	.	.			trans	-73.2	146	168.7	-66.7	-33.8	0	0	0	112	V95 R141 G142 T145	D93-V95 HydrophobicContact CB-CG2 4.1Å; D93-V95 PolarHBondContact O-N 3.48Å; D93-R141 IonicContact OD1-CZ 2.86Å; D93-R141 IonicContact OD1-NE 3.11Å; D93-R141 PolarHBondContact OD1-NE 2.97Å; D93-R141 IonicContact OD1-NH2 2.82Å; D93-R141 PolarHBondContact OD1-NH2 3.44Å; D93-G142 PolarHBondContact N-O 3.43Å; D93-T145 WeakPolarHBondContact O-CB 3.24Å; D93-T145 PolarHBondContact O-N 2.72Å
94	P	94.9	Very high	75.5	Confident	63 Å²	63	73.9 Å²	73.9	41%	0.409	43%	0.43	S	S	.	.	S	Bend	trans	-77.2	57.4	178.5	34.6	-36.9	0	0	0	111.2	L313	P94-L313 HydrophobicContact CB-CD2 3.99Å
95	V	96.6	Very high	78.3	Confident	29 Å²	29	71.2 Å²	71.2	18%	0.176	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.6	179.2	-174.2	0	0	0	0	109.1	D93 K121 F144 T145	D93-V95 HydrophobicContact CB-CG2 4.1Å; D93-V95 PolarHBondContact O-N 3.48Å; V95-K121 CarbonylContact C-O 3.51Å; V95-K121 WeakPolarHBondContact CA-O 3.39Å; V95-K121 HydrophobicContact CB-CB 4.5Å; V95-K121 HydrophobicContact CG1-CB 4.4Å; V95-K121 HydrophobicContact CG2-CB 4.04Å; V95-K121 HydrophobicContact CG2-CD 4.5Å; V95-F144 HydrophobicContact CB-CD1 4.11Å; V95-F144 HydrophobicContact CG1-CD1 3.88Å; V95-F144 HydrophobicContact CG1-CE1 4.01Å; V95-F144 CarbonylContact O-C 2.97Å; V95-F144 VanDerWaalsContact O-CA 3.23Å; V95-F144 WeakPolarHBondContact O-CA 3.3Å; V95-T145 PolarHBondContact O-N 3Å
96	V	98.3	Very high	81.4	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.3	175.9	-174.6	0	0	0	0	109.9	V98 L115 K121 Y122 R123 L146 I148 L313	V96-V98 HydrophobicContact CG1-CG2 3.86Å; V96-L115 HydrophobicContact CB-CD1 4.2Å; V96-L115 HydrophobicContact CG1-CD1 4.07Å; V96-L115 HydrophobicContact CG2-CD1 4.49Å; V96-L115 HydrophobicContact CG2-CD2 4.27Å; V96-K121 PolarHBondContact N-O 3Å; V96-Y122 CarbonylContact O-C 3.59Å; V96-Y122 WeakPolarHBondContact O-CA 3.43Å; V96-R123 PolarHBondContact O-N 3.44Å; V96-L146 WeakPolarHBondContact CA-O 3.25Å; V96-L146 HydrophobicContact CG1-CB 4.29Å; V96-L146 HydrophobicContact CG1-CD2 4.08Å; V96-L146 HydrophobicContact CG1-CG 4.26Å; V96-L146 HydrophobicContact CG2-CB 4.34Å; V96-L146 HydrophobicContact CG2-CD2 4.27Å; V96-I148 HydrophobicContact CG1-CD1 3.54Å; V96-I148 HydrophobicContact CG1-CG1 3.69Å; V96-L313 HydrophobicContact CG2-CD1 3.39Å
97	L	97.8	Very high	84.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.9	168.8	-178.6	58.9	0	0	0	109.1	F99 E125 P134 L136 F144 L146 V147 I148	L97-F99 HydrophobicContact CD1-CZ 4.49Å; L97-F99 HydrophobicContact CD2-CD2 4.43Å; L97-F99 HydrophobicContact CD2-CE2 3.49Å; L97-F99 VanDerWaalsContact CD2-CE2 3.49Å; L97-F99 HydrophobicContact CD2-CZ 3.59Å; L97-F99 HydrophobicContact CG-CD2 4.3Å; L97-F99 HydrophobicContact CG-CE2 3.81Å; L97-F99 HydrophobicContact CG-CZ 4.05Å; L97-E125 HydrophobicContact CD1-CB 4.41Å; L97-E125 HydrophobicContact CD1-CG 3.88Å; L97-P134 HydrophobicContact CD1-CG 4.24Å; L97-P134 HydrophobicContact CD2-CG 4.06Å; L97-L136 HydrophobicContact CD2-CD2 3.95Å; L97-F144 HydrophobicContact CB-CB 4.18Å; L97-F144 HydrophobicContact CB-CD1 3.71Å; L97-F144 HydrophobicContact CB-CD2 4.14Å; L97-F144 HydrophobicContact CB-CE1 4.1Å; L97-F144 HydrophobicContact CB-CE2 4.49Å; L97-F144 HydrophobicContact CB-CG 3.73Å; L97-F144 HydrophobicContact CB-CZ 4.47Å; L97-F144 HydrophobicContact CD1-CE1 4.18Å; L97-F144 HydrophobicContact CD1-CE2 4.38Å; L97-F144 HydrophobicContact CD1-CZ 4.04Å; L97-F144 HydrophobicContact CD2-CD2 4.01Å; L97-F144 HydrophobicContact CD2-CE2 4.05Å; L97-F144 HydrophobicContact CD2-CG 4.45Å; L97-L146 PolarHBondContact N-O 3.09Å; L97-V147 HydrophobicContact CB-CG2 4.38Å; L97-V147 CarbonylContact O-C 3.51Å; L97-V147 WeakPolarHBondContact O-CA 3.41Å; L97-I148 PolarHBondContact O-N 3Å
98	V	97.6	Very high	87.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112.1	-178.1	-172.8	0	0	0	0	109.3	V96 V100 I111 L115 R123 T124 E125 I148	V96-V98 HydrophobicContact CG1-CG2 3.86Å; V98-V100 HydrophobicContact CG1-CG1 4.05Å; V98-I111 HydrophobicContact CG1-CG2 3.98Å; V98-I111 HydrophobicContact CG2-CG2 4.32Å; V98-L115 HydrophobicContact CG2-CD1 3.8Å; V98-R123 PolarHBondContact N-O 3.41Å; V98-T124 HydrophobicContact CB-CG2 4.22Å; V98-T124 CarbonylContact O-C 3.46Å; V98-T124 WeakPolarHBondContact O-CA 3.49Å; V98-E125 PolarHBondContact O-N 3.24Å; V98-I148 WeakPolarHBondContact CA-O 3.38Å; V98-I148 HydrophobicContact CG1-CB 4.46Å; V98-I148 HydrophobicContact CG2-CB 4.44Å
99	F	96.5	Very high	90.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	118	173.3	-75.7	-66.8	0	0	0	110.6	L97 E125 M133 P134 V147 I148 Y149 E150	L97-F99 HydrophobicContact CD1-CZ 4.49Å; L97-F99 HydrophobicContact CD2-CD2 4.43Å; L97-F99 HydrophobicContact CD2-CE2 3.49Å; L97-F99 VanDerWaalsContact CD2-CE2 3.49Å; L97-F99 HydrophobicContact CD2-CZ 3.59Å; L97-F99 HydrophobicContact CG-CD2 4.3Å; L97-F99 HydrophobicContact CG-CE2 3.81Å; L97-F99 HydrophobicContact CG-CZ 4.05Å; F99-E125 WeakPolarHBondContact CA-O 3.37Å; F99-E125 HydrophobicContact CD1-CB 3.96Å; F99-E125 HydrophobicContact CE1-CB 3.85Å; F99-M133 HydrophobicContact CE1-SD 4.13Å; F99-M133 HydrophobicContact CE2-CE 4.08Å; F99-M133 HydrophobicContact CE2-SD 4.5Å; F99-M133 HydrophobicContact CZ-CE 3.56Å; F99-M133 HydrophobicContact CZ-SD 3.63Å; F99-P134 HydrophobicContact CE1-CG 4.46Å; F99-P134 HydrophobicContact CZ-CG 4.2Å; F99-V147 HydrophobicContact CD2-CG1 3.8Å; F99-V147 HydrophobicContact CE2-CG1 3.89Å; F99-I148 PolarHBondContact N-O 3.32Å; F99-Y149 HydrophobicContact CB-CD1 3.58Å; F99-Y149 HydrophobicContact CB-CE1 3.62Å; F99-Y149 HydrophobicContact CB-CG 4.19Å; F99-Y149 HydrophobicContact CD2-CD1 4.17Å; F99-Y149 HydrophobicContact CD2-CD2 4.29Å; F99-Y149 AromaticContact CD2-CE1 3.56Å; F99-Y149 HydrophobicContact CD2-CE1 3.56Å; F99-Y149 AromaticContact CD2-CE2 3.71Å; F99-Y149 HydrophobicContact CD2-CE2 3.71Å; F99-Y149 HydrophobicContact CD2-CG 4.5Å; F99-Y149 AromaticContact CD2-CZ 3.29Å; F99-Y149 WeakPolarHBondContact CD2-OH 3.34Å; F99-Y149 HydrophobicContact CE2-CE1 4.36Å; F99-Y149 HydrophobicContact CE2-CE2 4.24Å; F99-Y149 AromaticContact CE2-CZ 3.77Å; F99-Y149 WeakPolarHBondContact CE2-OH 3.35Å; F99-Y149 HydrophobicContact CG-CD1 4.14Å; F99-Y149 AromaticContact CG-CE1 3.66Å; F99-Y149 HydrophobicContact CG-CE1 3.66Å; F99-Y149 AromaticContact CG-CZ 3.91Å; F99-E150 PolarHBondContact O-N 2.72Å
100	V	95.3	Very high	92.6	Very high	9 Å²	9	54 Å²	54	6%	0.055	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	156.5	178.5	-59.9	0	0	0	0	110.7	V98 S102 E125 I126 S127 E150	V98-V100 HydrophobicContact CG1-CG1 4.05Å; V100-S102 VanDerWaalsContact CG2-O 3.27Å; V100-S102 WeakPolarHBondContact CG2-O 3.29Å; V100-E125 PolarHBondContact N-O 3.12Å; V100-I126 CarbonylContact O-C 3.3Å; V100-I126 WeakPolarHBondContact O-CA 3.28Å; V100-S127 PolarHBondContact O-N 3.21Å; V100-S127 PolarHBondContact O-OG 3.23Å; V100-S127 VanDerWaalsContact O-OG 3.1Å; V100-E150 VanDerWaalsContact CA-CD 3.44Å; V100-E150 WeakPolarHBondContact CB-OE2 3.47Å; V100-E150 WeakPolarHBondContact CG1-OE2 3.32Å
101	E	91.4	Very high	94.3	Very high	92 Å²	92	50.4 Å²	50.4	43%	0.43	24%	0.24	S	C	.	.	S	Bend	trans	-80.2	-30.7	174	-63.5	-167.2	137.3	0	0	111.1	E150 N151 K154	E101-E150 WeakPolarHBondContact CA-OE1 3.36Å; E101-E150 WeakPolarHBondContact CB-OE1 3.3Å; E101-E150 HydrophobicContact CG-CG 4.16Å; E101-E150 VanDerWaalsContact CG-OE1 3.3Å; E101-E150 WeakPolarHBondContact CG-OE1 3.5Å; E101-E150 VanDerWaalsContact N-CD 3.26Å; E101-E150 PolarHBondContact N-OE1 3.47Å; E101-N151 HydrophobicContact CG-CB 4.33Å; E101-N151 PolarHBondContact OE1-ND2 2.83Å; E101-K154 WeakPolarHBondContact OE1-CE 3.4Å; E101-K154 IonicContact OE1-NZ 3.09Å
102	S	91.9	Very high	94.8	Very high	48 Å²	48	43 Å²	43	34%	0.336	21%	0.214	S	C	.	.	S	Bend	trans	-151	164.5	171.6	76.9	0	0	0	0	110.8	V100 Y104 S105	V100-S102 VanDerWaalsContact CG2-O 3.27Å; V100-S102 WeakPolarHBondContact CG2-O 3.29Å; S102-Y104 PolarHBondContact O-N 3.29Å; S102-Y104 VanDerWaalsContact O-N 3.07Å; S102-Y104 PolarHBondContact OG-N 2.91Å; S102-S105 PolarHBondContact O-N 3.13Å; S102-S105 PolarHBondContact O-OG 3.36Å; S102-S105 PolarHBondContact OG-N 3.2Å
103	Q	86.5	Confident	94.9	Very high	135 Å²	135	43.8 Å²	43.8	63%	0.631	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.8	175	-66.9	178.3	-8.4	0	0	113.6	I126	Q103-I126 HydrophobicContact CG-CD1 4.23Å
104	Y	90.6	Very high	95.1	Very high	180 Å²	180	42.4 Å²	42.4	71%	0.706	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.8	11.2	-173.9	-51.2	-74.7	0	0	0	112.9	S102 Q106	S102-Y104 PolarHBondContact O-N 3.29Å; S102-Y104 VanDerWaalsContact O-N 3.07Å; S102-Y104 PolarHBondContact OG-N 2.91Å; Y104-Q106 PolarHBondContact O-N 3.29Å
105	S	94.1	Very high	95.2	Very high	18 Å²	18	39.4 Å²	39.4	13%	0.126	19%	0.193	C	C	.	.			trans	-61.3	131	177.1	58.5	0	0	0	0	110.1	S102 L107 G108 Q109 E150	S102-S105 PolarHBondContact O-N 3.13Å; S102-S105 PolarHBondContact O-OG 3.36Å; S102-S105 PolarHBondContact OG-N 3.2Å; S105-L107 PolarHBondContact O-N 3.07Å; S105-G108 PolarHBondContact O-N 2.93Å; S105-G108 PolarHBondContact OG-N 2.87Å; S105-Q109 WeakPolarHBondContact O-CG 3.32Å; S105-Q109 PolarHBondContact O-N 3.45Å; S105-E150 WeakPolarHBondContact CB-OE1 3.38Å; S105-E150 VanDerWaalsContact CB-OE2 3.3Å; S105-E150 WeakPolarHBondContact CB-OE2 3.28Å; S105-E150 VanDerWaalsContact OG-CD 3.24Å; S105-E150 PolarHBondContact OG-OE1 3.24Å; S105-E150 VanDerWaalsContact OG-OE1 3.14Å; S105-E150 PolarHBondContact OG-OE2 3.1Å
106	Q	95	Very high	95.1	Very high	116 Å²	116	39.3 Å²	39.3	54%	0.542	19%	0.191	S	C	.	.	H	α-helix	trans	-59.9	-47.2	-178.1	-178.5	-178.8	-5.4	0	0	111.3	Y104 Q109 E110	Y104-Q106 PolarHBondContact O-N 3.29Å; Q106-Q109 PolarHBondContact O-N 3.42Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.22Å; Q106-E110 PolarHBondContact NE2-OE1 3.44Å; Q106-E110 WeakPolarHBondContact O-CG 3.39Å; Q106-E110 PolarHBondContact O-N 2.91Å
107	L	96.1	Very high	94.8	Very high	9 Å²	9	40 Å²	40	5%	0.047	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-42.8	178.9	177.1	61	0	0	0	111.8	S105 Q109 E110 I111 E150 F180 N291 L292	S105-L107 PolarHBondContact O-N 3.07Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.85Å; L107-E110 PolarHBondContact O-N 3.41Å; L107-I111 HydrophobicContact CD1-CD1 4.08Å; L107-I111 HydrophobicContact CD1-CG1 4.14Å; L107-I111 HydrophobicContact CD2-CD1 4.49Å; L107-I111 HydrophobicContact CG-CD1 3.85Å; L107-I111 HydrophobicContact CG-CG1 4.39Å; L107-I111 VanDerWaalsContact O-CG1 3.31Å; L107-I111 WeakPolarHBondContact O-CG1 3.33Å; L107-I111 PolarHBondContact O-N 3.44Å; L107-E150 HydrophobicContact CD2-CB 3.93Å; L107-E150 VanDerWaalsContact CD2-O 3.28Å; L107-E150 WeakPolarHBondContact CD2-O 3.46Å; L107-E150 HydrophobicContact CG-CB 4.17Å; L107-F180 HydrophobicContact CD1-CD1 4.3Å; L107-F180 HydrophobicContact CD1-CE1 4.32Å; L107-F180 HydrophobicContact CD2-CB 3.69Å; L107-F180 HydrophobicContact CD2-CD1 4.08Å; L107-F180 HydrophobicContact CD2-CD2 4.14Å; L107-F180 HydrophobicContact CD2-CG 3.71Å; L107-N291 HydrophobicContact CD1-CB 4.15Å; L107-N291 WeakPolarHBondContact CD2-OD1 3.39Å; L107-L292 HydrophobicContact CD1-CB 4.14Å; L107-L292 HydrophobicContact CD1-CD1 4.03Å; L107-L292 HydrophobicContact CD1-CG 3.78Å
108	G	96.4	Very high	94.6	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-43.1	175.1	0	0	0	0	0	112.2	S105 I111 V112 E150	S105-G108 PolarHBondContact O-N 2.93Å; S105-G108 PolarHBondContact OG-N 2.87Å; G108-I111 PolarHBondContact O-N 3.45Å; G108-V112 WeakPolarHBondContact O-CB 3.49Å; G108-V112 VanDerWaalsContact O-CG2 3.28Å; G108-V112 WeakPolarHBondContact O-CG2 3.37Å; G108-V112 PolarHBondContact O-N 3.01Å; G108-E150 WeakPolarHBondContact CA-OE2 3.29Å; G108-E150 PolarHBondContact N-OE2 3.47Å; G108-E150 VanDerWaalsContact N-OE2 3.12Å
109	Q	95.5	Very high	94.4	Very high	104 Å²	104	43.2 Å²	43.2	49%	0.486	21%	0.21	S	C	.	.	H	α-helix	trans	-65.5	-38.3	174.9	-70.4	-179.9	-0.3	0	0	112.9	S105 Q106 L107 A113	S105-Q109 WeakPolarHBondContact O-CG 3.32Å; S105-Q109 PolarHBondContact O-N 3.45Å; Q106-Q109 PolarHBondContact O-N 3.42Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.85Å; Q109-A113 VanDerWaalsContact O-CB 3.28Å; Q109-A113 WeakPolarHBondContact O-CB 3.37Å; Q109-A113 PolarHBondContact O-N 3.29Å
110	E	95.6	Very high	94.3	Very high	34 Å²	34	44.5 Å²	44.5	16%	0.159	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-43.5	175.9	-74.4	172.9	-162.9	0	0	112.1	Q106 L107 A113 I114 L292 N293	Q106-E110 WeakPolarHBondContact CG-OE1 3.22Å; Q106-E110 PolarHBondContact NE2-OE1 3.44Å; Q106-E110 WeakPolarHBondContact O-CG 3.39Å; Q106-E110 PolarHBondContact O-N 2.91Å; L107-E110 PolarHBondContact O-N 3.41Å; E110-A113 PolarHBondContact O-N 2.74Å; E110-I114 WeakPolarHBondContact O-CG1 3.44Å; E110-I114 PolarHBondContact O-N 3.11Å; E110-I114 VanDerWaalsContact O-N 3.11Å; E110-L292 HydrophobicContact CB-CB 4.49Å; E110-L292 HydrophobicContact CB-CD1 4.33Å; E110-L292 WeakPolarHBondContact OE2-CB 3.44Å; E110-N293 PolarHBondContact OE1-OD1 3.08Å
111	I	97.7	Very high	94.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-52.1	173.8	-71.3	164.3	0	0	0	109.5	V98 L107 G108 A113 I114 L115 I148 E150 F180 L292 F301	V98-I111 HydrophobicContact CG1-CG2 3.98Å; V98-I111 HydrophobicContact CG2-CG2 4.32Å; L107-I111 HydrophobicContact CD1-CD1 4.08Å; L107-I111 HydrophobicContact CD1-CG1 4.14Å; L107-I111 HydrophobicContact CD2-CD1 4.49Å; L107-I111 HydrophobicContact CG-CD1 3.85Å; L107-I111 HydrophobicContact CG-CG1 4.39Å; L107-I111 VanDerWaalsContact O-CG1 3.31Å; L107-I111 WeakPolarHBondContact O-CG1 3.33Å; L107-I111 PolarHBondContact O-N 3.44Å; G108-I111 PolarHBondContact O-N 3.45Å; I111-A113 VanDerWaalsContact C-N 3.32Å; I111-A113 PolarHBondContact O-N 3.13Å; I111-I114 PolarHBondContact O-N 3.09Å; I111-L115 HydrophobicContact CG2-CD1 4.09Å; I111-L115 WeakPolarHBondContact O-CG 3.4Å; I111-L115 PolarHBondContact O-N 3.42Å; I111-L115 VanDerWaalsContact O-N 3.07Å; I111-I148 HydrophobicContact CD1-CG2 3.97Å; I111-I148 HydrophobicContact CG2-CD1 4.12Å; I111-I148 HydrophobicContact CG2-CG2 4.25Å; I111-E150 HydrophobicContact CD1-CB 4.22Å; I111-F180 HydrophobicContact CD1-CD2 4.06Å; I111-F180 HydrophobicContact CD1-CE2 3.69Å; I111-F180 HydrophobicContact CD1-CZ 4.39Å; I111-F180 HydrophobicContact CG1-CE2 4.16Å; I111-F180 HydrophobicContact CG1-CZ 4.44Å; I111-L292 HydrophobicContact CG1-CD1 3.79Å; I111-F301 HydrophobicContact CG2-CZ 4Å
112	V	96.6	Very high	94.6	Very high	17 Å²	17	50.5 Å²	50.5	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-44.1	178.8	165.3	0	0	0	0	111.1	G108 I114 L115 E116 Y122 T124	G108-V112 WeakPolarHBondContact O-CB 3.49Å; G108-V112 VanDerWaalsContact O-CG2 3.28Å; G108-V112 WeakPolarHBondContact O-CG2 3.37Å; G108-V112 PolarHBondContact O-N 3.01Å; V112-I114 VanDerWaalsContact C-N 3.3Å; V112-I114 PolarHBondContact O-N 3.3Å; V112-L115 PolarHBondContact O-N 3.29Å; V112-L115 VanDerWaalsContact O-N 3.15Å; V112-E116 HydrophobicContact CG1-CG 4.03Å; V112-E116 WeakPolarHBondContact O-CB 3.46Å; V112-E116 VanDerWaalsContact O-CG 3.31Å; V112-E116 WeakPolarHBondContact O-CG 3.45Å; V112-E116 PolarHBondContact O-N 3.14Å; V112-Y122 HydrophobicContact CB-CE2 4.31Å; V112-Y122 HydrophobicContact CG1-CE1 4.15Å; V112-Y122 HydrophobicContact CG1-CE2 3.67Å; V112-Y122 VanDerWaalsContact CG1-CZ 3.44Å; V112-Y122 VanDerWaalsContact CG1-OH 3.29Å; V112-Y122 WeakPolarHBondContact CG1-OH 3.44Å; V112-Y122 HydrophobicContact CG2-CD2 4.05Å; V112-Y122 HydrophobicContact CG2-CE2 3.72Å; V112-T124 HydrophobicContact CG2-CG2 3.66Å
113	A	95.5	Very high	94.7	Very high	18 Å²	18	52.6 Å²	52.6	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-37	179.7	0	0	0	0	0	112.9	Q109 E110 I111 S117	Q109-A113 VanDerWaalsContact O-CB 3.28Å; Q109-A113 WeakPolarHBondContact O-CB 3.37Å; Q109-A113 PolarHBondContact O-N 3.29Å; E110-A113 PolarHBondContact O-N 2.74Å; I111-A113 VanDerWaalsContact C-N 3.32Å; I111-A113 PolarHBondContact O-N 3.13Å; A113-S117 WeakPolarHBondContact O-CB 3.49Å; A113-S117 PolarHBondContact O-N 3.28Å; A113-S117 VanDerWaalsContact O-N 3.08Å; A113-S117 PolarHBondContact O-OG 3.12Å
114	I	96.4	Very high	95.1	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.077	23%	0.228	C	C	.	.	H	α-helix	trans	-68.7	-44.9	174.8	-66.5	174.2	0	0	0	110.8	E110 I111 V112 E116 S117 G118 L292 K298 F301 V302 L527	E110-I114 WeakPolarHBondContact O-CG1 3.44Å; E110-I114 PolarHBondContact O-N 3.11Å; E110-I114 VanDerWaalsContact O-N 3.11Å; I111-I114 PolarHBondContact O-N 3.09Å; V112-I114 VanDerWaalsContact C-N 3.3Å; V112-I114 PolarHBondContact O-N 3.3Å; I114-E116 PolarHBondContact O-N 2.93Å; I114-S117 PolarHBondContact O-N 3.46Å; I114-G118 PolarHBondContact O-N 3.36Å; I114-L292 HydrophobicContact CD1-CD1 3.89Å; I114-K298 HydrophobicContact CD1-CB 4.27Å; I114-K298 HydrophobicContact CD1-CG 4.16Å; I114-F301 HydrophobicContact CB-CD1 4.4Å; I114-F301 HydrophobicContact CB-CE1 4.06Å; I114-F301 HydrophobicContact CD1-CD1 3.86Å; I114-F301 HydrophobicContact CD1-CE1 4.23Å; I114-F301 HydrophobicContact CG2-CD1 3.88Å; I114-F301 HydrophobicContact CG2-CE1 3.74Å; I114-V302 HydrophobicContact CG2-CG2 4.02Å; I114-L527 HydrophobicContact CG1-CD1 4.36Å; I114-L527 HydrophobicContact CG2-CD2 3.92Å
115	L	96.8	Very high	95.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-43.4	177.8	-63.8	176.9	0	0	0	111.8	V96 V98 I111 V112 G118 R119 F120 Y122 I148	V96-L115 HydrophobicContact CB-CD1 4.2Å; V96-L115 HydrophobicContact CG1-CD1 4.07Å; V96-L115 HydrophobicContact CG2-CD1 4.49Å; V96-L115 HydrophobicContact CG2-CD2 4.27Å; V98-L115 HydrophobicContact CG2-CD1 3.8Å; I111-L115 HydrophobicContact CG2-CD1 4.09Å; I111-L115 WeakPolarHBondContact O-CG 3.4Å; I111-L115 PolarHBondContact O-N 3.42Å; I111-L115 VanDerWaalsContact O-N 3.07Å; V112-L115 PolarHBondContact O-N 3.29Å; V112-L115 VanDerWaalsContact O-N 3.15Å; L115-G118 CarbonylContact O-C 3.58Å; L115-G118 PolarHBondContact O-N 3.1Å; L115-R119 PolarHBondContact O-N 3.13Å; L115-R119 VanDerWaalsContact O-N 3.11Å; L115-F120 HydrophobicContact CB-CB 4.41Å; L115-F120 HydrophobicContact CD2-CB 4.24Å; L115-F120 HydrophobicContact CD2-CD2 3.93Å; L115-F120 PolarHBondContact O-N 3.39Å; L115-Y122 HydrophobicContact CB-CD1 4.26Å; L115-Y122 HydrophobicContact CD1-CG 4.29Å; L115-I148 HydrophobicContact CD1-CD1 4.4Å
116	E	94.6	Very high	95.1	Very high	27 Å²	27	46.9 Å²	46.9	13%	0.126	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-43.6	176.1	-74.7	176.6	149.5	0	0	112.2	V112 I114 G118 R119 Y122 R475 F476 R478	V112-E116 HydrophobicContact CG1-CG 4.03Å; V112-E116 WeakPolarHBondContact O-CB 3.46Å; V112-E116 VanDerWaalsContact O-CG 3.31Å; V112-E116 WeakPolarHBondContact O-CG 3.45Å; V112-E116 PolarHBondContact O-N 3.14Å; I114-E116 PolarHBondContact O-N 2.93Å; E116-G118 VanDerWaalsContact C-N 3.32Å; E116-R119 PolarHBondContact O-N 3.46Å; E116-R119 VanDerWaalsContact O-N 3.15Å; E116-Y122 HydrophobicContact CG-CE1 3.58Å; E116-Y122 PolarHBondContact OE1-OH 2.93Å; E116-R475 WeakPolarHBondContact OE2-CD 3.23Å; E116-R475 IonicContact OE2-CZ 3.13Å; E116-R475 IonicContact OE2-NE 2.73Å; E116-R475 PolarHBondContact OE2-NE 3.3Å; E116-R475 IonicContact OE2-NH2 2.73Å; E116-F476 HydrophobicContact CB-CE1 4.34Å; E116-F476 VanDerWaalsContact CD-CE1 3.44Å; E116-F476 HydrophobicContact CG-CE1 4.17Å; E116-F476 WeakPolarHBondContact OE1-CE1 3.02Å; E116-F476 WeakPolarHBondContact OE1-CZ 3.35Å; E116-F476 WeakPolarHBondContact OE2-CE1 3.28Å; E116-R478 PolarHBondContact O-NH2 3.29Å
117	S	92.9	Very high	94.5	Very high	13 Å²	13	42 Å²	42	9%	0.091	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-39.5	177	-57	0	0	0	0	111.4	A113 I114 R119 R475	A113-S117 WeakPolarHBondContact O-CB 3.49Å; A113-S117 PolarHBondContact O-N 3.28Å; A113-S117 VanDerWaalsContact O-N 3.08Å; A113-S117 PolarHBondContact O-OG 3.12Å; I114-S117 PolarHBondContact O-N 3.46Å; S117-R119 PolarHBondContact O-N 2.88Å; S117-R475 VanDerWaalsContact OG-CB 3.26Å; S117-R475 WeakPolarHBondContact OG-CB 3.22Å
118	G	93.1	Very high	93.2	Very high	7 Å²	7	42.5 Å²	42.5	7%	0.072	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-3.3	175	0	0	0	0	0	115	I114 L115 E116 F120	I114-G118 PolarHBondContact O-N 3.36Å; L115-G118 CarbonylContact O-C 3.58Å; L115-G118 PolarHBondContact O-N 3.1Å; E116-G118 VanDerWaalsContact C-N 3.32Å; G118-F120 WeakPolarHBondContact O-CD1 3.31Å; G118-F120 WeakPolarHBondContact O-CE1 3.42Å; G118-F120 PolarHBondContact O-N 3.47Å
119	R	93.3	Very high	91.7	Very high	62 Å²	62	45.3 Å²	45.3	23%	0.234	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	29.6	-173	-55.8	172.2	171.1	89.6	-12.8	113.5	L115 E116 S117 Y577 F581 E584	L115-R119 PolarHBondContact O-N 3.13Å; L115-R119 VanDerWaalsContact O-N 3.11Å; E116-R119 PolarHBondContact O-N 3.46Å; E116-R119 VanDerWaalsContact O-N 3.15Å; S117-R119 PolarHBondContact O-N 2.88Å; R119-Y577 PolarHBondContact NH2-OH 2.89Å; R119-F581 VanDerWaalsContact CD-CD1 3.41Å; R119-F581 VanDerWaalsContact CZ-CD1 3.41Å; R119-F581 VanDerWaalsContact CZ-CE2 3.42Å; R119-F581 VanDerWaalsContact NE-CE1 3.3Å; R119-E584 IonicContact CZ-OE1 3.85Å; R119-E584 IonicContact CZ-OE2 3.63Å; R119-E584 IonicContact NE-OE1 3.98Å; R119-E584 PolarHBondContact NE-OE1 2.91Å; R119-E584 IonicContact NE-OE2 3.76Å; R119-E584 IonicContact NH2-OE1 3.67Å; R119-E584 PolarHBondContact NH2-OE1 2.74Å; R119-E584 IonicContact NH2-OE2 2.69Å; R119-E584 PolarHBondContact NH2-OE2 3.37Å
120	F	95.4	Very high	90	Very high	26 Å²	26	50.4 Å²	50.4	11%	0.114	26%	0.255	C	S	.	.			trans	-85.5	128.1	176.1	-57	-30.2	0	0	0	109.7	L115 G118 V305 L313 L315	L115-F120 HydrophobicContact CB-CB 4.41Å; L115-F120 HydrophobicContact CD2-CB 4.24Å; L115-F120 HydrophobicContact CD2-CD2 3.93Å; L115-F120 PolarHBondContact O-N 3.39Å; G118-F120 WeakPolarHBondContact O-CD1 3.31Å; G118-F120 WeakPolarHBondContact O-CE1 3.42Å; G118-F120 PolarHBondContact O-N 3.47Å; F120-V305 HydrophobicContact CD2-CG1 4.18Å; F120-V305 HydrophobicContact CE2-CG1 4.06Å; F120-L313 HydrophobicContact CB-CD1 4.48Å; F120-L313 HydrophobicContact CB-CD2 4.49Å; F120-L313 HydrophobicContact CD1-CB 4.09Å; F120-L313 HydrophobicContact CD1-CD2 3.98Å; F120-L313 HydrophobicContact CD2-CB 4.41Å; F120-L313 HydrophobicContact CE1-CB 4.12Å; F120-L313 HydrophobicContact CE2-CB 4.43Å; F120-L313 HydrophobicContact CG-CB 4.26Å; F120-L313 HydrophobicContact CG-CD2 4.35Å; F120-L313 HydrophobicContact CZ-CB 4.29Å; F120-L315 HydrophobicContact CE1-CD2 4.41Å; F120-L315 HydrophobicContact CZ-CD2 4.01Å; F120-L315 HydrophobicContact CZ-CG 4.11Å
121	K	95.5	Very high	88.6	Confident	150 Å²	150	50.3 Å²	50.3	65%	0.652	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	138	175.6	-66.9	-176.3	179.8	-178.2	0	109	V95 V96	V95-K121 CarbonylContact C-O 3.51Å; V95-K121 WeakPolarHBondContact CA-O 3.39Å; V95-K121 HydrophobicContact CB-CB 4.5Å; V95-K121 HydrophobicContact CG1-CB 4.4Å; V95-K121 HydrophobicContact CG2-CB 4.04Å; V95-K121 HydrophobicContact CG2-CD 4.5Å; V96-K121 PolarHBondContact N-O 3Å
122	Y	96.8	Very high	87.3	Confident	77 Å²	77	57.3 Å²	57.3	30%	0.302	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	162.8	178.8	69.7	-82.7	0	0	0	111.1	V96 V112 L115 E116 T124	V96-Y122 CarbonylContact O-C 3.59Å; V96-Y122 WeakPolarHBondContact O-CA 3.43Å; V112-Y122 HydrophobicContact CB-CE2 4.31Å; V112-Y122 HydrophobicContact CG1-CE1 4.15Å; V112-Y122 HydrophobicContact CG1-CE2 3.67Å; V112-Y122 VanDerWaalsContact CG1-CZ 3.44Å; V112-Y122 VanDerWaalsContact CG1-OH 3.29Å; V112-Y122 WeakPolarHBondContact CG1-OH 3.44Å; V112-Y122 HydrophobicContact CG2-CD2 4.05Å; V112-Y122 HydrophobicContact CG2-CE2 3.72Å; L115-Y122 HydrophobicContact CB-CD1 4.26Å; L115-Y122 HydrophobicContact CD1-CG 4.29Å; E116-Y122 HydrophobicContact CG-CE1 3.58Å; E116-Y122 PolarHBondContact OE1-OH 2.93Å; Y122-T124 HydrophobicContact CD2-CG2 3.99Å; Y122-T124 HydrophobicContact CE2-CG2 3.94Å
123	R	95.2	Very high	86.7	Confident	93 Å²	93	57.4 Å²	57.4	35%	0.351	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	127.3	169.8	-178.4	175.5	174.1	167.2	-1.5	108.1	V96 V98 E125 F144	V96-R123 PolarHBondContact O-N 3.44Å; V98-R123 PolarHBondContact N-O 3.41Å; R123-E125 IonicContact CZ-OE1 3.53Å; R123-E125 IonicContact NE-OE1 2.68Å; R123-E125 PolarHBondContact NE-OE1 3.17Å; R123-E125 IonicContact NH2-OE1 3.56Å; R123-E125 PolarHBondContact NH2-OE1 3.04Å; R123-F144 HydrophobicContact CB-CE1 3.98Å
124	T	94.5	Very high	86.3	Confident	67 Å²	67	57.4 Å²	57.4	41%	0.411	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140	174.4	46.8	0	0	0	0	110.4	V98 V112 Y122	V98-T124 HydrophobicContact CB-CG2 4.22Å; V98-T124 CarbonylContact O-C 3.46Å; V98-T124 WeakPolarHBondContact O-CA 3.49Å; V112-T124 HydrophobicContact CG2-CG2 3.66Å; Y122-T124 HydrophobicContact CD2-CG2 3.99Å; Y122-T124 HydrophobicContact CE2-CG2 3.94Å
125	E	92.9	Very high	86	Confident	53 Å²	53	61.1 Å²	61.1	25%	0.248	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.4	173.4	-69.5	-64.9	167	0	0	109.2	L97 V98 F99 V100 R123 S127 P134	L97-E125 HydrophobicContact CD1-CB 4.41Å; L97-E125 HydrophobicContact CD1-CG 3.88Å; V98-E125 PolarHBondContact O-N 3.24Å; F99-E125 WeakPolarHBondContact CA-O 3.37Å; F99-E125 HydrophobicContact CD1-CB 3.96Å; F99-E125 HydrophobicContact CE1-CB 3.85Å; V100-E125 PolarHBondContact N-O 3.12Å; R123-E125 IonicContact CZ-OE1 3.53Å; R123-E125 IonicContact NE-OE1 2.68Å; R123-E125 PolarHBondContact NE-OE1 3.17Å; R123-E125 IonicContact NH2-OE1 3.56Å; R123-E125 PolarHBondContact NH2-OE1 3.04Å; E125-S127 PolarHBondContact O-N 3.21Å; E125-P134 HydrophobicContact CG-CB 4.19Å; E125-P134 HydrophobicContact CG-CG 4.08Å
126	I	90.8	Very high	85.8	Confident	92 Å²	92	61.6 Å²	61.6	47%	0.472	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.1	171.1	-61.7	174.1	0	0	0	107.2	V100 Q103 P128	V100-I126 CarbonylContact O-C 3.3Å; V100-I126 WeakPolarHBondContact O-CA 3.28Å; Q103-I126 HydrophobicContact CG-CD1 4.23Å; I126-P128 WeakPolarHBondContact O-CD 3.29Å; I126-P128 VanDerWaalsContact O-N 3.11Å
127	S	82.6	Confident	85.6	Confident	14 Å²	14	62.9 Å²	62.9	10%	0.098	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-52.8	116.9	-178.5	-61	0	0	0	0	110.1	V100 E125 G129	V100-S127 PolarHBondContact O-N 3.21Å; V100-S127 PolarHBondContact O-OG 3.23Å; V100-S127 VanDerWaalsContact O-OG 3.1Å; E125-S127 PolarHBondContact O-N 3.21Å; S127-G129 PolarHBondContact O-N 3.32Å
128	P	69.7	Low	85.1	Confident	20 Å²	20	67 Å²	67	13%	0.13	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-68.3	120.5	-176.8	24.3	-30	0	0	0	109.3	I126 G131 M133 L158	I126-P128 WeakPolarHBondContact O-CD 3.29Å; I126-P128 VanDerWaalsContact O-N 3.11Å; P128-G131 WeakPolarHBondContact CB-O 3.4Å; P128-M133 HydrophobicContact CG-CG 4.31Å; P128-M133 HydrophobicContact CG-SD 3.69Å; P128-L158 HydrophobicContact CG-CD2 4.19Å
129	G	63.5	Low	84.6	Confident	62 Å²	62	75.8 Å²	75.8	64%	0.639	39%	0.392	S	S	*	.	S	Bend	trans	-79.1	-44	171.7	0	0	0	0	0	112.3	S127	S127-G129 PolarHBondContact O-N 3.32Å
130	K	61.3	Low	84.1	Confident	210 Å²	210	81.4 Å²	81.4	91%	0.913	42%	0.42	S	S	*	.	S	Bend	trans	-145.4	18.8	173.7	-66.7	-172.1	176.7	-176.7	0	111.7
131	G	64.9	Low	83.8	Confident	33 Å²	33	85.7 Å²	85.7	34%	0.34	44%	0.436	S	S	.	.	S	Bend	trans	-97.4	169.8	-176.3	0	0	0	0	0	112.1	P128 N162	P128-G131 WeakPolarHBondContact CB-O 3.4Å; G131-N162 PolarHBondContact O-ND2 2.97Å; G131-N162 VanDerWaalsContact O-ND2 3.08Å
132	D	72.1	Confident	83.7	Confident	146 Å²	146	78.5 Å²	78.5	78%	0.781	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-70.6	137.3	177.5	-65.2	-31.6	0	0	0	111.3
133	M	82.7	Confident	83.6	Confident	20 Å²	20	78.6 Å²	78.6	10%	0.099	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-65.2	146.8	170.3	-81.9	-74.7	-69.8	0	0	111.3	F99 P128 L136 N162 L165 L166	F99-M133 HydrophobicContact CE1-SD 4.13Å; F99-M133 HydrophobicContact CE2-CE 4.08Å; F99-M133 HydrophobicContact CE2-SD 4.5Å; F99-M133 HydrophobicContact CZ-CE 3.56Å; F99-M133 HydrophobicContact CZ-SD 3.63Å; P128-M133 HydrophobicContact CG-CG 4.31Å; P128-M133 HydrophobicContact CG-SD 3.69Å; M133-L136 HydrophobicContact CE-CD1 4.31Å; M133-L136 HydrophobicContact CE-CD2 4.21Å; M133-N162 HydrophobicContact CG-CB 3.99Å; M133-N162 WeakPolarHBondContact CG-OD1 3.38Å; M133-L165 HydrophobicContact CB-CD2 4.43Å; M133-L166 HydrophobicContact CE-CB 4.26Å; M133-L166 HydrophobicContact CE-CD1 4.02Å; M133-L166 HydrophobicContact CE-CD2 4.18Å; M133-L166 HydrophobicContact CE-CG 4.39Å
134	P	88.1	Confident	83.7	Confident	17 Å²	17	74.3 Å²	74.3	11%	0.11	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-60	148.7	171.5	29.8	-37.8	0	0	0	109.8	L97 F99 E125 L136	L97-P134 HydrophobicContact CD1-CG 4.24Å; L97-P134 HydrophobicContact CD2-CG 4.06Å; F99-P134 HydrophobicContact CE1-CG 4.46Å; F99-P134 HydrophobicContact CZ-CG 4.2Å; E125-P134 HydrophobicContact CG-CB 4.19Å; E125-P134 HydrophobicContact CG-CG 4.08Å; P134-L136 HydrophobicContact CG-CD2 4.46Å; P134-L136 WeakPolarHBondContact O-CG 3.44Å; P134-L136 PolarHBondContact O-N 3.38Å
135	T	89.6	Confident	83.9	Confident	93 Å²	93	71.1 Å²	71.1	57%	0.571	37%	0.369	S	S	*	.			trans	-58.2	115.5	176.1	-40.7	0	0	0	0	110.1	T137 R143	T135-T137 VanDerWaalsContact CG2-O 3.23Å; T135-T137 WeakPolarHBondContact CG2-O 3.44Å; T135-R143 WeakPolarHBondContact O-CD 3.38Å; T135-R143 PolarHBondContact O-NH1 3.45Å; T135-R143 VanDerWaalsContact O-NH1 3.16Å
136	L	92.4	Very high	84.1	Confident	11 Å²	11	68.6 Å²	68.6	6%	0.058	36%	0.357	C	S	.	.			trans	-85.8	-22.5	-175.5	-60.8	179.7	0	0	0	113.3	L97 M133 P134 R143 F144 L165 L166 Y169	L97-L136 HydrophobicContact CD2-CD2 3.95Å; M133-L136 HydrophobicContact CE-CD1 4.31Å; M133-L136 HydrophobicContact CE-CD2 4.21Å; P134-L136 HydrophobicContact CG-CD2 4.46Å; P134-L136 WeakPolarHBondContact O-CG 3.44Å; P134-L136 PolarHBondContact O-N 3.38Å; L136-R143 WeakPolarHBondContact O-CB 3.48Å; L136-R143 PolarHBondContact O-N 3.07Å; L136-F144 HydrophobicContact CD2-CD2 4.07Å; L136-F144 HydrophobicContact CD2-CE2 4.13Å; L136-L165 HydrophobicContact CD1-CG 4.4Å; L136-L166 HydrophobicContact CD1-CD1 4.03Å; L136-Y169 HydrophobicContact CB-CD1 4.48Å; L136-Y169 HydrophobicContact CB-CD2 3.78Å; L136-Y169 HydrophobicContact CB-CE2 3.95Å; L136-Y169 HydrophobicContact CB-CG 4.07Å; L136-Y169 HydrophobicContact CD1-CD1 4.19Å; L136-Y169 HydrophobicContact CD1-CD2 4.41Å; L136-Y169 HydrophobicContact CD1-CG 3.89Å; L136-Y169 VanDerWaalsContact O-CE2 3.28Å; L136-Y169 WeakPolarHBondContact O-CE2 3.24Å
137	T	90.8	Very high	84.5	Confident	54 Å²	54	64.2 Å²	64.2	33%	0.331	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.2	-179	54.7	0	0	0	0	111.7	T135 R141 Y169 Y173	T135-T137 VanDerWaalsContact CG2-O 3.23Å; T135-T137 WeakPolarHBondContact CG2-O 3.44Å; T137-R141 CarbonylContact C-O 3.55Å; T137-R141 VanDerWaalsContact CA-O 3.28Å; T137-R141 WeakPolarHBondContact CA-O 3.37Å; T137-Y169 HydrophobicContact CG2-CD2 4.06Å; T137-Y169 HydrophobicContact CG2-CE2 4.02Å; T137-Y173 HydrophobicContact CG2-CE2 4.1Å
138	D	82.5	Confident	85.3	Confident	101 Å²	101	63.6 Å²	63.6	54%	0.54	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	107.7	163.5	-179.8	13.6	0	0	0	107.2	E140 R141 R143	D138-E140 PolarHBondContact O-N 3.19Å; D138-R141 PolarHBondContact N-O 3.07Å; D138-R141 PolarHBondContact O-N 3.16Å; D138-R143 HydrophobicContact CB-CG 4.21Å
139	K	81.3	Confident	86.6	Confident	191 Å²	191	62.6 Å²	62.6	83%	0.83	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	-116	-167.8	-55.3	173.7	-176.2	177.2	0	110.8
140	E	83.7	Confident	88.1	Confident	179 Å²	179	60.2 Å²	60.2	84%	0.836	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	9.7	-179.8	-61.6	-175.9	172.4	0	0	113.3	D138 Y173	D138-E140 PolarHBondContact O-N 3.19Å; E140-Y173 PolarHBondContact O-OH 2.64Å
141	R	89.3	Confident	89.7	Confident	116 Å²	116	51.7 Å²	51.7	44%	0.438	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.5	-175.2	-170.8	173.1	174.4	136.3	-2.4	110.6	D93 T137 D138	D93-R141 IonicContact OD1-CZ 2.86Å; D93-R141 IonicContact OD1-NE 3.11Å; D93-R141 PolarHBondContact OD1-NE 2.97Å; D93-R141 IonicContact OD1-NH2 2.82Å; D93-R141 PolarHBondContact OD1-NH2 3.44Å; T137-R141 CarbonylContact C-O 3.55Å; T137-R141 VanDerWaalsContact CA-O 3.28Å; T137-R141 WeakPolarHBondContact CA-O 3.37Å; D138-R141 PolarHBondContact N-O 3.07Å; D138-R141 PolarHBondContact O-N 3.16Å
142	G	93.6	Very high	91.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	138	173.3	0	0	0	0	0	111.5	R91 T92 D93 Y169 Y173	R91-G142 PolarHBondContact O-N 3.29Å; T92-G142 CarbonylContact C-O 3.49Å; T92-G142 WeakPolarHBondContact CA-O 3.36Å; D93-G142 PolarHBondContact N-O 3.43Å; G142-Y169 WeakPolarHBondContact CA-OH 3.06Å; G142-Y173 VanDerWaalsContact N-CE1 3.29Å
143	R	95	Very high	92.2	Very high	78 Å²	78	46.2 Å²	46.2	29%	0.294	22%	0.223	S	C	.	.	S	Bend	trans	-86.2	-13.2	-174	-64.1	-177.4	71	-166.7	14.1	113.7	T135 L136 D138 Y169	T135-R143 WeakPolarHBondContact O-CD 3.38Å; T135-R143 PolarHBondContact O-NH1 3.45Å; T135-R143 VanDerWaalsContact O-NH1 3.16Å; L136-R143 WeakPolarHBondContact O-CB 3.48Å; L136-R143 PolarHBondContact O-N 3.07Å; D138-R143 HydrophobicContact CB-CG 4.21Å; R143-Y169 PolarHBondContact N-OH 3.16Å
144	F	97.2	Very high	92.8	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.018	24%	0.236	C	C	.	.			trans	-134.9	136.6	-174	-52	-72.3	0	0	0	111.7	T92 V95 L97 R123 L136 Y169 V175	T92-F144 WeakPolarHBondContact CG2-O 3.25Å; V95-F144 HydrophobicContact CB-CD1 4.11Å; V95-F144 HydrophobicContact CG1-CD1 3.88Å; V95-F144 HydrophobicContact CG1-CE1 4.01Å; V95-F144 CarbonylContact O-C 2.97Å; V95-F144 VanDerWaalsContact O-CA 3.23Å; V95-F144 WeakPolarHBondContact O-CA 3.3Å; L97-F144 HydrophobicContact CB-CB 4.18Å; L97-F144 HydrophobicContact CB-CD1 3.71Å; L97-F144 HydrophobicContact CB-CD2 4.14Å; L97-F144 HydrophobicContact CB-CE1 4.1Å; L97-F144 HydrophobicContact CB-CE2 4.49Å; L97-F144 HydrophobicContact CB-CG 3.73Å; L97-F144 HydrophobicContact CB-CZ 4.47Å; L97-F144 HydrophobicContact CD1-CE1 4.18Å; L97-F144 HydrophobicContact CD1-CE2 4.38Å; L97-F144 HydrophobicContact CD1-CZ 4.04Å; L97-F144 HydrophobicContact CD2-CD2 4.01Å; L97-F144 HydrophobicContact CD2-CE2 4.05Å; L97-F144 HydrophobicContact CD2-CG 4.45Å; R123-F144 HydrophobicContact CB-CE1 3.98Å; L136-F144 HydrophobicContact CD2-CD2 4.07Å; L136-F144 HydrophobicContact CD2-CE2 4.13Å; F144-Y169 PolarHBondContact N-OH 2.82Å; F144-Y169 PolarHBondContact O-OH 3.22Å; F144-V175 VanDerWaalsContact O-CG2 3.25Å; F144-V175 WeakPolarHBondContact O-CG2 3.48Å
145	T	97.3	Very high	93	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-94.6	-15.3	176.9	-179	0	0	0	0	113.3	D93 V95 T309 R312 L313	D93-T145 WeakPolarHBondContact O-CB 3.24Å; D93-T145 PolarHBondContact O-N 2.72Å; V95-T145 PolarHBondContact O-N 3Å; T145-T309 HydrophobicContact CG2-CG2 3.98Å; T145-R312 VanDerWaalsContact OG1-CZ 3.23Å; T145-R312 PolarHBondContact OG1-NH2 3.36Å; T145-L313 HydrophobicContact CG2-CD1 3.69Å; T145-L313 HydrophobicContact CG2-CG 4.15Å
146	L	98.5	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	141.8	-176.3	178.7	68.9	0	0	0	108.8	V96 L97 I148 G176 I178 V305 L308 T309	V96-L146 WeakPolarHBondContact CA-O 3.25Å; V96-L146 HydrophobicContact CG1-CB 4.29Å; V96-L146 HydrophobicContact CG1-CD2 4.08Å; V96-L146 HydrophobicContact CG1-CG 4.26Å; V96-L146 HydrophobicContact CG2-CB 4.34Å; V96-L146 HydrophobicContact CG2-CD2 4.27Å; L97-L146 PolarHBondContact N-O 3.09Å; L146-I148 HydrophobicContact CD2-CD1 4Å; L146-I148 HydrophobicContact CD2-CG1 4.01Å; L146-I148 HydrophobicContact CG-CG1 4.13Å; L146-G176 WeakPolarHBondContact CD1-O 3.29Å; L146-I178 HydrophobicContact CD1-CD1 4.46Å; L146-I178 HydrophobicContact CD1-CG1 4.22Å; L146-I178 HydrophobicContact CD2-CD1 4.05Å; L146-V305 HydrophobicContact CD2-CB 4.35Å; L146-V305 HydrophobicContact CD2-CG1 4.15Å; L146-V305 HydrophobicContact CD2-CG2 3.99Å; L146-L308 HydrophobicContact CD1-CB 3.8Å; L146-L308 HydrophobicContact CD1-CD1 3.83Å; L146-T309 HydrophobicContact CB-CG2 3.91Å; L146-T309 HydrophobicContact CD2-CG2 4.33Å
147	V	98.4	Very high	93.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.9	171.2	-177.5	0	0	0	0	109.1	L97 F99 Y149 L166 V175 G176 I177 I178	L97-V147 HydrophobicContact CB-CG2 4.38Å; L97-V147 CarbonylContact O-C 3.51Å; L97-V147 WeakPolarHBondContact O-CA 3.41Å; F99-V147 HydrophobicContact CD2-CG1 3.8Å; F99-V147 HydrophobicContact CE2-CG1 3.89Å; V147-Y149 HydrophobicContact CG1-CD2 3.97Å; V147-Y149 HydrophobicContact CG1-CE2 3.6Å; V147-L166 HydrophobicContact CG2-CD1 4.36Å; V147-V175 HydrophobicContact CG2-CG1 3.91Å; V147-G176 PolarHBondContact N-O 3.11Å; V147-G176 VanDerWaalsContact N-O 3.09Å; V147-I177 HydrophobicContact CB-CG1 4.4Å; V147-I177 CarbonylContact O-C 3.58Å; V147-I177 VanDerWaalsContact O-CA 3.28Å; V147-I177 WeakPolarHBondContact O-CA 3.49Å; V147-I178 PolarHBondContact O-N 2.88Å
148	I	98.6	Very high	93.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.1	177.3	-54.2	-176	0	0	0	108.5	V96 L97 V98 F99 I111 L115 L146 I178 F180 F301	V96-I148 HydrophobicContact CG1-CD1 3.54Å; V96-I148 HydrophobicContact CG1-CG1 3.69Å; L97-I148 PolarHBondContact O-N 3Å; V98-I148 WeakPolarHBondContact CA-O 3.38Å; V98-I148 HydrophobicContact CG1-CB 4.46Å; V98-I148 HydrophobicContact CG2-CB 4.44Å; F99-I148 PolarHBondContact N-O 3.32Å; I111-I148 HydrophobicContact CD1-CG2 3.97Å; I111-I148 HydrophobicContact CG2-CD1 4.12Å; I111-I148 HydrophobicContact CG2-CG2 4.25Å; L115-I148 HydrophobicContact CD1-CD1 4.4Å; L146-I148 HydrophobicContact CD2-CD1 4Å; L146-I148 HydrophobicContact CD2-CG1 4.01Å; L146-I148 HydrophobicContact CG-CG1 4.13Å; I148-I178 CarbonylContact C-O 3.58Å; I148-I178 WeakPolarHBondContact CA-O 3.45Å; I148-I178 HydrophobicContact CD1-CD1 4.35Å; I148-I178 HydrophobicContact CG1-CB 4.16Å; I148-I178 HydrophobicContact CG1-CD1 4.45Å; I148-I178 HydrophobicContact CG2-CB 4.23Å; I148-I178 HydrophobicContact CG2-CG2 4.43Å; I148-F180 HydrophobicContact CG2-CE2 4.22Å; I148-F301 HydrophobicContact CD1-CE2 3.93Å; I148-F301 HydrophobicContact CD1-CZ 3.81Å
149	Y	97.6	Very high	93.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.2	170.3	-80.7	-89	0	0	0	109.6	F99 V147 N151 K154 Y155 L166 I177 I178 F180	F99-Y149 HydrophobicContact CB-CD1 3.58Å; F99-Y149 HydrophobicContact CB-CE1 3.62Å; F99-Y149 HydrophobicContact CB-CG 4.19Å; F99-Y149 HydrophobicContact CD2-CD1 4.17Å; F99-Y149 HydrophobicContact CD2-CD2 4.29Å; F99-Y149 AromaticContact CD2-CE1 3.56Å; F99-Y149 HydrophobicContact CD2-CE1 3.56Å; F99-Y149 AromaticContact CD2-CE2 3.71Å; F99-Y149 HydrophobicContact CD2-CE2 3.71Å; F99-Y149 HydrophobicContact CD2-CG 4.5Å; F99-Y149 AromaticContact CD2-CZ 3.29Å; F99-Y149 WeakPolarHBondContact CD2-OH 3.34Å; F99-Y149 HydrophobicContact CE2-CE1 4.36Å; F99-Y149 HydrophobicContact CE2-CE2 4.24Å; F99-Y149 AromaticContact CE2-CZ 3.77Å; F99-Y149 WeakPolarHBondContact CE2-OH 3.35Å; F99-Y149 HydrophobicContact CG-CD1 4.14Å; F99-Y149 AromaticContact CG-CE1 3.66Å; F99-Y149 HydrophobicContact CG-CE1 3.66Å; F99-Y149 AromaticContact CG-CZ 3.91Å; V147-Y149 HydrophobicContact CG1-CD2 3.97Å; V147-Y149 HydrophobicContact CG1-CE2 3.6Å; Y149-N151 PolarHBondContact O-N 2.89Å; Y149-K154 HydrophobicContact CD1-CB 4.09Å; Y149-K154 HydrophobicContact CE1-CB 4.26Å; Y149-Y155 HydrophobicContact CD2-CG 4.41Å; Y149-Y155 AromaticContact CE2-CD2 3.85Å; Y149-Y155 HydrophobicContact CE2-CD2 3.85Å; Y149-Y155 HydrophobicContact CE2-CG 4.09Å; Y149-L166 HydrophobicContact CE2-CD2 4.09Å; Y149-L166 WeakPolarHBondContact OH-CD2 3.43Å; Y149-I177 HydrophobicContact CD2-CG2 4.06Å; Y149-I178 PolarHBondContact N-O 3.07Å; Y149-F180 PolarHBondContact O-N 3.25Å; Y149-F180 VanDerWaalsContact O-N 3.1Å
150	E	96.2	Very high	94	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.056	20%	0.198	C	C	.	.	S	Bend	trans	-65.3	-18.7	171.3	81.9	174.4	-159.4	0	0	112.5	F99 V100 E101 S105 L107 G108 I111 F180	F99-E150 PolarHBondContact O-N 2.72Å; V100-E150 VanDerWaalsContact CA-CD 3.44Å; V100-E150 WeakPolarHBondContact CB-OE2 3.47Å; V100-E150 WeakPolarHBondContact CG1-OE2 3.32Å; E101-E150 WeakPolarHBondContact CA-OE1 3.36Å; E101-E150 WeakPolarHBondContact CB-OE1 3.3Å; E101-E150 HydrophobicContact CG-CG 4.16Å; E101-E150 VanDerWaalsContact CG-OE1 3.3Å; E101-E150 WeakPolarHBondContact CG-OE1 3.5Å; E101-E150 VanDerWaalsContact N-CD 3.26Å; E101-E150 PolarHBondContact N-OE1 3.47Å; S105-E150 WeakPolarHBondContact CB-OE1 3.38Å; S105-E150 VanDerWaalsContact CB-OE2 3.3Å; S105-E150 WeakPolarHBondContact CB-OE2 3.28Å; S105-E150 VanDerWaalsContact OG-CD 3.24Å; S105-E150 PolarHBondContact OG-OE1 3.24Å; S105-E150 VanDerWaalsContact OG-OE1 3.14Å; S105-E150 PolarHBondContact OG-OE2 3.1Å; L107-E150 HydrophobicContact CD2-CB 3.93Å; L107-E150 VanDerWaalsContact CD2-O 3.28Å; L107-E150 WeakPolarHBondContact CD2-O 3.46Å; L107-E150 HydrophobicContact CG-CB 4.17Å; G108-E150 WeakPolarHBondContact CA-OE2 3.29Å; G108-E150 PolarHBondContact N-OE2 3.47Å; G108-E150 VanDerWaalsContact N-OE2 3.12Å; I111-E150 HydrophobicContact CD1-CB 4.22Å; E150-F180 WeakPolarHBondContact O-CB 3.25Å
151	N	95	Very high	94.4	Very high	31 Å²	31	38.2 Å²	38.2	17%	0.166	19%	0.185	C	C	.	.	S	Bend	trans	-140	108	170.7	-176.5	-4.8	0	0	0	109.5	E101 Y149 L153 K154 F180	E101-N151 HydrophobicContact CG-CB 4.33Å; E101-N151 PolarHBondContact OE1-ND2 2.83Å; Y149-N151 PolarHBondContact O-N 2.89Å; N151-L153 PolarHBondContact O-N 3.11Å; N151-L153 VanDerWaalsContact O-N 3.12Å; N151-L153 VanDerWaalsContact OD1-CB 3.25Å; N151-L153 WeakPolarHBondContact OD1-CB 3.46Å; N151-L153 PolarHBondContact OD1-N 3.36Å; N151-K154 HydrophobicContact CB-CG 4.19Å; N151-K154 WeakPolarHBondContact O-CB 3.27Å; N151-K154 PolarHBondContact O-N 3.1Å; N151-F180 CarbonylContact C-O 3.51Å; N151-F180 WeakPolarHBondContact CA-O 3.47Å
152	I	95.4	Very high	94.5	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-22.1	-179.4	-167.2	61.1	0	0	0	112.3	K154 Y155 V156 F180 F181 L287	I152-K154 PolarHBondContact O-N 2.97Å; I152-Y155 HydrophobicContact CD1-CD1 3.73Å; I152-Y155 HydrophobicContact CD1-CG 4.27Å; I152-Y155 WeakPolarHBondContact O-CB 3.22Å; I152-Y155 PolarHBondContact O-N 3.41Å; I152-Y155 VanDerWaalsContact O-N 3.13Å; I152-V156 PolarHBondContact O-N 2.86Å; I152-F180 PolarHBondContact N-O 3.46Å; I152-F181 HydrophobicContact CG2-CB 3.88Å; I152-F181 HydrophobicContact CG2-CD2 4.02Å; I152-F181 HydrophobicContact CG2-CG 4.45Å; I152-L287 HydrophobicContact CD1-CD2 4.08Å; I152-L287 HydrophobicContact CG1-CD2 4.07Å
153	L	94.1	Very high	94.4	Very high	59 Å²	59	34.9 Å²	34.9	31%	0.309	17%	0.173	S	C	.	.	H	α-helix	trans	-62.6	-26.3	174.1	-66.6	-173.4	0	0	0	112.7	N151 V156 N157 F181 L193	N151-L153 PolarHBondContact O-N 3.11Å; N151-L153 VanDerWaalsContact O-N 3.12Å; N151-L153 VanDerWaalsContact OD1-CB 3.25Å; N151-L153 WeakPolarHBondContact OD1-CB 3.46Å; N151-L153 PolarHBondContact OD1-N 3.36Å; L153-V156 HydrophobicContact CD2-CG2 4.13Å; L153-N157 VanDerWaalsContact O-CB 3.25Å; L153-N157 WeakPolarHBondContact O-CB 3.45Å; L153-N157 PolarHBondContact O-N 3.2Å; L153-N157 VanDerWaalsContact O-N 3.12Å; L153-N157 PolarHBondContact O-ND2 3.15Å; L153-F181 HydrophobicContact CD1-CD2 4.37Å; L153-F181 HydrophobicContact CD1-CE2 3.69Å; L153-F181 HydrophobicContact CD2-CD2 4.1Å; L153-F181 HydrophobicContact CD2-CE2 3.75Å; L153-F181 HydrophobicContact CG-CD2 3.87Å; L153-F181 HydrophobicContact CG-CE2 3.62Å; L153-L193 HydrophobicContact CD2-CD1 4.17Å
154	K	93.7	Very high	94.4	Very high	86 Å²	86	37.7 Å²	37.7	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-67.4	-39.3	175.5	-62.4	-62.5	-177.5	-177.9	0	111.2	E101 Y149 N151 I152 L158	E101-K154 WeakPolarHBondContact OE1-CE 3.4Å; E101-K154 IonicContact OE1-NZ 3.09Å; Y149-K154 HydrophobicContact CD1-CB 4.09Å; Y149-K154 HydrophobicContact CE1-CB 4.26Å; N151-K154 HydrophobicContact CB-CG 4.19Å; N151-K154 WeakPolarHBondContact O-CB 3.27Å; N151-K154 PolarHBondContact O-N 3.1Å; I152-K154 PolarHBondContact O-N 2.97Å; K154-L158 WeakPolarHBondContact O-CG 3.4Å; K154-L158 PolarHBondContact O-N 2.83Å; K154-L158 VanDerWaalsContact O-N 3.15Å
155	Y	93.6	Very high	94.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.4	-43.2	176.6	171.2	-113.5	0	0	0	112.9	Y149 I152 N157 L158 R163 L166 D167 I177 F196 R285	Y149-Y155 HydrophobicContact CD2-CG 4.41Å; Y149-Y155 AromaticContact CE2-CD2 3.85Å; Y149-Y155 HydrophobicContact CE2-CD2 3.85Å; Y149-Y155 HydrophobicContact CE2-CG 4.09Å; I152-Y155 HydrophobicContact CD1-CD1 3.73Å; I152-Y155 HydrophobicContact CD1-CG 4.27Å; I152-Y155 WeakPolarHBondContact O-CB 3.22Å; I152-Y155 PolarHBondContact O-N 3.41Å; I152-Y155 VanDerWaalsContact O-N 3.13Å; Y155-N157 VanDerWaalsContact C-N 3.3Å; Y155-N157 PolarHBondContact O-N 2.9Å; Y155-L158 HydrophobicContact CD2-CD1 4.2Å; Y155-R163 VanDerWaalsContact CZ-NE 3.32Å; Y155-R163 PolarHBondContact O-NH1 3.47Å; Y155-R163 PolarHBondContact OH-NE 3.2Å; Y155-R163 PolarHBondContact OH-NH2 2.99Å; Y155-L166 HydrophobicContact CD2-CD2 3.9Å; Y155-L166 HydrophobicContact CE2-CD2 3.91Å; Y155-D167 WeakPolarHBondContact CE2-OD1 3.32Å; Y155-D167 PolarHBondContact OH-OD1 3.02Å; Y155-I177 HydrophobicContact CD2-CD1 4.39Å; Y155-I177 HydrophobicContact CE1-CD1 4.18Å; Y155-I177 HydrophobicContact CE2-CD1 3.79Å; Y155-F196 HydrophobicContact CE1-CE2 4.3Å; Y155-F196 AromaticContact CE1-CZ 3.88Å; Y155-F196 HydrophobicContact CE1-CZ 3.88Å; Y155-R285 PolarHBondContact OH-NH2 3.34Å
156	V	93	Very high	94.1	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.055	21%	0.206	C	C	.	.	H	α-helix	trans	-76.3	-18.1	-179.3	-49.3	0	0	0	0	113.9	I152 L153 L193 K194 F196	I152-V156 PolarHBondContact O-N 2.86Å; L153-V156 HydrophobicContact CD2-CG2 4.13Å; V156-L193 HydrophobicContact CB-CD1 4.46Å; V156-L193 HydrophobicContact CG1-CD1 3.79Å; V156-L193 HydrophobicContact CG1-CD2 4.28Å; V156-L193 HydrophobicContact CG1-CG 4Å; V156-L193 HydrophobicContact CG2-CD1 4.08Å; V156-K194 HydrophobicContact CG2-CB 4.45Å; V156-F196 HydrophobicContact CG1-CD2 4.19Å; V156-F196 HydrophobicContact CG1-CE2 3.77Å
157	N	92.5	Very high	94	Very high	92 Å²	92	42.3 Å²	42.3	49%	0.492	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	11.5	177.8	-63.9	-51.5	0	0	0	113.5	L153 Y155	L153-N157 VanDerWaalsContact O-CB 3.25Å; L153-N157 WeakPolarHBondContact O-CB 3.45Å; L153-N157 PolarHBondContact O-N 3.2Å; L153-N157 VanDerWaalsContact O-N 3.12Å; L153-N157 PolarHBondContact O-ND2 3.15Å; Y155-N157 VanDerWaalsContact C-N 3.3Å; Y155-N157 PolarHBondContact O-N 2.9Å
158	L	91.2	Very high	93.9	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.084	24%	0.242	C	C	.	.	S	Bend	trans	-54.2	148.3	165.1	-75.1	174.6	0	0	0	109.8	P128 K154 Y155 N162 R163 L166	P128-L158 HydrophobicContact CG-CD2 4.19Å; K154-L158 WeakPolarHBondContact O-CG 3.4Å; K154-L158 PolarHBondContact O-N 2.83Å; K154-L158 VanDerWaalsContact O-N 3.15Å; Y155-L158 HydrophobicContact CD2-CD1 4.2Å; L158-N162 HydrophobicContact CD2-CB 4.43Å; L158-R163 HydrophobicContact CB-CB 3.95Å; L158-L166 HydrophobicContact CD1-CD2 4.27Å
159	D	90.6	Very high	93.8	Very high	59 Å²	59	49.2 Å²	49.2	32%	0.316	24%	0.244	S	C	.	.			trans	-62	157.3	167.3	65.3	89.7	0	0	0	110.6	W161 N162 R163	D159-W161 VanDerWaalsContact C-N 3.26Å; D159-W161 PolarHBondContact O-N 3.45Å; D159-W161 PolarHBondContact OD1-N 3.45Å; D159-N162 PolarHBondContact O-N 2.88Å; D159-N162 PolarHBondContact OD1-N 3.47Å; D159-N162 WeakPolarHBondContact OD2-CB 3.25Å; D159-N162 PolarHBondContact OD2-ND2 3.29Å; D159-R163 VanDerWaalsContact O-CB 3.27Å; D159-R163 WeakPolarHBondContact O-CB 3.24Å; D159-R163 PolarHBondContact O-N 3.05Å
160	A	90.2	Very high	93.8	Very high	83 Å²	83	49.3 Å²	49.3	69%	0.686	24%	0.244	S	C	*	.	H	α-helix	trans	-57.1	-38.7	-171.4	0	0	0	0	0	113.1	E164	A160-E164 WeakPolarHBondContact O-CB 3.31Å; A160-E164 PolarHBondContact O-N 2.99Å
161	W	90.8	Very high	93.9	Very high	153 Å²	153	52.6 Å²	52.6	58%	0.58	27%	0.265	S	S	*	.	H	α-helix	trans	-70.5	-50.7	-177.5	177.6	78.7	0	0	0	111.8	D159 R163 E164 L165	D159-W161 VanDerWaalsContact C-N 3.26Å; D159-W161 PolarHBondContact O-N 3.45Å; D159-W161 PolarHBondContact OD1-N 3.45Å; W161-R163 VanDerWaalsContact C-N 3.25Å; W161-R163 PolarHBondContact O-N 3.03Å; W161-E164 PolarHBondContact O-N 2.79Å; W161-L165 HydrophobicContact CH2-CD2 4.03Å; W161-L165 HydrophobicContact CZ2-CD2 4.25Å; W161-L165 HydrophobicContact CZ3-CD2 4.44Å; W161-L165 WeakPolarHBondContact O-CB 3.43Å; W161-L165 PolarHBondContact O-N 3.31Å
162	N	91.8	Very high	93.9	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-36.3	176.9	-83.5	-41.6	0	0	0	111.8	G131 M133 L158 D159 L166	G131-N162 PolarHBondContact O-ND2 2.97Å; G131-N162 VanDerWaalsContact O-ND2 3.08Å; M133-N162 HydrophobicContact CG-CB 3.99Å; M133-N162 WeakPolarHBondContact CG-OD1 3.38Å; L158-N162 HydrophobicContact CD2-CB 4.43Å; D159-N162 PolarHBondContact O-N 2.88Å; D159-N162 PolarHBondContact OD1-N 3.47Å; D159-N162 WeakPolarHBondContact OD2-CB 3.25Å; D159-N162 PolarHBondContact OD2-ND2 3.29Å; N162-L166 WeakPolarHBondContact O-CB 3.43Å; N162-L166 PolarHBondContact O-N 3.35Å; N162-L166 VanDerWaalsContact O-N 3.1Å
163	R	92.9	Very high	93.9	Very high	41 Å²	41	56.7 Å²	56.7	16%	0.155	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-49.2	177	-178.6	57.3	-170.8	-93.3	-13.2	111.8	Y155 L158 D159 W161 L165 L166 D167	Y155-R163 VanDerWaalsContact CZ-NE 3.32Å; Y155-R163 PolarHBondContact O-NH1 3.47Å; Y155-R163 PolarHBondContact OH-NE 3.2Å; Y155-R163 PolarHBondContact OH-NH2 2.99Å; L158-R163 HydrophobicContact CB-CB 3.95Å; D159-R163 VanDerWaalsContact O-CB 3.27Å; D159-R163 WeakPolarHBondContact O-CB 3.24Å; D159-R163 PolarHBondContact O-N 3.05Å; W161-R163 VanDerWaalsContact C-N 3.25Å; W161-R163 PolarHBondContact O-N 3.03Å; R163-L165 VanDerWaalsContact C-N 3.33Å; R163-L165 PolarHBondContact O-N 3Å; R163-L166 PolarHBondContact O-N 3.08Å; R163-D167 IonicContact CZ-OD1 3.66Å; R163-D167 IonicContact CZ-OD2 2.79Å; R163-D167 VanDerWaalsContact NE-CG 3.27Å; R163-D167 IonicContact NE-OD1 3.94Å; R163-D167 PolarHBondContact NE-OD1 2.65Å; R163-D167 VanDerWaalsContact NE-OD1 3.09Å; R163-D167 IonicContact NE-OD2 2.74Å; R163-D167 PolarHBondContact NE-OD2 3.27Å; R163-D167 IonicContact NH2-OD2 2.78Å; R163-D167 PolarHBondContact NH2-OD2 3.48Å; R163-D167 WeakPolarHBondContact O-CB 3.49Å; R163-D167 PolarHBondContact O-N 2.69Å
164	E	93.8	Very high	93.9	Very high	138 Å²	138	56.5 Å²	56.5	65%	0.645	30%	0.295	S	S	*	.	H	α-helix	trans	-61.2	-42.6	177.8	-174.8	-178.1	176.7	0	0	111.5	A160 W161 L166 D167 K168	A160-E164 WeakPolarHBondContact O-CB 3.31Å; A160-E164 PolarHBondContact O-N 2.99Å; W161-E164 PolarHBondContact O-N 2.79Å; E164-L166 PolarHBondContact O-N 3.34Å; E164-D167 PolarHBondContact O-N 3.19Å; E164-K168 VanDerWaalsContact O-CB 3.25Å; E164-K168 WeakPolarHBondContact O-CB 3.39Å; E164-K168 PolarHBondContact O-N 3.21Å
165	L	93.9	Very high	94.1	Very high	69 Å²	69	52.6 Å²	52.6	36%	0.361	28%	0.278	S	S	.	.	H	α-helix	trans	-58.5	-47.6	177.2	179.1	64.1	0	0	0	111.9	M133 L136 W161 R163 Y169	M133-L165 HydrophobicContact CB-CD2 4.43Å; L136-L165 HydrophobicContact CD1-CG 4.4Å; W161-L165 HydrophobicContact CH2-CD2 4.03Å; W161-L165 HydrophobicContact CZ2-CD2 4.25Å; W161-L165 HydrophobicContact CZ3-CD2 4.44Å; W161-L165 WeakPolarHBondContact O-CB 3.43Å; W161-L165 PolarHBondContact O-N 3.31Å; R163-L165 VanDerWaalsContact C-N 3.33Å; R163-L165 PolarHBondContact O-N 3Å; L165-Y169 WeakPolarHBondContact O-CB 3Å; L165-Y169 PolarHBondContact O-N 3.49Å; L165-Y169 VanDerWaalsContact O-N 3.07Å
166	L	95.1	Very high	94.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69.2	-43.4	179.7	-177.7	60.3	0	0	0	112	M133 L136 V147 Y149 Y155 L158 N162 R163 E164 K168 Y169 C170	M133-L166 HydrophobicContact CE-CB 4.26Å; M133-L166 HydrophobicContact CE-CD1 4.02Å; M133-L166 HydrophobicContact CE-CD2 4.18Å; M133-L166 HydrophobicContact CE-CG 4.39Å; L136-L166 HydrophobicContact CD1-CD1 4.03Å; V147-L166 HydrophobicContact CG2-CD1 4.36Å; Y149-L166 HydrophobicContact CE2-CD2 4.09Å; Y149-L166 WeakPolarHBondContact OH-CD2 3.43Å; Y155-L166 HydrophobicContact CD2-CD2 3.9Å; Y155-L166 HydrophobicContact CE2-CD2 3.91Å; L158-L166 HydrophobicContact CD1-CD2 4.27Å; N162-L166 WeakPolarHBondContact O-CB 3.43Å; N162-L166 PolarHBondContact O-N 3.35Å; N162-L166 VanDerWaalsContact O-N 3.1Å; R163-L166 PolarHBondContact O-N 3.08Å; E164-L166 PolarHBondContact O-N 3.34Å; L166-K168 PolarHBondContact O-N 2.95Å; L166-Y169 WeakPolarHBondContact O-CB 3.45Å; L166-Y169 PolarHBondContact O-N 2.95Å; L166-C170 PolarHBondContact O-N 2.96Å; L166-C170 PolarHBondContact O-SG 3.06Å; L166-C170 VanDerWaalsContact O-SG 3.32Å
167	D	96.8	Very high	94.6	Very high	32 Å²	32	52.3 Å²	52.3	17%	0.171	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-43.1	179.7	-75	-1.6	0	0	0	110.9	Y155 R163 E164 Y169 C170 V171 I283	Y155-D167 WeakPolarHBondContact CE2-OD1 3.32Å; Y155-D167 PolarHBondContact OH-OD1 3.02Å; R163-D167 IonicContact CZ-OD1 3.66Å; R163-D167 IonicContact CZ-OD2 2.79Å; R163-D167 VanDerWaalsContact NE-CG 3.27Å; R163-D167 IonicContact NE-OD1 3.94Å; R163-D167 PolarHBondContact NE-OD1 2.65Å; R163-D167 VanDerWaalsContact NE-OD1 3.09Å; R163-D167 IonicContact NE-OD2 2.74Å; R163-D167 PolarHBondContact NE-OD2 3.27Å; R163-D167 IonicContact NH2-OD2 2.78Å; R163-D167 PolarHBondContact NH2-OD2 3.48Å; R163-D167 WeakPolarHBondContact O-CB 3.49Å; R163-D167 PolarHBondContact O-N 2.69Å; E164-D167 PolarHBondContact O-N 3.19Å; D167-Y169 VanDerWaalsContact C-N 3.34Å; D167-Y169 PolarHBondContact O-N 3.14Å; D167-C170 PolarHBondContact O-N 3.4Å; D167-V171 WeakPolarHBondContact O-CG2 3.22Å; D167-V171 PolarHBondContact O-N 3.31Å; D167-I283 HydrophobicContact CB-CD1 3.89Å
168	K	96.3	Very high	94.9	Very high	137 Å²	137	47.9 Å²	47.9	60%	0.596	25%	0.253	S	S	*	.	H	α-helix	trans	-59.1	-45.2	173.7	-176.1	178.6	178.9	179.8	0	111.6	E164 L166 C170 V171 E172	E164-K168 VanDerWaalsContact O-CB 3.25Å; E164-K168 WeakPolarHBondContact O-CB 3.39Å; E164-K168 PolarHBondContact O-N 3.21Å; L166-K168 PolarHBondContact O-N 2.95Å; K168-C170 PolarHBondContact O-N 2.79Å; K168-V171 PolarHBondContact O-N 3.37Å; K168-E172 WeakPolarHBondContact O-CB 3.49Å; K168-E172 PolarHBondContact O-N 3.23Å
169	Y	96.6	Very high	95.3	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.027	25%	0.25	C	C	.	.	H	α-helix	trans	-59.1	-46.8	175.3	175.7	-98.2	0	0	0	111.6	L136 T137 G142 R143 F144 L165 L166 D167 V171 E172 Y173 V175	L136-Y169 HydrophobicContact CB-CD1 4.48Å; L136-Y169 HydrophobicContact CB-CD2 3.78Å; L136-Y169 HydrophobicContact CB-CE2 3.95Å; L136-Y169 HydrophobicContact CB-CG 4.07Å; L136-Y169 HydrophobicContact CD1-CD1 4.19Å; L136-Y169 HydrophobicContact CD1-CD2 4.41Å; L136-Y169 HydrophobicContact CD1-CG 3.89Å; L136-Y169 VanDerWaalsContact O-CE2 3.28Å; L136-Y169 WeakPolarHBondContact O-CE2 3.24Å; T137-Y169 HydrophobicContact CG2-CD2 4.06Å; T137-Y169 HydrophobicContact CG2-CE2 4.02Å; G142-Y169 WeakPolarHBondContact CA-OH 3.06Å; R143-Y169 PolarHBondContact N-OH 3.16Å; F144-Y169 PolarHBondContact N-OH 2.82Å; F144-Y169 PolarHBondContact O-OH 3.22Å; L165-Y169 WeakPolarHBondContact O-CB 3Å; L165-Y169 PolarHBondContact O-N 3.49Å; L165-Y169 VanDerWaalsContact O-N 3.07Å; L166-Y169 WeakPolarHBondContact O-CB 3.45Å; L166-Y169 PolarHBondContact O-N 2.95Å; D167-Y169 VanDerWaalsContact C-N 3.34Å; D167-Y169 PolarHBondContact O-N 3.14Å; Y169-V171 PolarHBondContact O-N 2.95Å; Y169-E172 PolarHBondContact O-N 2.92Å; Y169-Y173 AromaticContact CD2-CD2 3.53Å; Y169-Y173 HydrophobicContact CD2-CD2 3.53Å; Y169-Y173 AromaticContact CD2-CE2 3.92Å; Y169-Y173 HydrophobicContact CD2-CE2 3.92Å; Y169-Y173 HydrophobicContact CD2-CG 4.23Å; Y169-Y173 AromaticContact CE2-CD2 3.7Å; Y169-Y173 HydrophobicContact CE2-CD2 3.7Å; Y169-Y173 HydrophobicContact CE2-CE2 4.14Å; Y169-Y173 AromaticContact CE2-CG 3.96Å; Y169-Y173 HydrophobicContact CE2-CG 3.96Å; Y169-Y173 HydrophobicContact CG-CD2 4.29Å; Y169-Y173 WeakPolarHBondContact O-CB 3.32Å; Y169-Y173 WeakPolarHBondContact O-CD2 3.34Å; Y169-Y173 PolarHBondContact O-N 2.98Å; Y169-V175 HydrophobicContact CD1-CG2 4.44Å; Y169-V175 HydrophobicContact CE1-CB 4.18Å; Y169-V175 HydrophobicContact CE1-CG1 4.3Å; Y169-V175 HydrophobicContact CE1-CG2 3.73Å
170	C	97.3	Very high	95.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-43.5	179.3	-71.3	0	0	0	0	112.6	L166 D167 K168 G174 V175 I283	L166-C170 PolarHBondContact O-N 2.96Å; L166-C170 PolarHBondContact O-SG 3.06Å; L166-C170 VanDerWaalsContact O-SG 3.32Å; D167-C170 PolarHBondContact O-N 3.4Å; K168-C170 PolarHBondContact O-N 2.79Å; C170-G174 CarbonylContact O-C 3Å; C170-G174 VanDerWaalsContact O-CA 3.25Å; C170-G174 WeakPolarHBondContact O-CA 3.47Å; C170-G174 PolarHBondContact O-N 2.8Å; C170-V175 WeakPolarHBondContact CB-O 3.3Å; C170-V175 PolarHBondContact O-N 3.3Å; C170-I283 HydrophobicContact CB-CD1 3.82Å; C170-I283 HydrophobicContact CB-CG1 3.88Å; C170-I283 HydrophobicContact CB-CG2 4.17Å
171	V	97	Very high	95.9	Very high	81 Å²	81	41 Å²	41	49%	0.491	21%	0.205	S	C	.	.	H	α-helix	trans	-69.1	-47	178.1	173.8	0	0	0	0	111.7	D167 K168 Y169 Y173 I283	D167-V171 WeakPolarHBondContact O-CG2 3.22Å; D167-V171 PolarHBondContact O-N 3.31Å; K168-V171 PolarHBondContact O-N 3.37Å; Y169-V171 PolarHBondContact O-N 2.95Å; V171-Y173 PolarHBondContact O-N 2.78Å; V171-I283 HydrophobicContact CG2-CD1 4.26Å; V171-I283 HydrophobicContact CG2-CG1 3.76Å
172	E	95.2	Very high	96.1	Very high	92 Å²	92	37.4 Å²	37.4	43%	0.43	19%	0.193	S	C	.	.	H	α-helix	trans	-66.9	-36.8	-175.4	-175	-179.7	154.5	0	0	112.9	R91 K168 Y169	R91-E172 PolarHBondContact NH1-O 3.05Å; K168-E172 WeakPolarHBondContact O-CB 3.49Å; K168-E172 PolarHBondContact O-N 3.23Å; Y169-E172 PolarHBondContact O-N 2.92Å
173	Y	95.3	Very high	96.1	Very high	30 Å²	30	37.5 Å²	37.5	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-104.3	-1.6	-175.6	-68.2	-91.4	0	0	0	114	R91 T92 T137 E140 G142 Y169 V171	R91-Y173 HydrophobicContact CB-CD1 3.81Å; R91-Y173 HydrophobicContact CB-CE1 4.26Å; R91-Y173 WeakPolarHBondContact O-CD1 3.45Å; T92-Y173 HydrophobicContact CG2-CD1 3.87Å; T92-Y173 HydrophobicContact CG2-CG 4.13Å; T137-Y173 HydrophobicContact CG2-CE2 4.1Å; E140-Y173 PolarHBondContact O-OH 2.64Å; G142-Y173 VanDerWaalsContact N-CE1 3.29Å; Y169-Y173 AromaticContact CD2-CD2 3.53Å; Y169-Y173 HydrophobicContact CD2-CD2 3.53Å; Y169-Y173 AromaticContact CD2-CE2 3.92Å; Y169-Y173 HydrophobicContact CD2-CE2 3.92Å; Y169-Y173 HydrophobicContact CD2-CG 4.23Å; Y169-Y173 AromaticContact CE2-CD2 3.7Å; Y169-Y173 HydrophobicContact CE2-CD2 3.7Å; Y169-Y173 HydrophobicContact CE2-CE2 4.14Å; Y169-Y173 AromaticContact CE2-CG 3.96Å; Y169-Y173 HydrophobicContact CE2-CG 3.96Å; Y169-Y173 HydrophobicContact CG-CD2 4.29Å; Y169-Y173 WeakPolarHBondContact O-CB 3.32Å; Y169-Y173 WeakPolarHBondContact O-CD2 3.34Å; Y169-Y173 PolarHBondContact O-N 2.98Å; V171-Y173 PolarHBondContact O-N 2.78Å
174	G	95.5	Very high	95.9	Very high	56 Å²	56	39.7 Å²	39.7	58%	0.577	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	42.7	-179.2	0	0	0	0	0	113	C170	C170-G174 CarbonylContact O-C 3Å; C170-G174 VanDerWaalsContact O-CA 3.25Å; C170-G174 WeakPolarHBondContact O-CA 3.47Å; C170-G174 PolarHBondContact O-N 2.8Å
175	V	97.8	Very high	95.5	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	22%	0.221	C	C	.	.			trans	-95.4	121.4	-177.4	176.2	0	0	0	0	109.9	T92 F144 V147 Y169 C170	T92-V175 HydrophobicContact CG2-CG2 3.97Å; F144-V175 VanDerWaalsContact O-CG2 3.25Å; F144-V175 WeakPolarHBondContact O-CG2 3.48Å; V147-V175 HydrophobicContact CG2-CG1 3.91Å; Y169-V175 HydrophobicContact CD1-CG2 4.44Å; Y169-V175 HydrophobicContact CE1-CB 4.18Å; Y169-V175 HydrophobicContact CE1-CG1 4.3Å; Y169-V175 HydrophobicContact CE1-CG2 3.73Å; C170-V175 WeakPolarHBondContact CB-O 3.3Å; C170-V175 PolarHBondContact O-N 3.3Å
176	G	98.2	Very high	95.1	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	165.4	176.4	0	0	0	0	0	113.8	L146 V147 Q284	L146-G176 WeakPolarHBondContact CD1-O 3.29Å; V147-G176 PolarHBondContact N-O 3.11Å; V147-G176 VanDerWaalsContact N-O 3.09Å; G176-Q284 CarbonylContact C-O 3.47Å; G176-Q284 VanDerWaalsContact CA-O 3.26Å; G176-Q284 WeakPolarHBondContact CA-O 3.37Å
177	I	98.6	Very high	94.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131	-179.9	-55.5	179.6	0	0	0	111.5	V147 Y149 Y155 I283 Q284 R285 V286	V147-I177 HydrophobicContact CB-CG1 4.4Å; V147-I177 CarbonylContact O-C 3.58Å; V147-I177 VanDerWaalsContact O-CA 3.28Å; V147-I177 WeakPolarHBondContact O-CA 3.49Å; Y149-I177 HydrophobicContact CD2-CG2 4.06Å; Y155-I177 HydrophobicContact CD2-CD1 4.39Å; Y155-I177 HydrophobicContact CE1-CD1 4.18Å; Y155-I177 HydrophobicContact CE2-CD1 3.79Å; I177-I283 HydrophobicContact CD1-CG2 3.97Å; I177-I283 HydrophobicContact CG1-CG2 4.05Å; I177-Q284 PolarHBondContact N-O 2.94Å; I177-R285 HydrophobicContact CB-CG 4.15Å; I177-R285 CarbonylContact O-C 3.56Å; I177-R285 WeakPolarHBondContact O-CA 3.24Å; I177-R285 WeakPolarHBondContact O-CB 3.39Å; I177-V286 PolarHBondContact O-N 3.46Å
178	I	98.8	Very high	94	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.6	163.1	-58.7	177.3	0	0	0	108.5	L146 V147 I148 Y149 F180 V286 F288 F301 A304 V305 L308	L146-I178 HydrophobicContact CD1-CD1 4.46Å; L146-I178 HydrophobicContact CD1-CG1 4.22Å; L146-I178 HydrophobicContact CD2-CD1 4.05Å; V147-I178 PolarHBondContact O-N 2.88Å; I148-I178 CarbonylContact C-O 3.58Å; I148-I178 WeakPolarHBondContact CA-O 3.45Å; I148-I178 HydrophobicContact CD1-CD1 4.35Å; I148-I178 HydrophobicContact CG1-CB 4.16Å; I148-I178 HydrophobicContact CG1-CD1 4.45Å; I148-I178 HydrophobicContact CG2-CB 4.23Å; I148-I178 HydrophobicContact CG2-CG2 4.43Å; Y149-I178 PolarHBondContact N-O 3.07Å; I178-F180 HydrophobicContact CG2-CD2 4.46Å; I178-F180 HydrophobicContact CG2-CE2 3.84Å; I178-F180 HydrophobicContact CG2-CZ 4.32Å; I178-V286 WeakPolarHBondContact CA-O 3.47Å; I178-F288 HydrophobicContact CG2-CD2 4.04Å; I178-F288 HydrophobicContact CG2-CE2 3.82Å; I178-F301 HydrophobicContact CD1-CD2 4.17Å; I178-F301 HydrophobicContact CD1-CE2 3.89Å; I178-F301 HydrophobicContact CG2-CD2 4.24Å; I178-F301 HydrophobicContact CG2-CE2 4.2Å; I178-A304 HydrophobicContact CD1-CB 3.85Å; I178-A304 HydrophobicContact CG1-CB 4.39Å; I178-V305 HydrophobicContact CD1-CG2 3.76Å; I178-L308 HydrophobicContact CD1-CD1 4.37Å; I178-L308 HydrophobicContact CG1-CD1 3.58Å
179	G	98.3	Very high	93.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.8	179.7	0	0	0	0	0	112.2	V286 L287 F288	G179-V286 PolarHBondContact N-O 3.19Å; G179-L287 CarbonylContact O-C 3.52Å; G179-L287 VanDerWaalsContact O-CA 3.32Å; G179-L287 WeakPolarHBondContact O-CA 3.26Å; G179-F288 PolarHBondContact O-N 3.39Å
180	F	98.3	Very high	93	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.9	171.2	-65.6	-96.4	0	0	0	110.2	L107 I111 I148 Y149 E150 N151 I152 I178 F288 N290 L292 F301	L107-F180 HydrophobicContact CD1-CD1 4.3Å; L107-F180 HydrophobicContact CD1-CE1 4.32Å; L107-F180 HydrophobicContact CD2-CB 3.69Å; L107-F180 HydrophobicContact CD2-CD1 4.08Å; L107-F180 HydrophobicContact CD2-CD2 4.14Å; L107-F180 HydrophobicContact CD2-CG 3.71Å; I111-F180 HydrophobicContact CD1-CD2 4.06Å; I111-F180 HydrophobicContact CD1-CE2 3.69Å; I111-F180 HydrophobicContact CD1-CZ 4.39Å; I111-F180 HydrophobicContact CG1-CE2 4.16Å; I111-F180 HydrophobicContact CG1-CZ 4.44Å; I148-F180 HydrophobicContact CG2-CE2 4.22Å; Y149-F180 PolarHBondContact O-N 3.25Å; Y149-F180 VanDerWaalsContact O-N 3.1Å; E150-F180 WeakPolarHBondContact O-CB 3.25Å; N151-F180 CarbonylContact C-O 3.51Å; N151-F180 WeakPolarHBondContact CA-O 3.47Å; I152-F180 PolarHBondContact N-O 3.46Å; I178-F180 HydrophobicContact CG2-CD2 4.46Å; I178-F180 HydrophobicContact CG2-CE2 3.84Å; I178-F180 HydrophobicContact CG2-CZ 4.32Å; F180-F288 HydrophobicContact CD1-CB 3.49Å; F180-F288 VanDerWaalsContact CD1-CB 3.49Å; F180-F288 HydrophobicContact CD1-CD2 4.25Å; F180-F288 AromaticContact CD1-CG 3.93Å; F180-F288 HydrophobicContact CD1-CG 3.93Å; F180-F288 HydrophobicContact CE1-CB 3.75Å; F180-F288 HydrophobicContact CE1-CD1 4.14Å; F180-F288 AromaticContact CE1-CD2 3.84Å; F180-F288 HydrophobicContact CE1-CD2 3.84Å; F180-F288 AromaticContact CE1-CG 3.64Å; F180-F288 HydrophobicContact CE1-CG 3.64Å; F180-F288 HydrophobicContact CG-CB 4.24Å; F180-F288 HydrophobicContact CZ-CD2 4.03Å; F180-F288 HydrophobicContact CZ-CE2 4.38Å; F180-F288 HydrophobicContact CZ-CG 4.29Å; F180-N290 WeakPolarHBondContact CD1-O 3.3Å; F180-L292 HydrophobicContact CE1-CD2 3.67Å; F180-L292 HydrophobicContact CE1-CG 3.81Å; F180-L292 HydrophobicContact CZ-CD1 4.23Å; F180-L292 HydrophobicContact CZ-CD2 3.85Å; F180-L292 HydrophobicContact CZ-CG 3.97Å; F180-F301 HydrophobicContact CE2-CD2 4.33Å; F180-F301 HydrophobicContact CE2-CE2 4.26Å; F180-F301 AromaticContact CZ-CD2 3.8Å; F180-F301 HydrophobicContact CZ-CD2 3.8Å; F180-F301 HydrophobicContact CZ-CE2 4.14Å
181	F	96.4	Very high	92.7	Very high	13 Å²	13	55.3 Å²	55.3	6%	0.057	31%	0.308	C	S	.	.			trans	-133.2	112	168.7	-173.7	-83.6	0	0	0	108	I152 L153 L200 S202 T237 F288 G289 N290	I152-F181 HydrophobicContact CG2-CB 3.88Å; I152-F181 HydrophobicContact CG2-CD2 4.02Å; I152-F181 HydrophobicContact CG2-CG 4.45Å; L153-F181 HydrophobicContact CD1-CD2 4.37Å; L153-F181 HydrophobicContact CD1-CE2 3.69Å; L153-F181 HydrophobicContact CD2-CD2 4.1Å; L153-F181 HydrophobicContact CD2-CE2 3.75Å; L153-F181 HydrophobicContact CG-CD2 3.87Å; L153-F181 HydrophobicContact CG-CE2 3.62Å; F181-L200 HydrophobicContact CD1-CD1 4.5Å; F181-L200 HydrophobicContact CD2-CD1 3.95Å; F181-L200 HydrophobicContact CE1-CD1 4.4Å; F181-L200 HydrophobicContact CE2-CD1 3.81Å; F181-L200 HydrophobicContact CG-CD1 4.29Å; F181-L200 HydrophobicContact CZ-CD1 4.05Å; F181-S202 WeakPolarHBondContact CE1-OG 3.45Å; F181-T237 HydrophobicContact CD1-CG2 3.69Å; F181-T237 WeakPolarHBondContact CD1-OG1 3.43Å; F181-T237 HydrophobicContact CE1-CG2 4.02Å; F181-T237 WeakPolarHBondContact CE1-OG1 3.32Å; F181-F288 PolarHBondContact N-O 3.26Å; F181-G289 CarbonylContact O-C 3.58Å; F181-G289 WeakPolarHBondContact O-CA 3.2Å; F181-N290 PolarHBondContact O-N 3.23Å
182	K	93.4	Very high	92.5	Very high	77 Å²	77	56.7 Å²	56.7	34%	0.335	31%	0.309	S	S	.	.			trans	-109.9	126.9	172.7	177.9	177.9	178.8	179.5	0	108.5	D235 N291	K182-D235 WeakPolarHBondContact CE-OD2 3.45Å; K182-D235 IonicContact NZ-OD2 3.05Å; K182-D235 PolarHBondContact NZ-OD2 3.06Å; K182-N291 WeakPolarHBondContact CB-OD1 3.4Å; K182-N291 HydrophobicContact CD-CB 4.44Å; K182-N291 WeakPolarHBondContact CD-ND2 3.45Å; K182-N291 WeakPolarHBondContact CD-OD1 3.25Å
183	A	91.9	Very high	92.5	Very high	5 Å²	5	52.6 Å²	52.6	4%	0.041	29%	0.29	C	S	.	.			trans	-68.5	155.1	178.8	0	0	0	0	0	111.4	N203 D235	A183-N203 WeakPolarHBondContact CB-OD1 3.49Å; A183-D235 WeakPolarHBondContact CB-O 3.27Å; A183-D235 PolarHBondContact N-O 3Å
184	N	89.9	Confident	92.3	Very high	87 Å²	87	57.7 Å²	57.7	47%	0.465	31%	0.313	S	S	.	.			trans	-138.2	176.6	171.3	61.1	39.2	0	0	0	109.6	N186 S187 N203	N184-N186 PolarHBondContact O-N 3.39Å; N184-N186 VanDerWaalsContact O-N 3.08Å; N184-N186 WeakPolarHBondContact OD1-CA 3.39Å; N184-N186 PolarHBondContact OD1-N 3.48Å; N184-S187 PolarHBondContact N-OG 3.49Å; N184-S187 WeakPolarHBondContact O-CB 3.14Å; N184-S187 PolarHBondContact O-N 3.41Å; N184-S187 PolarHBondContact O-OG 3.26Å; N184-S187 PolarHBondContact OD1-N 3.25Å; N184-S187 PolarHBondContact OD1-OG 3.16Å; N184-N203 PolarHBondContact O-ND2 3.03Å; N184-N203 VanDerWaalsContact O-ND2 3.13Å; N184-N203 PolarHBondContact O-OD1 2.83Å
185	E	84.8	Confident	92.1	Very high	191 Å²	191	58 Å²	58	89%	0.893	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.4	-178.5	-62.9	178.3	-179	0	0	113.5
186	N	85.8	Confident	92	Very high	152 Å²	152	58.2 Å²	58.2	81%	0.813	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.8	179.2	-62.2	-41.1	0	0	0	113.3	N184	N184-N186 PolarHBondContact O-N 3.39Å; N184-N186 VanDerWaalsContact O-N 3.08Å; N184-N186 WeakPolarHBondContact OD1-CA 3.39Å; N184-N186 PolarHBondContact OD1-N 3.48Å
187	S	86.3	Confident	91.9	Very high	22 Å²	22	59.6 Å²	59.6	15%	0.154	33%	0.325	C	S	.	.	S	Bend	trans	-75.4	130.5	-178.8	-61.2	0	0	0	0	110.2	N184	N184-S187 PolarHBondContact N-OG 3.49Å; N184-S187 WeakPolarHBondContact O-CB 3.14Å; N184-S187 PolarHBondContact O-N 3.41Å; N184-S187 PolarHBondContact O-OG 3.26Å; N184-S187 PolarHBondContact OD1-N 3.25Å; N184-S187 PolarHBondContact OD1-OG 3.16Å
188	L	82.8	Confident	91.7	Very high	121 Å²	121	59.7 Å²	59.7	63%	0.634	33%	0.325	S	S	*	.			trans	-60.6	139	174	-62.8	175.8	0	0	0	109.9	S190 A191	L188-S190 PolarHBondContact O-N 3.31Å; L188-A191 HydrophobicContact CB-CB 4.1Å; L188-A191 HydrophobicContact CD1-CB 4Å
189	L	81.8	Confident	91.6	Very high	133 Å²	133	63.7 Å²	63.7	70%	0.696	34%	0.343	S	S	*	.	S	Bend	trans	-58.3	-37.8	178.3	-71.7	173	0	0	0	111.9	H201 S202	L189-H201 CarbonylContact O-C 3.45Å; L189-H201 VanDerWaalsContact O-CA 3.25Å; L189-H201 WeakPolarHBondContact O-CA 3.4Å; L189-S202 PolarHBondContact O-N 2.73Å
190	S	89.1	Confident	91.4	Very high	62 Å²	62	64 Å²	64	43%	0.434	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	128	173.2	-167.3	0	0	0	0	110	L188 L200 H201	L188-S190 PolarHBondContact O-N 3.31Å; S190-L200 WeakPolarHBondContact CA-O 3.48Å; S190-H201 WeakPolarHBondContact CB-ND1 3.32Å; S190-H201 PolarHBondContact OG-CE1 3.43Å; S190-H201 PolarHBondContact OG-ND1 3.24Å
191	A	91.4	Very high	91.2	Very high	32 Å²	32	64.9 Å²	64.9	26%	0.264	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.7	176	0	0	0	0	0	111.7	L188 L200	L188-A191 HydrophobicContact CB-CB 4.1Å; L188-A191 HydrophobicContact CD1-CB 4Å; A191-L200 PolarHBondContact N-O 3.14Å; A191-L200 PolarHBondContact O-N 2.99Å
192	Q	94	Very high	91	Very high	110 Å²	110	64.4 Å²	64.4	51%	0.514	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.4	168.8	-167.6	177.4	4	0	0	109.8	K194 F196 F199	Q192-K194 PolarHBondContact O-N 3.33Å; Q192-F196 WeakPolarHBondContact CG-O 3.39Å; Q192-F196 PolarHBondContact NE2-O 3.04Å; Q192-F199 HydrophobicContact CB-CD1 3.92Å; Q192-F199 HydrophobicContact CB-CE1 3.71Å; Q192-F199 HydrophobicContact CB-CZ 4.19Å; Q192-F199 HydrophobicContact CG-CD1 4.41Å; Q192-F199 HydrophobicContact CG-CE1 4.14Å; Q192-F199 HydrophobicContact CG-CE2 4.42Å; Q192-F199 HydrophobicContact CG-CZ 4.13Å
193	L	93.5	Very high	91	Very high	7 Å²	7	63.4 Å²	63.4	4%	0.037	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-66.1	118.8	171.6	-175.4	68.5	0	0	0	108.7	L153 V156 G195 F196 L198 L200	L153-L193 HydrophobicContact CD2-CD1 4.17Å; V156-L193 HydrophobicContact CB-CD1 4.46Å; V156-L193 HydrophobicContact CG1-CD1 3.79Å; V156-L193 HydrophobicContact CG1-CD2 4.28Å; V156-L193 HydrophobicContact CG1-CG 4Å; V156-L193 HydrophobicContact CG2-CD1 4.08Å; L193-G195 PolarHBondContact O-N 3.3Å; L193-F196 HydrophobicContact CB-CB 4.3Å; L193-F196 HydrophobicContact CD2-CB 4.23Å; L193-F196 HydrophobicContact CD2-CD2 3.76Å; L193-F196 HydrophobicContact CD2-CE2 4.44Å; L193-F196 HydrophobicContact CD2-CG 4.1Å; L193-F196 HydrophobicContact CG-CB 4.4Å; L193-F196 HydrophobicContact CG-CD2 3.9Å; L193-F196 HydrophobicContact CG-CG 4.47Å; L193-F196 PolarHBondContact O-N 3.08Å; L193-L198 HydrophobicContact CB-CB 4.47Å; L193-L198 HydrophobicContact CD2-CD2 4.23Å; L193-L198 PolarHBondContact N-O 3.07Å; L193-L200 HydrophobicContact CB-CD1 4.37Å; L193-L200 HydrophobicContact CB-CG 4.49Å; L193-L200 HydrophobicContact CD1-CD1 4.1Å
194	K	92.9	Very high	90.9	Very high	137 Å²	137	64 Å²	64	60%	0.596	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	122.4	-173.7	-176.4	-175.3	176.7	-170.1	0	111.9	V156 Q192 F196	V156-K194 HydrophobicContact CG2-CB 4.45Å; Q192-K194 PolarHBondContact O-N 3.33Å; K194-F196 VanDerWaalsContact C-N 3.33Å; K194-F196 VanDerWaalsContact O-CD2 3.26Å; K194-F196 WeakPolarHBondContact O-CD2 3.44Å
195	G	90.9	Very high	91	Very high	63 Å²	63	60.4 Å²	60.4	65%	0.649	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	4.6	178.8	0	0	0	0	0	115	L193	L193-G195 PolarHBondContact O-N 3.3Å
196	F	95.4	Very high	91.5	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.031	29%	0.289	C	S	.	.	S	Bend	trans	-126.8	145.5	-178.6	-66.5	-84.6	0	0	0	111.6	Y155 V156 Q192 L193 K194 L198 Y246 D281	Y155-F196 HydrophobicContact CE1-CE2 4.3Å; Y155-F196 AromaticContact CE1-CZ 3.88Å; Y155-F196 HydrophobicContact CE1-CZ 3.88Å; V156-F196 HydrophobicContact CG1-CD2 4.19Å; V156-F196 HydrophobicContact CG1-CE2 3.77Å; Q192-F196 WeakPolarHBondContact CG-O 3.39Å; Q192-F196 PolarHBondContact NE2-O 3.04Å; L193-F196 HydrophobicContact CB-CB 4.3Å; L193-F196 HydrophobicContact CD2-CB 4.23Å; L193-F196 HydrophobicContact CD2-CD2 3.76Å; L193-F196 HydrophobicContact CD2-CE2 4.44Å; L193-F196 HydrophobicContact CD2-CG 4.1Å; L193-F196 HydrophobicContact CG-CB 4.4Å; L193-F196 HydrophobicContact CG-CD2 3.9Å; L193-F196 HydrophobicContact CG-CG 4.47Å; L193-F196 PolarHBondContact O-N 3.08Å; K194-F196 VanDerWaalsContact C-N 3.33Å; K194-F196 VanDerWaalsContact O-CD2 3.26Å; K194-F196 WeakPolarHBondContact O-CD2 3.44Å; F196-L198 HydrophobicContact CB-CB 4.2Å; F196-L198 PolarHBondContact O-N 2.83Å; F196-Y246 WeakPolarHBondContact CD1-OH 3.32Å; F196-D281 WeakPolarHBondContact CE1-OD2 3.32Å
197	P	94.8	Very high	91.9	Very high	32 Å²	32	47.5 Å²	47.5	21%	0.208	27%	0.265	C	S	.	.	S	Bend	trans	-79	52.8	171.7	31.8	-31.2	0	0	0	110.5	S241 H243 Y246	P197-S241 VanDerWaalsContact O-CB 3.3Å; P197-S241 WeakPolarHBondContact O-CB 3.33Å; P197-S241 PolarHBondContact O-OG 3.32Å; P197-H243 HydrophobicContact CB-CB 4.13Å; P197-H243 HydrophobicContact CG-CB 3.89Å; P197-Y246 HydrophobicContact CG-CE2 4.16Å
198	L	96.1	Very high	92.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.268	C	S	.	.			trans	-136.3	125.1	-174.3	-171.7	67.6	0	0	0	110	L193 F196 F239 Y246 L287	L193-L198 HydrophobicContact CB-CB 4.47Å; L193-L198 HydrophobicContact CD2-CD2 4.23Å; L193-L198 PolarHBondContact N-O 3.07Å; F196-L198 HydrophobicContact CB-CB 4.2Å; F196-L198 PolarHBondContact O-N 2.83Å; L198-F239 HydrophobicContact CD1-CB 4.09Å; L198-F239 HydrophobicContact CD1-CD1 4.46Å; L198-F239 HydrophobicContact CD2-CD1 3.86Å; L198-F239 HydrophobicContact CD2-CE1 4.42Å; L198-F239 HydrophobicContact CG-CD1 4.28Å; L198-Y246 HydrophobicContact CB-CE1 4.42Å; L198-Y246 HydrophobicContact CB-CE2 4.01Å; L198-Y246 HydrophobicContact CD1-CD1 3.95Å; L198-Y246 HydrophobicContact CD1-CD2 4.02Å; L198-Y246 HydrophobicContact CD1-CE1 4.05Å; L198-Y246 HydrophobicContact CD1-CE2 4.11Å; L198-Y246 HydrophobicContact CD1-CG 3.93Å; L198-Y246 HydrophobicContact CD2-CD1 4.35Å; L198-Y246 HydrophobicContact CD2-CE1 3.81Å; L198-Y246 HydrophobicContact CG-CE1 4.33Å; L198-L287 HydrophobicContact CD2-CD1 3.49Å; L198-L287 VanDerWaalsContact CD2-CD1 3.49Å
199	F	95.3	Very high	92.8	Very high	85 Å²	85	42.6 Å²	42.6	37%	0.373	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.7	176.2	-68.1	-94.6	0	0	0	110.3	Q192 F239 Q240	Q192-F199 HydrophobicContact CB-CD1 3.92Å; Q192-F199 HydrophobicContact CB-CE1 3.71Å; Q192-F199 HydrophobicContact CB-CZ 4.19Å; Q192-F199 HydrophobicContact CG-CD1 4.41Å; Q192-F199 HydrophobicContact CG-CE1 4.14Å; Q192-F199 HydrophobicContact CG-CE2 4.42Å; Q192-F199 HydrophobicContact CG-CZ 4.13Å; F199-F239 WeakPolarHBondContact O-CA 3.37Å; F199-Q240 HydrophobicContact CB-CB 4.41Å; F199-Q240 PolarHBondContact N-O 2.58Å; F199-Q240 PolarHBondContact O-N 3.21Å
200	L	95.1	Very high	93.4	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.9	176.1	-58.7	172.7	0	0	0	108.3	F181 S190 A191 L193 T237 F239	F181-L200 HydrophobicContact CD1-CD1 4.5Å; F181-L200 HydrophobicContact CD2-CD1 3.95Å; F181-L200 HydrophobicContact CE1-CD1 4.4Å; F181-L200 HydrophobicContact CE2-CD1 3.81Å; F181-L200 HydrophobicContact CG-CD1 4.29Å; F181-L200 HydrophobicContact CZ-CD1 4.05Å; S190-L200 WeakPolarHBondContact CA-O 3.48Å; A191-L200 PolarHBondContact N-O 3.14Å; A191-L200 PolarHBondContact O-N 2.99Å; L193-L200 HydrophobicContact CB-CD1 4.37Å; L193-L200 HydrophobicContact CB-CG 4.49Å; L193-L200 HydrophobicContact CD1-CD1 4.1Å; L200-T237 HydrophobicContact CB-CG2 3.86Å; L200-T237 HydrophobicContact CD2-CG2 3.87Å; L200-T237 HydrophobicContact CG-CG2 4.42Å; L200-F239 HydrophobicContact CD2-CD1 3.43Å; L200-F239 VanDerWaalsContact CD2-CD1 3.43Å; L200-F239 HydrophobicContact CD2-CE1 3.32Å; L200-F239 HydrophobicContact CD2-CZ 4.46Å
201	H	93.4	Very high	93.7	Very high	17 Å²	17	36.2 Å²	36.2	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.4	171.4	-57.8	-85.5	0	0	0	109.3	L189 S190 L204 T237 V238 Q240 L263	L189-H201 CarbonylContact O-C 3.45Å; L189-H201 VanDerWaalsContact O-CA 3.25Å; L189-H201 WeakPolarHBondContact O-CA 3.4Å; S190-H201 WeakPolarHBondContact CB-ND1 3.32Å; S190-H201 PolarHBondContact OG-CE1 3.43Å; S190-H201 PolarHBondContact OG-ND1 3.24Å; H201-L204 HydrophobicContact CB-CD1 4.36Å; H201-T237 CarbonylContact O-C 3.34Å; H201-T237 WeakPolarHBondContact O-CA 3.25Å; H201-V238 HydrophobicContact CB-CG2 3.82Å; H201-V238 PolarHBondContact N-O 3.06Å; H201-V238 PolarHBondContact O-N 3.41Å; H201-Q240 PolarHBondContact NE2-OE1 2.89Å; H201-L263 HydrophobicContact CB-CD2 4.22Å; H201-L263 VanDerWaalsContact CD2-CD2 3.4Å; H201-L263 WeakPolarHBondContact CD2-CD2 3.49Å; H201-L263 VanDerWaalsContact CE1-CD2 3.45Å; H201-L263 WeakPolarHBondContact CE1-CD2 3.41Å; H201-L263 VanDerWaalsContact NE2-CD2 3.33Å; H201-L263 WeakPolarHBondContact NE2-CD2 3.41Å
202	S	93.6	Very high	93.9	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	167.7	-160.2	-59.4	0	0	0	0	113.3	F181 L189 W236 T237	F181-S202 WeakPolarHBondContact CE1-OG 3.45Å; L189-S202 PolarHBondContact O-N 2.73Å; S202-W236 CarbonylContact C-O 3.51Å; S202-T237 PolarHBondContact OG-OG1 3.41Å
203	N	91.4	Very high	93.9	Very high	56 Å²	56	35 Å²	35	30%	0.299	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.5	47.1	-179.6	-63.8	-38.4	0	0	0	112.5	A183 N184 D234 W236	A183-N203 WeakPolarHBondContact CB-OD1 3.49Å; N184-N203 PolarHBondContact O-ND2 3.03Å; N184-N203 VanDerWaalsContact O-ND2 3.13Å; N184-N203 PolarHBondContact O-OD1 2.83Å; N203-D234 CarbonylContact C-O 3.6Å; N203-D234 VanDerWaalsContact CA-O 3.28Å; N203-D234 WeakPolarHBondContact CA-O 3.47Å; N203-W236 PolarHBondContact N-O 3.28Å
204	L	91.2	Very high	93.8	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.089	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133	178.1	-59.3	176.6	0	0	0	111.5	H201 L206 D234 W236 V238	H201-L204 HydrophobicContact CB-CD1 4.36Å; L204-L206 HydrophobicContact CB-CD2 4.02Å; L204-L206 HydrophobicContact CB-CG 4.44Å; L204-D234 CarbonylContact C-O 3.56Å; L204-D234 PolarHBondContact N-O 2.91Å; L204-D234 VanDerWaalsContact N-O 3.1Å; L204-D234 CarbonylContact O-C 3.45Å; L204-W236 PolarHBondContact N-O 2.67Å; L204-W236 VanDerWaalsContact N-O 3.09Å; L204-W236 VanDerWaalsContact O-CB 3.25Å; L204-W236 WeakPolarHBondContact O-CB 3.25Å; L204-W236 PolarHBondContact O-N 3.37Å; L204-V238 HydrophobicContact CD1-CG1 4.19Å; L204-V238 HydrophobicContact CD1-CG2 3.66Å
205	G	92.2	Very high	93.8	Very high	12 Å²	12	37.3 Å²	37.3	12%	0.124	21%	0.207	C	C	.	.			trans	-76.2	123.1	159.2	0	0	0	0	0	109.9	D234 Q255	G205-D234 WeakPolarHBondContact CA-OD1 3.5Å; G205-Q255 PolarHBondContact O-N 2.92Å
206	L	93.9	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	158.2	-178.9	-59	-178.1	0	0	0	112.4	L204 L231 W236 V238 A252 K253 T254 Q255	L204-L206 HydrophobicContact CB-CD2 4.02Å; L204-L206 HydrophobicContact CB-CG 4.44Å; L206-L231 HydrophobicContact CB-CB 4.27Å; L206-L231 HydrophobicContact CB-CD1 3.46Å; L206-L231 VanDerWaalsContact CB-CD1 3.46Å; L206-L231 HydrophobicContact CB-CG 4.27Å; L206-L231 HydrophobicContact CD1-CD1 4.23Å; L206-L231 HydrophobicContact CG-CD1 4.5Å; L206-L231 WeakPolarHBondContact O-CB 3.46Å; L206-L231 PolarHBondContact O-N 3.47Å; L206-W236 HydrophobicContact CB-CG 4.44Å; L206-W236 HydrophobicContact CD1-CB 3.56Å; L206-W236 HydrophobicContact CD1-CD2 3.84Å; L206-W236 HydrophobicContact CD1-CE3 3.77Å; L206-W236 HydrophobicContact CD1-CG 3.75Å; L206-W236 HydrophobicContact CG-CB 3.82Å; L206-W236 HydrophobicContact CG-CD2 4.43Å; L206-W236 HydrophobicContact CG-CG 3.97Å; L206-V238 HydrophobicContact CD1-CG1 3.89Å; L206-V238 HydrophobicContact CD2-CG1 4.11Å; L206-A252 HydrophobicContact CB-CB 4.16Å; L206-A252 HydrophobicContact CD1-CB 4.18Å; L206-K253 CarbonylContact C-O 3.53Å; L206-K253 VanDerWaalsContact CA-O 3.23Å; L206-K253 WeakPolarHBondContact CA-O 3.32Å; L206-T254 HydrophobicContact CD2-CG2 4.48Å; L206-Q255 PolarHBondContact O-NE2 2.92Å
207	K	94.2	Very high	93.8	Very high	73 Å²	73	37.7 Å²	37.7	32%	0.317	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	168.4	176.5	67	-178.1	-178.6	-162.3	0	111.8	G229 K253 T254 Q255	K207-G229 CarbonylContact C-O 3.54Å; K207-G229 WeakPolarHBondContact CA-O 3.38Å; K207-G229 VanDerWaalsContact CB-O 3.26Å; K207-G229 WeakPolarHBondContact CB-O 3.27Å; K207-K253 HydrophobicContact CG-CB 4.06Å; K207-K253 PolarHBondContact N-O 2.83Å; K207-K253 PolarHBondContact O-N 3.44Å; K207-T254 VanDerWaalsContact CE-O 3.28Å; K207-T254 WeakPolarHBondContact CE-O 3.43Å; K207-Q255 HydrophobicContact CB-CG 4.09Å; K207-Q255 HydrophobicContact CD-CG 4.31Å; K207-Q255 HydrophobicContact CG-CG 4.29Å; K207-Q255 PolarHBondContact NZ-O 2.89Å
208	D	93.4	Very high	93.8	Very high	40 Å²	40	37.9 Å²	37.9	21%	0.214	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.6	60.5	171	-56.4	-29.5	0	0	0	113.2	T226 L227 P228 G229 K253	D208-T226 HydrophobicContact CB-CG2 4.04Å; D208-L227 CarbonylContact C-O 3.54Å; D208-L227 WeakPolarHBondContact CA-O 3.4Å; D208-P228 WeakPolarHBondContact OD1-CA 3.21Å; D208-G229 PolarHBondContact N-O 3.01Å; D208-G229 PolarHBondContact OD1-N 3.49Å; D208-K253 HydrophobicContact CB-CD 4.21Å; D208-K253 HydrophobicContact CB-CG 4.18Å
209	C	94.9	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	140	-174.6	-173.2	0	0	0	0	112.5	T226 L227 L231 M251 A252 F294	C209-T226 CarbonylContact O-C 3.59Å; C209-L227 PolarHBondContact N-O 2.89Å; C209-L227 VanDerWaalsContact N-O 3.08Å; C209-L227 PolarHBondContact O-N 3.05Å; C209-L231 HydrophobicContact CB-CD1 4.16Å; C209-L231 HydrophobicContact CB-CD2 4.01Å; C209-L231 HydrophobicContact CB-CG 4.46Å; C209-M251 CarbonylContact C-O 3.6Å; C209-M251 WeakPolarHBondContact CA-O 3.41Å; C209-A252 HydrophobicContact CB-CB 4.3Å; C209-F294 HydrophobicContact CB-CZ 4.31Å
210	M	94.8	Very high	93.8	Very high	59 Å²	59	35.7 Å²	35.7	29%	0.291	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.5	-177.9	-176.2	178.8	69.6	0	0	111.2	M251 M269	M210-M251 HydrophobicContact CE-CE 3.7Å; M210-M251 PolarHBondContact N-O 2.95Å; M210-M251 PolarHBondContact O-N 2.88Å; M210-M269 HydrophobicContact CB-CE 3.77Å; M210-M269 HydrophobicContact CE-CE 4.14Å
211	V	96.2	Very high	93.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131	171.5	-174.1	0	0	0	0	109.7	P213 L218 T221 A223 L250 L296	V211-P213 VanDerWaalsContact O-CD 3.23Å; V211-P213 WeakPolarHBondContact O-CD 3.39Å; V211-L218 HydrophobicContact CG1-CD1 3.54Å; V211-L218 HydrophobicContact CG1-CD2 3.75Å; V211-L218 HydrophobicContact CG1-CG 4.32Å; V211-T221 HydrophobicContact CG1-CG2 4.03Å; V211-T221 HydrophobicContact CG2-CG2 4.07Å; V211-A223 HydrophobicContact CB-CB 4.06Å; V211-A223 HydrophobicContact CG1-CB 3.92Å; V211-L250 HydrophobicContact CB-CD2 4.15Å; V211-L250 HydrophobicContact CG1-CD2 4.3Å; V211-L250 HydrophobicContact CG2-CD2 3.75Å; V211-L296 HydrophobicContact CG2-CD1 3.93Å; V211-L296 HydrophobicContact CG2-CD2 3.91Å; V211-L296 HydrophobicContact CG2-CG 4.38Å
212	N	95	Very high	94	Very high	22 Å²	22	38.6 Å²	38.6	12%	0.118	20%	0.199	C	C	.	.			trans	-73.4	110.1	176.7	-176.4	3.7	0	0	0	111.4	K214 S215 L218 P248 V249 M251	N212-K214 PolarHBondContact O-N 3.09Å; N212-K214 PolarHBondContact OD1-N 2.92Å; N212-K214 VanDerWaalsContact OD1-N 3.09Å; N212-S215 WeakPolarHBondContact O-CB 3.5Å; N212-S215 PolarHBondContact O-N 3.17Å; N212-S215 VanDerWaalsContact O-N 3.08Å; N212-L218 VanDerWaalsContact O-CD1 3.27Å; N212-L218 WeakPolarHBondContact O-CD1 3.05Å; N212-P248 WeakPolarHBondContact CB-O 3.43Å; N212-P248 PolarHBondContact ND2-O 3.28Å; N212-V249 WeakPolarHBondContact CB-O 3.27Å; N212-V249 PolarHBondContact N-O 3.12Å; N212-M251 HydrophobicContact CB-CE 3.89Å
213	P	93.2	Very high	93.8	Very high	94 Å²	94	39.8 Å²	39.8	61%	0.61	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.9	-178.2	28.3	-36.1	0	0	0	114.1	V211 A223	V211-P213 VanDerWaalsContact O-CD 3.23Å; V211-P213 WeakPolarHBondContact O-CD 3.39Å; P213-A223 HydrophobicContact CB-CB 3.6Å
214	K	91.4	Very high	92.9	Very high	184 Å²	184	40.5 Å²	40.5	80%	0.8	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-8	178.6	-62.3	-178.2	-179.8	177.8	0	113.2	N212 P216	N212-K214 PolarHBondContact O-N 3.09Å; N212-K214 PolarHBondContact OD1-N 2.92Å; N212-K214 VanDerWaalsContact OD1-N 3.09Å; K214-P216 WeakPolarHBondContact O-CD 3.03Å
215	S	93.8	Very high	92.5	Very high	8 Å²	8	44.9 Å²	44.9	6%	0.056	25%	0.25	C	C	.	.			trans	-69.3	122.1	-177	176.7	0	0	0	0	110.6	N212 L217 L218 Q275	N212-S215 WeakPolarHBondContact O-CB 3.5Å; N212-S215 PolarHBondContact O-N 3.17Å; N212-S215 VanDerWaalsContact O-N 3.08Å; S215-L217 PolarHBondContact O-N 3.24Å; S215-L217 WeakPolarHBondContact OG-CB 3.21Å; S215-L217 PolarHBondContact OG-N 3.05Å; S215-L218 PolarHBondContact O-N 2.95Å; S215-Q275 PolarHBondContact OG-OE1 2.97Å
216	P	90.9	Very high	92.4	Very high	76 Å²	76	47.8 Å²	47.8	49%	0.494	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10	177	31.6	-37.6	0	0	0	113.3	K214 L218 Q275 F307	K214-P216 WeakPolarHBondContact O-CD 3.03Å; P216-L218 VanDerWaalsContact C-N 3.31Å; P216-Q275 VanDerWaalsContact CG-NE2 3.35Å; P216-F307 HydrophobicContact CB-CE2 4.27Å; P216-F307 HydrophobicContact CG-CE2 4.37Å
217	L	94.2	Very high	92.3	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-31.1	176.4	-179.9	151.3	0	0	0	112.2	S215 L219 V249 V286 V300 D303 A304 F307	S215-L217 PolarHBondContact O-N 3.24Å; S215-L217 WeakPolarHBondContact OG-CB 3.21Å; S215-L217 PolarHBondContact OG-N 3.05Å; L217-L219 PolarHBondContact O-N 3.43Å; L217-V249 HydrophobicContact CD1-CG2 4.33Å; L217-V249 HydrophobicContact CD2-CG1 4.12Å; L217-V286 HydrophobicContact CD1-CB 4.38Å; L217-V286 HydrophobicContact CD1-CG1 3.96Å; L217-V286 HydrophobicContact CD1-CG2 3.46Å; L217-V286 VanDerWaalsContact CD1-CG2 3.46Å; L217-V300 HydrophobicContact CD2-CG1 4Å; L217-D303 HydrophobicContact CD2-CB 3.47Å; L217-D303 VanDerWaalsContact CD2-CB 3.47Å; L217-D303 HydrophobicContact CG-CB 4.4Å; L217-A304 HydrophobicContact CD1-CB 4.06Å; L217-F307 HydrophobicContact CB-CD2 4.43Å; L217-F307 HydrophobicContact CB-CG 4.33Å; L217-F307 HydrophobicContact CG-CB 4.17Å; L217-F307 HydrophobicContact CG-CG 4.36Å
218	L	95.3	Very high	92.2	Very high	36 Å²	36	51 Å²	51	19%	0.188	29%	0.291	C	S	.	.			trans	-69.1	121.9	-170.3	-52	179.1	0	0	0	111.6	V211 N212 S215 P216 T221 A223 V249	V211-L218 HydrophobicContact CG1-CD1 3.54Å; V211-L218 HydrophobicContact CG1-CD2 3.75Å; V211-L218 HydrophobicContact CG1-CG 4.32Å; N212-L218 VanDerWaalsContact O-CD1 3.27Å; N212-L218 WeakPolarHBondContact O-CD1 3.05Å; S215-L218 PolarHBondContact O-N 2.95Å; P216-L218 VanDerWaalsContact C-N 3.31Å; L218-T221 HydrophobicContact CD2-CG2 4.26Å; L218-A223 HydrophobicContact CD1-CB 4.1Å; L218-V249 HydrophobicContact CD2-CG1 4.24Å
219	L	95.4	Very high	92.1	Very high	39 Å²	39	50.3 Å²	50.3	20%	0.204	29%	0.294	C	S	.	.	S	Bend	trans	-122.7	-64.1	175.3	173.8	66.3	0	0	0	109.8	L217 D303 A306 L317 N562	L217-L219 PolarHBondContact O-N 3.43Å; L219-D303 WeakPolarHBondContact CB-OD1 3.38Å; L219-D303 VanDerWaalsContact N-CG 3.34Å; L219-D303 PolarHBondContact N-OD1 3.35Å; L219-D303 PolarHBondContact N-OD2 3.35Å; L219-D303 VanDerWaalsContact N-OD2 3.11Å; L219-A306 HydrophobicContact CD2-CB 4.12Å; L219-L317 HydrophobicContact CG-CD2 4.42Å; L219-N562 PolarHBondContact O-ND2 2.75Å
220	I	96.9	Very high	92	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	33%	0.325	C	S	.	.	S	Bend	trans	-82.5	-39.7	176.7	-63.9	174.7	0	0	0	110	R222 L299 V302 D303 L315 L317 L526 T561 N562 L563	I220-R222 PolarHBondContact O-N 3.3Å; I220-L299 HydrophobicContact CG2-CD2 4.24Å; I220-V302 HydrophobicContact CD1-CG1 3.7Å; I220-D303 WeakPolarHBondContact CB-OD1 3.41Å; I220-D303 PolarHBondContact N-OD1 2.85Å; I220-D303 PolarHBondContact N-OD2 3.48Å; I220-L315 HydrophobicContact CD1-CB 4.21Å; I220-L317 HydrophobicContact CG1-CD2 3.94Å; I220-L526 HydrophobicContact CD1-CD1 4.46Å; I220-L526 HydrophobicContact CG2-CD1 3.64Å; I220-T561 HydrophobicContact CG2-CG2 4.43Å; I220-T561 CarbonylContact O-C 3.54Å; I220-T561 WeakPolarHBondContact O-CA 3.44Å; I220-T561 WeakPolarHBondContact O-CB 3.5Å; I220-N562 PolarHBondContact O-N 3.05Å; I220-L563 HydrophobicContact CG1-CD2 4.4Å; I220-L563 HydrophobicContact CG2-CD1 4.35Å; I220-L563 HydrophobicContact CG2-CD2 3.79Å; I220-L563 HydrophobicContact CG2-CG 3.95Å
221	T	97.1	Very high	92	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-68.3	132.1	-177.9	-50	0	0	0	0	110.1	V211 L218 L296 V300 D303 N562	V211-T221 HydrophobicContact CG1-CG2 4.03Å; V211-T221 HydrophobicContact CG2-CG2 4.07Å; L218-T221 HydrophobicContact CD2-CG2 4.26Å; T221-L296 HydrophobicContact CG2-CD1 4.26Å; T221-V300 HydrophobicContact CG2-CG2 4.5Å; T221-D303 WeakPolarHBondContact CB-OD2 3.2Å; T221-D303 PolarHBondContact N-OD2 2.98Å; T221-D303 PolarHBondContact OG1-OD2 3.47Å; T221-N562 PolarHBondContact O-ND2 3.4Å; T221-N562 VanDerWaalsContact O-ND2 3.15Å
222	R	95.4	Very high	91.8	Very high	85 Å²	85	56.2 Å²	56.2	32%	0.321	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-98.1	128.7	172.6	-174.1	179.2	-65.3	171	12.7	109.7	I220 K558 W560 T561 N562	I220-R222 PolarHBondContact O-N 3.3Å; R222-K558 PolarHBondContact NH1-O 3.43Å; R222-K558 PolarHBondContact NH2-O 3.41Å; R222-W560 PolarHBondContact N-O 3.44Å; R222-T561 PolarHBondContact NE-O 3.28Å; R222-T561 VanDerWaalsContact NE-O 3.15Å; R222-T561 PolarHBondContact NH2-O 2.83Å; R222-N562 WeakPolarHBondContact CB-OD1 3.42Å; R222-N562 PolarHBondContact NE-OD1 2.74Å
223	A	89.1	Confident	91.6	Very high	27 Å²	27	57.1 Å²	57.1	22%	0.223	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-85.6	135.1	164.7	0	0	0	0	0	109.8	V211 P213 L218	V211-A223 HydrophobicContact CB-CB 4.06Å; V211-A223 HydrophobicContact CG1-CB 3.92Å; P213-A223 HydrophobicContact CB-CB 3.6Å; L218-A223 HydrophobicContact CD1-CB 4.1Å
224	G	73.3	Confident	91.5	Very high	71 Å²	71	57.4 Å²	57.4	73%	0.732	35%	0.347	S	S	*	.			trans	169.7	-21.8	175.7	0	0	0	0	0	116.8
225	Q	81.6	Confident	91.6	Very high	110 Å²	110	50.6 Å²	50.6	51%	0.514	32%	0.319	S	S	.	.			trans	-131.9	145.1	176.5	-63.5	-174.1	8.6	0	0	110.7	T559 W560	Q225-T559 HydrophobicContact CG-CG2 4.43Å; Q225-T559 VanDerWaalsContact OE1-CG2 3.27Å; Q225-W560 HydrophobicContact CB-CH2 4.36Å
226	T	89.9	Confident	91.6	Very high	72 Å²	72	50.3 Å²	50.3	44%	0.442	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.4	167	-57.1	0	0	0	0	108	D208 C209 P228	D208-T226 HydrophobicContact CB-CG2 4.04Å; C209-T226 CarbonylContact O-C 3.59Å; T226-P228 WeakPolarHBondContact O-CD 3.31Å
227	L	92.1	Very high	91.9	Very high	39 Å²	39	46.7 Å²	46.7	20%	0.204	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	106	170	178.7	66.3	0	0	0	108	D208 C209 F294 W295 W560	D208-L227 CarbonylContact C-O 3.54Å; D208-L227 WeakPolarHBondContact CA-O 3.4Å; C209-L227 PolarHBondContact N-O 2.89Å; C209-L227 VanDerWaalsContact N-O 3.08Å; C209-L227 PolarHBondContact O-N 3.05Å; L227-F294 HydrophobicContact CD2-CE2 3.52Å; L227-F294 HydrophobicContact CD2-CZ 3.58Å; L227-W295 HydrophobicContact CD1-CZ2 4.04Å; L227-W295 HydrophobicContact CD2-CZ2 3.83Å; L227-W295 HydrophobicContact CG-CZ2 4.46Å; L227-W560 HydrophobicContact CB-CH2 3.73Å; L227-W560 HydrophobicContact CB-CZ2 4.19Å; L227-W560 HydrophobicContact CD1-CH2 4.42Å; L227-W560 HydrophobicContact CD1-CZ2 4.03Å
228	P	91.8	Very high	92	Very high	102 Å²	102	46.7 Å²	46.7	66%	0.662	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	151.7	-175.5	32.8	-35.5	0	0	0	111.6	D208 T226	D208-P228 WeakPolarHBondContact OD1-CA 3.21Å; T226-P228 WeakPolarHBondContact O-CD 3.31Å
229	G	91.8	Very high	92	Very high	26 Å²	26	45.2 Å²	45.2	27%	0.268	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	96	-179.1	171.4	0	0	0	0	0	114.4	K207 D208	K207-G229 CarbonylContact C-O 3.54Å; K207-G229 WeakPolarHBondContact CA-O 3.38Å; K207-G229 VanDerWaalsContact CB-O 3.26Å; K207-G229 WeakPolarHBondContact CB-O 3.27Å; D208-G229 PolarHBondContact N-O 3.01Å; D208-G229 PolarHBondContact OD1-N 3.49Å
230	P	93.1	Very high	91.9	Very high	103 Å²	103	47.1 Å²	47.1	67%	0.669	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	140.4	-173.2	29	-34.4	0	0	0	111.9
231	L	93.8	Very high	91.8	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.042	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-76.9	154.5	166.8	-70.3	172.5	0	0	0	110.3	L206 C209 G233 W236 A252 F294	L206-L231 HydrophobicContact CB-CB 4.27Å; L206-L231 HydrophobicContact CB-CD1 3.46Å; L206-L231 VanDerWaalsContact CB-CD1 3.46Å; L206-L231 HydrophobicContact CB-CG 4.27Å; L206-L231 HydrophobicContact CD1-CD1 4.23Å; L206-L231 HydrophobicContact CG-CD1 4.5Å; L206-L231 WeakPolarHBondContact O-CB 3.46Å; L206-L231 PolarHBondContact O-N 3.47Å; C209-L231 HydrophobicContact CB-CD1 4.16Å; C209-L231 HydrophobicContact CB-CD2 4.01Å; C209-L231 HydrophobicContact CB-CG 4.46Å; L231-G233 PolarHBondContact O-N 3.38Å; L231-W236 HydrophobicContact CB-CZ2 3.81Å; L231-W236 HydrophobicContact CD1-CH2 4.24Å; L231-W236 HydrophobicContact CD1-CZ2 4.23Å; L231-W236 HydrophobicContact CD1-CZ3 4.36Å; L231-W236 HydrophobicContact CD2-CZ2 4.46Å; L231-W236 HydrophobicContact CG-CZ2 4.4Å; L231-A252 HydrophobicContact CD1-CB 3.9Å; L231-F294 HydrophobicContact CD2-CD1 4.18Å; L231-F294 HydrophobicContact CD2-CD2 3.9Å; L231-F294 HydrophobicContact CD2-CE1 3.63Å; L231-F294 HydrophobicContact CD2-CE2 3.36Å; L231-F294 HydrophobicContact CD2-CG 4.3Å; L231-F294 HydrophobicContact CD2-CZ 3.22Å
232	P	92.7	Very high	91.4	Very high	73 Å²	73	56.4 Å²	56.4	47%	0.474	35%	0.346	S	S	.	.	S	Bend	trans	-64.6	121.7	-178.7	-21.6	32.4	0	0	0	112.5	W236 F294	P232-W236 PolarHBondContact O-NE1 3.12Å; P232-F294 HydrophobicContact CG-CD2 4.42Å
233	G	91.1	Very high	91.4	Very high	42 Å²	42	55.2 Å²	55.2	43%	0.433	34%	0.344	S	S	.	.			trans	75.8	174.2	176	0	0	0	0	0	114.9	L231 W236	L231-G233 PolarHBondContact O-N 3.38Å; G233-W236 PolarHBondContact O-NE1 3.16Å
234	D	90.4	Very high	91.7	Very high	99 Å²	99	58.2 Å²	58.2	53%	0.529	36%	0.363	S	S	.	.	S	Bend	trans	-117	13.8	-178.1	-57.8	-48.7	0	0	0	112.6	N203 L204 G205 W236	N203-D234 CarbonylContact C-O 3.6Å; N203-D234 VanDerWaalsContact CA-O 3.28Å; N203-D234 WeakPolarHBondContact CA-O 3.47Å; L204-D234 CarbonylContact C-O 3.56Å; L204-D234 PolarHBondContact N-O 2.91Å; L204-D234 VanDerWaalsContact N-O 3.1Å; L204-D234 CarbonylContact O-C 3.45Å; G205-D234 WeakPolarHBondContact CA-OD1 3.5Å; D234-W236 VanDerWaalsContact C-N 3.32Å; D234-W236 PolarHBondContact O-N 2.98Å
235	D	93.2	Very high	92.8	Very high	42 Å²	42	54.9 Å²	54.9	23%	0.225	33%	0.328	C	S	.	.			trans	-96.7	27.8	-177	55.1	8.5	0	0	0	112.6	K182 A183 N290	K182-D235 WeakPolarHBondContact CE-OD2 3.45Å; K182-D235 IonicContact NZ-OD2 3.05Å; K182-D235 PolarHBondContact NZ-OD2 3.06Å; A183-D235 WeakPolarHBondContact CB-O 3.27Å; A183-D235 PolarHBondContact N-O 3Å; D235-N290 PolarHBondContact OD1-ND2 3.34Å
236	W	95.2	Very high	93.5	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	149	-179.6	-66.2	74.7	0	0	0	112.5	S202 N203 L204 L206 L231 P232 G233 D234 N290 F294 H297	S202-W236 CarbonylContact C-O 3.51Å; N203-W236 PolarHBondContact N-O 3.28Å; L204-W236 PolarHBondContact N-O 2.67Å; L204-W236 VanDerWaalsContact N-O 3.09Å; L204-W236 VanDerWaalsContact O-CB 3.25Å; L204-W236 WeakPolarHBondContact O-CB 3.25Å; L204-W236 PolarHBondContact O-N 3.37Å; L206-W236 HydrophobicContact CB-CG 4.44Å; L206-W236 HydrophobicContact CD1-CB 3.56Å; L206-W236 HydrophobicContact CD1-CD2 3.84Å; L206-W236 HydrophobicContact CD1-CE3 3.77Å; L206-W236 HydrophobicContact CD1-CG 3.75Å; L206-W236 HydrophobicContact CG-CB 3.82Å; L206-W236 HydrophobicContact CG-CD2 4.43Å; L206-W236 HydrophobicContact CG-CG 3.97Å; L231-W236 HydrophobicContact CB-CZ2 3.81Å; L231-W236 HydrophobicContact CD1-CH2 4.24Å; L231-W236 HydrophobicContact CD1-CZ2 4.23Å; L231-W236 HydrophobicContact CD1-CZ3 4.36Å; L231-W236 HydrophobicContact CD2-CZ2 4.46Å; L231-W236 HydrophobicContact CG-CZ2 4.4Å; P232-W236 PolarHBondContact O-NE1 3.12Å; G233-W236 PolarHBondContact O-NE1 3.16Å; D234-W236 VanDerWaalsContact C-N 3.32Å; D234-W236 PolarHBondContact O-N 2.98Å; W236-N290 HydrophobicContact CD2-CB 3.89Å; W236-N290 HydrophobicContact CE3-CB 3.64Å; W236-N290 HydrophobicContact CH2-CB 4.01Å; W236-N290 HydrophobicContact CZ2-CB 4.23Å; W236-N290 HydrophobicContact CZ3-CB 3.74Å; W236-N290 PolarHBondContact NE1-ND2 2.88Å; W236-F294 HydrophobicContact CH2-CB 3.84Å; W236-F294 AromaticContact CH2-CD1 3.6Å; W236-F294 HydrophobicContact CH2-CD1 3.6Å; W236-F294 HydrophobicContact CH2-CE1 4.37Å; W236-F294 AromaticContact CH2-CG 3.88Å; W236-F294 HydrophobicContact CH2-CG 3.88Å; W236-F294 HydrophobicContact CZ2-CB 4.14Å; W236-F294 HydrophobicContact CZ2-CD1 4.43Å; W236-F294 HydrophobicContact CZ2-CG 4.32Å; W236-F294 HydrophobicContact CZ3-CD1 4.46Å; W236-H297 AromaticContact CH2-CE1 3.64Å; W236-H297 AromaticContact CH2-NE2 3.78Å; W236-H297 AromaticContact CZ3-CE1 3.31Å; W236-H297 WeakPolarHBondContact CZ3-CE1 3.27Å; W236-H297 AromaticContact CZ3-NE2 3.39Å; W236-H297 WeakPolarHBondContact CZ3-NE2 3.27Å
237	T	95.9	Very high	93.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.2	168.7	-63.2	0	0	0	0	110.3	F181 L200 H201 S202 G289	F181-T237 HydrophobicContact CD1-CG2 3.69Å; F181-T237 WeakPolarHBondContact CD1-OG1 3.43Å; F181-T237 HydrophobicContact CE1-CG2 4.02Å; F181-T237 WeakPolarHBondContact CE1-OG1 3.32Å; L200-T237 HydrophobicContact CB-CG2 3.86Å; L200-T237 HydrophobicContact CD2-CG2 3.87Å; L200-T237 HydrophobicContact CG-CG2 4.42Å; H201-T237 CarbonylContact O-C 3.34Å; H201-T237 WeakPolarHBondContact O-CA 3.25Å; S202-T237 PolarHBondContact OG-OG1 3.41Å; T237-G289 PolarHBondContact N-O 3.32Å; T237-G289 VanDerWaalsContact O-CA 3.3Å; T237-G289 WeakPolarHBondContact O-CA 3.45Å
238	V	96.1	Very high	94	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	153.8	170.4	-58.9	0	0	0	0	110.2	H201 L204 L206 L270 P271	H201-V238 HydrophobicContact CB-CG2 3.82Å; H201-V238 PolarHBondContact N-O 3.06Å; H201-V238 PolarHBondContact O-N 3.41Å; L204-V238 HydrophobicContact CD1-CG1 4.19Å; L204-V238 HydrophobicContact CD1-CG2 3.66Å; L206-V238 HydrophobicContact CD1-CG1 3.89Å; L206-V238 HydrophobicContact CD2-CG1 4.11Å; V238-L270 HydrophobicContact CB-CB 4.05Å; V238-L270 HydrophobicContact CG1-CB 3.87Å; V238-L270 HydrophobicContact CG2-CB 4.22Å; V238-L270 HydrophobicContact CG2-CD1 4.26Å; V238-P271 CarbonylContact C-O 3.56Å; V238-P271 WeakPolarHBondContact CA-O 3.32Å; V238-P271 VanDerWaalsContact CB-O 3.32Å; V238-P271 WeakPolarHBondContact CB-O 3.42Å
239	F	96	Very high	94.3	Very high	6 Å²	6	46 Å²	46	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.1	-174.1	-58.4	-80.6	0	0	0	110.9	L198 F199 L200 P271 S272 V274 L287	L198-F239 HydrophobicContact CD1-CB 4.09Å; L198-F239 HydrophobicContact CD1-CD1 4.46Å; L198-F239 HydrophobicContact CD2-CD1 3.86Å; L198-F239 HydrophobicContact CD2-CE1 4.42Å; L198-F239 HydrophobicContact CG-CD1 4.28Å; F199-F239 WeakPolarHBondContact O-CA 3.37Å; L200-F239 HydrophobicContact CD2-CD1 3.43Å; L200-F239 VanDerWaalsContact CD2-CD1 3.43Å; L200-F239 HydrophobicContact CD2-CE1 3.32Å; L200-F239 HydrophobicContact CD2-CZ 4.46Å; F239-P271 PolarHBondContact N-O 3.14Å; F239-P271 WeakPolarHBondContact O-CD 3.3Å; F239-P271 WeakPolarHBondContact O-CG 3.36Å; F239-S272 WeakPolarHBondContact CE2-O 3.33Å; F239-V274 HydrophobicContact CB-CB 4.48Å; F239-V274 HydrophobicContact CB-CG1 3.66Å; F239-V274 HydrophobicContact CB-CG2 3.96Å; F239-V274 HydrophobicContact CD1-CG2 4.15Å; F239-V274 HydrophobicContact CD2-CB 4.47Å; F239-V274 HydrophobicContact CD2-CG1 4.04Å; F239-V274 HydrophobicContact CD2-CG2 3.83Å; F239-V274 HydrophobicContact CE2-CG2 4.35Å; F239-V274 HydrophobicContact CG-CG1 4.11Å; F239-V274 HydrophobicContact CG-CG2 3.71Å; F239-L287 HydrophobicContact CE1-CB 3.99Å; F239-L287 HydrophobicContact CE1-CD1 4.47Å; F239-L287 HydrophobicContact CE2-CB 4.36Å; F239-L287 WeakPolarHBondContact CE2-O 3.42Å; F239-L287 HydrophobicContact CZ-CB 3.8Å
240	Q	94.5	Very high	94.5	Very high	78 Å²	78	44.8 Å²	44.8	36%	0.364	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.1	174	-174.6	176.9	6.2	0	0	110.3	F199 H201	F199-Q240 HydrophobicContact CB-CB 4.41Å; F199-Q240 PolarHBondContact N-O 2.58Å; F199-Q240 PolarHBondContact O-N 3.21Å; H201-Q240 PolarHBondContact NE2-OE1 2.89Å
241	S	93	Very high	94.6	Very high	34 Å²	34	41.2 Å²	41.2	24%	0.238	24%	0.237	C	C	.	.			trans	-147.4	147.3	175	-177	0	0	0	0	110.4	P197 H243 Y246	P197-S241 VanDerWaalsContact O-CB 3.3Å; P197-S241 WeakPolarHBondContact O-CB 3.33Å; P197-S241 PolarHBondContact O-OG 3.32Å; S241-H243 WeakPolarHBondContact OG-CB 3.45Å; S241-H243 PolarHBondContact OG-N 2.81Å; S241-Y246 VanDerWaalsContact OG-CD2 3.26Å; S241-Y246 WeakPolarHBondContact OG-CD2 3.45Å
242	N	90.4	Very high	94.7	Very high	164 Å²	164	40.9 Å²	40.9	88%	0.877	24%	0.235	S	C	*	.	S	Bend	trans	-96.1	-0.6	168.6	-65.9	-11	0	0	0	112.1
243	H	95	Very high	94.7	Very high	60 Å²	60	41.6 Å²	41.6	28%	0.278	23%	0.23	S	C	.	.	S	Bend	trans	-90.7	133.9	178.9	-165.3	-57.8	0	0	0	110.4	P197 S241 T245 Y246	P197-H243 HydrophobicContact CB-CB 4.13Å; P197-H243 HydrophobicContact CG-CB 3.89Å; S241-H243 WeakPolarHBondContact OG-CB 3.45Å; S241-H243 PolarHBondContact OG-N 2.81Å; H243-T245 HydrophobicContact CB-CG2 4.38Å; H243-T245 WeakPolarHBondContact ND1-CB 3.34Å; H243-T245 WeakPolarHBondContact ND1-CG2 3.45Å; H243-T245 PolarHBondContact ND1-N 2.8Å; H243-T245 PolarHBondContact O-N 2.97Å; H243-Y246 HydrophobicContact CB-CD2 4.44Å; H243-Y246 PolarHBondContact O-N 3.49Å
244	S	94.7	Very high	94.6	Very high	90 Å²	90	40.4 Å²	40.4	63%	0.629	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-0.1	-179.5	56.9	0	0	0	0	115.6	Y246	S244-Y246 VanDerWaalsContact C-N 3.34Å
245	T	95.8	Very high	94.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-25.8	180	-161.5	0	0	0	0	111	H243 D276 L277 G278 L279 H280	H243-T245 HydrophobicContact CB-CG2 4.38Å; H243-T245 WeakPolarHBondContact ND1-CB 3.34Å; H243-T245 WeakPolarHBondContact ND1-CG2 3.45Å; H243-T245 PolarHBondContact ND1-N 2.8Å; H243-T245 PolarHBondContact O-N 2.97Å; T245-D276 VanDerWaalsContact CG2-OD1 3.3Å; T245-D276 WeakPolarHBondContact CG2-OD1 3.4Å; T245-D276 WeakPolarHBondContact O-CA 3.38Å; T245-D276 PolarHBondContact OG1-OD1 2.68Å; T245-L277 WeakPolarHBondContact O-CG 3.49Å; T245-L277 PolarHBondContact O-N 3.24Å; T245-L277 PolarHBondContact OG1-N 3.13Å; T245-G278 PolarHBondContact OG1-N 3.26Å; T245-L279 PolarHBondContact OG1-N 3.34Å; T245-H280 HydrophobicContact CG2-CB 4.49Å
246	Y	97	Very high	93.3	Very high	25 Å²	25	39.7 Å²	39.7	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.7	-177.6	-61.2	-76.9	0	0	0	110.8	F196 P197 L198 S241 H243 S244 V274 Q275 D276 L287	F196-Y246 WeakPolarHBondContact CD1-OH 3.32Å; P197-Y246 HydrophobicContact CG-CE2 4.16Å; L198-Y246 HydrophobicContact CB-CE1 4.42Å; L198-Y246 HydrophobicContact CB-CE2 4.01Å; L198-Y246 HydrophobicContact CD1-CD1 3.95Å; L198-Y246 HydrophobicContact CD1-CD2 4.02Å; L198-Y246 HydrophobicContact CD1-CE1 4.05Å; L198-Y246 HydrophobicContact CD1-CE2 4.11Å; L198-Y246 HydrophobicContact CD1-CG 3.93Å; L198-Y246 HydrophobicContact CD2-CD1 4.35Å; L198-Y246 HydrophobicContact CD2-CE1 3.81Å; L198-Y246 HydrophobicContact CG-CE1 4.33Å; S241-Y246 VanDerWaalsContact OG-CD2 3.26Å; S241-Y246 WeakPolarHBondContact OG-CD2 3.45Å; H243-Y246 HydrophobicContact CB-CD2 4.44Å; H243-Y246 PolarHBondContact O-N 3.49Å; S244-Y246 VanDerWaalsContact C-N 3.34Å; Y246-V274 HydrophobicContact CD1-CG2 4.28Å; Y246-Q275 CarbonylContact C-O 3.49Å; Y246-Q275 VanDerWaalsContact CA-O 3.29Å; Y246-Q275 WeakPolarHBondContact CA-O 3.3Å; Y246-D276 HydrophobicContact CD1-CB 3.91Å; Y246-D276 HydrophobicContact CE1-CB 3.69Å; Y246-L287 HydrophobicContact CE1-CD1 4.49Å
247	E	96.4	Very high	91.6	Very high	73 Å²	73	43.6 Å²	43.6	34%	0.341	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.2	174.7	-62.6	-176	154.9	0	0	110.3	V274 Q275 L277	E247-V274 WeakPolarHBondContact O-CA 3.4Å; E247-Q275 HydrophobicContact CB-CG 3.81Å; E247-Q275 PolarHBondContact N-O 3.14Å; E247-Q275 WeakPolarHBondContact O-CG 3.46Å; E247-Q275 PolarHBondContact O-N 2.9Å; E247-Q275 PolarHBondContact OE2-NE2 2.95Å; E247-L277 HydrophobicContact CG-CD1 4.35Å
248	P	96.3	Very high	89.7	Confident	39 Å²	39	51.7 Å²	51.7	25%	0.253	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	138.7	179.8	27.1	-32.5	0	0	0	111.5	N212 M251 P271	N212-P248 WeakPolarHBondContact CB-O 3.43Å; N212-P248 PolarHBondContact ND2-O 3.28Å; P248-M251 HydrophobicContact CB-CG 3.81Å; P248-M251 HydrophobicContact CB-SD 4.02Å; P248-M251 HydrophobicContact CG-SD 4.14Å; P248-P271 HydrophobicContact CB-CB 3.99Å; P248-P271 HydrophobicContact CB-CG 4.05Å
249	V	97.3	Very high	87.8	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-49.8	173.2	-177.1	0	0	0	0	110	N212 L217 L218 V273 Q275 V300	N212-V249 WeakPolarHBondContact CB-O 3.27Å; N212-V249 PolarHBondContact N-O 3.12Å; L217-V249 HydrophobicContact CD1-CG2 4.33Å; L217-V249 HydrophobicContact CD2-CG1 4.12Å; L218-V249 HydrophobicContact CD2-CG1 4.24Å; V249-V273 HydrophobicContact CB-CB 4.22Å; V249-V273 HydrophobicContact CB-CG1 3.97Å; V249-V273 HydrophobicContact CG1-CG1 4.45Å; V249-V273 HydrophobicContact CG2-CG1 4.41Å; V249-V273 PolarHBondContact N-O 2.98Å; V249-Q275 HydrophobicContact CG2-CB 3.95Å; V249-Q275 HydrophobicContact CG2-CG 4.13Å; V249-V300 HydrophobicContact CG1-CG1 3.68Å; V249-V300 HydrophobicContact CG1-CG2 4.4Å
250	L	97.1	Very high	85.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.7	170.2	-62.8	-173.8	0	0	0	109.7	V211 P271 S272 V273 L296 V300	V211-L250 HydrophobicContact CB-CD2 4.15Å; V211-L250 HydrophobicContact CG1-CD2 4.3Å; V211-L250 HydrophobicContact CG2-CD2 3.75Å; L250-P271 CarbonylContact O-C 3.57Å; L250-P271 WeakPolarHBondContact O-CA 3.39Å; L250-S272 WeakPolarHBondContact CB-OG 3.48Å; L250-S272 PolarHBondContact O-N 2.87Å; L250-V273 HydrophobicContact CB-CB 3.93Å; L250-V273 HydrophobicContact CB-CG2 3.96Å; L250-V273 HydrophobicContact CD1-CB 4.43Å; L250-V273 HydrophobicContact CD1-CG2 3.73Å; L250-V273 HydrophobicContact CG-CB 4.09Å; L250-V273 HydrophobicContact CG-CG2 3.95Å; L250-V273 PolarHBondContact N-O 3.25Å; L250-V273 PolarHBondContact O-N 2.83Å; L250-L296 HydrophobicContact CD1-CD2 4.06Å; L250-L296 HydrophobicContact CD1-CG 3.98Å; L250-L296 HydrophobicContact CD2-CD2 3.74Å; L250-L296 HydrophobicContact CD2-CG 4.03Å; L250-V300 HydrophobicContact CD1-CG2 4.01Å; L250-V300 HydrophobicContact CD2-CG2 3.85Å; L250-V300 HydrophobicContact CG-CG2 3.97Å
251	M	95.3	Very high	83.7	Confident	29 Å²	29	55.7 Å²	55.7	14%	0.143	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.4	175.4	-62.2	174.6	-82.4	0	0	110.4	C209 M210 N212 P248 M269 L270	C209-M251 CarbonylContact C-O 3.6Å; C209-M251 WeakPolarHBondContact CA-O 3.41Å; M210-M251 HydrophobicContact CE-CE 3.7Å; M210-M251 PolarHBondContact N-O 2.95Å; M210-M251 PolarHBondContact O-N 2.88Å; N212-M251 HydrophobicContact CB-CE 3.89Å; P248-M251 HydrophobicContact CB-CG 3.81Å; P248-M251 HydrophobicContact CB-SD 4.02Å; P248-M251 HydrophobicContact CG-SD 4.14Å; M251-M269 HydrophobicContact CB-CB 4.13Å; M251-M269 HydrophobicContact CB-CE 3.81Å; M251-M269 WeakPolarHBondContact O-CE 3.29Å; M251-M269 HydrophobicContact SD-CB 4.42Å; M251-L270 CarbonylContact C-O 3.58Å; M251-L270 WeakPolarHBondContact CA-O 3.2Å
252	A	94.9	Very high	81.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164.3	178.5	0	0	0	0	0	111.6	L206 C209 L231 L270	L206-A252 HydrophobicContact CB-CB 4.16Å; L206-A252 HydrophobicContact CD1-CB 4.18Å; C209-A252 HydrophobicContact CB-CB 4.3Å; L231-A252 HydrophobicContact CD1-CB 3.9Å; A252-L270 PolarHBondContact N-O 3.42Å; A252-L270 PolarHBondContact O-N 2.82Å
253	K	92.5	Very high	80.3	Confident	88 Å²	88	51.7 Å²	51.7	38%	0.383	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	154.6	173.8	-56	-166.2	175	169.8	0	110.7	L206 K207 D208 A268 M269	L206-K253 CarbonylContact C-O 3.53Å; L206-K253 VanDerWaalsContact CA-O 3.23Å; L206-K253 WeakPolarHBondContact CA-O 3.32Å; K207-K253 HydrophobicContact CG-CB 4.06Å; K207-K253 PolarHBondContact N-O 2.83Å; K207-K253 PolarHBondContact O-N 3.44Å; D208-K253 HydrophobicContact CB-CD 4.21Å; D208-K253 HydrophobicContact CB-CG 4.18Å; K253-A268 WeakPolarHBondContact CG-O 3.41Å; K253-M269 HydrophobicContact CD-SD 4.23Å; K253-M269 HydrophobicContact CG-SD 3.52Å; K253-M269 VanDerWaalsContact CG-SD 3.52Å
254	T	89.2	Confident	78.3	Confident	17 Å²	17	51 Å²	51	10%	0.104	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	149.1	167.2	61.1	0	0	0	0	110.6	L206 K207 S256 V260 L270	L206-T254 HydrophobicContact CD2-CG2 4.48Å; K207-T254 VanDerWaalsContact CE-O 3.28Å; K207-T254 WeakPolarHBondContact CE-O 3.43Å; T254-S256 WeakPolarHBondContact CB-O 3.46Å; T254-S256 PolarHBondContact OG1-O 3.34Å; T254-V260 HydrophobicContact CG2-CG2 4.24Å; T254-V260 WeakPolarHBondContact OG1-CG2 3.47Å; T254-L270 HydrophobicContact CG2-CD1 3.45Å; T254-L270 VanDerWaalsContact CG2-CD1 3.45Å
255	Q	84.3	Confident	75.9	Confident	76 Å²	76	56.3 Å²	56.3	36%	0.355	33%	0.331	S	S	.	.	S	Bend	trans	-72.6	-41.2	173.3	-72.2	-179.2	23.8	0	0	111.9	G205 L206 K207	G205-Q255 PolarHBondContact O-N 2.92Å; L206-Q255 PolarHBondContact O-NE2 2.92Å; K207-Q255 HydrophobicContact CB-CG 4.09Å; K207-Q255 HydrophobicContact CD-CG 4.31Å; K207-Q255 HydrophobicContact CG-CG 4.29Å; K207-Q255 PolarHBondContact NZ-O 2.89Å
256	S	72.9	Confident	73.5	Confident	50 Å²	50	64 Å²	64	35%	0.35	37%	0.372	S	S	.	.			trans	-102.1	148.2	178.1	179	0	0	0	0	112.3	T254 E258 S259	T254-S256 WeakPolarHBondContact CB-O 3.46Å; T254-S256 PolarHBondContact OG1-O 3.34Å; S256-E258 PolarHBondContact OG-N 3.3Å; S256-E258 VanDerWaalsContact OG-N 3.17Å; S256-S259 PolarHBondContact O-OG 2.68Å; S256-S259 VanDerWaalsContact O-OG 3.06Å
257	A	60	Low	71.4	Confident	85 Å²	85	64.9 Å²	64.9	70%	0.702	38%	0.384	S	S	*	.	S	Bend	trans	-78.4	-22.5	172.7	0	0	0	0	0	112.6	S259 V260	A257-S259 VanDerWaalsContact C-N 3.34Å; A257-S259 PolarHBondContact O-N 3.44Å; A257-V260 WeakPolarHBondContact O-CB 3.38Å; A257-V260 PolarHBondContact O-N 2.95Å
258	E	55.7	Low	70.2	Confident	169 Å²	169	65.4 Å²	65.4	79%	0.79	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-68.7	-33.2	-179.3	-66.4	171.1	169.1	0	0	112	S256 V260 A261	S256-E258 PolarHBondContact OG-N 3.3Å; S256-E258 VanDerWaalsContact OG-N 3.17Å; E258-V260 PolarHBondContact O-N 3.3Å; E258-A261 PolarHBondContact O-N 3.12Å
259	S	55.2	Low	69.7	Low	31 Å²	31	65.9 Å²	65.9	22%	0.217	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-73.8	-8.6	174.7	38.8	0	0	0	0	114.1	S256 A257 S262	S256-S259 PolarHBondContact O-OG 2.68Å; S256-S259 VanDerWaalsContact O-OG 3.06Å; A257-S259 VanDerWaalsContact C-N 3.34Å; A257-S259 PolarHBondContact O-N 3.44Å; S259-S262 PolarHBondContact O-OG 3.14Å
260	V	53.3	Low	69.5	Low	50 Å²	50	66.6 Å²	66.6	30%	0.303	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-84.7	-26.2	175.4	-174.9	0	0	0	0	111.3	T254 A257 E258 S262 L263	T254-V260 HydrophobicContact CG2-CG2 4.24Å; T254-V260 WeakPolarHBondContact OG1-CG2 3.47Å; A257-V260 WeakPolarHBondContact O-CB 3.38Å; A257-V260 PolarHBondContact O-N 2.95Å; E258-V260 PolarHBondContact O-N 3.3Å; V260-S262 PolarHBondContact O-N 3.49Å; V260-L263 PolarHBondContact O-N 3.13Å
261	A	50.9	Low	69.5	Low	89 Å²	89	68 Å²	68	74%	0.736	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.9	-175.9	0	0	0	0	0	113.4	E258	E258-A261 PolarHBondContact O-N 3.12Å
262	S	54.1	Low	69.5	Low	96 Å²	96	66.6 Å²	66.6	67%	0.671	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.5	175.6	56.7	0	0	0	0	114.5	S259 V260	S259-S262 PolarHBondContact O-OG 3.14Å; V260-S262 PolarHBondContact O-N 3.49Å
263	L	58.9	Low	69.7	Low	19 Å²	19	66.6 Å²	66.6	10%	0.099	41%	0.406	C	S	.	.	S	Bend	trans	-104.1	1.2	-171.4	-72.9	164.4	0	0	0	114.3	H201 V260 L270	H201-L263 HydrophobicContact CB-CD2 4.22Å; H201-L263 VanDerWaalsContact CD2-CD2 3.4Å; H201-L263 WeakPolarHBondContact CD2-CD2 3.49Å; H201-L263 VanDerWaalsContact CE1-CD2 3.45Å; H201-L263 WeakPolarHBondContact CE1-CD2 3.41Å; H201-L263 VanDerWaalsContact NE2-CD2 3.33Å; H201-L263 WeakPolarHBondContact NE2-CD2 3.41Å; V260-L263 PolarHBondContact O-N 3.13Å; L263-L270 HydrophobicContact CD1-CD1 3.79Å; L263-L270 HydrophobicContact CD1-CD2 4.14Å
264	G	53.1	Low	69.9	Low	44 Å²	44	62.6 Å²	62.6	45%	0.454	39%	0.389	S	S	.	.			trans	77.1	155.3	-177.7	0	0	0	0	0	113.4	N266	G264-N266 PolarHBondContact O-N 3.09Å
265	Q	44.3	Very low	70.3	Confident	202 Å²	202	61.9 Å²	61.9	94%	0.944	39%	0.385	S	S	*	.	S	Bend	trans	-66.1	15.9	-166.9	-84.9	-174.1	-13.5	0	0	117.3
266	N	45.8	Very low	71	Confident	163 Å²	163	58.4 Å²	58.4	87%	0.872	37%	0.368	S	S	*	.			trans	-143.1	83.2	-179.9	-91.4	-24.2	0	0	0	112.5	G264	G264-N266 PolarHBondContact O-N 3.09Å
267	A	51.3	Low	72.1	Confident	42 Å²	42	58.3 Å²	58.3	35%	0.347	36%	0.364	S	S	.	.			trans	-163.9	96.5	151.7	0	0	0	0	0	111.4	M269 L270	A267-M269 PolarHBondContact O-N 3.03Å; A267-L270 HydrophobicContact CB-CD2 3.57Å; A267-L270 HydrophobicContact CB-CG 4.39Å
268	A	72.1	Confident	73.8	Confident	84 Å²	84	54.7 Å²	54.7	69%	0.694	34%	0.335	S	S	*	.	S	Bend	trans	-69.8	-11	167.5	0	0	0	0	0	112.7	K253	K253-A268 WeakPolarHBondContact CG-O 3.41Å
269	M	86.4	Confident	75.7	Confident	49 Å²	49	51.7 Å²	51.7	24%	0.241	32%	0.324	C	S	.	.	S	Bend	trans	-146.9	124.9	-178.4	-67.4	-62.1	-70.2	0	0	109.6	M210 M251 K253 A267	M210-M269 HydrophobicContact CB-CE 3.77Å; M210-M269 HydrophobicContact CE-CE 4.14Å; M251-M269 HydrophobicContact CB-CB 4.13Å; M251-M269 HydrophobicContact CB-CE 3.81Å; M251-M269 WeakPolarHBondContact O-CE 3.29Å; M251-M269 HydrophobicContact SD-CB 4.42Å; K253-M269 HydrophobicContact CD-SD 4.23Å; K253-M269 HydrophobicContact CG-SD 3.52Å; K253-M269 VanDerWaalsContact CG-SD 3.52Å; A267-M269 PolarHBondContact O-N 3.03Å
270	L	92.9	Very high	77.6	Confident	15 Å²	15	54.3 Å²	54.3	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.4	-176.1	-63.7	168.9	0	0	0	110.8	V238 M251 A252 T254 L263 A267 S272	V238-L270 HydrophobicContact CB-CB 4.05Å; V238-L270 HydrophobicContact CG1-CB 3.87Å; V238-L270 HydrophobicContact CG2-CB 4.22Å; V238-L270 HydrophobicContact CG2-CD1 4.26Å; M251-L270 CarbonylContact C-O 3.58Å; M251-L270 WeakPolarHBondContact CA-O 3.2Å; A252-L270 PolarHBondContact N-O 3.42Å; A252-L270 PolarHBondContact O-N 2.82Å; T254-L270 HydrophobicContact CG2-CD1 3.45Å; T254-L270 VanDerWaalsContact CG2-CD1 3.45Å; L263-L270 HydrophobicContact CD1-CD1 3.79Å; L263-L270 HydrophobicContact CD1-CD2 4.14Å; A267-L270 HydrophobicContact CB-CD2 3.57Å; A267-L270 HydrophobicContact CB-CG 4.39Å; L270-S272 PolarHBondContact O-N 3.15Å
271	P	95.8	Very high	79.6	Confident	29 Å²	29	54.3 Å²	54.3	19%	0.188	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	115.6	179.4	-19.4	32.6	0	0	0	112.6	V238 F239 P248 L250 V274	V238-P271 CarbonylContact C-O 3.56Å; V238-P271 WeakPolarHBondContact CA-O 3.32Å; V238-P271 VanDerWaalsContact CB-O 3.32Å; V238-P271 WeakPolarHBondContact CB-O 3.42Å; F239-P271 PolarHBondContact N-O 3.14Å; F239-P271 WeakPolarHBondContact O-CD 3.3Å; F239-P271 WeakPolarHBondContact O-CG 3.36Å; P248-P271 HydrophobicContact CB-CB 3.99Å; P248-P271 HydrophobicContact CB-CG 4.05Å; L250-P271 CarbonylContact O-C 3.57Å; L250-P271 WeakPolarHBondContact O-CA 3.39Å; P271-V274 HydrophobicContact CB-CG1 3.63Å
272	S	96.3	Very high	81.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-16.1	172.8	62.3	0	0	0	0	113.1	F239 L250 L270 G289	F239-S272 WeakPolarHBondContact CE2-O 3.33Å; L250-S272 WeakPolarHBondContact CB-OG 3.48Å; L250-S272 PolarHBondContact O-N 2.87Å; L270-S272 PolarHBondContact O-N 3.15Å; S272-G289 PolarHBondContact O-N 3.4Å
273	V	98.3	Very high	83.9	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.7	169.1	-178.2	0	0	0	0	108.3	V249 L250 V286 L287 F288 V300	V249-V273 HydrophobicContact CB-CB 4.22Å; V249-V273 HydrophobicContact CB-CG1 3.97Å; V249-V273 HydrophobicContact CG1-CG1 4.45Å; V249-V273 HydrophobicContact CG2-CG1 4.41Å; V249-V273 PolarHBondContact N-O 2.98Å; L250-V273 HydrophobicContact CB-CB 3.93Å; L250-V273 HydrophobicContact CB-CG2 3.96Å; L250-V273 HydrophobicContact CD1-CB 4.43Å; L250-V273 HydrophobicContact CD1-CG2 3.73Å; L250-V273 HydrophobicContact CG-CB 4.09Å; L250-V273 HydrophobicContact CG-CG2 3.95Å; L250-V273 PolarHBondContact N-O 3.25Å; L250-V273 PolarHBondContact O-N 2.83Å; V273-V286 HydrophobicContact CG1-CG1 4.06Å; V273-L287 VanDerWaalsContact CA-O 3.3Å; V273-L287 WeakPolarHBondContact CA-O 3.46Å; V273-L287 WeakPolarHBondContact CG1-O 3.49Å; V273-F288 HydrophobicContact CG1-CD1 4.15Å; V273-F288 HydrophobicContact CG1-CE1 4.12Å; V273-F288 HydrophobicContact CG1-CG 4.4Å; V273-F288 HydrophobicContact CG1-CZ 4.33Å; V273-F288 HydrophobicContact CG2-CD1 3.62Å; V273-F288 HydrophobicContact CG2-CE1 4.04Å; V273-F288 HydrophobicContact CG2-CG 4.28Å; V273-V300 HydrophobicContact CG1-CG1 4.1Å
274	V	98.1	Very high	85.7	Confident	5 Å²	5	51 Å²	51	3%	0.03	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.7	177.5	-65.7	0	0	0	0	111.2	F239 Y246 E247 P271 V286 L287	F239-V274 HydrophobicContact CB-CB 4.48Å; F239-V274 HydrophobicContact CB-CG1 3.66Å; F239-V274 HydrophobicContact CB-CG2 3.96Å; F239-V274 HydrophobicContact CD1-CG2 4.15Å; F239-V274 HydrophobicContact CD2-CB 4.47Å; F239-V274 HydrophobicContact CD2-CG1 4.04Å; F239-V274 HydrophobicContact CD2-CG2 3.83Å; F239-V274 HydrophobicContact CE2-CG2 4.35Å; F239-V274 HydrophobicContact CG-CG1 4.11Å; F239-V274 HydrophobicContact CG-CG2 3.71Å; Y246-V274 HydrophobicContact CD1-CG2 4.28Å; E247-V274 WeakPolarHBondContact O-CA 3.4Å; P271-V274 HydrophobicContact CB-CG1 3.63Å; V274-V286 WeakPolarHBondContact O-CA 3.46Å; V274-L287 HydrophobicContact CG2-CB 3.93Å; V274-L287 HydrophobicContact CG2-CD1 4.34Å; V274-L287 HydrophobicContact CG2-CG 4.49Å; V274-L287 PolarHBondContact N-O 2.99Å; V274-L287 PolarHBondContact O-N 3.42Å
275	Q	97.6	Very high	87.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.1	164.6	65.4	179.2	27	0	0	109	S215 P216 Y246 E247 V249 R285 V286	S215-Q275 PolarHBondContact OG-OE1 2.97Å; P216-Q275 VanDerWaalsContact CG-NE2 3.35Å; Y246-Q275 CarbonylContact C-O 3.49Å; Y246-Q275 VanDerWaalsContact CA-O 3.29Å; Y246-Q275 WeakPolarHBondContact CA-O 3.3Å; E247-Q275 HydrophobicContact CB-CG 3.81Å; E247-Q275 PolarHBondContact N-O 3.14Å; E247-Q275 WeakPolarHBondContact O-CG 3.46Å; E247-Q275 PolarHBondContact O-N 2.9Å; E247-Q275 PolarHBondContact OE2-NE2 2.95Å; V249-Q275 HydrophobicContact CG2-CB 3.95Å; V249-Q275 HydrophobicContact CG2-CG 4.13Å; Q275-R285 CarbonylContact C-O 3.52Å; Q275-R285 WeakPolarHBondContact CA-O 3.38Å; Q275-V286 HydrophobicContact CB-CG2 4.49Å
276	D	97.6	Very high	90.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.5	169.7	178.2	11	0	0	0	108.2	T245 Y246 G278 Q284 R285	T245-D276 VanDerWaalsContact CG2-OD1 3.3Å; T245-D276 WeakPolarHBondContact CG2-OD1 3.4Å; T245-D276 WeakPolarHBondContact O-CA 3.38Å; T245-D276 PolarHBondContact OG1-OD1 2.68Å; Y246-D276 HydrophobicContact CD1-CB 3.91Å; Y246-D276 HydrophobicContact CE1-CB 3.69Å; D276-G278 PolarHBondContact O-N 3.03Å; D276-G278 PolarHBondContact OD1-N 2.83Å; D276-Q284 WeakPolarHBondContact O-CA 3.19Å; D276-R285 HydrophobicContact CB-CB 3.85Å; D276-R285 HydrophobicContact CB-CG 4.28Å; D276-R285 PolarHBondContact N-O 3.46Å; D276-R285 PolarHBondContact O-N 2.87Å; D276-R285 IonicContact OD2-CZ 3.64Å; D276-R285 IonicContact OD2-NH1 2.73Å; D276-R285 PolarHBondContact OD2-NH1 2.82Å
277	L	96	Very high	93	Very high	48 Å²	48	32 Å²	32	25%	0.251	20%	0.197	S	C	.	.			trans	-73.1	-6.8	-180	-62.6	178.7	0	0	0	113	T245 E247 L279	T245-L277 WeakPolarHBondContact O-CG 3.49Å; T245-L277 PolarHBondContact O-N 3.24Å; T245-L277 PolarHBondContact OG1-N 3.13Å; E247-L277 HydrophobicContact CG-CD1 4.35Å; L277-L279 VanDerWaalsContact C-N 3.34Å; L277-L279 HydrophobicContact CB-CD1 4.4Å; L277-L279 HydrophobicContact CB-CG 3.99Å; L277-L279 HydrophobicContact CD1-CD1 4.38Å
278	G	95.8	Very high	95.2	Very high	9 Å²	9	30 Å²	30	9%	0.093	18%	0.18	C	C	.	.	S	Bend	trans	75.4	20.3	-178.6	0	0	0	0	0	113.6	T245 D276 H280 G282 I283	T245-G278 PolarHBondContact OG1-N 3.26Å; D276-G278 PolarHBondContact O-N 3.03Å; D276-G278 PolarHBondContact OD1-N 2.83Å; G278-H280 PolarHBondContact O-N 2.89Å; G278-G282 WeakPolarHBondContact O-CA 3.44Å; G278-G282 PolarHBondContact O-N 2.9Å; G278-I283 WeakPolarHBondContact CA-O 3.3Å
279	L	96.6	Very high	96.4	Very high	107 Å²	107	26 Å²	26	56%	0.56	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-17.3	179.7	-56.3	178.2	0	0	0	112.8	T245 L277	T245-L279 PolarHBondContact OG1-N 3.34Å; L277-L279 VanDerWaalsContact C-N 3.34Å; L277-L279 HydrophobicContact CB-CD1 4.4Å; L277-L279 HydrophobicContact CB-CG 3.99Å; L277-L279 HydrophobicContact CD1-CD1 4.38Å
280	H	94.4	Very high	96.9	Very high	86 Å²	86	24.1 Å²	24.1	40%	0.398	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-42.5	179.4	-179.9	-100.2	0	0	0	112.9	T245 G278	T245-H280 HydrophobicContact CG2-CB 4.49Å; G278-H280 PolarHBondContact O-N 2.89Å
281	D	95.4	Very high	97	Very high	49 Å²	49	24.5 Å²	24.5	26%	0.262	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.9	7	-171.7	63.5	5.2	0	0	0	114.9	F196 I283 R285	F196-D281 WeakPolarHBondContact CE1-OD2 3.32Å; D281-I283 VanDerWaalsContact C-N 3.35Å; D281-I283 PolarHBondContact OD1-N 2.76Å; D281-I283 VanDerWaalsContact OD1-N 3.12Å; D281-R285 VanDerWaalsContact CG-NH1 3.35Å; D281-R285 IonicContact OD1-CZ 3.8Å; D281-R285 IonicContact OD1-NH1 3.13Å; D281-R285 PolarHBondContact OD1-NH1 3.07Å; D281-R285 IonicContact OD1-NH2 3.43Å; D281-R285 IonicContact OD2-CZ 3.52Å; D281-R285 VanDerWaalsContact OD2-CZ 3.26Å; D281-R285 IonicContact OD2-NH1 2.74Å; D281-R285 PolarHBondContact OD2-NH1 2.91Å; D281-R285 IonicContact OD2-NH2 2.73Å; D281-R285 PolarHBondContact OD2-NH2 3Å
282	G	96.4	Very high	97	Very high	51 Å²	51	23.1 Å²	23.1	53%	0.526	13%	0.131	S	C	.	.	S	Bend	trans	82.6	3.5	179	0	0	0	0	0	115.2	G278	G278-G282 WeakPolarHBondContact O-CA 3.44Å; G278-G282 PolarHBondContact O-N 2.9Å
283	I	97.9	Very high	96.8	Very high	2 Å²	2	27 Å²	27	1%	0.01	15%	0.152	C	C	.	.			trans	-113.7	122.2	-176.8	-58.3	170.5	0	0	0	110.1	D167 C170 V171 I177 G278 D281 R285	D167-I283 HydrophobicContact CB-CD1 3.89Å; C170-I283 HydrophobicContact CB-CD1 3.82Å; C170-I283 HydrophobicContact CB-CG1 3.88Å; C170-I283 HydrophobicContact CB-CG2 4.17Å; V171-I283 HydrophobicContact CG2-CD1 4.26Å; V171-I283 HydrophobicContact CG2-CG1 3.76Å; I177-I283 HydrophobicContact CD1-CG2 3.97Å; I177-I283 HydrophobicContact CG1-CG2 4.05Å; G278-I283 WeakPolarHBondContact CA-O 3.3Å; D281-I283 VanDerWaalsContact C-N 3.35Å; D281-I283 PolarHBondContact OD1-N 2.76Å; D281-I283 VanDerWaalsContact OD1-N 3.12Å; I283-R285 HydrophobicContact CG2-CG 4.23Å; I283-R285 PolarHBondContact O-NH1 3.06Å
284	Q	98.2	Very high	96.6	Very high	83 Å²	83	27.5 Å²	27.5	39%	0.388	15%	0.154	S	C	.	.			trans	-78.8	138	176	-64.3	-173.1	-45.9	0	0	111.3	G176 I177 D276 L308	G176-Q284 CarbonylContact C-O 3.47Å; G176-Q284 VanDerWaalsContact CA-O 3.26Å; G176-Q284 WeakPolarHBondContact CA-O 3.37Å; I177-Q284 PolarHBondContact N-O 2.94Å; D276-Q284 WeakPolarHBondContact O-CA 3.19Å; Q284-L308 HydrophobicContact CB-CD2 3.7Å
285	R	98.2	Very high	96.4	Very high	5 Å²	5	28.8 Å²	28.8	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.3	-179.1	-42.4	-178.8	171.2	76.6	-1.8	113.6	Y155 I177 Q275 D276 D281 I283 L287	Y155-R285 PolarHBondContact OH-NH2 3.34Å; I177-R285 HydrophobicContact CB-CG 4.15Å; I177-R285 CarbonylContact O-C 3.56Å; I177-R285 WeakPolarHBondContact O-CA 3.24Å; I177-R285 WeakPolarHBondContact O-CB 3.39Å; Q275-R285 CarbonylContact C-O 3.52Å; Q275-R285 WeakPolarHBondContact CA-O 3.38Å; D276-R285 HydrophobicContact CB-CB 3.85Å; D276-R285 HydrophobicContact CB-CG 4.28Å; D276-R285 PolarHBondContact N-O 3.46Å; D276-R285 PolarHBondContact O-N 2.87Å; D276-R285 IonicContact OD2-CZ 3.64Å; D276-R285 IonicContact OD2-NH1 2.73Å; D276-R285 PolarHBondContact OD2-NH1 2.82Å; D281-R285 VanDerWaalsContact CG-NH1 3.35Å; D281-R285 IonicContact OD1-CZ 3.8Å; D281-R285 IonicContact OD1-NH1 3.13Å; D281-R285 PolarHBondContact OD1-NH1 3.07Å; D281-R285 IonicContact OD1-NH2 3.43Å; D281-R285 IonicContact OD2-CZ 3.52Å; D281-R285 VanDerWaalsContact OD2-CZ 3.26Å; D281-R285 IonicContact OD2-NH1 2.74Å; D281-R285 PolarHBondContact OD2-NH1 2.91Å; D281-R285 IonicContact OD2-NH2 2.73Å; D281-R285 PolarHBondContact OD2-NH2 3Å; I283-R285 HydrophobicContact CG2-CG 4.23Å; I283-R285 PolarHBondContact O-NH1 3.06Å; R285-L287 HydrophobicContact CB-CD2 4.42Å
286	V	98.8	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.7	165.1	-177.9	0	0	0	0	108.3	I177 I178 G179 L217 V273 V274 Q275 F288 A304 L308	I177-V286 PolarHBondContact O-N 3.46Å; I178-V286 WeakPolarHBondContact CA-O 3.47Å; G179-V286 PolarHBondContact N-O 3.19Å; L217-V286 HydrophobicContact CD1-CB 4.38Å; L217-V286 HydrophobicContact CD1-CG1 3.96Å; L217-V286 HydrophobicContact CD1-CG2 3.46Å; L217-V286 VanDerWaalsContact CD1-CG2 3.46Å; V273-V286 HydrophobicContact CG1-CG1 4.06Å; V274-V286 WeakPolarHBondContact O-CA 3.46Å; Q275-V286 HydrophobicContact CB-CG2 4.49Å; V286-F288 HydrophobicContact CG1-CD2 4.34Å; V286-F288 HydrophobicContact CG1-CE2 3.68Å; V286-F288 HydrophobicContact CG1-CZ 4.19Å; V286-A304 HydrophobicContact CB-CB 4.06Å; V286-A304 HydrophobicContact CG1-CB 3.97Å; V286-A304 HydrophobicContact CG2-CB 3.96Å; V286-L308 HydrophobicContact CB-CD1 4.47Å; V286-L308 HydrophobicContact CG2-CD1 3.98Å; V286-L308 HydrophobicContact CG2-CD2 4.42Å; V286-L308 HydrophobicContact CG2-CG 4.2Å
287	L	98.6	Very high	96.3	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.8	-172.9	-56.4	178.2	0	0	0	110.8	I152 G179 L198 F239 Y246 V273 V274 R285	I152-L287 HydrophobicContact CD1-CD2 4.08Å; I152-L287 HydrophobicContact CG1-CD2 4.07Å; G179-L287 CarbonylContact O-C 3.52Å; G179-L287 VanDerWaalsContact O-CA 3.32Å; G179-L287 WeakPolarHBondContact O-CA 3.26Å; L198-L287 HydrophobicContact CD2-CD1 3.49Å; L198-L287 VanDerWaalsContact CD2-CD1 3.49Å; F239-L287 HydrophobicContact CE1-CB 3.99Å; F239-L287 HydrophobicContact CE1-CD1 4.47Å; F239-L287 HydrophobicContact CE2-CB 4.36Å; F239-L287 WeakPolarHBondContact CE2-O 3.42Å; F239-L287 HydrophobicContact CZ-CB 3.8Å; Y246-L287 HydrophobicContact CE1-CD1 4.49Å; V273-L287 VanDerWaalsContact CA-O 3.3Å; V273-L287 WeakPolarHBondContact CA-O 3.46Å; V273-L287 WeakPolarHBondContact CG1-O 3.49Å; V274-L287 HydrophobicContact CG2-CB 3.93Å; V274-L287 HydrophobicContact CG2-CD1 4.34Å; V274-L287 HydrophobicContact CG2-CG 4.49Å; V274-L287 PolarHBondContact N-O 2.99Å; V274-L287 PolarHBondContact O-N 3.42Å; R285-L287 HydrophobicContact CB-CD2 4.42Å
288	F	98.6	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130	179.4	-69.3	-100.2	0	0	0	110.7	I178 G179 F180 F181 V273 V286 N290 H297 V300 F301	I178-F288 HydrophobicContact CG2-CD2 4.04Å; I178-F288 HydrophobicContact CG2-CE2 3.82Å; G179-F288 PolarHBondContact O-N 3.39Å; F180-F288 HydrophobicContact CD1-CB 3.49Å; F180-F288 VanDerWaalsContact CD1-CB 3.49Å; F180-F288 HydrophobicContact CD1-CD2 4.25Å; F180-F288 AromaticContact CD1-CG 3.93Å; F180-F288 HydrophobicContact CD1-CG 3.93Å; F180-F288 HydrophobicContact CE1-CB 3.75Å; F180-F288 HydrophobicContact CE1-CD1 4.14Å; F180-F288 AromaticContact CE1-CD2 3.84Å; F180-F288 HydrophobicContact CE1-CD2 3.84Å; F180-F288 AromaticContact CE1-CG 3.64Å; F180-F288 HydrophobicContact CE1-CG 3.64Å; F180-F288 HydrophobicContact CG-CB 4.24Å; F180-F288 HydrophobicContact CZ-CD2 4.03Å; F180-F288 HydrophobicContact CZ-CE2 4.38Å; F180-F288 HydrophobicContact CZ-CG 4.29Å; F181-F288 PolarHBondContact N-O 3.26Å; V273-F288 HydrophobicContact CG1-CD1 4.15Å; V273-F288 HydrophobicContact CG1-CE1 4.12Å; V273-F288 HydrophobicContact CG1-CG 4.4Å; V273-F288 HydrophobicContact CG1-CZ 4.33Å; V273-F288 HydrophobicContact CG2-CD1 3.62Å; V273-F288 HydrophobicContact CG2-CE1 4.04Å; V273-F288 HydrophobicContact CG2-CG 4.28Å; V286-F288 HydrophobicContact CG1-CD2 4.34Å; V286-F288 HydrophobicContact CG1-CE2 3.68Å; V286-F288 HydrophobicContact CG1-CZ 4.19Å; F288-N290 VanDerWaalsContact C-N 3.29Å; F288-N290 PolarHBondContact O-N 3.3Å; F288-H297 HydrophobicContact CD1-CB 4.07Å; F288-H297 AromaticContact CD1-CG 3.84Å; F288-H297 AromaticContact CD1-ND1 3.99Å; F288-H297 HydrophobicContact CE1-CB 4.14Å; F288-V300 HydrophobicContact CE1-CB 4.11Å; F288-V300 HydrophobicContact CE1-CG1 3.94Å; F288-V300 HydrophobicContact CZ-CB 4.32Å; F288-V300 HydrophobicContact CZ-CG1 3.87Å; F288-F301 HydrophobicContact CE1-CB 4.48Å; F288-F301 HydrophobicContact CZ-CB 4.02Å
289	G	97.3	Very high	96.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-87.5	12.4	-179.2	0	0	0	0	0	115	F181 T237 S272	F181-G289 CarbonylContact O-C 3.58Å; F181-G289 WeakPolarHBondContact O-CA 3.2Å; T237-G289 PolarHBondContact N-O 3.32Å; T237-G289 VanDerWaalsContact O-CA 3.3Å; T237-G289 WeakPolarHBondContact O-CA 3.45Å; S272-G289 PolarHBondContact O-N 3.4Å
290	N	96.5	Very high	96.4	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.043	12%	0.121	C	C	.	.	S	Bend	trans	-164.8	177.4	168.3	-151.5	-36.7	0	0	0	108.8	F180 F181 D235 W236 F288 H297	F180-N290 WeakPolarHBondContact CD1-O 3.3Å; F181-N290 PolarHBondContact O-N 3.23Å; D235-N290 PolarHBondContact OD1-ND2 3.34Å; W236-N290 HydrophobicContact CD2-CB 3.89Å; W236-N290 HydrophobicContact CE3-CB 3.64Å; W236-N290 HydrophobicContact CH2-CB 4.01Å; W236-N290 HydrophobicContact CZ2-CB 4.23Å; W236-N290 HydrophobicContact CZ3-CB 3.74Å; W236-N290 PolarHBondContact NE1-ND2 2.88Å; F288-N290 VanDerWaalsContact C-N 3.29Å; F288-N290 PolarHBondContact O-N 3.3Å; N290-H297 PolarHBondContact O-ND1 3.17Å
291	N	95.1	Very high	96.6	Very high	23 Å²	23	18.3 Å²	18.3	12%	0.123	10%	0.102	C	C	.	.			trans	-71.3	-176.2	179.1	-70	2.7	0	0	0	113.2	L107 K182 N293 H297	L107-N291 HydrophobicContact CD1-CB 4.15Å; L107-N291 WeakPolarHBondContact CD2-OD1 3.39Å; K182-N291 WeakPolarHBondContact CB-OD1 3.4Å; K182-N291 HydrophobicContact CD-CB 4.44Å; K182-N291 WeakPolarHBondContact CD-ND2 3.45Å; K182-N291 WeakPolarHBondContact CD-OD1 3.25Å; N291-N293 VanDerWaalsContact C-N 3.32Å; N291-N293 PolarHBondContact O-N 3.16Å; N291-H297 PolarHBondContact O-ND1 3.01Å
292	L	95.8	Very high	96.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.4	179.1	-65.8	176.8	0	0	0	114.4	L107 E110 I111 I114 F180 F294 H297 K298 F301	L107-L292 HydrophobicContact CD1-CB 4.14Å; L107-L292 HydrophobicContact CD1-CD1 4.03Å; L107-L292 HydrophobicContact CD1-CG 3.78Å; E110-L292 HydrophobicContact CB-CB 4.49Å; E110-L292 HydrophobicContact CB-CD1 4.33Å; E110-L292 WeakPolarHBondContact OE2-CB 3.44Å; I111-L292 HydrophobicContact CG1-CD1 3.79Å; I114-L292 HydrophobicContact CD1-CD1 3.89Å; F180-L292 HydrophobicContact CE1-CD2 3.67Å; F180-L292 HydrophobicContact CE1-CG 3.81Å; F180-L292 HydrophobicContact CZ-CD1 4.23Å; F180-L292 HydrophobicContact CZ-CD2 3.85Å; F180-L292 HydrophobicContact CZ-CG 3.97Å; L292-F294 PolarHBondContact O-N 3.2Å; L292-F294 VanDerWaalsContact O-N 3.12Å; L292-H297 HydrophobicContact CD2-CB 3.95Å; L292-K298 HydrophobicContact CB-CG 4.11Å; L292-K298 HydrophobicContact CD2-CG 4.42Å; L292-K298 WeakPolarHBondContact O-CE 3.47Å; L292-K298 WeakPolarHBondContact O-CG 3.37Å; L292-F301 HydrophobicContact CD2-CB 3.93Å; L292-F301 HydrophobicContact CD2-CG 4.22Å
293	N	91.4	Very high	96.8	Very high	82 Å²	82	13.9 Å²	13.9	44%	0.439	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.3	174.6	-74.4	-22.9	0	0	0	113.1	E110 N291	E110-N293 PolarHBondContact OE1-OD1 3.08Å; N291-N293 VanDerWaalsContact C-N 3.32Å; N291-N293 PolarHBondContact O-N 3.16Å
294	F	94.6	Very high	96.8	Very high	10 Å²	10	13.8 Å²	13.8	4%	0.044	7%	0.066	C	C	.	.	S	Bend	trans	-84.4	119.7	172.8	-179.5	-132	0	0	0	110.8	C209 L227 L231 P232 W236 L292 L296 H297 K298	C209-F294 HydrophobicContact CB-CZ 4.31Å; L227-F294 HydrophobicContact CD2-CE2 3.52Å; L227-F294 HydrophobicContact CD2-CZ 3.58Å; L231-F294 HydrophobicContact CD2-CD1 4.18Å; L231-F294 HydrophobicContact CD2-CD2 3.9Å; L231-F294 HydrophobicContact CD2-CE1 3.63Å; L231-F294 HydrophobicContact CD2-CE2 3.36Å; L231-F294 HydrophobicContact CD2-CG 4.3Å; L231-F294 HydrophobicContact CD2-CZ 3.22Å; P232-F294 HydrophobicContact CG-CD2 4.42Å; W236-F294 HydrophobicContact CH2-CB 3.84Å; W236-F294 AromaticContact CH2-CD1 3.6Å; W236-F294 HydrophobicContact CH2-CD1 3.6Å; W236-F294 HydrophobicContact CH2-CE1 4.37Å; W236-F294 AromaticContact CH2-CG 3.88Å; W236-F294 HydrophobicContact CH2-CG 3.88Å; W236-F294 HydrophobicContact CZ2-CB 4.14Å; W236-F294 HydrophobicContact CZ2-CD1 4.43Å; W236-F294 HydrophobicContact CZ2-CG 4.32Å; W236-F294 HydrophobicContact CZ3-CD1 4.46Å; L292-F294 PolarHBondContact O-N 3.2Å; L292-F294 VanDerWaalsContact O-N 3.12Å; F294-L296 VanDerWaalsContact C-N 3.27Å; F294-L296 HydrophobicContact CD1-CB 4.06Å; F294-L296 HydrophobicContact CE1-CB 3.49Å; F294-L296 VanDerWaalsContact CE1-CB 3.49Å; F294-L296 HydrophobicContact CE1-CD2 4.15Å; F294-L296 HydrophobicContact CE1-CG 4.35Å; F294-L296 HydrophobicContact CE2-CB 4.35Å; F294-L296 HydrophobicContact CZ-CB 3.62Å; F294-L296 HydrophobicContact CZ-CD2 4.2Å; F294-L296 PolarHBondContact O-N 3.2Å; F294-L296 VanDerWaalsContact O-N 3.15Å; F294-H297 AromaticContact CD1-CD2 3.63Å; F294-H297 VanDerWaalsContact O-CB 3.29Å; F294-H297 WeakPolarHBondContact O-CB 3.29Å; F294-H297 PolarHBondContact O-N 3.15Å; F294-K298 PolarHBondContact O-N 3.38Å
295	W	94.4	Very high	96.9	Very high	33 Å²	33	9.9 Å²	9.9	13%	0.125	5%	0.048	C	C	.	.	H	α-helix	trans	-60.2	-30.4	-170.8	66.1	-96.8	0	0	0	114.4	L227 H297 K298 L299 G518 F522 F556 W560	L227-W295 HydrophobicContact CD1-CZ2 4.04Å; L227-W295 HydrophobicContact CD2-CZ2 3.83Å; L227-W295 HydrophobicContact CG-CZ2 4.46Å; W295-H297 VanDerWaalsContact C-N 3.3Å; W295-H297 PolarHBondContact O-N 3.24Å; W295-K298 WeakPolarHBondContact O-CB 3.43Å; W295-K298 PolarHBondContact O-N 2.96Å; W295-K298 VanDerWaalsContact O-N 3.15Å; W295-L299 HydrophobicContact CE3-CD1 3.89Å; W295-L299 HydrophobicContact CZ3-CD1 3.53Å; W295-L299 PolarHBondContact O-N 3.48Å; W295-G518 WeakPolarHBondContact CB-O 3.33Å; W295-F522 HydrophobicContact CE3-CE1 4.39Å; W295-F556 HydrophobicContact CD2-CZ 4.33Å; W295-F556 HydrophobicContact CE3-CE1 4.47Å; W295-F556 HydrophobicContact CE3-CZ 4.24Å; W295-F556 HydrophobicContact CH2-CZ 4.02Å; W295-F556 HydrophobicContact CZ2-CZ 4.06Å; W295-F556 HydrophobicContact CZ3-CE1 4.37Å; W295-F556 HydrophobicContact CZ3-CZ 4.07Å; W295-W560 HydrophobicContact CH2-CB 4.36Å; W295-W560 AromaticContact CH2-CD2 3.42Å; W295-W560 HydrophobicContact CH2-CD2 3.42Å; W295-W560 VanDerWaalsContact CH2-CD2 3.42Å; W295-W560 AromaticContact CH2-CE2 3.65Å; W295-W560 AromaticContact CH2-CE3 3.66Å; W295-W560 HydrophobicContact CH2-CE3 3.66Å; W295-W560 AromaticContact CH2-CG 3.73Å; W295-W560 HydrophobicContact CH2-CG 3.73Å; W295-W560 HydrophobicContact CH2-CH2 4.31Å; W295-W560 HydrophobicContact CH2-CZ2 4.1Å; W295-W560 HydrophobicContact CH2-CZ3 4.09Å; W295-W560 HydrophobicContact CZ2-CD2 4.35Å; W295-W560 HydrophobicContact CZ2-CZ2 4.3Å; W295-W560 HydrophobicContact CZ3-CB 4.21Å; W295-W560 HydrophobicContact CZ3-CD2 4.13Å; W295-W560 HydrophobicContact CZ3-CE3 4.36Å; W295-W560 HydrophobicContact CZ3-CG 4.04Å
296	L	95.6	Very high	96.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-71.3	-27.9	177.2	-170.1	61.4	0	0	0	111.5	V211 T221 L250 F294 K298 L299 V300	V211-L296 HydrophobicContact CG2-CD1 3.93Å; V211-L296 HydrophobicContact CG2-CD2 3.91Å; V211-L296 HydrophobicContact CG2-CG 4.38Å; T221-L296 HydrophobicContact CG2-CD1 4.26Å; L250-L296 HydrophobicContact CD1-CD2 4.06Å; L250-L296 HydrophobicContact CD1-CG 3.98Å; L250-L296 HydrophobicContact CD2-CD2 3.74Å; L250-L296 HydrophobicContact CD2-CG 4.03Å; F294-L296 VanDerWaalsContact C-N 3.27Å; F294-L296 HydrophobicContact CD1-CB 4.06Å; F294-L296 HydrophobicContact CE1-CB 3.49Å; F294-L296 VanDerWaalsContact CE1-CB 3.49Å; F294-L296 HydrophobicContact CE1-CD2 4.15Å; F294-L296 HydrophobicContact CE1-CG 4.35Å; F294-L296 HydrophobicContact CE2-CB 4.35Å; F294-L296 HydrophobicContact CZ-CB 3.62Å; F294-L296 HydrophobicContact CZ-CD2 4.2Å; F294-L296 PolarHBondContact O-N 3.2Å; F294-L296 VanDerWaalsContact O-N 3.15Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-L299 HydrophobicContact CD1-CB 4.41Å; L296-L299 HydrophobicContact CD1-CD1 3.94Å; L296-L299 PolarHBondContact O-N 3.41Å; L296-V300 WeakPolarHBondContact O-CG2 3.48Å; L296-V300 PolarHBondContact O-N 2.88Å
297	H	97.3	Very high	96.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.4	-39.7	168.7	-73.8	-170.5	0	0	0	111.3	W236 F288 N290 N291 L292 F294 W295 L299 V300 F301	W236-H297 AromaticContact CH2-CE1 3.64Å; W236-H297 AromaticContact CH2-NE2 3.78Å; W236-H297 AromaticContact CZ3-CE1 3.31Å; W236-H297 WeakPolarHBondContact CZ3-CE1 3.27Å; W236-H297 AromaticContact CZ3-NE2 3.39Å; W236-H297 WeakPolarHBondContact CZ3-NE2 3.27Å; F288-H297 HydrophobicContact CD1-CB 4.07Å; F288-H297 AromaticContact CD1-CG 3.84Å; F288-H297 AromaticContact CD1-ND1 3.99Å; F288-H297 HydrophobicContact CE1-CB 4.14Å; N290-H297 PolarHBondContact O-ND1 3.17Å; N291-H297 PolarHBondContact O-ND1 3.01Å; L292-H297 HydrophobicContact CD2-CB 3.95Å; F294-H297 AromaticContact CD1-CD2 3.63Å; F294-H297 VanDerWaalsContact O-CB 3.29Å; F294-H297 WeakPolarHBondContact O-CB 3.29Å; F294-H297 PolarHBondContact O-N 3.15Å; W295-H297 VanDerWaalsContact C-N 3.3Å; W295-H297 PolarHBondContact O-N 3.24Å; H297-L299 VanDerWaalsContact C-N 3.3Å; H297-L299 PolarHBondContact O-N 3.44Å; H297-V300 PolarHBondContact O-N 3.4Å; H297-F301 WeakPolarHBondContact O-CB 3.44Å; H297-F301 PolarHBondContact O-N 2.9Å
298	K	96.8	Very high	96.7	Very high	33 Å²	33	12.9 Å²	12.9	14%	0.143	6%	0.062	C	C	.	.	H	α-helix	trans	-60.3	-40.8	175.6	-63	178.5	172	170.9	0	111.6	I114 L292 F294 W295 L296 V302 L523	I114-K298 HydrophobicContact CD1-CB 4.27Å; I114-K298 HydrophobicContact CD1-CG 4.16Å; L292-K298 HydrophobicContact CB-CG 4.11Å; L292-K298 HydrophobicContact CD2-CG 4.42Å; L292-K298 WeakPolarHBondContact O-CE 3.47Å; L292-K298 WeakPolarHBondContact O-CG 3.37Å; F294-K298 PolarHBondContact O-N 3.38Å; W295-K298 WeakPolarHBondContact O-CB 3.43Å; W295-K298 PolarHBondContact O-N 2.96Å; W295-K298 VanDerWaalsContact O-N 3.15Å; L296-K298 VanDerWaalsContact C-N 3.32Å; K298-V302 WeakPolarHBondContact O-CG2 3.5Å; K298-V302 PolarHBondContact O-N 3.02Å; K298-L523 HydrophobicContact CB-CD2 4.06Å; K298-L523 HydrophobicContact CD-CD1 3.58Å; K298-L523 HydrophobicContact CD-CD2 3.71Å; K298-L523 HydrophobicContact CD-CG 4.28Å
299	L	95.8	Very high	96.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.4	-53.1	175.1	-86.9	173.5	0	0	0	112.7	I220 W295 L296 H297 F301 V302 D303 F522 L526 W560 T561	I220-L299 HydrophobicContact CG2-CD2 4.24Å; W295-L299 HydrophobicContact CE3-CD1 3.89Å; W295-L299 HydrophobicContact CZ3-CD1 3.53Å; W295-L299 PolarHBondContact O-N 3.48Å; L296-L299 HydrophobicContact CD1-CB 4.41Å; L296-L299 HydrophobicContact CD1-CD1 3.94Å; L296-L299 PolarHBondContact O-N 3.41Å; H297-L299 VanDerWaalsContact C-N 3.3Å; H297-L299 PolarHBondContact O-N 3.44Å; L299-F301 PolarHBondContact O-N 3.47Å; L299-V302 PolarHBondContact O-N 2.86Å; L299-V302 VanDerWaalsContact O-N 3.16Å; L299-D303 PolarHBondContact O-N 3.37Å; L299-F522 HydrophobicContact CD1-CE1 4.15Å; L299-F522 HydrophobicContact CD1-CZ 3.84Å; L299-F522 HydrophobicContact CD2-CE1 4.27Å; L299-F522 HydrophobicContact CD2-CZ 3.86Å; L299-F522 HydrophobicContact CG-CE1 4.03Å; L299-F522 HydrophobicContact CG-CZ 3.96Å; L299-L526 HydrophobicContact CD2-CD1 3.46Å; L299-L526 VanDerWaalsContact CD2-CD1 3.46Å; L299-L526 HydrophobicContact CD2-CD2 3.61Å; L299-L526 HydrophobicContact CD2-CG 4.16Å; L299-L526 HydrophobicContact CG-CD2 4.14Å; L299-W560 HydrophobicContact CD1-CB 4.46Å; L299-T561 HydrophobicContact CD1-CG2 4.47Å; L299-T561 HydrophobicContact CD2-CG2 3.97Å
300	V	97.9	Very high	96.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.1	-31.7	-179.7	174	0	0	0	0	111.2	L217 T221 V249 L250 V273 F288 L296 H297 D303 A304	L217-V300 HydrophobicContact CD2-CG1 4Å; T221-V300 HydrophobicContact CG2-CG2 4.5Å; V249-V300 HydrophobicContact CG1-CG1 3.68Å; V249-V300 HydrophobicContact CG1-CG2 4.4Å; L250-V300 HydrophobicContact CD1-CG2 4.01Å; L250-V300 HydrophobicContact CD2-CG2 3.85Å; L250-V300 HydrophobicContact CG-CG2 3.97Å; V273-V300 HydrophobicContact CG1-CG1 4.1Å; F288-V300 HydrophobicContact CE1-CB 4.11Å; F288-V300 HydrophobicContact CE1-CG1 3.94Å; F288-V300 HydrophobicContact CZ-CB 4.32Å; F288-V300 HydrophobicContact CZ-CG1 3.87Å; L296-V300 WeakPolarHBondContact O-CG2 3.48Å; L296-V300 PolarHBondContact O-N 2.88Å; H297-V300 PolarHBondContact O-N 3.4Å; V300-D303 PolarHBondContact O-N 3.33Å; V300-A304 WeakPolarHBondContact O-CB 3.47Å; V300-A304 PolarHBondContact O-N 3.46Å
301	F	98.5	Very high	96.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.6	-44	174.3	175.3	-100.9	0	0	0	112.3	I111 I114 I148 I178 F180 F288 L292 H297 L299 D303 A304 V305	I111-F301 HydrophobicContact CG2-CZ 4Å; I114-F301 HydrophobicContact CB-CD1 4.4Å; I114-F301 HydrophobicContact CB-CE1 4.06Å; I114-F301 HydrophobicContact CD1-CD1 3.86Å; I114-F301 HydrophobicContact CD1-CE1 4.23Å; I114-F301 HydrophobicContact CG2-CD1 3.88Å; I114-F301 HydrophobicContact CG2-CE1 3.74Å; I148-F301 HydrophobicContact CD1-CE2 3.93Å; I148-F301 HydrophobicContact CD1-CZ 3.81Å; I178-F301 HydrophobicContact CD1-CD2 4.17Å; I178-F301 HydrophobicContact CD1-CE2 3.89Å; I178-F301 HydrophobicContact CG2-CD2 4.24Å; I178-F301 HydrophobicContact CG2-CE2 4.2Å; F180-F301 HydrophobicContact CE2-CD2 4.33Å; F180-F301 HydrophobicContact CE2-CE2 4.26Å; F180-F301 AromaticContact CZ-CD2 3.8Å; F180-F301 HydrophobicContact CZ-CD2 3.8Å; F180-F301 HydrophobicContact CZ-CE2 4.14Å; F288-F301 HydrophobicContact CE1-CB 4.48Å; F288-F301 HydrophobicContact CZ-CB 4.02Å; L292-F301 HydrophobicContact CD2-CB 3.93Å; L292-F301 HydrophobicContact CD2-CG 4.22Å; H297-F301 WeakPolarHBondContact O-CB 3.44Å; H297-F301 PolarHBondContact O-N 2.9Å; L299-F301 PolarHBondContact O-N 3.47Å; F301-D303 VanDerWaalsContact C-N 3.3Å; F301-D303 PolarHBondContact O-N 2.89Å; F301-A304 WeakPolarHBondContact O-CB 3.27Å; F301-A304 PolarHBondContact O-N 3.38Å; F301-V305 HydrophobicContact CE1-CG2 4.09Å; F301-V305 HydrophobicContact CE2-CG2 4.19Å; F301-V305 HydrophobicContact CZ-CG2 3.88Å; F301-V305 WeakPolarHBondContact O-CG2 3.4Å; F301-V305 PolarHBondContact O-N 3.14Å
302	V	97.9	Very high	96.4	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-41.4	175.8	177.2	0	0	0	0	110.9	I114 I220 K298 L299 V305 A306 L315 L526 L527	I114-V302 HydrophobicContact CG2-CG2 4.02Å; I220-V302 HydrophobicContact CD1-CG1 3.7Å; K298-V302 WeakPolarHBondContact O-CG2 3.5Å; K298-V302 PolarHBondContact O-N 3.02Å; L299-V302 PolarHBondContact O-N 2.86Å; L299-V302 VanDerWaalsContact O-N 3.16Å; V302-V305 PolarHBondContact O-N 3.36Å; V302-A306 PolarHBondContact O-N 3.12Å; V302-A306 VanDerWaalsContact O-N 3.16Å; V302-L315 HydrophobicContact CG1-CD1 4.19Å; V302-L526 HydrophobicContact CG2-CD2 4.44Å; V302-L527 HydrophobicContact CG2-CD2 3.79Å
303	D	98.2	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-38.4	175.6	-78.7	-13.1	0	0	0	112.5	L217 L219 I220 T221 L299 V300 F301 A306 F307	L217-D303 HydrophobicContact CD2-CB 3.47Å; L217-D303 VanDerWaalsContact CD2-CB 3.47Å; L217-D303 HydrophobicContact CG-CB 4.4Å; L219-D303 WeakPolarHBondContact CB-OD1 3.38Å; L219-D303 VanDerWaalsContact N-CG 3.34Å; L219-D303 PolarHBondContact N-OD1 3.35Å; L219-D303 PolarHBondContact N-OD2 3.35Å; L219-D303 VanDerWaalsContact N-OD2 3.11Å; I220-D303 WeakPolarHBondContact CB-OD1 3.41Å; I220-D303 PolarHBondContact N-OD1 2.85Å; I220-D303 PolarHBondContact N-OD2 3.48Å; T221-D303 WeakPolarHBondContact CB-OD2 3.2Å; T221-D303 PolarHBondContact N-OD2 2.98Å; T221-D303 PolarHBondContact OG1-OD2 3.47Å; L299-D303 PolarHBondContact O-N 3.37Å; V300-D303 PolarHBondContact O-N 3.33Å; F301-D303 VanDerWaalsContact C-N 3.3Å; F301-D303 PolarHBondContact O-N 2.89Å; D303-A306 PolarHBondContact O-N 2.97Å; D303-F307 VanDerWaalsContact O-CB 3.27Å; D303-F307 WeakPolarHBondContact O-CB 3.27Å; D303-F307 PolarHBondContact O-N 2.96Å
304	A	98.6	Very high	96.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-43	176.4	0	0	0	0	0	112.1	I178 L217 V286 V300 F301 A306 F307 L308	I178-A304 HydrophobicContact CD1-CB 3.85Å; I178-A304 HydrophobicContact CG1-CB 4.39Å; L217-A304 HydrophobicContact CD1-CB 4.06Å; V286-A304 HydrophobicContact CB-CB 4.06Å; V286-A304 HydrophobicContact CG1-CB 3.97Å; V286-A304 HydrophobicContact CG2-CB 3.96Å; V300-A304 WeakPolarHBondContact O-CB 3.47Å; V300-A304 PolarHBondContact O-N 3.46Å; F301-A304 WeakPolarHBondContact O-CB 3.27Å; F301-A304 PolarHBondContact O-N 3.38Å; A304-A306 VanDerWaalsContact C-N 3.34Å; A304-F307 PolarHBondContact O-N 2.89Å; A304-L308 WeakPolarHBondContact O-CB 3.42Å; A304-L308 WeakPolarHBondContact O-CG 3.32Å; A304-L308 PolarHBondContact O-N 3.02Å
305	V	98.4	Very high	96.5	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-60.6	-45.2	174.4	173	0	0	0	0	110.4	F120 L146 I178 F301 V302 T309 L313	F120-V305 HydrophobicContact CD2-CG1 4.18Å; F120-V305 HydrophobicContact CE2-CG1 4.06Å; L146-V305 HydrophobicContact CD2-CB 4.35Å; L146-V305 HydrophobicContact CD2-CG1 4.15Å; L146-V305 HydrophobicContact CD2-CG2 3.99Å; I178-V305 HydrophobicContact CD1-CG2 3.76Å; F301-V305 HydrophobicContact CE1-CG2 4.09Å; F301-V305 HydrophobicContact CE2-CG2 4.19Å; F301-V305 HydrophobicContact CZ-CG2 3.88Å; F301-V305 WeakPolarHBondContact O-CG2 3.4Å; F301-V305 PolarHBondContact O-N 3.14Å; V302-V305 PolarHBondContact O-N 3.36Å; V305-T309 WeakPolarHBondContact O-CB 3.33Å; V305-T309 WeakPolarHBondContact O-CG2 3.49Å; V305-T309 PolarHBondContact O-N 3.29Å; V305-T309 PolarHBondContact O-OG1 3.08Å; V305-L313 HydrophobicContact CG1-CB 3.87Å; V305-L313 HydrophobicContact CG1-CD1 4.49Å
306	A	97.7	Very high	96.5	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-42.7	177.6	0	0	0	0	0	112.3	L219 V302 D303 A304 T309 G310 K311 L313	L219-A306 HydrophobicContact CD2-CB 4.12Å; V302-A306 PolarHBondContact O-N 3.12Å; V302-A306 VanDerWaalsContact O-N 3.16Å; D303-A306 PolarHBondContact O-N 2.97Å; A304-A306 VanDerWaalsContact C-N 3.34Å; A306-T309 PolarHBondContact O-OG1 3.21Å; A306-G310 PolarHBondContact O-N 3.33Å; A306-K311 VanDerWaalsContact O-CA 3.32Å; A306-K311 WeakPolarHBondContact O-CA 3.46Å; A306-K311 PolarHBondContact O-N 3.04Å; A306-L313 VanDerWaalsContact CA-O 3.29Å; A306-L313 WeakPolarHBondContact CA-O 3.42Å
307	F	97.6	Very high	96.5	Very high	58 Å²	58	28.5 Å²	28.5	25%	0.254	16%	0.16	S	C	.	.	H	α-helix	trans	-65	-55.8	-178.3	-179.5	-99.3	0	0	0	111.7	P216 L217 D303 A304 T309 G310	P216-F307 HydrophobicContact CB-CE2 4.27Å; P216-F307 HydrophobicContact CG-CE2 4.37Å; L217-F307 HydrophobicContact CB-CD2 4.43Å; L217-F307 HydrophobicContact CB-CG 4.33Å; L217-F307 HydrophobicContact CG-CB 4.17Å; L217-F307 HydrophobicContact CG-CG 4.36Å; D303-F307 VanDerWaalsContact O-CB 3.27Å; D303-F307 WeakPolarHBondContact O-CB 3.27Å; D303-F307 PolarHBondContact O-N 2.96Å; A304-F307 PolarHBondContact O-N 2.89Å; F307-T309 PolarHBondContact O-N 3.18Å; F307-G310 PolarHBondContact O-N 3.43Å; F307-G310 VanDerWaalsContact O-N 3.1Å
308	L	97.9	Very high	96.6	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.052	17%	0.172	C	C	.	.	H	α-helix	trans	-69.1	-17.6	-175.4	-68	176.8	0	0	0	113.7	L146 I178 Q284 V286 A304	L146-L308 HydrophobicContact CD1-CB 3.8Å; L146-L308 HydrophobicContact CD1-CD1 3.83Å; I178-L308 HydrophobicContact CD1-CD1 4.37Å; I178-L308 HydrophobicContact CG1-CD1 3.58Å; Q284-L308 HydrophobicContact CB-CD2 3.7Å; V286-L308 HydrophobicContact CB-CD1 4.47Å; V286-L308 HydrophobicContact CG2-CD1 3.98Å; V286-L308 HydrophobicContact CG2-CD2 4.42Å; V286-L308 HydrophobicContact CG2-CG 4.2Å; A304-L308 WeakPolarHBondContact O-CB 3.42Å; A304-L308 WeakPolarHBondContact O-CG 3.32Å; A304-L308 PolarHBondContact O-N 3.02Å
309	T	96.8	Very high	96.6	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.031	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5	176.3	63.4	0	0	0	0	113.4	T145 L146 V305 A306 F307 K311 R312 L313	T145-T309 HydrophobicContact CG2-CG2 3.98Å; L146-T309 HydrophobicContact CB-CG2 3.91Å; L146-T309 HydrophobicContact CD2-CG2 4.33Å; V305-T309 WeakPolarHBondContact O-CB 3.33Å; V305-T309 WeakPolarHBondContact O-CG2 3.49Å; V305-T309 PolarHBondContact O-N 3.29Å; V305-T309 PolarHBondContact O-OG1 3.08Å; A306-T309 PolarHBondContact O-OG1 3.21Å; F307-T309 PolarHBondContact O-N 3.18Å; T309-K311 PolarHBondContact O-N 3.41Å; T309-R312 WeakPolarHBondContact O-CB 3.42Å; T309-R312 WeakPolarHBondContact O-CG 3.4Å; T309-R312 PolarHBondContact O-N 3.43Å; T309-R312 PolarHBondContact O-NE 2.75Å; T309-L313 HydrophobicContact CG2-CB 4.13Å; T309-L313 HydrophobicContact CG2-CD1 4.05Å; T309-L313 HydrophobicContact CG2-CG 4.1Å; T309-L313 PolarHBondContact OG1-N 3.15Å; T309-L313 VanDerWaalsContact OG1-N 3.1Å
310	G	94.4	Very high	96.7	Very high	64 Å²	64	30.5 Å²	30.5	66%	0.66	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	36.2	-174.4	0	0	0	0	0	112.1	A306 F307 R312	A306-G310 PolarHBondContact O-N 3.33Å; F307-G310 PolarHBondContact O-N 3.43Å; F307-G310 VanDerWaalsContact O-N 3.1Å; G310-R312 PolarHBondContact O-N 2.91Å
311	K	94.3	Very high	96.7	Very high	129 Å²	129	30.8 Å²	30.8	56%	0.561	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	10.2	-175.3	-56.4	179.9	179.7	178.1	0	115.5	A306 T309 L313 S314	A306-K311 VanDerWaalsContact O-CA 3.32Å; A306-K311 WeakPolarHBondContact O-CA 3.46Å; A306-K311 PolarHBondContact O-N 3.04Å; T309-K311 PolarHBondContact O-N 3.41Å; K311-L313 VanDerWaalsContact C-N 3.27Å; K311-L313 PolarHBondContact O-N 3.4Å; K311-S314 WeakPolarHBondContact O-CB 3.37Å; K311-S314 PolarHBondContact O-OG 2.84Å
312	R	93.9	Very high	96.7	Very high	96 Å²	96	30.8 Å²	30.8	36%	0.362	17%	0.17	S	C	.	.	S	Bend	trans	-63.3	-34.3	173.2	-69.6	-169.6	-68.4	163.8	-11.4	112.4	T92 T145 T309 G310	T92-R312 PolarHBondContact O-NH1 2.88Å; T92-R312 VanDerWaalsContact O-NH1 3.08Å; T92-R312 PolarHBondContact OG1-NH1 3.43Å; T92-R312 PolarHBondContact OG1-NH2 3.44Å; T145-R312 VanDerWaalsContact OG1-CZ 3.23Å; T145-R312 PolarHBondContact OG1-NH2 3.36Å; T309-R312 WeakPolarHBondContact O-CB 3.42Å; T309-R312 WeakPolarHBondContact O-CG 3.4Å; T309-R312 PolarHBondContact O-N 3.43Å; T309-R312 PolarHBondContact O-NE 2.75Å; G310-R312 PolarHBondContact O-N 2.91Å
313	L	95.4	Very high	96.7	Very high	9 Å²	9	30.5 Å²	30.5	5%	0.047	17%	0.168	C	C	.	.	S	Bend	trans	-111	83.7	168.9	-58.1	-175.8	0	0	0	108.4	P94 V96 F120 T145 V305 A306 T309 K311	P94-L313 HydrophobicContact CB-CD2 3.99Å; V96-L313 HydrophobicContact CG2-CD1 3.39Å; F120-L313 HydrophobicContact CB-CD1 4.48Å; F120-L313 HydrophobicContact CB-CD2 4.49Å; F120-L313 HydrophobicContact CD1-CB 4.09Å; F120-L313 HydrophobicContact CD1-CD2 3.98Å; F120-L313 HydrophobicContact CD2-CB 4.41Å; F120-L313 HydrophobicContact CE1-CB 4.12Å; F120-L313 HydrophobicContact CE2-CB 4.43Å; F120-L313 HydrophobicContact CG-CB 4.26Å; F120-L313 HydrophobicContact CG-CD2 4.35Å; F120-L313 HydrophobicContact CZ-CB 4.29Å; T145-L313 HydrophobicContact CG2-CD1 3.69Å; T145-L313 HydrophobicContact CG2-CG 4.15Å; V305-L313 HydrophobicContact CG1-CB 3.87Å; V305-L313 HydrophobicContact CG1-CD1 4.49Å; A306-L313 VanDerWaalsContact CA-O 3.29Å; A306-L313 WeakPolarHBondContact CA-O 3.42Å; T309-L313 HydrophobicContact CG2-CB 4.13Å; T309-L313 HydrophobicContact CG2-CD1 4.05Å; T309-L313 HydrophobicContact CG2-CG 4.1Å; T309-L313 PolarHBondContact OG1-N 3.15Å; T309-L313 VanDerWaalsContact OG1-N 3.1Å; K311-L313 VanDerWaalsContact C-N 3.27Å; K311-L313 PolarHBondContact O-N 3.4Å
314	S	95.1	Very high	96.7	Very high	48 Å²	48	30.5 Å²	30.5	34%	0.336	17%	0.168	S	C	.	.			trans	-138	149.4	-179.6	65	0	0	0	0	112.5	K311	K311-S314 WeakPolarHBondContact O-CB 3.37Å; K311-S314 PolarHBondContact O-OG 2.84Å
315	L	93.3	Very high	96.7	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.084	17%	0.168	C	C	.	.			trans	-95.3	141.7	171.1	-59.1	177.3	0	0	0	109.2	F120 I220 V302 L527	F120-L315 HydrophobicContact CE1-CD2 4.41Å; F120-L315 HydrophobicContact CZ-CD2 4.01Å; F120-L315 HydrophobicContact CZ-CG 4.11Å; I220-L315 HydrophobicContact CD1-CB 4.21Å; V302-L315 HydrophobicContact CG1-CD1 4.19Å; L315-L527 HydrophobicContact CD1-CD2 4.23Å
316	S	94.4	Very high	96.7	Very high	69 Å²	69	30.6 Å²	30.6	48%	0.483	17%	0.169	S	C	.	.			trans	-58.7	162.5	173.1	-175.4	0	0	0	0	111.1	E318 R319	S316-E318 VanDerWaalsContact C-N 3.34Å; S316-E318 PolarHBondContact OG-N 3.16Å; S316-R319 PolarHBondContact O-NH1 3.45Å; S316-R319 PolarHBondContact O-NH2 3.08Å
317	L	97.2	Very high	96.7	Very high	48 Å²	48	31.5 Å²	31.5	25%	0.251	17%	0.173	S	C	.	.	S	Bend	trans	-81	-16.8	168.6	-64.4	179.8	0	0	0	112.7	L219 I220 N562 L563 K564	L219-L317 HydrophobicContact CG-CD2 4.42Å; I220-L317 HydrophobicContact CG1-CD2 3.94Å; L317-N562 HydrophobicContact CD2-CB 4.35Å; L317-L563 HydrophobicContact CD2-CD2 4.4Å; L317-L563 CarbonylContact O-C 3.4Å; L317-L563 WeakPolarHBondContact O-CA 3.38Å; L317-K564 PolarHBondContact O-N 3.27Å
318	E	97.5	Very high	96.7	Very high	57 Å²	57	28.8 Å²	28.8	27%	0.266	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.6	-178.2	-61.8	-62.4	138.4	0	0	111.2	S316 Y320 K564 Q566	S316-E318 VanDerWaalsContact C-N 3.34Å; S316-E318 PolarHBondContact OG-N 3.16Å; E318-Y320 HydrophobicContact CB-CE2 4.33Å; E318-K564 CarbonylContact C-O 3.52Å; E318-K564 VanDerWaalsContact OE1-CD 3.24Å; E318-K564 WeakPolarHBondContact OE1-CD 3.5Å; E318-Q566 PolarHBondContact OE2-NE2 2.8Å
319	R	97.6	Very high	96.7	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.1	174.8	-66.7	-63.4	175.9	-77.9	-2.4	110.3	S316 V525 L526 N528 P529 L563 K564 M565 Q566	S316-R319 PolarHBondContact O-NH1 3.45Å; S316-R319 PolarHBondContact O-NH2 3.08Å; R319-V525 WeakPolarHBondContact CD-O 3.23Å; R319-V525 HydrophobicContact CG-CG1 4.27Å; R319-V525 PolarHBondContact NE-O 2.73Å; R319-L526 PolarHBondContact NE-O 3.16Å; R319-L526 PolarHBondContact NH2-O 3.23Å; R319-N528 WeakPolarHBondContact CD-O 2.89Å; R319-P529 WeakPolarHBondContact CA-O 3.47Å; R319-L563 HydrophobicContact CG-CB 4.17Å; R319-L563 HydrophobicContact CG-CD1 3.99Å; R319-L563 HydrophobicContact CG-CD2 4.21Å; R319-L563 HydrophobicContact CG-CG 4.34Å; R319-L563 VanDerWaalsContact CZ-CD2 3.49Å; R319-K564 PolarHBondContact N-O 3.35Å; R319-M565 HydrophobicContact CB-CG 4.09Å; R319-M565 CarbonylContact O-C 3.48Å; R319-M565 VanDerWaalsContact O-CA 3.32Å; R319-M565 WeakPolarHBondContact O-CA 3.5Å; R319-Q566 PolarHBondContact O-N 2.91Å
320	Y	98.2	Very high	96.6	Very high	18 Å²	18	29.5 Å²	29.5	7%	0.071	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.8	175.2	-58.8	-86.8	0	0	0	109.9	E318 P529 I530 S531 Q566 L568 L573 K576	E318-Y320 HydrophobicContact CB-CE2 4.33Å; Y320-P529 WeakPolarHBondContact CD2-O 3.1Å; Y320-P529 PolarHBondContact N-O 2.97Å; Y320-I530 HydrophobicContact CD2-CG1 3.83Å; Y320-I530 HydrophobicContact CG-CG1 4.22Å; Y320-I530 WeakPolarHBondContact O-CA 3.31Å; Y320-S531 PolarHBondContact O-N 2.81Å; Y320-Q566 CarbonylContact C-O 3.46Å; Y320-Q566 VanDerWaalsContact CA-O 3.25Å; Y320-Q566 WeakPolarHBondContact CA-O 2.9Å; Y320-Q566 HydrophobicContact CD1-CG 3.54Å; Y320-Q566 HydrophobicContact CE1-CG 3.49Å; Y320-Q566 VanDerWaalsContact CE1-CG 3.49Å; Y320-Q566 HydrophobicContact CG-CG 4.41Å; Y320-Q566 PolarHBondContact OH-NE2 3.39Å; Y320-Q566 VanDerWaalsContact OH-NE2 3.11Å; Y320-L568 HydrophobicContact CD1-CB 4.5Å; Y320-L568 HydrophobicContact CD1-CD1 3.51Å; Y320-L568 HydrophobicContact CD1-CG 3.65Å; Y320-L568 HydrophobicContact CE1-CD1 3.33Å; Y320-L568 HydrophobicContact CE1-CG 3.72Å; Y320-L568 HydrophobicContact CG-CD1 4.49Å; Y320-L573 HydrophobicContact CD1-CD1 4.36Å; Y320-L573 HydrophobicContact CG-CD1 4.02Å; Y320-K576 HydrophobicContact CD2-CG 4.34Å; Y320-K576 HydrophobicContact CE2-CD 4.24Å; Y320-K576 HydrophobicContact CE2-CG 3.88Å; Y320-K576 WeakPolarHBondContact OH-CE 3.47Å; Y320-K576 PolarHBondContact OH-NZ 3.45Å
321	I	97.9	Very high	96.3	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.3	-179.8	-59.4	177.4	0	0	0	109.1	V323 V525 S531 F533 M565 Q566 T567	I321-V323 HydrophobicContact CG2-CG2 4.27Å; I321-V525 HydrophobicContact CD1-CG1 4.12Å; I321-V525 HydrophobicContact CD1-CG2 4.16Å; I321-S531 WeakPolarHBondContact CA-O 3.43Å; I321-F533 HydrophobicContact CG2-CD2 3.97Å; I321-F533 HydrophobicContact CG2-CE2 4.02Å; I321-M565 HydrophobicContact CD1-CG 4.06Å; I321-M565 HydrophobicContact CD1-SD 3.7Å; I321-Q566 PolarHBondContact N-O 2.72Å; I321-T567 WeakPolarHBondContact O-CB 3.39Å; I321-T567 WeakPolarHBondContact O-CG2 3.44Å; I321-T567 PolarHBondContact O-OG1 3.36Å
322	L	98.1	Very high	96.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.7	169.2	-178.2	65.6	0	0	0	108.2	D324 N362 W392 S531 I532 F533 T567 P570 L573	L322-D324 WeakPolarHBondContact CD2-OD1 3.31Å; L322-N362 HydrophobicContact CD1-CB 4.1Å; L322-W392 HydrophobicContact CD1-CE3 4.03Å; L322-W392 HydrophobicContact CD1-CZ3 3.84Å; L322-S531 PolarHBondContact N-O 2.92Å; L322-I532 HydrophobicContact CB-CG1 4.25Å; L322-I532 HydrophobicContact CB-CG2 4.36Å; L322-I532 HydrophobicContact CD2-CG1 4.32Å; L322-I532 HydrophobicContact CD2-CG2 4.09Å; L322-I532 HydrophobicContact CG-CG2 4.37Å; L322-I532 CarbonylContact O-C 3.5Å; L322-I532 WeakPolarHBondContact O-CA 3.28Å; L322-F533 PolarHBondContact O-N 3.36Å; L322-T567 HydrophobicContact CD1-CG2 4.28Å; L322-P570 HydrophobicContact CD2-CG 4.06Å; L322-L573 HydrophobicContact CB-CD2 4.18Å; L322-L573 HydrophobicContact CD2-CD2 4.25Å
323	V	98.6	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	109	176.4	-177.2	0	0	0	0	107.9	I321 F359 F361 N362 T535 Y540 F550	I321-V323 HydrophobicContact CG2-CG2 4.27Å; V323-F359 HydrophobicContact CB-CZ 4.41Å; V323-F359 HydrophobicContact CG2-CE2 4.02Å; V323-F359 HydrophobicContact CG2-CZ 4.06Å; V323-F361 HydrophobicContact CB-CD1 4.01Å; V323-F361 HydrophobicContact CB-CE1 4.15Å; V323-F361 HydrophobicContact CG1-CD1 3.96Å; V323-F361 HydrophobicContact CG1-CE1 3.94Å; V323-N362 PolarHBondContact O-N 3.34Å; V323-N362 VanDerWaalsContact O-N 3.13Å; V323-T535 HydrophobicContact CG1-CG2 4.39Å; V323-Y540 WeakPolarHBondContact CG1-OH 3.49Å; V323-F550 HydrophobicContact CB-CE2 4.4Å; V323-F550 HydrophobicContact CB-CZ 4.47Å; V323-F550 HydrophobicContact CG1-CD2 4.03Å; V323-F550 HydrophobicContact CG1-CE2 3.49Å; V323-F550 VanDerWaalsContact CG1-CE2 3.49Å; V323-F550 HydrophobicContact CG1-CZ 3.86Å; V323-F550 HydrophobicContact CG2-CD1 3.91Å; V323-F550 HydrophobicContact CG2-CD2 4.12Å; V323-F550 HydrophobicContact CG2-CE1 3.73Å; V323-F550 HydrophobicContact CG2-CE2 3.94Å; V323-F550 HydrophobicContact CG2-CG 4.12Å; V323-F550 HydrophobicContact CG2-CZ 3.76Å
324	D	98.5	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121	177.5	-75.5	-8.1	0	0	0	108.7	L322 N362 F394 Y434 R490 I532 F533 T535	L322-D324 WeakPolarHBondContact CD2-OD1 3.31Å; D324-N362 CarbonylContact C-O 3.44Å; D324-N362 WeakPolarHBondContact CA-O 3.31Å; D324-N362 WeakPolarHBondContact OD1-CB 3.48Å; D324-N362 PolarHBondContact OD1-ND2 3.41Å; D324-F394 HydrophobicContact CB-CE1 4.08Å; D324-F394 HydrophobicContact CB-CZ 4.09Å; D324-Y434 WeakPolarHBondContact OD2-CE1 3.43Å; D324-Y434 PolarHBondContact OD2-OH 3.14Å; D324-R490 PolarHBondContact O-NH2 3.22Å; D324-R490 IonicContact OD2-CZ 3.38Å; D324-R490 IonicContact OD2-NE 3.59Å; D324-R490 IonicContact OD2-NH1 2.89Å; D324-R490 IonicContact OD2-NH2 3.88Å; D324-I532 WeakPolarHBondContact OD2-CG2 3.45Å; D324-F533 PolarHBondContact N-O 2.56Å; D324-T535 PolarHBondContact O-N 2.9Å; D324-T535 PolarHBondContact O-OG1 3.28Å; D324-T535 VanDerWaalsContact O-OG1 3.08Å
325	I	98.4	Very high	95.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	96.8	174	-49.7	-179	0	0	0	107.5	I328 L345 F361 N362 L363 G364 Y540	I325-I328 HydrophobicContact CB-CD1 4.38Å; I325-I328 HydrophobicContact CG2-CD1 3.74Å; I325-L345 HydrophobicContact CD1-CD1 4.05Å; I325-L345 HydrophobicContact CD1-CD2 4.49Å; I325-F361 HydrophobicContact CD1-CB 4.02Å; I325-F361 HydrophobicContact CD1-CD1 3.82Å; I325-F361 HydrophobicContact CD1-CG 4.02Å; I325-F361 HydrophobicContact CG1-CD1 4.23Å; I325-N362 PolarHBondContact N-O 3Å; I325-L363 HydrophobicContact CD1-CD1 4.18Å; I325-G364 PolarHBondContact O-N 3.23Å; I325-Y540 HydrophobicContact CB-CE2 4.18Å; I325-Y540 HydrophobicContact CD1-CD1 4.25Å; I325-Y540 HydrophobicContact CD1-CD2 3.92Å; I325-Y540 HydrophobicContact CD1-CE1 3.88Å; I325-Y540 HydrophobicContact CD1-CE2 3.55Å; I325-Y540 HydrophobicContact CD1-CG 4.26Å; I325-Y540 HydrophobicContact CG1-CD2 4.26Å; I325-Y540 HydrophobicContact CG1-CE2 3.53Å; I325-Y540 HydrophobicContact CG2-CD2 3.8Å; I325-Y540 HydrophobicContact CG2-CE2 3.71Å
326	D	98.1	Very high	95.9	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	170.7	174.9	-66.5	-1.4	0	0	0	110.1	I328 F394 H396 R490 T535 H536 L537	D326-I328 VanDerWaalsContact C-N 3.32Å; D326-I328 PolarHBondContact O-N 3.43Å; D326-F394 WeakPolarHBondContact OD1-CZ 3.44Å; D326-H396 IonicContact OD2-CE1 3.6Å; D326-R490 IonicContact OD1-CZ 3.88Å; D326-R490 IonicContact OD1-NH1 3.73Å; D326-R490 PolarHBondContact OD1-NH1 3.05Å; D326-R490 IonicContact OD1-NH2 3.2Å; D326-R490 PolarHBondContact OD1-NH2 3.41Å; D326-R490 IonicContact OD2-CZ 3.61Å; D326-R490 IonicContact OD2-NH1 3.01Å; D326-R490 PolarHBondContact OD2-NH1 3.37Å; D326-R490 IonicContact OD2-NH2 2.73Å; D326-R490 PolarHBondContact OD2-NH2 2.91Å; D326-T535 PolarHBondContact N-O 3.44Å; D326-H536 CarbonylContact O-C 3.41Å; D326-H536 WeakPolarHBondContact O-CA 3.43Å; D326-L537 PolarHBondContact O-N 2.98Å
327	D	97.4	Very high	96	Very high	24 Å²	24	28.3 Å²	28.3	13%	0.128	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64	26.1	171.1	-64.6	-5.8	0	0	0	116.5	F329 V330 G364 H396 H400 H536 L537	D327-F329 PolarHBondContact O-N 2.94Å; D327-V330 HydrophobicContact CB-CB 3.95Å; D327-V330 HydrophobicContact CB-CG2 4.29Å; D327-V330 PolarHBondContact O-N 3.26Å; D327-G364 PolarHBondContact N-O 2.9Å; D327-H396 IonicContact OD1-CD2 3.9Å; D327-H396 PolarHBondContact OD1-CD2 2.82Å; D327-H396 IonicContact OD1-NE2 3.83Å; D327-H400 IonicContact OD1-CD2 3.98Å; D327-H400 PolarHBondContact OD1-CD2 3.48Å; D327-H400 IonicContact OD1-CE1 2.6Å; D327-H400 IonicContact OD1-NE2 2.71Å; D327-H400 PolarHBondContact OD1-NE2 3.4Å; D327-H536 IonicContact OD2-CD2 3.36Å; D327-H536 PolarHBondContact OD2-CD2 3.29Å; D327-L537 WeakPolarHBondContact O-CB 3.39Å
328	I	98.3	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	125.1	169.4	-56.8	-64.9	0	0	0	109.1	I325 D326 V330 M337 L363 G364 F365 S366 W393 L537	I325-I328 HydrophobicContact CB-CD1 4.38Å; I325-I328 HydrophobicContact CG2-CD1 3.74Å; D326-I328 VanDerWaalsContact C-N 3.32Å; D326-I328 PolarHBondContact O-N 3.43Å; I328-V330 VanDerWaalsContact C-N 3.32Å; I328-V330 PolarHBondContact O-N 2.93Å; I328-M337 HydrophobicContact CD1-CE 4Å; I328-L363 HydrophobicContact CD1-CB 4.45Å; I328-L363 HydrophobicContact CD1-CD2 4.28Å; I328-L363 HydrophobicContact CD1-CG 3.96Å; I328-L363 HydrophobicContact CG1-CB 3.89Å; I328-L363 HydrophobicContact CG1-CD2 4.44Å; I328-L363 HydrophobicContact CG1-CG 3.97Å; I328-G364 WeakPolarHBondContact CB-O 3.29Å; I328-G364 PolarHBondContact N-O 3.45Å; I328-F365 HydrophobicContact CB-CB 4.09Å; I328-F365 HydrophobicContact CG2-CB 4.31Å; I328-S366 PolarHBondContact O-N 3.38Å; I328-S366 VanDerWaalsContact O-N 3.13Å; I328-W393 HydrophobicContact CG2-CZ3 4.16Å; I328-L537 HydrophobicContact CD1-CB 4.21Å; I328-L537 HydrophobicContact CD1-CD1 4.05Å
329	F	97.6	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	-7.6	-169.7	-45.4	-51	0	0	0	117.4	D327 R336 F365 F369 F370 D381 L385 F422	D327-F329 PolarHBondContact O-N 2.94Å; F329-R336 VanDerWaalsContact O-CZ 3.25Å; F329-R336 PolarHBondContact O-NH1 3.38Å; F329-R336 PolarHBondContact O-NH2 3.25Å; F329-F365 HydrophobicContact CD2-CB 4.27Å; F329-F365 HydrophobicContact CE2-CB 4.26Å; F329-F369 HydrophobicContact CB-CB 4.37Å; F329-F369 CarbonylContact O-C 3.6Å; F329-F369 WeakPolarHBondContact O-CB 3.39Å; F329-F370 AromaticContact CD1-CD2 3.86Å; F329-F370 HydrophobicContact CD1-CD2 3.86Å; F329-F370 HydrophobicContact CD2-CB 4.49Å; F329-F370 HydrophobicContact CD2-CD2 4.44Å; F329-F370 AromaticContact CE1-CD2 3.67Å; F329-F370 HydrophobicContact CE1-CD2 3.67Å; F329-F370 HydrophobicContact CE1-CE2 4.1Å; F329-F370 HydrophobicContact CE2-CD2 4.27Å; F329-F370 HydrophobicContact CG-CB 4.38Å; F329-F370 HydrophobicContact CG-CD2 4.25Å; F329-F370 AromaticContact CZ-CD2 3.89Å; F329-F370 HydrophobicContact CZ-CD2 3.89Å; F329-F370 HydrophobicContact CZ-CE2 4.31Å; F329-D381 HydrophobicContact CD1-CB 4.05Å; F329-D381 VanDerWaalsContact CD1-CG 3.45Å; F329-D381 WeakPolarHBondContact CD1-OD1 3.41Å; F329-D381 HydrophobicContact CE1-CB 3.79Å; F329-L385 HydrophobicContact CZ-CD1 4.35Å; F329-L385 HydrophobicContact CZ-CD2 3.9Å; F329-L385 HydrophobicContact CZ-CG 4.05Å; F329-F422 HydrophobicContact CD2-CE1 4.35Å; F329-F422 HydrophobicContact CD2-CZ 4.37Å; F329-F422 AromaticContact CE2-CE1 3.89Å; F329-F422 HydrophobicContact CE2-CE1 3.89Å; F329-F422 HydrophobicContact CE2-CZ 4Å
330	V	95.3	Very high	96.2	Very high	30 Å²	30	31.8 Å²	31.8	18%	0.182	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-29	-172.7	-178	0	0	0	0	113.3	D327 I328 F369 H400	D327-V330 HydrophobicContact CB-CB 3.95Å; D327-V330 HydrophobicContact CB-CG2 4.29Å; D327-V330 PolarHBondContact O-N 3.26Å; I328-V330 VanDerWaalsContact C-N 3.32Å; I328-V330 PolarHBondContact O-N 2.93Å; V330-F369 HydrophobicContact CB-CD2 4.4Å; V330-F369 HydrophobicContact CG1-CD2 4.42Å; V330-F369 HydrophobicContact CG1-CE2 4.37Å; V330-F369 HydrophobicContact CG2-CD2 3.91Å; V330-F369 HydrophobicContact CG2-CE2 4.28Å; V330-H400 HydrophobicContact CG1-CB 4.24Å; V330-H400 HydrophobicContact CG2-CB 4.14Å
331	G	87.4	Confident	96.2	Very high	15 Å²	15	31.4 Å²	31.4	16%	0.155	17%	0.173	C	C	.	.	S	Bend	trans	-50.7	143.3	-171.3	0	0	0	0	0	114.2	R336	G331-R336 WeakPolarHBondContact O-CG 3.41Å; G331-R336 PolarHBondContact O-NH1 3.15Å
332	K	91.2	Very high	96.2	Very high	174 Å²	174	31.1 Å²	31.1	76%	0.757	17%	0.172	S	C	*	.			trans	-67	151.1	174.4	-62.2	-176.7	-179.2	-178.5	0	110.5	G334 T335	K332-G334 PolarHBondContact O-N 2.98Å; K332-T335 PolarHBondContact N-OG1 3.04Å; K332-T335 PolarHBondContact O-N 3.49Å; K332-T335 PolarHBondContact O-OG1 3.32Å
333	E	92.6	Very high	96.2	Very high	140 Å²	140	37.1 Å²	37.1	65%	0.654	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.7	134.7	171.4	-169.6	-174.9	162	0	0	111.2	T335	E333-T335 VanDerWaalsContact C-N 3.32Å
334	G	92	Very high	96.2	Very high	42 Å²	42	37.5 Å²	37.5	43%	0.433	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-9.1	-175.7	0	0	0	0	0	114.8	K332 E377 N542	K332-G334 PolarHBondContact O-N 2.98Å; G334-E377 VanDerWaalsContact CA-OE1 3.31Å; G334-E377 WeakPolarHBondContact CA-OE1 3.21Å; G334-E377 PolarHBondContact N-OE1 3.5Å; G334-E377 PolarHBondContact N-OE2 3.39Å; G334-N542 PolarHBondContact O-ND2 3.05Å
335	T	92.6	Very high	96.2	Very high	34 Å²	34	37.5 Å²	37.5	21%	0.209	20%	0.201	C	C	.	.	S	Bend	trans	-114.6	1.3	177.6	70.4	0	0	0	0	113.2	K332 E333 E377 I500 S538	K332-T335 PolarHBondContact N-OG1 3.04Å; K332-T335 PolarHBondContact O-N 3.49Å; K332-T335 PolarHBondContact O-OG1 3.32Å; E333-T335 VanDerWaalsContact C-N 3.32Å; T335-E377 PolarHBondContact N-OE1 2.71Å; T335-I500 HydrophobicContact CG2-CD1 3.87Å; T335-S538 WeakPolarHBondContact O-CA 3.31Å
336	R	95.2	Very high	96.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.008	21%	0.206	C	C	.	.	S	Bend	trans	-87.2	164.3	-175.7	-47.7	169.6	72.2	96.3	-10	111.7	F329 G331 F369 E377 D381 L537	F329-R336 VanDerWaalsContact O-CZ 3.25Å; F329-R336 PolarHBondContact O-NH1 3.38Å; F329-R336 PolarHBondContact O-NH2 3.25Å; G331-R336 WeakPolarHBondContact O-CG 3.41Å; G331-R336 PolarHBondContact O-NH1 3.15Å; R336-F369 PolarHBondContact NH2-O 3.33Å; R336-E377 HydrophobicContact CB-CB 3.94Å; R336-E377 HydrophobicContact CB-CG 3.81Å; R336-E377 WeakPolarHBondContact CB-OE1 3.39Å; R336-E377 PolarHBondContact N-OE1 2.59Å; R336-D381 IonicContact CZ-OD2 3.22Å; R336-D381 IonicContact NE-OD2 3.95Å; R336-D381 IonicContact NH2-OD1 3.23Å; R336-D381 IonicContact NH2-OD2 2.76Å; R336-D381 PolarHBondContact NH2-OD2 3.4Å; R336-L537 HydrophobicContact CB-CD2 4.09Å; R336-L537 HydrophobicContact CG-CD2 4.32Å
337	M	97.2	Very high	96.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-74.7	132.1	176.1	-74.5	-175.3	-81	0	0	110.1	I328 D341 V342 L345 L384 L537	I328-M337 HydrophobicContact CD1-CE 4Å; M337-D341 HydrophobicContact CB-CB 4.01Å; M337-D341 HydrophobicContact CG-CB 4.11Å; M337-V342 HydrophobicContact CB-CG2 4.04Å; M337-V342 HydrophobicContact SD-CG2 4.45Å; M337-L345 HydrophobicContact SD-CD2 4.22Å; M337-L384 HydrophobicContact CE-CD1 3.64Å; M337-L384 HydrophobicContact CE-CD2 4.31Å; M337-L537 HydrophobicContact CE-CD1 3.96Å; M337-L537 HydrophobicContact CE-CG 3.91Å
338	K	98.1	Very high	96.3	Very high	65 Å²	65	42.7 Å²	42.7	28%	0.283	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-93.2	171.2	169.4	-58.8	-178.9	-178	-161.4	0	110.3	P340 D341 V342 E376 E377	K338-P340 VanDerWaalsContact C-CD 3.47Å; K338-P340 VanDerWaalsContact C-N 3.32Å; K338-D341 PolarHBondContact N-OD2 3.33Å; K338-D341 WeakPolarHBondContact O-CA 3.33Å; K338-D341 WeakPolarHBondContact O-CB 3.47Å; K338-D341 PolarHBondContact O-N 3.19Å; K338-V342 PolarHBondContact O-N 3.36Å; K338-V342 VanDerWaalsContact O-N 3.13Å; K338-E376 HydrophobicContact CD-CB 4.37Å; K338-E376 WeakPolarHBondContact CE-OE2 3.19Å; K338-E376 IonicContact NZ-OE2 2.7Å; K338-E376 PolarHBondContact NZ-OE2 2.69Å; K338-E377 HydrophobicContact CG-CG 4.22Å
339	V	98.5	Very high	96.3	Very high	42 Å²	42	42.9 Å²	42.9	26%	0.255	23%	0.226	S	C	.	.	H	α-helix	trans	-46.2	-46.2	174.5	165	0	0	0	0	113.8	D341 K343 L379 L383	V339-D341 VanDerWaalsContact C-N 3.27Å; V339-D341 PolarHBondContact O-N 2.86Å; V339-K343 HydrophobicContact CG1-CD 4.27Å; V339-K343 WeakPolarHBondContact O-CG 3.3Å; V339-K343 PolarHBondContact O-N 3.25Å; V339-K343 VanDerWaalsContact O-N 3.15Å; V339-L379 HydrophobicContact CG2-CB 3.89Å; V339-L383 HydrophobicContact CB-CD2 4.31Å; V339-L383 HydrophobicContact CG1-CD2 3.9Å; V339-L383 HydrophobicContact CG2-CD2 4.32Å
340	P	98.6	Very high	96.3	Very high	72 Å²	72	50.1 Å²	50.1	47%	0.468	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-31.7	177.1	-24.7	36.8	0	0	0	114	K338 A344 R544	K338-P340 VanDerWaalsContact C-CD 3.47Å; K338-P340 VanDerWaalsContact C-N 3.32Å; P340-A344 WeakPolarHBondContact O-CB 3.34Å; P340-A344 PolarHBondContact O-N 2.92Å; P340-R544 VanDerWaalsContact C-NH2 3.27Å; P340-R544 PolarHBondContact O-NH2 3.11Å
341	D	98.4	Very high	96.4	Very high	9 Å²	9	52 Å²	52	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-73.9	-43.3	-177.7	-57.7	-33.5	0	0	0	111	M337 K338 V339 K343 A344 L345 Y540 R544	M337-D341 HydrophobicContact CB-CB 4.01Å; M337-D341 HydrophobicContact CG-CB 4.11Å; K338-D341 PolarHBondContact N-OD2 3.33Å; K338-D341 WeakPolarHBondContact O-CA 3.33Å; K338-D341 WeakPolarHBondContact O-CB 3.47Å; K338-D341 PolarHBondContact O-N 3.19Å; V339-D341 VanDerWaalsContact C-N 3.27Å; V339-D341 PolarHBondContact O-N 2.86Å; D341-K343 VanDerWaalsContact C-N 3.32Å; D341-K343 PolarHBondContact O-N 3.43Å; D341-A344 WeakPolarHBondContact O-CB 3.12Å; D341-A344 PolarHBondContact O-N 2.88Å; D341-A344 VanDerWaalsContact O-N 3.15Å; D341-L345 PolarHBondContact O-N 3.1Å; D341-Y540 WeakPolarHBondContact CB-O 3.28Å; D341-R544 IonicContact OD1-CZ 2.86Å; D341-R544 VanDerWaalsContact OD1-CZ 3.23Å; D341-R544 IonicContact OD1-NE 3.03Å; D341-R544 PolarHBondContact OD1-NE 3.48Å; D341-R544 IonicContact OD1-NH2 2.9Å; D341-R544 PolarHBondContact OD1-NH2 2.91Å
342	V	98.5	Very high	97	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-39.8	175	178.4	0	0	0	0	111.2	M337 K338 L345 L346 L383 L384	M337-V342 HydrophobicContact CB-CG2 4.04Å; M337-V342 HydrophobicContact SD-CG2 4.45Å; K338-V342 PolarHBondContact O-N 3.36Å; K338-V342 VanDerWaalsContact O-N 3.13Å; V342-L345 WeakPolarHBondContact O-CB 3.16Å; V342-L345 PolarHBondContact O-N 3.12Å; V342-L346 PolarHBondContact O-N 2.64Å; V342-L346 VanDerWaalsContact O-N 3.09Å; V342-L383 HydrophobicContact CB-CD2 4.05Å; V342-L383 HydrophobicContact CB-CG 4.48Å; V342-L383 HydrophobicContact CG1-CB 4.28Å; V342-L383 HydrophobicContact CG1-CD2 3.99Å; V342-L383 HydrophobicContact CG1-CG 3.96Å; V342-L384 HydrophobicContact CB-CD2 4.44Å; V342-L384 HydrophobicContact CB-CG 4.45Å; V342-L384 HydrophobicContact CG1-CD2 3.74Å; V342-L384 HydrophobicContact CG1-CG 3.92Å; V342-L384 HydrophobicContact CG2-CD1 4.14Å; V342-L384 HydrophobicContact CG2-CD2 3.98Å; V342-L384 HydrophobicContact CG2-CG 3.66Å
343	K	98.6	Very high	97.3	Very high	126 Å²	126	47.5 Å²	47.5	55%	0.548	24%	0.235	S	C	.	.	H	α-helix	trans	-61.4	-43.7	172.9	-73.3	177.1	179.1	177.3	0	111.8	V339 D341 L345 L346 E347 L383	V339-K343 HydrophobicContact CG1-CD 4.27Å; V339-K343 WeakPolarHBondContact O-CG 3.3Å; V339-K343 PolarHBondContact O-N 3.25Å; V339-K343 VanDerWaalsContact O-N 3.15Å; D341-K343 VanDerWaalsContact C-N 3.32Å; D341-K343 PolarHBondContact O-N 3.43Å; K343-L345 VanDerWaalsContact C-N 3.34Å; K343-L346 PolarHBondContact O-N 3.14Å; K343-E347 WeakPolarHBondContact O-CB 3.27Å; K343-E347 PolarHBondContact O-N 3.28Å; K343-L383 HydrophobicContact CG-CD2 4.12Å
344	A	98.6	Very high	97.5	Very high	9 Å²	9	45.5 Å²	45.5	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-35.1	177.2	0	0	0	0	0	112.6	P340 D341 E347 T348 L547	P340-A344 WeakPolarHBondContact O-CB 3.34Å; P340-A344 PolarHBondContact O-N 2.92Å; D341-A344 WeakPolarHBondContact O-CB 3.12Å; D341-A344 PolarHBondContact O-N 2.88Å; D341-A344 VanDerWaalsContact O-N 3.15Å; A344-E347 PolarHBondContact O-N 3.24Å; A344-T348 VanDerWaalsContact O-CB 3.29Å; A344-T348 WeakPolarHBondContact O-CB 3.43Å; A344-T348 PolarHBondContact O-N 3.31Å; A344-T348 PolarHBondContact O-OG1 3.15Å; A344-L547 HydrophobicContact CB-CD1 3.83Å
345	L	98.5	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-48.2	173.5	-177.6	67.6	0	0	0	111	I325 M337 D341 V342 K343 Q349 F361 L384 F391 Y540 L547	I325-L345 HydrophobicContact CD1-CD1 4.05Å; I325-L345 HydrophobicContact CD1-CD2 4.49Å; M337-L345 HydrophobicContact SD-CD2 4.22Å; D341-L345 PolarHBondContact O-N 3.1Å; V342-L345 WeakPolarHBondContact O-CB 3.16Å; V342-L345 PolarHBondContact O-N 3.12Å; K343-L345 VanDerWaalsContact C-N 3.34Å; L345-Q349 WeakPolarHBondContact O-CB 3.39Å; L345-Q349 PolarHBondContact O-N 3.34Å; L345-F361 HydrophobicContact CD1-CD1 4.45Å; L345-F361 HydrophobicContact CD1-CD2 3.48Å; L345-F361 VanDerWaalsContact CD1-CD2 3.48Å; L345-F361 HydrophobicContact CD1-CE1 4.41Å; L345-F361 HydrophobicContact CD1-CE2 3.42Å; L345-F361 VanDerWaalsContact CD1-CE2 3.42Å; L345-F361 HydrophobicContact CD1-CG 4.02Å; L345-F361 HydrophobicContact CD1-CZ 3.92Å; L345-F361 HydrophobicContact CG-CD2 4.1Å; L345-F361 HydrophobicContact CG-CE2 4.29Å; L345-L384 HydrophobicContact CD2-CD2 4.25Å; L345-F391 HydrophobicContact CD2-CE1 3.87Å; L345-F391 HydrophobicContact CD2-CZ 3.79Å; L345-F391 HydrophobicContact CG-CE1 4.06Å; L345-F391 HydrophobicContact CG-CZ 4.17Å; L345-Y540 HydrophobicContact CD1-CD1 3.66Å; L345-Y540 HydrophobicContact CD1-CE1 3.92Å; L345-Y540 HydrophobicContact CD1-CG 4.45Å; L345-L547 HydrophobicContact CD1-CD2 3.72Å
346	L	98.6	Very high	97.9	Very high	21 Å²	21	44.9 Å²	44.9	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-39	177.3	-71.9	166.5	0	0	0	113	V342 K343 R350 H387 D390 F391	V342-L346 PolarHBondContact O-N 2.64Å; V342-L346 VanDerWaalsContact O-N 3.09Å; K343-L346 PolarHBondContact O-N 3.14Å; L346-R350 WeakPolarHBondContact O-CG 3.49Å; L346-R350 PolarHBondContact O-N 2.85Å; L346-R350 PolarHBondContact O-NE 3.09Å; L346-H387 HydrophobicContact CD1-CB 4.4Å; L346-H387 HydrophobicContact CD2-CB 4.41Å; L346-D390 HydrophobicContact CD2-CB 3.95Å; L346-F391 HydrophobicContact CD2-CE1 4.24Å; L346-F391 HydrophobicContact CD2-CE2 3.82Å; L346-F391 HydrophobicContact CD2-CZ 3.47Å; L346-F391 VanDerWaalsContact CD2-CZ 3.47Å; L346-F391 HydrophobicContact CG-CE2 4.47Å; L346-F391 HydrophobicContact CG-CZ 3.97Å
347	E	98.4	Very high	98	Very high	103 Å²	103	48 Å²	48	48%	0.481	24%	0.236	S	C	.	.	H	α-helix	trans	-64.7	-51.7	174.7	-176.8	171	-156.3	0	0	111.7	K343 A344 Q349 R350 E351	K343-E347 WeakPolarHBondContact O-CB 3.27Å; K343-E347 PolarHBondContact O-N 3.28Å; A344-E347 PolarHBondContact O-N 3.24Å; E347-Q349 VanDerWaalsContact C-N 3.28Å; E347-Q349 PolarHBondContact O-N 2.91Å; E347-R350 WeakPolarHBondContact O-CA 3.28Å; E347-R350 WeakPolarHBondContact O-CB 3.34Å; E347-R350 PolarHBondContact O-N 3.39Å; E347-E351 PolarHBondContact O-N 3.03Å
348	T	98.4	Very high	98	Very high	13 Å²	13	53 Å²	53	8%	0.08	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-38.8	178.9	-55.5	0	0	0	0	111.3	A344 R350 E351 L352 L547	A344-T348 VanDerWaalsContact O-CB 3.29Å; A344-T348 WeakPolarHBondContact O-CB 3.43Å; A344-T348 PolarHBondContact O-N 3.31Å; A344-T348 PolarHBondContact O-OG1 3.15Å; T348-R350 VanDerWaalsContact C-N 3.33Å; T348-R350 PolarHBondContact O-N 3.47Å; T348-E351 PolarHBondContact O-N 3.11Å; T348-L352 HydrophobicContact CG2-CD1 3.95Å; T348-L352 HydrophobicContact CG2-CG 4.18Å; T348-L352 WeakPolarHBondContact O-CB 3.25Å; T348-L352 VanDerWaalsContact O-CG 3.29Å; T348-L352 WeakPolarHBondContact O-CG 3.14Å; T348-L352 PolarHBondContact O-N 3.47Å; T348-L547 HydrophobicContact CG2-CB 4.31Å; T348-L547 HydrophobicContact CG2-CD2 4.02Å
349	Q	98.3	Very high	98	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.014	25%	0.25	C	S	.	.	H	α-helix	trans	-58.1	-44.4	173.4	179.7	168.5	-93	0	0	111.7	L345 E347 L352 R353 F359 T360 F361 D390	L345-Q349 WeakPolarHBondContact O-CB 3.39Å; L345-Q349 PolarHBondContact O-N 3.34Å; E347-Q349 VanDerWaalsContact C-N 3.28Å; E347-Q349 PolarHBondContact O-N 2.91Å; Q349-L352 PolarHBondContact O-N 3Å; Q349-R353 WeakPolarHBondContact O-CG 3.32Å; Q349-R353 PolarHBondContact O-N 2.98Å; Q349-R353 VanDerWaalsContact O-N 3.09Å; Q349-F359 HydrophobicContact CG-CD1 4.19Å; Q349-T360 VanDerWaalsContact OE1-CA 3.32Å; Q349-F361 HydrophobicContact CB-CD2 3.97Å; Q349-F361 HydrophobicContact CB-CE2 3.98Å; Q349-F361 HydrophobicContact CG-CD2 4.35Å; Q349-D390 PolarHBondContact NE2-O 2.86Å
350	R	98	Very high	98	Very high	152 Å²	152	48.7 Å²	48.7	57%	0.574	24%	0.241	S	C	*	.	H	α-helix	trans	-65.5	-41.4	177	-73.2	178.1	-72.1	147.6	-2.9	112	L346 E347 T348 R353	L346-R350 WeakPolarHBondContact O-CG 3.49Å; L346-R350 PolarHBondContact O-N 2.85Å; L346-R350 PolarHBondContact O-NE 3.09Å; E347-R350 WeakPolarHBondContact O-CA 3.28Å; E347-R350 WeakPolarHBondContact O-CB 3.34Å; E347-R350 PolarHBondContact O-N 3.39Å; T348-R350 VanDerWaalsContact C-N 3.33Å; T348-R350 PolarHBondContact O-N 3.47Å; R350-R353 PolarHBondContact O-N 2.85Å
351	E	97.7	Very high	98	Very high	70 Å²	70	45.2 Å²	45.2	33%	0.327	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-48.7	174.8	-68.3	-177.2	165.6	0	0	111.5	E347 T348 R353 T354 K551	E347-E351 PolarHBondContact O-N 3.03Å; T348-E351 PolarHBondContact O-N 3.11Å; E351-R353 VanDerWaalsContact C-N 3.26Å; E351-R353 PolarHBondContact O-N 3.39Å; E351-T354 WeakPolarHBondContact O-CB 3.46Å; E351-T354 WeakPolarHBondContact O-CG2 3.42Å; E351-T354 PolarHBondContact O-N 3.29Å; E351-T354 PolarHBondContact O-OG1 3.02Å; E351-K551 IonicContact OE1-NZ 3.39Å; E351-K551 PolarHBondContact OE1-NZ 2.8Å; E351-K551 VanDerWaalsContact OE2-CE 3.24Å; E351-K551 WeakPolarHBondContact OE2-CE 3.24Å; E351-K551 IonicContact OE2-NZ 2.67Å; E351-K551 PolarHBondContact OE2-NZ 3.15Å
352	L	98.2	Very high	98	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-34	-179.8	-74	175.9	0	0	0	112.1	T348 Q349 T354 H355 V356 F359 F361 V554	T348-L352 HydrophobicContact CG2-CD1 3.95Å; T348-L352 HydrophobicContact CG2-CG 4.18Å; T348-L352 WeakPolarHBondContact O-CB 3.25Å; T348-L352 VanDerWaalsContact O-CG 3.29Å; T348-L352 WeakPolarHBondContact O-CG 3.14Å; T348-L352 PolarHBondContact O-N 3.47Å; Q349-L352 PolarHBondContact O-N 3Å; L352-T354 PolarHBondContact O-N 3.14Å; L352-T354 VanDerWaalsContact O-N 3.11Å; L352-H355 PolarHBondContact O-N 3.17Å; L352-V356 PolarHBondContact O-N 3.35Å; L352-F359 HydrophobicContact CB-CB 4.34Å; L352-F359 HydrophobicContact CB-CD1 3.69Å; L352-F359 HydrophobicContact CB-CE1 4.13Å; L352-F359 HydrophobicContact CB-CG 3.91Å; L352-F359 HydrophobicContact CD1-CD1 3.9Å; L352-F359 HydrophobicContact CD1-CE1 3.42Å; L352-F359 VanDerWaalsContact CD1-CE1 3.42Å; L352-F359 HydrophobicContact CD1-CE2 4.15Å; L352-F359 HydrophobicContact CD1-CG 4.46Å; L352-F359 HydrophobicContact CD1-CZ 3.56Å; L352-F359 HydrophobicContact CG-CD1 4.46Å; L352-F359 HydrophobicContact CG-CE1 4.43Å; L352-F361 HydrophobicContact CD1-CZ 4.36Å; L352-V554 HydrophobicContact CD2-CB 4.05Å; L352-V554 HydrophobicContact CD2-CG1 4.21Å; L352-V554 HydrophobicContact CD2-CG2 3.95Å
353	R	97.7	Very high	98	Very high	90 Å²	90	44.9 Å²	44.9	34%	0.34	22%	0.217	S	C	.	.	H	α-helix	trans	-57.4	-24	173.9	-77.4	172.8	-178.9	166.4	2.4	113.7	Q349 R350 E351 H355 V356 F359 T360	Q349-R353 WeakPolarHBondContact O-CG 3.32Å; Q349-R353 PolarHBondContact O-N 2.98Å; Q349-R353 VanDerWaalsContact O-N 3.09Å; R350-R353 PolarHBondContact O-N 2.85Å; E351-R353 VanDerWaalsContact C-N 3.26Å; E351-R353 PolarHBondContact O-N 3.39Å; R353-H355 VanDerWaalsContact C-N 3.25Å; R353-H355 PolarHBondContact O-N 3.08Å; R353-V356 WeakPolarHBondContact CA-O 3.11Å; R353-F359 HydrophobicContact CG-CB 4.05Å; R353-F359 VanDerWaalsContact CG-O 3.32Å; R353-F359 WeakPolarHBondContact CG-O 3.42Å; R353-F359 PolarHBondContact NE-O 3.32Å; R353-F359 PolarHBondContact NH2-O 3.3Å; R353-T360 PolarHBondContact NH2-OG1 3.14Å
354	T	96.6	Very high	98	Very high	97 Å²	97	38.9 Å²	38.9	60%	0.595	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-17	176.2	73.1	0	0	0	0	113.4	E351 L352	E351-T354 WeakPolarHBondContact O-CB 3.46Å; E351-T354 WeakPolarHBondContact O-CG2 3.42Å; E351-T354 PolarHBondContact O-N 3.29Å; E351-T354 PolarHBondContact O-OG1 3.02Å; L352-T354 PolarHBondContact O-N 3.14Å; L352-T354 VanDerWaalsContact O-N 3.11Å
355	H	96.3	Very high	98	Very high	62 Å²	62	38.5 Å²	38.5	29%	0.287	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-21.5	-177.8	-62.5	-16.4	0	0	0	113	L352 R353 V554 K558	L352-H355 PolarHBondContact O-N 3.17Å; R353-H355 VanDerWaalsContact C-N 3.25Å; R353-H355 PolarHBondContact O-N 3.08Å; H355-V554 HydrophobicContact CB-CG1 3.64Å; H355-K558 PolarHBondContact CE1-NZ 3.22Å; H355-K558 PolarHBondContact ND1-NZ 3.16Å; H355-K558 PolarHBondContact NE2-NZ 3.14Å
356	V	98.3	Very high	98	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	19%	0.188	C	C	.	.	S	Bend	trans	-129.7	93.3	178.4	-173.1	0	0	0	0	107.2	L352 R353 N358 F359 V554 M565	L352-V356 PolarHBondContact O-N 3.35Å; R353-V356 WeakPolarHBondContact CA-O 3.11Å; V356-N358 PolarHBondContact O-N 3.47Å; V356-F359 HydrophobicContact CB-CB 4.07Å; V356-F359 HydrophobicContact CB-CD2 4.3Å; V356-F359 HydrophobicContact CG1-CB 4.15Å; V356-F359 HydrophobicContact CG1-CD2 4.03Å; V356-F359 VanDerWaalsContact O-CB 3.24Å; V356-F359 WeakPolarHBondContact O-CB 3.38Å; V356-F359 PolarHBondContact O-N 3.11Å; V356-F359 VanDerWaalsContact O-N 3.12Å; V356-V554 HydrophobicContact CG2-CG1 4.01Å; V356-V554 HydrophobicContact CG2-CG2 3.87Å; V356-M565 HydrophobicContact CB-CB 4.45Å; V356-M565 HydrophobicContact CG1-CB 4.21Å; V356-M565 HydrophobicContact CG2-CB 3.82Å; V356-M565 HydrophobicContact CG2-CE 4.39Å; V356-M565 HydrophobicContact CG2-SD 4.47Å
357	P	97.6	Very high	97.9	Very high	67 Å²	67	37.7 Å²	37.7	44%	0.435	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	140.3	-177.8	-27.8	37.4	0	0	0	112.1	F359 M565 T567	P357-F359 PolarHBondContact O-N 2.86Å; P357-M565 WeakPolarHBondContact CD-O 3.32Å; P357-T567 PolarHBondContact O-N 3.37Å
358	N	95.9	Very high	97.9	Very high	107 Å²	107	37.9 Å²	37.9	57%	0.572	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	13.7	-177.5	-52.7	-40.2	0	0	0	115.6	V356 T360	V356-N358 PolarHBondContact O-N 3.47Å; N358-T360 PolarHBondContact O-N 3.45Å; N358-T360 VanDerWaalsContact O-N 3.13Å; N358-T360 PolarHBondContact O-OG1 3.19Å; N358-T360 VanDerWaalsContact O-OG1 3.06Å
359	F	98.4	Very high	97.9	Very high	4 Å²	4	40 Å²	40	2%	0.018	19%	0.192	C	C	.	.			trans	-52	123.4	177.9	-174.2	-89.2	0	0	0	111.3	V323 Q349 L352 R353 V356 P357 F361	V323-F359 HydrophobicContact CB-CZ 4.41Å; V323-F359 HydrophobicContact CG2-CE2 4.02Å; V323-F359 HydrophobicContact CG2-CZ 4.06Å; Q349-F359 HydrophobicContact CG-CD1 4.19Å; L352-F359 HydrophobicContact CB-CB 4.34Å; L352-F359 HydrophobicContact CB-CD1 3.69Å; L352-F359 HydrophobicContact CB-CE1 4.13Å; L352-F359 HydrophobicContact CB-CG 3.91Å; L352-F359 HydrophobicContact CD1-CD1 3.9Å; L352-F359 HydrophobicContact CD1-CE1 3.42Å; L352-F359 VanDerWaalsContact CD1-CE1 3.42Å; L352-F359 HydrophobicContact CD1-CE2 4.15Å; L352-F359 HydrophobicContact CD1-CG 4.46Å; L352-F359 HydrophobicContact CD1-CZ 3.56Å; L352-F359 HydrophobicContact CG-CD1 4.46Å; L352-F359 HydrophobicContact CG-CE1 4.43Å; R353-F359 HydrophobicContact CG-CB 4.05Å; R353-F359 VanDerWaalsContact CG-O 3.32Å; R353-F359 WeakPolarHBondContact CG-O 3.42Å; R353-F359 PolarHBondContact NE-O 3.32Å; R353-F359 PolarHBondContact NH2-O 3.3Å; V356-F359 HydrophobicContact CB-CB 4.07Å; V356-F359 HydrophobicContact CB-CD2 4.3Å; V356-F359 HydrophobicContact CG1-CB 4.15Å; V356-F359 HydrophobicContact CG1-CD2 4.03Å; V356-F359 VanDerWaalsContact O-CB 3.24Å; V356-F359 WeakPolarHBondContact O-CB 3.38Å; V356-F359 PolarHBondContact O-N 3.11Å; V356-F359 VanDerWaalsContact O-N 3.12Å; P357-F359 PolarHBondContact O-N 2.86Å; F359-F361 HydrophobicContact CE1-CD1 4.11Å; F359-F361 AromaticContact CE1-CD2 3.93Å; F359-F361 HydrophobicContact CE1-CD2 3.93Å; F359-F361 AromaticContact CE1-CE1 3.86Å; F359-F361 HydrophobicContact CE1-CE1 3.86Å; F359-F361 AromaticContact CE1-CE2 3.68Å; F359-F361 HydrophobicContact CE1-CE2 3.68Å; F359-F361 HydrophobicContact CE1-CG 4.15Å; F359-F361 AromaticContact CE1-CZ 3.64Å; F359-F361 HydrophobicContact CE1-CZ 3.64Å; F359-F361 HydrophobicContact CZ-CD1 4.04Å; F359-F361 AromaticContact CZ-CE1 3.68Å; F359-F361 HydrophobicContact CZ-CE1 3.68Å; F359-F361 HydrophobicContact CZ-CE2 4.34Å; F359-F361 AromaticContact CZ-CZ 3.86Å; F359-F361 HydrophobicContact CZ-CZ 3.86Å
360	T	98.1	Very high	97.8	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	20%	0.2	C	C	.	.			trans	-145.6	124.8	-178.7	-56.6	0	0	0	0	107.7	Q349 R353 N358 W392	Q349-T360 VanDerWaalsContact OE1-CA 3.32Å; R353-T360 PolarHBondContact NH2-OG1 3.14Å; N358-T360 PolarHBondContact O-N 3.45Å; N358-T360 VanDerWaalsContact O-N 3.13Å; N358-T360 PolarHBondContact O-OG1 3.19Å; N358-T360 VanDerWaalsContact O-OG1 3.06Å; T360-W392 HydrophobicContact CG2-CB 4.44Å; T360-W392 HydrophobicContact CG2-CD2 3.94Å; T360-W392 HydrophobicContact CG2-CG 3.88Å
361	F	98.6	Very high	97.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.			trans	-66.6	139.7	172	-71.3	-70.8	0	0	0	109.6	V323 I325 L345 Q349 L352 F359 L363 F391 W392 Y540 L547	V323-F361 HydrophobicContact CB-CD1 4.01Å; V323-F361 HydrophobicContact CB-CE1 4.15Å; V323-F361 HydrophobicContact CG1-CD1 3.96Å; V323-F361 HydrophobicContact CG1-CE1 3.94Å; I325-F361 HydrophobicContact CD1-CB 4.02Å; I325-F361 HydrophobicContact CD1-CD1 3.82Å; I325-F361 HydrophobicContact CD1-CG 4.02Å; I325-F361 HydrophobicContact CG1-CD1 4.23Å; L345-F361 HydrophobicContact CD1-CD1 4.45Å; L345-F361 HydrophobicContact CD1-CD2 3.48Å; L345-F361 VanDerWaalsContact CD1-CD2 3.48Å; L345-F361 HydrophobicContact CD1-CE1 4.41Å; L345-F361 HydrophobicContact CD1-CE2 3.42Å; L345-F361 VanDerWaalsContact CD1-CE2 3.42Å; L345-F361 HydrophobicContact CD1-CG 4.02Å; L345-F361 HydrophobicContact CD1-CZ 3.92Å; L345-F361 HydrophobicContact CG-CD2 4.1Å; L345-F361 HydrophobicContact CG-CE2 4.29Å; Q349-F361 HydrophobicContact CB-CD2 3.97Å; Q349-F361 HydrophobicContact CB-CE2 3.98Å; Q349-F361 HydrophobicContact CG-CD2 4.35Å; L352-F361 HydrophobicContact CD1-CZ 4.36Å; F359-F361 HydrophobicContact CE1-CD1 4.11Å; F359-F361 AromaticContact CE1-CD2 3.93Å; F359-F361 HydrophobicContact CE1-CD2 3.93Å; F359-F361 AromaticContact CE1-CE1 3.86Å; F359-F361 HydrophobicContact CE1-CE1 3.86Å; F359-F361 AromaticContact CE1-CE2 3.68Å; F359-F361 HydrophobicContact CE1-CE2 3.68Å; F359-F361 HydrophobicContact CE1-CG 4.15Å; F359-F361 AromaticContact CE1-CZ 3.64Å; F359-F361 HydrophobicContact CE1-CZ 3.64Å; F359-F361 HydrophobicContact CZ-CD1 4.04Å; F359-F361 AromaticContact CZ-CE1 3.68Å; F359-F361 HydrophobicContact CZ-CE1 3.68Å; F359-F361 HydrophobicContact CZ-CE2 4.34Å; F359-F361 AromaticContact CZ-CZ 3.86Å; F359-F361 HydrophobicContact CZ-CZ 3.86Å; F361-L363 HydrophobicContact CB-CD1 3.77Å; F361-F391 HydrophobicContact CB-CD1 4.08Å; F361-F391 HydrophobicContact CB-CE1 4.32Å; F361-W392 PolarHBondContact O-N 3.38Å; F361-W392 VanDerWaalsContact O-N 3.11Å; F361-Y540 AromaticContact CE1-CE1 3.98Å; F361-Y540 HydrophobicContact CE1-CE1 3.98Å; F361-Y540 HydrophobicContact CZ-CE1 4.22Å; F361-L547 HydrophobicContact CE2-CD2 4.34Å; F361-L547 HydrophobicContact CZ-CD2 4.03Å
362	N	98.3	Very high	97.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.3	-178	-168.3	27.6	0	0	0	108.6	L322 V323 D324 I325 W392 F394 Y434	L322-N362 HydrophobicContact CD1-CB 4.1Å; V323-N362 PolarHBondContact O-N 3.34Å; V323-N362 VanDerWaalsContact O-N 3.13Å; D324-N362 CarbonylContact C-O 3.44Å; D324-N362 WeakPolarHBondContact CA-O 3.31Å; D324-N362 WeakPolarHBondContact OD1-CB 3.48Å; D324-N362 PolarHBondContact OD1-ND2 3.41Å; I325-N362 PolarHBondContact N-O 3Å; N362-W392 CarbonylContact C-O 3.59Å; N362-W392 WeakPolarHBondContact CA-O 3.47Å; N362-W392 HydrophobicContact CB-CB 4.22Å; N362-W392 WeakPolarHBondContact OD1-CB 3.33Å; N362-F394 HydrophobicContact CB-CD1 4.43Å; N362-F394 HydrophobicContact CB-CE1 4.24Å; N362-F394 VanDerWaalsContact CG-CD1 3.48Å; N362-F394 WeakPolarHBondContact ND2-CD1 3.33Å; N362-F394 WeakPolarHBondContact O-CE1 3.39Å; N362-F394 WeakPolarHBondContact OD1-CD1 3.38Å; N362-Y434 WeakPolarHBondContact ND2-CD1 3.45Å; N362-Y434 VanDerWaalsContact ND2-CE1 3.27Å; N362-Y434 WeakPolarHBondContact ND2-CE1 3.43Å
363	L	98.6	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117	-164.8	-86.5	60.9	0	0	0	110.8	I325 I328 F361 L384 F391 W392 W393 F394	I325-L363 HydrophobicContact CD1-CD1 4.18Å; I328-L363 HydrophobicContact CD1-CB 4.45Å; I328-L363 HydrophobicContact CD1-CD2 4.28Å; I328-L363 HydrophobicContact CD1-CG 3.96Å; I328-L363 HydrophobicContact CG1-CB 3.89Å; I328-L363 HydrophobicContact CG1-CD2 4.44Å; I328-L363 HydrophobicContact CG1-CG 3.97Å; F361-L363 HydrophobicContact CB-CD1 3.77Å; L363-L384 HydrophobicContact CD2-CD2 4.26Å; L363-F391 HydrophobicContact CD1-CB 4.09Å; L363-F391 HydrophobicContact CD1-CD1 3.75Å; L363-F391 HydrophobicContact CD1-CE1 4.41Å; L363-F391 HydrophobicContact CD1-CG 4.01Å; L363-F391 HydrophobicContact CD2-CB 4.19Å; L363-F391 HydrophobicContact CD2-CD1 4.3Å; L363-F391 HydrophobicContact CD2-CD2 4.06Å; L363-F391 HydrophobicContact CD2-CG 3.92Å; L363-W392 PolarHBondContact N-O 3.1Å; L363-W393 HydrophobicContact CB-CD2 4.06Å; L363-W393 HydrophobicContact CB-CE3 3.76Å; L363-W393 HydrophobicContact CB-CH2 4.42Å; L363-W393 HydrophobicContact CB-CZ3 3.97Å; L363-W393 HydrophobicContact CD2-CH2 3.74Å; L363-W393 HydrophobicContact CD2-CZ2 3.89Å; L363-W393 HydrophobicContact CD2-CZ3 4.1Å; L363-W393 CarbonylContact O-C 3.56Å; L363-W393 WeakPolarHBondContact O-CA 3.47Å; L363-F394 PolarHBondContact O-N 2.9Å
364	G	98.4	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.8	178.9	0	0	0	0	0	112	I325 D327 I328 F394	I325-G364 PolarHBondContact O-N 3.23Å; D327-G364 PolarHBondContact N-O 2.9Å; I328-G364 WeakPolarHBondContact CB-O 3.29Å; I328-G364 PolarHBondContact N-O 3.45Å; G364-F394 WeakPolarHBondContact CA-O 3.27Å
365	F	98.6	Very high	97.5	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.3	-169.5	72.6	-82	0	0	0	114.7	I328 F329 W393 F394 H396 N419 F422 A423 I428 W458	I328-F365 HydrophobicContact CB-CB 4.09Å; I328-F365 HydrophobicContact CG2-CB 4.31Å; F329-F365 HydrophobicContact CD2-CB 4.27Å; F329-F365 HydrophobicContact CE2-CB 4.26Å; F365-W393 HydrophobicContact CB-CE3 4.34Å; F365-W393 HydrophobicContact CB-CZ3 4.27Å; F365-W393 AromaticContact CD1-CE3 3.91Å; F365-W393 HydrophobicContact CD1-CE3 3.91Å; F365-W393 HydrophobicContact CG-CE3 4.36Å; F365-F394 WeakPolarHBondContact CD1-O 3.39Å; F365-F394 WeakPolarHBondContact CE1-O 2.94Å; F365-F394 PolarHBondContact N-O 3.27Å; F365-F394 VanDerWaalsContact N-O 3.1Å; F365-H396 PolarHBondContact O-N 3.3Å; F365-N419 WeakPolarHBondContact CE2-ND2 3.47Å; F365-N419 PolarHBondContact O-ND2 3.28Å; F365-F422 HydrophobicContact CD2-CD1 4.15Å; F365-F422 HydrophobicContact CD2-CE1 4.34Å; F365-F422 HydrophobicContact CE2-CD1 4.13Å; F365-A423 HydrophobicContact CE2-CB 4Å; F365-A423 HydrophobicContact CZ-CB 3.68Å; F365-I428 HydrophobicContact CD1-CG2 4.39Å; F365-I428 HydrophobicContact CD2-CD1 4.37Å; F365-I428 HydrophobicContact CE1-CG2 3.86Å; F365-I428 HydrophobicContact CE2-CD1 4.46Å; F365-I428 HydrophobicContact CG-CD1 4.45Å; F365-I428 HydrophobicContact CZ-CG2 4.19Å; F365-W458 AromaticContact CZ-CH2 3.99Å; F365-W458 HydrophobicContact CZ-CH2 3.99Å
366	S	98.4	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.			trans	-123.8	97.7	167.9	-63.3	0	0	0	0	110.2	I328 K368 F369 H396 M397	I328-S366 PolarHBondContact O-N 3.38Å; I328-S366 VanDerWaalsContact O-N 3.13Å; S366-K368 PolarHBondContact O-N 3.05Å; S366-F369 PolarHBondContact O-N 2.93Å; S366-H396 PolarHBondContact OG-O 2.8Å; S366-M397 VanDerWaalsContact CA-O 3.25Å; S366-M397 WeakPolarHBondContact CA-O 3.41Å; S366-M397 VanDerWaalsContact CB-O 3.27Å; S366-M397 WeakPolarHBondContact CB-O 3.46Å; S366-M397 PolarHBondContact OG-O 3.33Å
367	G	97.9	Very high	97.6	Very high	4 Å²	4	40 Å²	40	4%	0.041	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-64.1	-15.5	-169.2	0	0	0	0	0	115.8	F369 F370 N419	G367-F369 PolarHBondContact O-N 3.32Å; G367-F369 VanDerWaalsContact O-N 3.16Å; G367-F370 WeakPolarHBondContact O-CB 3.12Å; G367-F370 PolarHBondContact O-N 3.14Å; G367-N419 PolarHBondContact N-OD1 3.39Å
368	K	97.8	Very high	97.6	Very high	108 Å²	108	38.2 Å²	38.2	47%	0.47	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59	-29.3	178.8	-178.9	175.9	178.5	-177.8	0	113.2	S366 W398 S399	S366-K368 PolarHBondContact O-N 3.05Å; K368-W398 HydrophobicContact CB-CD2 3.81Å; K368-W398 HydrophobicContact CB-CE3 4.22Å; K368-W398 HydrophobicContact CB-CG 4.26Å; K368-W398 HydrophobicContact CB-CH2 4.29Å; K368-W398 HydrophobicContact CB-CZ2 3.87Å; K368-W398 HydrophobicContact CB-CZ3 4.45Å; K368-W398 WeakPolarHBondContact CB-O 3.43Å; K368-W398 HydrophobicContact CG-CZ2 4.24Å; K368-W398 PolarHBondContact N-O 3.36Å; K368-S399 WeakPolarHBondContact CD-OG 3.48Å; K368-S399 PolarHBondContact NZ-OG 2.94Å
369	F	97.3	Very high	97.7	Very high	57 Å²	57	37.9 Å²	37.9	25%	0.25	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-105.8	13.5	-170.6	-54.7	-81.8	0	0	0	112.6	F329 V330 R336 S366 G367 A372 H400	F329-F369 HydrophobicContact CB-CB 4.37Å; F329-F369 CarbonylContact O-C 3.6Å; F329-F369 WeakPolarHBondContact O-CB 3.39Å; V330-F369 HydrophobicContact CB-CD2 4.4Å; V330-F369 HydrophobicContact CG1-CD2 4.42Å; V330-F369 HydrophobicContact CG1-CE2 4.37Å; V330-F369 HydrophobicContact CG2-CD2 3.91Å; V330-F369 HydrophobicContact CG2-CE2 4.28Å; R336-F369 PolarHBondContact NH2-O 3.33Å; S366-F369 PolarHBondContact O-N 2.93Å; G367-F369 PolarHBondContact O-N 3.32Å; G367-F369 VanDerWaalsContact O-N 3.16Å; F369-A372 HydrophobicContact CB-CB 4.45Å; F369-A372 VanDerWaalsContact O-CB 3.27Å; F369-A372 WeakPolarHBondContact O-CB 3.37Å; F369-A372 PolarHBondContact O-N 3.47Å; F369-H400 HydrophobicContact CE2-CB 3.89Å
370	F	97.7	Very high	97.7	Very high	42 Å²	42	37.7 Å²	37.7	18%	0.184	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	134.3	170.7	-179	-112.2	0	0	0	109.5	F329 G367 D381 L385 F422 H426	F329-F370 AromaticContact CD1-CD2 3.86Å; F329-F370 HydrophobicContact CD1-CD2 3.86Å; F329-F370 HydrophobicContact CD2-CB 4.49Å; F329-F370 HydrophobicContact CD2-CD2 4.44Å; F329-F370 AromaticContact CE1-CD2 3.67Å; F329-F370 HydrophobicContact CE1-CD2 3.67Å; F329-F370 HydrophobicContact CE1-CE2 4.1Å; F329-F370 HydrophobicContact CE2-CD2 4.27Å; F329-F370 HydrophobicContact CG-CB 4.38Å; F329-F370 HydrophobicContact CG-CD2 4.25Å; F329-F370 AromaticContact CZ-CD2 3.89Å; F329-F370 HydrophobicContact CZ-CD2 3.89Å; F329-F370 HydrophobicContact CZ-CE2 4.31Å; G367-F370 WeakPolarHBondContact O-CB 3.12Å; G367-F370 PolarHBondContact O-N 3.14Å; F370-D381 HydrophobicContact CD2-CB 4.12Å; F370-D381 HydrophobicContact CE2-CB 3.81Å; F370-L385 HydrophobicContact CD2-CD1 4.11Å; F370-L385 HydrophobicContact CE2-CD1 3.33Å; F370-L385 HydrophobicContact CE2-CG 4.22Å; F370-L385 HydrophobicContact CZ-CD1 3.57Å; F370-F422 HydrophobicContact CB-CE2 3.68Å; F370-F422 HydrophobicContact CB-CZ 3.76Å; F370-F422 AromaticContact CD1-CE2 3.99Å; F370-F422 HydrophobicContact CD1-CE2 3.99Å; F370-F422 HydrophobicContact CD1-CZ 4.3Å; F370-F422 HydrophobicContact CD2-CZ 4.09Å; F370-F422 AromaticContact CG-CE2 3.84Å; F370-F422 HydrophobicContact CG-CE2 3.84Å; F370-F422 AromaticContact CG-CZ 3.79Å; F370-F422 HydrophobicContact CG-CZ 3.79Å; F370-H426 AromaticContact CE1-NE2 4Å
371	H	97.1	Very high	97.7	Very high	80 Å²	80	37.1 Å²	37.1	37%	0.37	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	48.5	-174.5	-63.2	173.3	0	0	0	114	D378 D382	H371-D378 VanDerWaalsContact CA-OD1 3.29Å; H371-D378 WeakPolarHBondContact CA-OD1 3.4Å; H371-D382 IonicContact CE1-OD1 3.64Å; H371-D382 PolarHBondContact CE1-OD1 2.78Å; H371-D382 IonicContact CE1-OD2 2.83Å; H371-D382 IonicContact NE2-OD1 3.91Å; H371-D382 PolarHBondContact NE2-OD1 3.28Å; H371-D382 IonicContact NE2-OD2 2.78Å
372	A	95.4	Very high	97.7	Very high	55 Å²	55	40.4 Å²	40.4	46%	0.455	22%	0.215	S	C	.	.			trans	-114.1	13.6	176.2	0	0	0	0	0	112.6	F369	F369-A372 HydrophobicContact CB-CB 4.45Å; F369-A372 VanDerWaalsContact O-CB 3.27Å; F369-A372 WeakPolarHBondContact O-CB 3.37Å; F369-A372 PolarHBondContact O-N 3.47Å
373	G	94.4	Very high	97.7	Very high	18 Å²	18	42.1 Å²	42.1	19%	0.186	22%	0.224	C	C	.	.	S	Bend	trans	-102	-160.4	177.4	0	0	0	0	0	112.8	E377 D378	G373-E377 WeakPolarHBondContact CA-OE2 3.28Å; G373-D378 WeakPolarHBondContact CA-OD1 3.48Å; G373-D378 PolarHBondContact N-OD1 3.39Å
374	S	96.9	Very high	97.7	Very high	33 Å²	33	42.1 Å²	42.1	23%	0.231	22%	0.224	C	C	.	.			trans	-78.1	163.7	165.2	58.3	0	0	0	0	111.5	E376 E377 D378	S374-E376 PolarHBondContact O-N 2.89Å; S374-E376 VanDerWaalsContact O-N 3.08Å; S374-E377 PolarHBondContact N-OE2 2.81Å; S374-E377 WeakPolarHBondContact O-CA 3.3Å; S374-E377 WeakPolarHBondContact O-CB 3.34Å; S374-E377 PolarHBondContact O-N 3.49Å; S374-E377 WeakPolarHBondContact OG-CG 3.46Å; S374-E377 PolarHBondContact OG-OE2 3.34Å; S374-D378 PolarHBondContact O-N 2.95Å
375	D	97.6	Very high	97.7	Very high	140 Å²	140	43.3 Å²	43.3	75%	0.749	23%	0.23	S	C	*	.	H	α-helix	trans	-50.3	-38.5	177.9	-64.2	-13	0	0	0	113	L379	D375-L379 VanDerWaalsContact O-CG 3.25Å; D375-L379 WeakPolarHBondContact O-CG 3.32Å; D375-L379 PolarHBondContact O-N 3.09Å; D375-L379 VanDerWaalsContact O-N 3.17Å
376	E	97.8	Very high	97.7	Very high	112 Å²	112	47.1 Å²	47.1	52%	0.523	26%	0.257	S	S	.	.	H	α-helix	trans	-70.1	-33.6	177.8	-67	-175.4	173.7	0	0	113.6	K338 S374 G380	K338-E376 HydrophobicContact CD-CB 4.37Å; K338-E376 WeakPolarHBondContact CE-OE2 3.19Å; K338-E376 IonicContact NZ-OE2 2.7Å; K338-E376 PolarHBondContact NZ-OE2 2.69Å; S374-E376 PolarHBondContact O-N 2.89Å; S374-E376 VanDerWaalsContact O-N 3.08Å; E376-G380 PolarHBondContact O-N 3.26Å
377	E	97.9	Very high	97.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-78.1	-38.3	178.9	-70	172.8	133.6	0	0	110.9	G334 T335 R336 K338 G373 S374 L379 G380 D381	G334-E377 VanDerWaalsContact CA-OE1 3.31Å; G334-E377 WeakPolarHBondContact CA-OE1 3.21Å; G334-E377 PolarHBondContact N-OE1 3.5Å; G334-E377 PolarHBondContact N-OE2 3.39Å; T335-E377 PolarHBondContact N-OE1 2.71Å; R336-E377 HydrophobicContact CB-CB 3.94Å; R336-E377 HydrophobicContact CB-CG 3.81Å; R336-E377 WeakPolarHBondContact CB-OE1 3.39Å; R336-E377 PolarHBondContact N-OE1 2.59Å; K338-E377 HydrophobicContact CG-CG 4.22Å; G373-E377 WeakPolarHBondContact CA-OE2 3.28Å; S374-E377 PolarHBondContact N-OE2 2.81Å; S374-E377 WeakPolarHBondContact O-CA 3.3Å; S374-E377 WeakPolarHBondContact O-CB 3.34Å; S374-E377 PolarHBondContact O-N 3.49Å; S374-E377 WeakPolarHBondContact OG-CG 3.46Å; S374-E377 PolarHBondContact OG-OE2 3.34Å; E377-L379 VanDerWaalsContact C-N 3.31Å; E377-L379 PolarHBondContact O-N 3.36Å; E377-G380 CarbonylContact O-C 3.38Å; E377-G380 VanDerWaalsContact O-CA 3.24Å; E377-G380 WeakPolarHBondContact O-CA 3.44Å; E377-G380 PolarHBondContact O-N 3.42Å; E377-D381 PolarHBondContact O-N 3.37Å
378	D	98.3	Very high	97.6	Very high	28 Å²	28	50.4 Å²	50.4	15%	0.15	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-36.2	176.4	-72.2	-1.2	0	0	0	111.2	H371 G373 S374 G380 D381 D382	H371-D378 VanDerWaalsContact CA-OD1 3.29Å; H371-D378 WeakPolarHBondContact CA-OD1 3.4Å; G373-D378 WeakPolarHBondContact CA-OD1 3.48Å; G373-D378 PolarHBondContact N-OD1 3.39Å; S374-D378 PolarHBondContact O-N 2.95Å; D378-G380 PolarHBondContact O-N 3.5Å; D378-D381 WeakPolarHBondContact O-CB 3.3Å; D378-D381 PolarHBondContact O-N 3.39Å; D378-D382 PolarHBondContact O-N 2.91Å
379	L	98.6	Very high	97.6	Very high	100 Å²	100	55.1 Å²	55.1	52%	0.524	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-29.1	167.5	-72	172.8	0	0	0	112.9	V339 D375 E377 L383	V339-L379 HydrophobicContact CG2-CB 3.89Å; D375-L379 VanDerWaalsContact O-CG 3.25Å; D375-L379 WeakPolarHBondContact O-CG 3.32Å; D375-L379 PolarHBondContact O-N 3.09Å; D375-L379 VanDerWaalsContact O-N 3.17Å; E377-L379 VanDerWaalsContact C-N 3.31Å; E377-L379 PolarHBondContact O-N 3.36Å; L379-L383 WeakPolarHBondContact O-CB 3.27Å; L379-L383 PolarHBondContact O-N 3.14Å; L379-L383 VanDerWaalsContact O-N 3.11Å
380	G	98.2	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-44.7	171.4	0	0	0	0	0	112	E376 E377 D378 D382 L383 L384	E376-G380 PolarHBondContact O-N 3.26Å; E377-G380 CarbonylContact O-C 3.38Å; E377-G380 VanDerWaalsContact O-CA 3.24Å; E377-G380 WeakPolarHBondContact O-CA 3.44Å; E377-G380 PolarHBondContact O-N 3.42Å; D378-G380 PolarHBondContact O-N 3.5Å; G380-D382 VanDerWaalsContact C-N 3.33Å; G380-D382 PolarHBondContact O-N 3.41Å; G380-L383 PolarHBondContact O-N 3.14Å; G380-L384 PolarHBondContact O-N 3.13Å
381	D	98.2	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-44.5	174	-74.1	-12	0	0	0	111.4	F329 R336 F370 E377 D378 L383 L384 L385	F329-D381 HydrophobicContact CD1-CB 4.05Å; F329-D381 VanDerWaalsContact CD1-CG 3.45Å; F329-D381 WeakPolarHBondContact CD1-OD1 3.41Å; F329-D381 HydrophobicContact CE1-CB 3.79Å; R336-D381 IonicContact CZ-OD2 3.22Å; R336-D381 IonicContact NE-OD2 3.95Å; R336-D381 IonicContact NH2-OD1 3.23Å; R336-D381 IonicContact NH2-OD2 2.76Å; R336-D381 PolarHBondContact NH2-OD2 3.4Å; F370-D381 HydrophobicContact CD2-CB 4.12Å; F370-D381 HydrophobicContact CE2-CB 3.81Å; E377-D381 PolarHBondContact O-N 3.37Å; D378-D381 WeakPolarHBondContact O-CB 3.3Å; D378-D381 PolarHBondContact O-N 3.39Å; D381-L383 VanDerWaalsContact C-N 3.35Å; D381-L383 PolarHBondContact O-N 3.48Å; D381-L384 WeakPolarHBondContact O-CB 3.49Å; D381-L384 PolarHBondContact O-N 2.72Å; D381-L385 PolarHBondContact O-N 3.42Å; D381-L385 VanDerWaalsContact O-N 3.11Å
382	D	98.6	Very high	97.7	Very high	68 Å²	68	52.3 Å²	52.3	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-43.4	175.5	-75.2	-21.5	0	0	0	112.1	H371 D378 G380 L384 L385 S386	H371-D382 IonicContact CE1-OD1 3.64Å; H371-D382 PolarHBondContact CE1-OD1 2.78Å; H371-D382 IonicContact CE1-OD2 2.83Å; H371-D382 IonicContact NE2-OD1 3.91Å; H371-D382 PolarHBondContact NE2-OD1 3.28Å; H371-D382 IonicContact NE2-OD2 2.78Å; D378-D382 PolarHBondContact O-N 2.91Å; G380-D382 VanDerWaalsContact C-N 3.33Å; G380-D382 PolarHBondContact O-N 3.41Å; D382-L384 VanDerWaalsContact C-N 3.34Å; D382-L384 PolarHBondContact O-N 3.34Å; D382-L385 PolarHBondContact O-N 3.19Å; D382-S386 PolarHBondContact O-N 3.38Å
383	L	98.5	Very high	97.8	Very high	37 Å²	37	49.8 Å²	49.8	19%	0.194	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-33.9	178.6	-169.6	67.4	0	0	0	112.1	V339 V342 K343 L379 G380 D381 L385 S386 H387	V339-L383 HydrophobicContact CB-CD2 4.31Å; V339-L383 HydrophobicContact CG1-CD2 3.9Å; V339-L383 HydrophobicContact CG2-CD2 4.32Å; V342-L383 HydrophobicContact CB-CD2 4.05Å; V342-L383 HydrophobicContact CB-CG 4.48Å; V342-L383 HydrophobicContact CG1-CB 4.28Å; V342-L383 HydrophobicContact CG1-CD2 3.99Å; V342-L383 HydrophobicContact CG1-CG 3.96Å; K343-L383 HydrophobicContact CG-CD2 4.12Å; L379-L383 WeakPolarHBondContact O-CB 3.27Å; L379-L383 PolarHBondContact O-N 3.14Å; L379-L383 VanDerWaalsContact O-N 3.11Å; G380-L383 PolarHBondContact O-N 3.14Å; D381-L383 VanDerWaalsContact C-N 3.35Å; D381-L383 PolarHBondContact O-N 3.48Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L383-S386 PolarHBondContact O-N 2.85Å; L383-S386 PolarHBondContact O-OG 3.42Å; L383-H387 PolarHBondContact O-CD2 2.89Å; L383-H387 PolarHBondContact O-N 3.4Å
384	L	98	Very high	98	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-44.8	171.8	-77.1	164.8	0	0	0	110.8	M337 V342 L345 L363 G380 D381 D382 S386 H387 V388 F391	M337-L384 HydrophobicContact CE-CD1 3.64Å; M337-L384 HydrophobicContact CE-CD2 4.31Å; V342-L384 HydrophobicContact CB-CD2 4.44Å; V342-L384 HydrophobicContact CB-CG 4.45Å; V342-L384 HydrophobicContact CG1-CD2 3.74Å; V342-L384 HydrophobicContact CG1-CG 3.92Å; V342-L384 HydrophobicContact CG2-CD1 4.14Å; V342-L384 HydrophobicContact CG2-CD2 3.98Å; V342-L384 HydrophobicContact CG2-CG 3.66Å; L345-L384 HydrophobicContact CD2-CD2 4.25Å; L363-L384 HydrophobicContact CD2-CD2 4.26Å; G380-L384 PolarHBondContact O-N 3.13Å; D381-L384 WeakPolarHBondContact O-CB 3.49Å; D381-L384 PolarHBondContact O-N 2.72Å; D382-L384 VanDerWaalsContact C-N 3.34Å; D382-L384 PolarHBondContact O-N 3.34Å; L384-S386 VanDerWaalsContact C-N 3.34Å; L384-S386 PolarHBondContact O-N 3.35Å; L384-H387 CarbonylContact O-C 3.52Å; L384-H387 PolarHBondContact O-N 2.96Å; L384-H387 VanDerWaalsContact O-N 3.09Å; L384-V388 PolarHBondContact O-N 2.71Å; L384-F391 HydrophobicContact CD2-CE2 4.24Å
385	L	98.2	Very high	98.1	Very high	26 Å²	26	47.9 Å²	47.9	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-69.8	-29.1	179.6	-69.2	-175.1	0	0	0	113.1	F329 F370 D381 D382 L383 H387 V388 W393 H426 I428	F329-L385 HydrophobicContact CZ-CD1 4.35Å; F329-L385 HydrophobicContact CZ-CD2 3.9Å; F329-L385 HydrophobicContact CZ-CG 4.05Å; F370-L385 HydrophobicContact CD2-CD1 4.11Å; F370-L385 HydrophobicContact CE2-CD1 3.33Å; F370-L385 HydrophobicContact CE2-CG 4.22Å; F370-L385 HydrophobicContact CZ-CD1 3.57Å; D381-L385 PolarHBondContact O-N 3.42Å; D381-L385 VanDerWaalsContact O-N 3.11Å; D382-L385 PolarHBondContact O-N 3.19Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L385-H387 PolarHBondContact O-N 2.91Å; L385-V388 HydrophobicContact CD2-CG2 4.08Å; L385-V388 VanDerWaalsContact O-CG2 3.22Å; L385-V388 WeakPolarHBondContact O-CG2 3.5Å; L385-V388 PolarHBondContact O-N 3.1Å; L385-W393 HydrophobicContact CD2-CH2 4.21Å; L385-H426 HydrophobicContact CD1-CB 4.11Å; L385-H426 HydrophobicContact CD2-CB 4.31Å; L385-I428 HydrophobicContact CD2-CD1 3.9Å; L385-I428 HydrophobicContact CD2-CG1 4.21Å
386	S	98.3	Very high	98.1	Very high	81 Å²	81	41.3 Å²	41.3	57%	0.566	21%	0.208	S	C	*	.	H	α-helix	trans	-66.3	-16.9	171.6	76.9	0	0	0	0	113	D382 L383 L384	D382-S386 PolarHBondContact O-N 3.38Å; L383-S386 PolarHBondContact O-N 2.85Å; L383-S386 PolarHBondContact O-OG 3.42Å; L384-S386 VanDerWaalsContact C-N 3.34Å; L384-S386 PolarHBondContact O-N 3.35Å
387	H	98.2	Very high	98.1	Very high	58 Å²	58	36.4 Å²	36.4	27%	0.269	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	24.4	-179	-76.7	-72.8	0	0	0	113.9	L346 L383 L384 L385 K389 D390 F391	L346-H387 HydrophobicContact CD1-CB 4.4Å; L346-H387 HydrophobicContact CD2-CB 4.41Å; L383-H387 PolarHBondContact O-CD2 2.89Å; L383-H387 PolarHBondContact O-N 3.4Å; L384-H387 CarbonylContact O-C 3.52Å; L384-H387 PolarHBondContact O-N 2.96Å; L384-H387 VanDerWaalsContact O-N 3.09Å; L385-H387 PolarHBondContact O-N 2.91Å; H387-K389 PolarHBondContact O-N 2.91Å; H387-D390 HydrophobicContact CB-CB 4.41Å; H387-D390 IonicContact CE1-OD2 3.54Å; H387-D390 IonicContact CG-OD2 2.68Å; H387-D390 IonicContact ND1-OD2 3.26Å; H387-D390 PolarHBondContact ND1-OD2 3.29Å; H387-D390 WeakPolarHBondContact O-CB 3.44Å; H387-D390 PolarHBondContact O-N 2.6Å; H387-F391 HydrophobicContact CB-CD2 4.5Å; H387-F391 HydrophobicContact CB-CE2 4.06Å; H387-F391 WeakPolarHBondContact O-CD2 3.46Å
388	V	97.9	Very high	98	Very high	14 Å²	14	39 Å²	39	9%	0.085	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-49.3	-38.9	-179.2	162.6	0	0	0	0	113.8	L384 L385 D390 F391 W393 G427 I428	L384-V388 PolarHBondContact O-N 2.71Å; L385-V388 HydrophobicContact CD2-CG2 4.08Å; L385-V388 VanDerWaalsContact O-CG2 3.22Å; L385-V388 WeakPolarHBondContact O-CG2 3.5Å; L385-V388 PolarHBondContact O-N 3.1Å; V388-D390 VanDerWaalsContact C-N 3.27Å; V388-D390 PolarHBondContact O-N 2.01Å; V388-F391 PolarHBondContact O-N 3.05Å; V388-W393 HydrophobicContact CG2-CZ2 3.96Å; V388-W393 PolarHBondContact O-NE1 2.89Å; V388-G427 WeakPolarHBondContact CG1-O 3.39Å; V388-I428 HydrophobicContact CG2-CG1 4.04Å
389	K	96.9	Very high	97.9	Very high	208 Å²	208	38.6 Å²	38.6	90%	0.904	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-72.9	-16.6	-177.9	-64.8	-179.8	-177.6	173.6	0	114	H387 F391	H387-K389 PolarHBondContact O-N 2.91Å; K389-F391 VanDerWaalsContact C-N 3.35Å
390	D	97.4	Very high	97.8	Very high	66 Å²	66	35.5 Å²	35.5	35%	0.353	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-85.8	-10.4	-178.9	-66.6	-63.1	0	0	0	112.9	L346 Q349 H387 V388	L346-D390 HydrophobicContact CD2-CB 3.95Å; Q349-D390 PolarHBondContact NE2-O 2.86Å; H387-D390 HydrophobicContact CB-CB 4.41Å; H387-D390 IonicContact CE1-OD2 3.54Å; H387-D390 IonicContact CG-OD2 2.68Å; H387-D390 IonicContact ND1-OD2 3.26Å; H387-D390 PolarHBondContact ND1-OD2 3.29Å; H387-D390 WeakPolarHBondContact O-CB 3.44Å; H387-D390 PolarHBondContact O-N 2.6Å; V388-D390 VanDerWaalsContact C-N 3.27Å; V388-D390 PolarHBondContact O-N 2.01Å
391	F	98.1	Very high	97.7	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.035	20%	0.195	C	C	.	.	S	Bend	trans	-122	162.3	-177.3	-61.8	-68.6	0	0	0	112.4	L345 L346 F361 L363 L384 H387 V388 K389	L345-F391 HydrophobicContact CD2-CE1 3.87Å; L345-F391 HydrophobicContact CD2-CZ 3.79Å; L345-F391 HydrophobicContact CG-CE1 4.06Å; L345-F391 HydrophobicContact CG-CZ 4.17Å; L346-F391 HydrophobicContact CD2-CE1 4.24Å; L346-F391 HydrophobicContact CD2-CE2 3.82Å; L346-F391 HydrophobicContact CD2-CZ 3.47Å; L346-F391 VanDerWaalsContact CD2-CZ 3.47Å; L346-F391 HydrophobicContact CG-CE2 4.47Å; L346-F391 HydrophobicContact CG-CZ 3.97Å; F361-F391 HydrophobicContact CB-CD1 4.08Å; F361-F391 HydrophobicContact CB-CE1 4.32Å; L363-F391 HydrophobicContact CD1-CB 4.09Å; L363-F391 HydrophobicContact CD1-CD1 3.75Å; L363-F391 HydrophobicContact CD1-CE1 4.41Å; L363-F391 HydrophobicContact CD1-CG 4.01Å; L363-F391 HydrophobicContact CD2-CB 4.19Å; L363-F391 HydrophobicContact CD2-CD1 4.3Å; L363-F391 HydrophobicContact CD2-CD2 4.06Å; L363-F391 HydrophobicContact CD2-CG 3.92Å; L384-F391 HydrophobicContact CD2-CE2 4.24Å; H387-F391 HydrophobicContact CB-CD2 4.5Å; H387-F391 HydrophobicContact CB-CE2 4.06Å; H387-F391 WeakPolarHBondContact O-CD2 3.46Å; V388-F391 PolarHBondContact O-N 3.05Å; K389-F391 VanDerWaalsContact C-N 3.35Å
392	W	98.3	Very high	97.6	Very high	45 Å²	45	41.6 Å²	41.6	17%	0.17	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	155.4	159.9	-65.7	-18.5	0	0	0	109.9	L322 T360 F361 N362 L363 M432 T567 P569	L322-W392 HydrophobicContact CD1-CE3 4.03Å; L322-W392 HydrophobicContact CD1-CZ3 3.84Å; T360-W392 HydrophobicContact CG2-CB 4.44Å; T360-W392 HydrophobicContact CG2-CD2 3.94Å; T360-W392 HydrophobicContact CG2-CG 3.88Å; F361-W392 PolarHBondContact O-N 3.38Å; F361-W392 VanDerWaalsContact O-N 3.11Å; N362-W392 CarbonylContact C-O 3.59Å; N362-W392 WeakPolarHBondContact CA-O 3.47Å; N362-W392 HydrophobicContact CB-CB 4.22Å; N362-W392 WeakPolarHBondContact OD1-CB 3.33Å; L363-W392 PolarHBondContact N-O 3.1Å; W392-M432 HydrophobicContact CB-CE 3.83Å; W392-M432 HydrophobicContact CD2-CE 4.37Å; W392-M432 HydrophobicContact CG-CE 3.66Å; W392-T567 HydrophobicContact CH2-CG2 3.87Å; W392-T567 HydrophobicContact CZ3-CG2 3.78Å; W392-P569 VanDerWaalsContact CH2-CA 3.49Å; W392-P569 HydrophobicContact CH2-CB 4.07Å; W392-P569 HydrophobicContact CH2-CG 3.77Å; W392-P569 VanDerWaalsContact CH2-N 3.32Å; W392-P569 HydrophobicContact CZ2-CB 4.2Å; W392-P569 HydrophobicContact CZ2-CG 3.72Å; W392-P569 HydrophobicContact CZ3-CB 4.45Å
393	W	98.4	Very high	97.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.6	-174.8	-64.3	84.8	0	0	0	110.8	I328 L363 F365 L385 V388 I428 M432	I328-W393 HydrophobicContact CG2-CZ3 4.16Å; L363-W393 HydrophobicContact CB-CD2 4.06Å; L363-W393 HydrophobicContact CB-CE3 3.76Å; L363-W393 HydrophobicContact CB-CH2 4.42Å; L363-W393 HydrophobicContact CB-CZ3 3.97Å; L363-W393 HydrophobicContact CD2-CH2 3.74Å; L363-W393 HydrophobicContact CD2-CZ2 3.89Å; L363-W393 HydrophobicContact CD2-CZ3 4.1Å; L363-W393 CarbonylContact O-C 3.56Å; L363-W393 WeakPolarHBondContact O-CA 3.47Å; F365-W393 HydrophobicContact CB-CE3 4.34Å; F365-W393 HydrophobicContact CB-CZ3 4.27Å; F365-W393 AromaticContact CD1-CE3 3.91Å; F365-W393 HydrophobicContact CD1-CE3 3.91Å; F365-W393 HydrophobicContact CG-CE3 4.36Å; L385-W393 HydrophobicContact CD2-CH2 4.21Å; V388-W393 HydrophobicContact CG2-CZ2 3.96Å; V388-W393 PolarHBondContact O-NE1 2.89Å; W393-I428 HydrophobicContact CB-CG2 3.58Å; W393-I428 HydrophobicContact CD2-CG1 4.44Å; W393-I428 HydrophobicContact CD2-CG2 3.87Å; W393-I428 HydrophobicContact CE3-CD1 4.08Å; W393-I428 HydrophobicContact CE3-CG1 4.46Å; W393-I428 HydrophobicContact CE3-CG2 4.11Å; W393-I428 HydrophobicContact CG-CG2 3.65Å; W393-I428 HydrophobicContact CZ3-CD1 4.08Å; W393-M432 WeakPolarHBondContact O-CG 3.41Å
394	F	98.6	Very high	97.2	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.8	170.3	61.9	-89.7	0	0	0	111.5	D324 D326 N362 L363 G364 F365 Y434 V436	D324-F394 HydrophobicContact CB-CE1 4.08Å; D324-F394 HydrophobicContact CB-CZ 4.09Å; D326-F394 WeakPolarHBondContact OD1-CZ 3.44Å; N362-F394 HydrophobicContact CB-CD1 4.43Å; N362-F394 HydrophobicContact CB-CE1 4.24Å; N362-F394 VanDerWaalsContact CG-CD1 3.48Å; N362-F394 WeakPolarHBondContact ND2-CD1 3.33Å; N362-F394 WeakPolarHBondContact O-CE1 3.39Å; N362-F394 WeakPolarHBondContact OD1-CD1 3.38Å; L363-F394 PolarHBondContact O-N 2.9Å; G364-F394 WeakPolarHBondContact CA-O 3.27Å; F365-F394 WeakPolarHBondContact CD1-O 3.39Å; F365-F394 WeakPolarHBondContact CE1-O 2.94Å; F365-F394 PolarHBondContact N-O 3.27Å; F365-F394 VanDerWaalsContact N-O 3.1Å; F394-Y434 HydrophobicContact CB-CD1 3.76Å; F394-Y434 HydrophobicContact CB-CE1 4.45Å; F394-Y434 WeakPolarHBondContact CB-O 3.24Å; F394-Y434 AromaticContact CD1-CD1 3.92Å; F394-Y434 HydrophobicContact CD1-CD1 3.92Å; F394-Y434 AromaticContact CD1-CE1 3.93Å; F394-Y434 HydrophobicContact CD1-CE1 3.93Å; F394-Y434 HydrophobicContact CE1-CE1 4.25Å; F394-Y434 AromaticContact CG-CD1 3.88Å; F394-Y434 HydrophobicContact CG-CD1 3.88Å; F394-Y434 HydrophobicContact CG-CE1 4.08Å; F394-V436 HydrophobicContact CD2-CB 4.09Å; F394-V436 HydrophobicContact CD2-CG2 3.96Å; F394-V436 HydrophobicContact CE2-CB 3.74Å; F394-V436 HydrophobicContact CE2-CG2 3.68Å; F394-V436 HydrophobicContact CZ-CG2 4.22Å
395	P	98.3	Very high	97	Very high	10 Å²	10	40.5 Å²	40.5	7%	0.065	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	137.7	177.3	30.8	-34.8	0	0	0	110.8	Y434 A435 W458	P395-Y434 WeakPolarHBondContact CD-O 3.23Å; P395-A435 HydrophobicContact CG-CB 3.85Å; P395-W458 HydrophobicContact CB-CD2 4.04Å; P395-W458 HydrophobicContact CB-CE3 4.33Å; P395-W458 HydrophobicContact CB-CH2 3.81Å; P395-W458 HydrophobicContact CB-CZ2 3.51Å; P395-W458 HydrophobicContact CB-CZ3 4.22Å; P395-W458 HydrophobicContact CG-CD2 3.74Å; P395-W458 HydrophobicContact CG-CE3 4Å; P395-W458 HydrophobicContact CG-CG 4.11Å; P395-W458 HydrophobicContact CG-CH2 4.37Å; P395-W458 HydrophobicContact CG-CZ2 4.16Å; P395-W458 HydrophobicContact CG-CZ3 4.3Å
396	H	97.8	Very high	96.7	Very high	3 Å²	3	40 Å²	40	1%	0.014	20%	0.197	C	C	.	.			trans	-122.9	36.6	176.7	-155.7	50.4	0	0	0	112.6	D326 D327 F365 S366 H400 V436 P438	D326-H396 IonicContact OD2-CE1 3.6Å; D327-H396 IonicContact OD1-CD2 3.9Å; D327-H396 PolarHBondContact OD1-CD2 2.82Å; D327-H396 IonicContact OD1-NE2 3.83Å; F365-H396 PolarHBondContact O-N 3.3Å; S366-H396 PolarHBondContact OG-O 2.8Å; H396-H400 AromaticContact CD2-CD2 3.44Å; H396-H400 PolarHBondContact CD2-CD2 2.92Å; H396-H400 VanDerWaalsContact CD2-CD2 3.44Å; H396-H400 AromaticContact CD2-NE2 3.7Å; H396-H400 AromaticContact NE2-CD2 3.69Å; H396-H400 AromaticContact NE2-NE2 3.43Å; H396-H400 PolarHBondContact NE2-NE2 3.25Å; H396-V436 PolarHBondContact ND1-O 3.35Å; H396-P438 WeakPolarHBondContact O-CG 3.31Å
397	M	96.9	Very high	96	Very high	8 Å²	8	41 Å²	41	4%	0.039	19%	0.192	C	C	.	.			trans	68.2	158.8	-172	-59.2	-64.3	-69.5	0	0	114.1	S366 F406 L412 Q415 M416 N419 P438	S366-M397 VanDerWaalsContact CA-O 3.25Å; S366-M397 WeakPolarHBondContact CA-O 3.41Å; S366-M397 VanDerWaalsContact CB-O 3.27Å; S366-M397 WeakPolarHBondContact CB-O 3.46Å; S366-M397 PolarHBondContact OG-O 3.33Å; M397-F406 HydrophobicContact CE-CE2 4.46Å; M397-L412 HydrophobicContact CE-CD1 3.38Å; M397-L412 HydrophobicContact SD-CD1 4.47Å; M397-Q415 HydrophobicContact CE-CB 4.21Å; M397-M416 HydrophobicContact CE-CE 4.23Å; M397-M416 HydrophobicContact CE-CG 4.18Å; M397-M416 HydrophobicContact SD-CE 3.67Å; M397-M416 HydrophobicContact SD-CG 3.82Å; M397-N419 PolarHBondContact O-ND2 3.19Å; M397-P438 HydrophobicContact CB-CG 3.95Å; M397-P438 VanDerWaalsContact CG-CD 3.42Å; M397-P438 HydrophobicContact CG-CG 3.8Å
398	W	97.5	Very high	95.5	Very high	57 Å²	57	42.2 Å²	42.2	22%	0.216	20%	0.2	C	C	.	.	S	Bend	trans	-69.6	-56.8	-179.4	171	-116.9	0	0	0	112.7	K368 Q415 L418 N419 F422	K368-W398 HydrophobicContact CB-CD2 3.81Å; K368-W398 HydrophobicContact CB-CE3 4.22Å; K368-W398 HydrophobicContact CB-CG 4.26Å; K368-W398 HydrophobicContact CB-CH2 4.29Å; K368-W398 HydrophobicContact CB-CZ2 3.87Å; K368-W398 HydrophobicContact CB-CZ3 4.45Å; K368-W398 WeakPolarHBondContact CB-O 3.43Å; K368-W398 HydrophobicContact CG-CZ2 4.24Å; K368-W398 PolarHBondContact N-O 3.36Å; W398-Q415 WeakPolarHBondContact CB-O 3.44Å; W398-L418 HydrophobicContact CB-CB 4.18Å; W398-L418 HydrophobicContact CD2-CB 3.75Å; W398-L418 HydrophobicContact CE3-CB 4.16Å; W398-L418 HydrophobicContact CG-CB 3.77Å; W398-L418 HydrophobicContact CG-CD1 4.19Å; W398-N419 HydrophobicContact CB-CB 4.01Å; W398-N419 HydrophobicContact CE3-CB 4.24Å; W398-F422 HydrophobicContact CZ3-CB 3.82Å; W398-F422 HydrophobicContact CZ3-CD2 4.33Å; W398-F422 HydrophobicContact CZ3-CG 4.22Å
399	S	95.8	Very high	95.2	Very high	18 Å²	18	44.6 Å²	44.6	13%	0.126	21%	0.211	C	C	.	.	S	Bend	trans	-96.8	18	-176.8	-56.5	0	0	0	0	113.4	K368 M401 Q415	K368-S399 WeakPolarHBondContact CD-OG 3.48Å; K368-S399 PolarHBondContact NZ-OG 2.94Å; S399-M401 PolarHBondContact O-N 3.07Å; S399-M401 VanDerWaalsContact O-N 3.07Å; S399-Q415 PolarHBondContact OG-OE1 3.44Å
400	H	96.4	Very high	95.1	Very high	36 Å²	36	38.6 Å²	38.6	17%	0.167	20%	0.195	C	C	.	.			trans	52.7	27.9	-171.9	-168.4	-108.9	0	0	0	113.6	D327 V330 F369 H396 H439	D327-H400 IonicContact OD1-CD2 3.98Å; D327-H400 PolarHBondContact OD1-CD2 3.48Å; D327-H400 IonicContact OD1-CE1 2.6Å; D327-H400 IonicContact OD1-NE2 2.71Å; D327-H400 PolarHBondContact OD1-NE2 3.4Å; V330-H400 HydrophobicContact CG1-CB 4.24Å; V330-H400 HydrophobicContact CG2-CB 4.14Å; F369-H400 HydrophobicContact CE2-CB 3.89Å; H396-H400 AromaticContact CD2-CD2 3.44Å; H396-H400 PolarHBondContact CD2-CD2 2.92Å; H396-H400 VanDerWaalsContact CD2-CD2 3.44Å; H396-H400 AromaticContact CD2-NE2 3.7Å; H396-H400 AromaticContact NE2-CD2 3.69Å; H396-H400 AromaticContact NE2-NE2 3.43Å; H396-H400 PolarHBondContact NE2-NE2 3.25Å; H400-H439 AromaticContact CE1-NE2 3.94Å
401	M	95.4	Very high	94.9	Very high	78 Å²	78	38.5 Å²	38.5	38%	0.384	20%	0.197	S	C	.	.			trans	-83.3	139.5	-178.7	-74.5	-175.7	71.7	0	0	111.8	S399 F406	S399-M401 PolarHBondContact O-N 3.07Å; S399-M401 VanDerWaalsContact O-N 3.07Å; M401-F406 HydrophobicContact CB-CE2 3.74Å; M401-F406 HydrophobicContact CB-CZ 3.75Å; M401-F406 HydrophobicContact CE-CE2 4.41Å; M401-F406 HydrophobicContact CE-CZ 3.99Å; M401-F406 HydrophobicContact SD-CZ 4Å
402	Q	96.3	Very high	94.8	Very high	50 Å²	50	38.1 Å²	38.1	23%	0.234	20%	0.195	C	C	.	.			trans	-71.8	130.4	-178.8	-63	156.4	8.5	0	0	110.7	H404 L405 F406 P438 H439	Q402-H404 VanDerWaalsContact C-N 3.33Å; Q402-H404 PolarHBondContact O-N 3.42Å; Q402-H404 PolarHBondContact OE1-CE1 2.9Å; Q402-L405 HydrophobicContact CB-CD1 4.12Å; Q402-L405 HydrophobicContact CB-CG 4.24Å; Q402-L405 WeakPolarHBondContact O-CB 3.4Å; Q402-L405 PolarHBondContact O-N 3.07Å; Q402-F406 WeakPolarHBondContact O-CD2 3.38Å; Q402-P438 HydrophobicContact CG-CB 4.46Å; Q402-H439 HydrophobicContact CG-CB 4.27Å; Q402-H439 PolarHBondContact NE2-CD2 3.35Å; Q402-H439 PolarHBondContact NE2-NE2 3.32Å
403	P	95.4	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-59	-34	-174.9	-31.6	38.7	0	0	0	115.9	L405 F406 L412 A437 S441 L450	P403-L405 PolarHBondContact O-N 3.23Å; P403-L405 VanDerWaalsContact O-N 3.13Å; P403-F406 PolarHBondContact O-N 3.12Å; P403-F406 VanDerWaalsContact O-N 3.08Å; P403-L412 HydrophobicContact CB-CD1 4.37Å; P403-A437 HydrophobicContact CG-CB 3.75Å; P403-S441 WeakPolarHBondContact CD-O 3.43Å; P403-S441 WeakPolarHBondContact CG-O 3.32Å; P403-L450 HydrophobicContact CB-CB 4.24Å; P403-L450 HydrophobicContact CB-CD1 3.9Å; P403-L450 HydrophobicContact CB-CD2 4.04Å; P403-L450 HydrophobicContact CB-CG 4.28Å; P403-L450 HydrophobicContact CG-CD1 3.68Å; P403-L450 HydrophobicContact CG-CD2 3.94Å; P403-L450 HydrophobicContact CG-CG 4.33Å
404	H	94.2	Very high	94.6	Very high	11 Å²	11	42.2 Å²	42.2	5%	0.051	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-65.6	-13.6	-179.6	74.6	-77.2	0	0	0	114.7	Q402 F406 S441 D600 I601 W602	Q402-H404 VanDerWaalsContact C-N 3.33Å; Q402-H404 PolarHBondContact O-N 3.42Å; Q402-H404 PolarHBondContact OE1-CE1 2.9Å; H404-F406 VanDerWaalsContact C-N 3.28Å; H404-S441 WeakPolarHBondContact CB-OG 3.49Å; H404-S441 VanDerWaalsContact CG-OG 3.26Å; H404-S441 PolarHBondContact N-OG 3.11Å; H404-S441 PolarHBondContact ND1-OG 3.45Å; H404-D600 PolarHBondContact NE2-O 3.44Å; H404-I601 VanDerWaalsContact CB-O 3.27Å; H404-I601 WeakPolarHBondContact CB-O 3.48Å; H404-I601 VanDerWaalsContact CG-O 3.32Å; H404-W602 PolarHBondContact CD2-O 3.28Å
405	L	93.9	Very high	94.5	Very high	71 Å²	71	43.9 Å²	43.9	37%	0.372	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-82.2	-9.3	176.2	-59.3	177.8	0	0	0	112.5	Q402 P403	Q402-L405 HydrophobicContact CB-CD1 4.12Å; Q402-L405 HydrophobicContact CB-CG 4.24Å; Q402-L405 WeakPolarHBondContact O-CB 3.4Å; Q402-L405 PolarHBondContact O-N 3.07Å; P403-L405 PolarHBondContact O-N 3.23Å; P403-L405 VanDerWaalsContact O-N 3.13Å
406	F	91.3	Very high	94.5	Very high	16 Å²	16	43.5 Å²	43.5	7%	0.07	22%	0.223	C	C	.	.			trans	-92.6	130.4	176	-63	-93.3	0	0	0	109.6	M397 M401 Q402 P403 H404 V411 L412 Q415	M397-F406 HydrophobicContact CE-CE2 4.46Å; M401-F406 HydrophobicContact CB-CE2 3.74Å; M401-F406 HydrophobicContact CB-CZ 3.75Å; M401-F406 HydrophobicContact CE-CE2 4.41Å; M401-F406 HydrophobicContact CE-CZ 3.99Å; M401-F406 HydrophobicContact SD-CZ 4Å; Q402-F406 WeakPolarHBondContact O-CD2 3.38Å; P403-F406 PolarHBondContact O-N 3.12Å; P403-F406 VanDerWaalsContact O-N 3.08Å; H404-F406 VanDerWaalsContact C-N 3.28Å; F406-V411 HydrophobicContact CD1-CB 4.44Å; F406-V411 HydrophobicContact CD1-CG1 3.95Å; F406-V411 HydrophobicContact CE1-CG1 4.09Å; F406-L412 HydrophobicContact CB-CB 4.11Å; F406-L412 HydrophobicContact CB-CD1 4.34Å; F406-L412 HydrophobicContact CD1-CB 4.32Å; F406-L412 HydrophobicContact CD1-CD1 4.45Å; F406-L412 HydrophobicContact CD2-CD1 3.6Å; F406-L412 HydrophobicContact CE2-CD1 3.94Å; F406-L412 HydrophobicContact CG-CB 4.14Å; F406-L412 HydrophobicContact CG-CD1 3.88Å; F406-Q415 HydrophobicContact CE1-CG 3.88Å; F406-Q415 HydrophobicContact CZ-CG 4.03Å
407	H	83.5	Confident	94.5	Very high	101 Å²	101	47.9 Å²	47.9	47%	0.468	25%	0.246	S	C	.	.	S	Bend	trans	-96.8	-20.6	177.6	-60.1	-75.6	0	0	0	111.9	Q449 E605	H407-Q449 PolarHBondContact O-NE2 3.5Å; H407-E605 IonicContact CE1-OE1 3.42Å; H407-E605 IonicContact CG-OE1 3.35Å; H407-E605 VanDerWaalsContact ND1-CD 3.3Å; H407-E605 IonicContact ND1-OE1 3.62Å; H407-E605 PolarHBondContact ND1-OE1 2.98Å
408	N	87.4	Confident	94.6	Very high	83 Å²	83	50.8 Å²	50.8	44%	0.444	26%	0.262	S	S	.	.			trans	-121.4	117.9	-176	-172.3	-29.5	0	0	0	110.5	S410 V411 L412	N408-S410 PolarHBondContact O-N 2.98Å; N408-S410 VanDerWaalsContact O-N 3.14Å; N408-S410 VanDerWaalsContact OD1-CB 3.27Å; N408-S410 WeakPolarHBondContact OD1-CB 3.37Å; N408-S410 PolarHBondContact OD1-N 3.14Å; N408-S410 PolarHBondContact OD1-OG 3.49Å; N408-V411 HydrophobicContact CB-CG2 4.06Å; N408-V411 PolarHBondContact O-N 3.44Å; N408-V411 VanDerWaalsContact O-N 3.11Å; N408-L412 PolarHBondContact O-N 3.21Å
409	Q	91.1	Very high	94.7	Very high	65 Å²	65	48.1 Å²	48.1	30%	0.304	25%	0.251	S	S	.	.	H	α-helix	trans	-54	-33.2	177.4	-176	-175	-19.3	0	0	113	L412 A413 Q449	Q409-L412 PolarHBondContact O-N 3.08Å; Q409-A413 WeakPolarHBondContact O-CB 3.25Å; Q409-A413 PolarHBondContact O-N 3.24Å; Q409-Q449 HydrophobicContact CB-CB 4.02Å; Q409-Q449 HydrophobicContact CB-CG 4.12Å; Q409-Q449 HydrophobicContact CG-CB 4.21Å
410	S	94.6	Very high	94.8	Very high	82 Å²	82	49.5 Å²	49.5	57%	0.573	26%	0.255	S	S	*	.	H	α-helix	trans	-66.5	-41.6	-179.6	-53.8	0	0	0	0	111.7	N408 A413 E414	N408-S410 PolarHBondContact O-N 2.98Å; N408-S410 VanDerWaalsContact O-N 3.14Å; N408-S410 VanDerWaalsContact OD1-CB 3.27Å; N408-S410 WeakPolarHBondContact OD1-CB 3.37Å; N408-S410 PolarHBondContact OD1-N 3.14Å; N408-S410 PolarHBondContact OD1-OG 3.49Å; S410-A413 PolarHBondContact O-N 3.09Å; S410-E414 WeakPolarHBondContact O-CB 3.42Å; S410-E414 PolarHBondContact O-N 3.42Å
411	V	94.3	Very high	94.9	Very high	64 Å²	64	53.6 Å²	53.6	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-67.4	-42.2	177.1	-179.8	0	0	0	0	110.5	F406 N408 A413 E414 Q415	F406-V411 HydrophobicContact CD1-CB 4.44Å; F406-V411 HydrophobicContact CD1-CG1 3.95Å; F406-V411 HydrophobicContact CE1-CG1 4.09Å; N408-V411 HydrophobicContact CB-CG2 4.06Å; N408-V411 PolarHBondContact O-N 3.44Å; N408-V411 VanDerWaalsContact O-N 3.11Å; V411-A413 VanDerWaalsContact C-N 3.32Å; V411-A413 PolarHBondContact O-N 3.39Å; V411-E414 PolarHBondContact O-N 2.88Å; V411-Q415 PolarHBondContact O-N 3.1Å; V411-Q415 VanDerWaalsContact O-N 3.07Å
412	L	95	Very high	95	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-44.4	174.5	-179.2	66.5	0	0	0	111.3	M397 P403 F406 N408 Q409 Q415 M416 Q449 L450 A453	M397-L412 HydrophobicContact CE-CD1 3.38Å; M397-L412 HydrophobicContact SD-CD1 4.47Å; P403-L412 HydrophobicContact CB-CD1 4.37Å; F406-L412 HydrophobicContact CB-CB 4.11Å; F406-L412 HydrophobicContact CB-CD1 4.34Å; F406-L412 HydrophobicContact CD1-CB 4.32Å; F406-L412 HydrophobicContact CD1-CD1 4.45Å; F406-L412 HydrophobicContact CD2-CD1 3.6Å; F406-L412 HydrophobicContact CE2-CD1 3.94Å; F406-L412 HydrophobicContact CG-CB 4.14Å; F406-L412 HydrophobicContact CG-CD1 3.88Å; N408-L412 PolarHBondContact O-N 3.21Å; Q409-L412 PolarHBondContact O-N 3.08Å; L412-Q415 PolarHBondContact O-N 3.18Å; L412-M416 HydrophobicContact CD1-CE 4.1Å; L412-M416 HydrophobicContact CD2-CE 4.25Å; L412-M416 HydrophobicContact CG-CE 3.89Å; L412-M416 WeakPolarHBondContact O-CG 3.45Å; L412-M416 PolarHBondContact O-N 3.18Å; L412-M416 VanDerWaalsContact O-N 3.17Å; L412-Q449 HydrophobicContact CD2-CB 4.38Å; L412-L450 HydrophobicContact CD2-CB 4.4Å; L412-L450 HydrophobicContact CD2-CD1 4.48Å; L412-A453 HydrophobicContact CD2-CB 4.13Å; L412-A453 HydrophobicContact CG-CB 4.28Å
413	A	97.2	Very high	95.1	Very high	11 Å²	11	48 Å²	48	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-36.2	177.1	0	0	0	0	0	112.6	Q409 S410 V411 M416 L417 A453 V457	Q409-A413 WeakPolarHBondContact O-CB 3.25Å; Q409-A413 PolarHBondContact O-N 3.24Å; S410-A413 PolarHBondContact O-N 3.09Å; V411-A413 VanDerWaalsContact C-N 3.32Å; V411-A413 PolarHBondContact O-N 3.39Å; A413-M416 WeakPolarHBondContact O-CB 3.48Å; A413-M416 PolarHBondContact O-N 3.13Å; A413-L417 WeakPolarHBondContact O-CG 3.33Å; A413-L417 PolarHBondContact O-N 3.04Å; A413-A453 HydrophobicContact CB-CB 4.33Å; A413-V457 HydrophobicContact CB-CG2 3.9Å
414	E	96.6	Very high	95.3	Very high	122 Å²	122	53.5 Å²	53.5	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-64.9	-42.5	176.8	-162.4	173.1	-151.4	0	0	111.8	S410 V411 M416 L417 L418	S410-E414 WeakPolarHBondContact O-CB 3.42Å; S410-E414 PolarHBondContact O-N 3.42Å; V411-E414 PolarHBondContact O-N 2.88Å; E414-M416 VanDerWaalsContact C-N 3.29Å; E414-M416 PolarHBondContact O-N 2.87Å; E414-L417 WeakPolarHBondContact O-CB 3.12Å; E414-L417 PolarHBondContact O-N 3.36Å; E414-L417 VanDerWaalsContact O-N 3.15Å; E414-L418 PolarHBondContact O-N 3.39Å; E414-L418 VanDerWaalsContact O-N 3.08Å
415	Q	96.4	Very high	95.5	Very high	36 Å²	36	59 Å²	59	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-41.2	170.7	-68	-62.7	-62.1	0	0	111.7	M397 W398 S399 F406 V411 L412 L417 L418 N419	M397-Q415 HydrophobicContact CE-CB 4.21Å; W398-Q415 WeakPolarHBondContact CB-O 3.44Å; S399-Q415 PolarHBondContact OG-OE1 3.44Å; F406-Q415 HydrophobicContact CE1-CG 3.88Å; F406-Q415 HydrophobicContact CZ-CG 4.03Å; V411-Q415 PolarHBondContact O-N 3.1Å; V411-Q415 VanDerWaalsContact O-N 3.07Å; L412-Q415 PolarHBondContact O-N 3.18Å; Q415-L417 VanDerWaalsContact C-N 3.34Å; Q415-L417 PolarHBondContact O-N 3.34Å; Q415-L418 PolarHBondContact O-N 2.63Å; Q415-N419 PolarHBondContact O-N 3.03Å
416	M	97.7	Very high	95.7	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-36.4	176.4	-70.9	-179.2	-170.6	0	0	112.7	M397 L412 A413 E414 N419 K420 L450 A453 W454 V457	M397-M416 HydrophobicContact CE-CE 4.23Å; M397-M416 HydrophobicContact CE-CG 4.18Å; M397-M416 HydrophobicContact SD-CE 3.67Å; M397-M416 HydrophobicContact SD-CG 3.82Å; L412-M416 HydrophobicContact CD1-CE 4.1Å; L412-M416 HydrophobicContact CD2-CE 4.25Å; L412-M416 HydrophobicContact CG-CE 3.89Å; L412-M416 WeakPolarHBondContact O-CG 3.45Å; L412-M416 PolarHBondContact O-N 3.18Å; L412-M416 VanDerWaalsContact O-N 3.17Å; A413-M416 WeakPolarHBondContact O-CB 3.48Å; A413-M416 PolarHBondContact O-N 3.13Å; E414-M416 VanDerWaalsContact C-N 3.29Å; E414-M416 PolarHBondContact O-N 2.87Å; M416-N419 PolarHBondContact O-N 3.41Å; M416-K420 WeakPolarHBondContact O-CB 3.2Å; M416-K420 PolarHBondContact O-N 3.3Å; M416-L450 HydrophobicContact CE-CD1 3.61Å; M416-A453 HydrophobicContact CE-CB 3.87Å; M416-A453 HydrophobicContact SD-CB 3.75Å; M416-W454 VanDerWaalsContact CE-CD1 3.4Å; M416-W454 HydrophobicContact CE-CG 4.3Å; M416-V457 HydrophobicContact CB-CB 4.12Å; M416-V457 HydrophobicContact CB-CG1 3.75Å; M416-V457 HydrophobicContact CB-CG2 4.21Å; M416-V457 HydrophobicContact SD-CB 4.49Å
417	L	98.4	Very high	96	Very high	95 Å²	95	60.6 Å²	60.6	50%	0.497	32%	0.318	S	S	.	.	H	α-helix	trans	-65.9	-38.5	177.7	-75.9	167.5	0	0	0	112.1	A413 E414 Q415 K420 K421 V457	A413-L417 WeakPolarHBondContact O-CG 3.33Å; A413-L417 PolarHBondContact O-N 3.04Å; E414-L417 WeakPolarHBondContact O-CB 3.12Å; E414-L417 PolarHBondContact O-N 3.36Å; E414-L417 VanDerWaalsContact O-N 3.15Å; Q415-L417 VanDerWaalsContact C-N 3.34Å; Q415-L417 PolarHBondContact O-N 3.34Å; L417-K420 PolarHBondContact O-N 3.09Å; L417-K421 WeakPolarHBondContact O-CB 3.43Å; L417-K421 PolarHBondContact O-N 2.98Å; L417-V457 HydrophobicContact CD2-CG1 3.84Å; L417-V457 HydrophobicContact CG-CG1 4.01Å; L417-V457 HydrophobicContact CG-CG2 4.34Å
418	L	98.4	Very high	96.7	Very high	70 Å²	70	56 Å²	56	37%	0.366	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-47.7	173.6	-67.7	173.4	0	0	0	111.4	W398 E414 Q415 K420 K421 F422	W398-L418 HydrophobicContact CB-CB 4.18Å; W398-L418 HydrophobicContact CD2-CB 3.75Å; W398-L418 HydrophobicContact CE3-CB 4.16Å; W398-L418 HydrophobicContact CG-CB 3.77Å; W398-L418 HydrophobicContact CG-CD1 4.19Å; E414-L418 PolarHBondContact O-N 3.39Å; E414-L418 VanDerWaalsContact O-N 3.08Å; Q415-L418 PolarHBondContact O-N 2.63Å; L418-K420 VanDerWaalsContact C-N 3.28Å; L418-K420 PolarHBondContact O-N 2.91Å; L418-K421 PolarHBondContact O-N 3.48Å; L418-F422 PolarHBondContact O-N 2.92Å
419	N	98.4	Very high	97.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-33.7	177.6	-152	42.5	0	0	0	112.2	F365 G367 M397 W398 Q415 M416 A423 W458	F365-N419 WeakPolarHBondContact CE2-ND2 3.47Å; F365-N419 PolarHBondContact O-ND2 3.28Å; G367-N419 PolarHBondContact N-OD1 3.39Å; M397-N419 PolarHBondContact O-ND2 3.19Å; W398-N419 HydrophobicContact CB-CB 4.01Å; W398-N419 HydrophobicContact CE3-CB 4.24Å; Q415-N419 PolarHBondContact O-N 3.03Å; M416-N419 PolarHBondContact O-N 3.41Å; N419-A423 PolarHBondContact O-N 3.43Å; N419-W458 HydrophobicContact CB-CZ2 4.16Å
420	K	98.5	Very high	97.4	Very high	47 Å²	47	53 Å²	53	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-68.2	-39.3	175.2	-165.3	177.5	-173.5	-175.1	0	112.4	M416 L417 L418 A423 M424 T430 V457 W458	M416-K420 WeakPolarHBondContact O-CB 3.2Å; M416-K420 PolarHBondContact O-N 3.3Å; L417-K420 PolarHBondContact O-N 3.09Å; L418-K420 VanDerWaalsContact C-N 3.28Å; L418-K420 PolarHBondContact O-N 2.91Å; K420-A423 WeakPolarHBondContact O-CB 3.49Å; K420-A423 PolarHBondContact O-N 3.47Å; K420-M424 HydrophobicContact CD-CE 4.27Å; K420-M424 HydrophobicContact CG-CE 4.12Å; K420-M424 WeakPolarHBondContact O-CG 3.47Å; K420-M424 PolarHBondContact O-N 3.35Å; K420-T430 HydrophobicContact CG-CG2 4.07Å; K420-V457 HydrophobicContact CD-CG1 4.18Å; K420-V457 WeakPolarHBondContact CD-O 3.46Å; K420-V457 WeakPolarHBondContact CE-O 3.31Å; K420-V457 PolarHBondContact NZ-O 3.23Å; K420-W458 VanDerWaalsContact CA-CZ2 3.47Å; K420-W458 HydrophobicContact CB-CH2 3.62Å; K420-W458 HydrophobicContact CB-CZ2 3.5Å; K420-W458 HydrophobicContact CB-CZ3 4.19Å; K420-W458 HydrophobicContact CD-CD2 4.49Å; K420-W458 HydrophobicContact CD-CE3 4.41Å; K420-W458 HydrophobicContact CG-CD2 4.5Å; K420-W458 HydrophobicContact CG-CE3 4.2Å; K420-W458 HydrophobicContact CG-CH2 3.83Å; K420-W458 HydrophobicContact CG-CZ2 4.1Å; K420-W458 HydrophobicContact CG-CZ3 3.87Å
421	K	98.6	Very high	97.3	Very high	122 Å²	122	55.6 Å²	55.6	53%	0.53	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-48.2	175.2	-179	177.3	169.5	-179	0	110.8	L417 L418 A423 M424 E425	L417-K421 WeakPolarHBondContact O-CB 3.43Å; L417-K421 PolarHBondContact O-N 2.98Å; L418-K421 PolarHBondContact O-N 3.48Å; K421-A423 VanDerWaalsContact C-N 3.28Å; K421-A423 PolarHBondContact O-N 3.4Å; K421-M424 WeakPolarHBondContact O-CB 3.41Å; K421-M424 PolarHBondContact O-N 3.06Å; K421-M424 VanDerWaalsContact O-N 3.11Å; K421-E425 WeakPolarHBondContact CE-OE1 3.5Å; K421-E425 IonicContact NZ-OE1 2.89Å; K421-E425 WeakPolarHBondContact O-CG 3.41Å; K421-E425 PolarHBondContact O-N 3.45Å
422	F	98.6	Very high	97.4	Very high	12 Å²	12	55 Å²	55	5%	0.053	29%	0.288	C	S	.	.	H	α-helix	trans	-54.5	-45.2	174	175.5	-89.2	0	0	0	112	F329 F365 F370 W398 L418 M424 E425 H426 I428	F329-F422 HydrophobicContact CD2-CE1 4.35Å; F329-F422 HydrophobicContact CD2-CZ 4.37Å; F329-F422 AromaticContact CE2-CE1 3.89Å; F329-F422 HydrophobicContact CE2-CE1 3.89Å; F329-F422 HydrophobicContact CE2-CZ 4Å; F365-F422 HydrophobicContact CD2-CD1 4.15Å; F365-F422 HydrophobicContact CD2-CE1 4.34Å; F365-F422 HydrophobicContact CE2-CD1 4.13Å; F370-F422 HydrophobicContact CB-CE2 3.68Å; F370-F422 HydrophobicContact CB-CZ 3.76Å; F370-F422 AromaticContact CD1-CE2 3.99Å; F370-F422 HydrophobicContact CD1-CE2 3.99Å; F370-F422 HydrophobicContact CD1-CZ 4.3Å; F370-F422 HydrophobicContact CD2-CZ 4.09Å; F370-F422 AromaticContact CG-CE2 3.84Å; F370-F422 HydrophobicContact CG-CE2 3.84Å; F370-F422 AromaticContact CG-CZ 3.79Å; F370-F422 HydrophobicContact CG-CZ 3.79Å; W398-F422 HydrophobicContact CZ3-CB 3.82Å; W398-F422 HydrophobicContact CZ3-CD2 4.33Å; W398-F422 HydrophobicContact CZ3-CG 4.22Å; L418-F422 PolarHBondContact O-N 2.92Å; F422-M424 VanDerWaalsContact C-N 3.34Å; F422-M424 PolarHBondContact O-N 3.08Å; F422-E425 PolarHBondContact O-N 3.04Å; F422-H426 AromaticContact CD2-CE1 3.55Å; F422-H426 AromaticContact CD2-ND1 3.6Å; F422-H426 AromaticContact CE2-CE1 3.3Å; F422-H426 WeakPolarHBondContact CE2-CE1 3.4Å; F422-H426 AromaticContact CE2-ND1 3.5Å; F422-H426 WeakPolarHBondContact CE2-ND1 3.26Å; F422-H426 AromaticContact CE2-NE2 3.98Å; F422-H426 AromaticContact CG-ND1 3.93Å; F422-H426 AromaticContact CZ-CE1 3.89Å; F422-H426 AromaticContact CZ-ND1 3.73Å; F422-H426 PolarHBondContact O-N 3.39Å; F422-H426 VanDerWaalsContact O-N 3.11Å; F422-H426 PolarHBondContact O-ND1 3.01Å; F422-I428 HydrophobicContact CE1-CD1 4.11Å
423	A	98.5	Very high	97.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-43.8	177.6	0	0	0	0	0	112.4	F365 N419 K420 K421 H426 G427 I428 T430 W458	F365-A423 HydrophobicContact CE2-CB 4Å; F365-A423 HydrophobicContact CZ-CB 3.68Å; N419-A423 PolarHBondContact O-N 3.43Å; K420-A423 WeakPolarHBondContact O-CB 3.49Å; K420-A423 PolarHBondContact O-N 3.47Å; K421-A423 VanDerWaalsContact C-N 3.28Å; K421-A423 PolarHBondContact O-N 3.4Å; A423-H426 PolarHBondContact O-N 3.2Å; A423-G427 PolarHBondContact O-N 3.48Å; A423-I428 HydrophobicContact CB-CB 3.91Å; A423-I428 HydrophobicContact CB-CG2 4.24Å; A423-I428 PolarHBondContact O-N 3.28Å; A423-T430 HydrophobicContact CB-CG2 3.87Å; A423-W458 HydrophobicContact CB-CH2 4.27Å
424	M	98.3	Very high	97.5	Very high	115 Å²	115	55 Å²	55	57%	0.567	29%	0.288	S	S	*	.	H	α-helix	trans	-64.3	-42.5	177.3	-69.7	174	172.1	0	0	112.4	K420 K421 F422 H426 G427 T430	K420-M424 HydrophobicContact CD-CE 4.27Å; K420-M424 HydrophobicContact CG-CE 4.12Å; K420-M424 WeakPolarHBondContact O-CG 3.47Å; K420-M424 PolarHBondContact O-N 3.35Å; K421-M424 WeakPolarHBondContact O-CB 3.41Å; K421-M424 PolarHBondContact O-N 3.06Å; K421-M424 VanDerWaalsContact O-N 3.11Å; F422-M424 VanDerWaalsContact C-N 3.34Å; F422-M424 PolarHBondContact O-N 3.08Å; M424-H426 VanDerWaalsContact C-N 3.27Å; M424-H426 PolarHBondContact O-N 3.49Å; M424-G427 PolarHBondContact O-N 3.38Å; M424-T430 HydrophobicContact CE-CG2 4.39Å; M424-T430 HydrophobicContact CG-CG2 4.02Å
425	E	98.3	Very high	97.6	Very high	125 Å²	125	49.2 Å²	49.2	58%	0.584	26%	0.261	S	S	*	.	H	α-helix	trans	-63.4	-33.2	179.7	-72.5	170.1	171.5	0	0	112.3	K421 F422	K421-E425 WeakPolarHBondContact CE-OE1 3.5Å; K421-E425 IonicContact NZ-OE1 2.89Å; K421-E425 WeakPolarHBondContact O-CG 3.41Å; K421-E425 PolarHBondContact O-N 3.45Å; F422-E425 PolarHBondContact O-N 3.04Å
426	H	98.1	Very high	97.6	Very high	68 Å²	68	47.5 Å²	47.5	32%	0.315	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	11.7	-179.1	-60.2	84.1	0	0	0	113.6	F370 L385 F422 A423 M424 I428	F370-H426 AromaticContact CE1-NE2 4Å; L385-H426 HydrophobicContact CD1-CB 4.11Å; L385-H426 HydrophobicContact CD2-CB 4.31Å; F422-H426 AromaticContact CD2-CE1 3.55Å; F422-H426 AromaticContact CD2-ND1 3.6Å; F422-H426 AromaticContact CE2-CE1 3.3Å; F422-H426 WeakPolarHBondContact CE2-CE1 3.4Å; F422-H426 AromaticContact CE2-ND1 3.5Å; F422-H426 WeakPolarHBondContact CE2-ND1 3.26Å; F422-H426 AromaticContact CE2-NE2 3.98Å; F422-H426 AromaticContact CG-ND1 3.93Å; F422-H426 AromaticContact CZ-CE1 3.89Å; F422-H426 AromaticContact CZ-ND1 3.73Å; F422-H426 PolarHBondContact O-N 3.39Å; F422-H426 VanDerWaalsContact O-N 3.11Å; F422-H426 PolarHBondContact O-ND1 3.01Å; A423-H426 PolarHBondContact O-N 3.2Å; M424-H426 VanDerWaalsContact C-N 3.27Å; M424-H426 PolarHBondContact O-N 3.49Å; H426-I428 HydrophobicContact CB-CG1 4.47Å; H426-I428 PolarHBondContact O-N 3.37Å
427	G	97.9	Very high	97.6	Very high	53 Å²	53	47.5 Å²	47.5	55%	0.546	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	13.2	176.5	0	0	0	0	0	115.7	V388 A423 M424	V388-G427 WeakPolarHBondContact CG1-O 3.39Å; A423-G427 PolarHBondContact O-N 3.48Å; M424-G427 PolarHBondContact O-N 3.38Å
428	I	98.4	Very high	97.5	Very high	5 Å²	5	43 Å²	43	3%	0.026	23%	0.23	C	C	.	.			trans	-69.3	129.7	176.5	-61.3	173.9	0	0	0	109.7	F365 L385 V388 W393 F422 A423 H426 T430	F365-I428 HydrophobicContact CD1-CG2 4.39Å; F365-I428 HydrophobicContact CD2-CD1 4.37Å; F365-I428 HydrophobicContact CE1-CG2 3.86Å; F365-I428 HydrophobicContact CE2-CD1 4.46Å; F365-I428 HydrophobicContact CG-CD1 4.45Å; F365-I428 HydrophobicContact CZ-CG2 4.19Å; L385-I428 HydrophobicContact CD2-CD1 3.9Å; L385-I428 HydrophobicContact CD2-CG1 4.21Å; V388-I428 HydrophobicContact CG2-CG1 4.04Å; W393-I428 HydrophobicContact CB-CG2 3.58Å; W393-I428 HydrophobicContact CD2-CG1 4.44Å; W393-I428 HydrophobicContact CD2-CG2 3.87Å; W393-I428 HydrophobicContact CE3-CD1 4.08Å; W393-I428 HydrophobicContact CE3-CG1 4.46Å; W393-I428 HydrophobicContact CE3-CG2 4.11Å; W393-I428 HydrophobicContact CG-CG2 3.65Å; W393-I428 HydrophobicContact CZ3-CD1 4.08Å; F422-I428 HydrophobicContact CE1-CD1 4.11Å; A423-I428 HydrophobicContact CB-CB 3.91Å; A423-I428 HydrophobicContact CB-CG2 4.24Å; A423-I428 PolarHBondContact O-N 3.28Å; H426-I428 HydrophobicContact CB-CG1 4.47Å; H426-I428 PolarHBondContact O-N 3.37Å; I428-T430 PolarHBondContact O-N 2.97Å
429	P	96.7	Very high	97.3	Very high	48 Å²	48	43.7 Å²	43.7	31%	0.312	23%	0.231	S	C	.	.			trans	-59.8	125.4	-179.7	-24.9	33.9	0	0	0	113.5	M432	P429-M432 HydrophobicContact CB-CG 4.08Å; P429-M432 HydrophobicContact CB-SD 4.37Å
430	T	95.8	Very high	97.2	Very high	37 Å²	37	43.9 Å²	43.9	23%	0.227	23%	0.232	C	C	.	.	S	Bend	trans	-98.8	3.4	-179.2	64.7	0	0	0	0	114.6	K420 A423 M424 I428 W458	K420-T430 HydrophobicContact CG-CG2 4.07Å; A423-T430 HydrophobicContact CB-CG2 3.87Å; M424-T430 HydrophobicContact CE-CG2 4.39Å; M424-T430 HydrophobicContact CG-CG2 4.02Å; I428-T430 PolarHBondContact O-N 2.97Å; T430-W458 HydrophobicContact CG2-CZ3 4.01Å
431	N	94.1	Very high	97	Very high	136 Å²	136	41.6 Å²	41.6	73%	0.727	22%	0.222	S	C	*	.			trans	-118	17.2	-171.4	66.5	-24.5	0	0	0	113.8	G433	N431-G433 PolarHBondContact O-N 3.47Å
432	M	94.6	Very high	96.8	Very high	53 Å²	53	35.9 Å²	35.9	26%	0.261	20%	0.197	S	C	.	.	S	Bend	trans	-66.2	-21.9	-179.9	-66	-62.9	-76.3	0	0	113.3	W392 W393 P429 Y434	W392-M432 HydrophobicContact CB-CE 3.83Å; W392-M432 HydrophobicContact CD2-CE 4.37Å; W392-M432 HydrophobicContact CG-CE 3.66Å; W393-M432 WeakPolarHBondContact O-CG 3.41Å; P429-M432 HydrophobicContact CB-CG 4.08Å; P429-M432 HydrophobicContact CB-SD 4.37Å; M432-Y434 PolarHBondContact O-N 3.26Å
433	G	96.6	Very high	96.7	Very high	8 Å²	8	35.3 Å²	35.3	8%	0.082	20%	0.195	C	C	.	.			trans	69.8	13.3	176.6	0	0	0	0	0	114.7	N431 K461 V462	N431-G433 PolarHBondContact O-N 3.47Å; G433-K461 PolarHBondContact O-N 3Å; G433-V462 PolarHBondContact O-N 2.86Å
434	Y	98.4	Very high	96.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.3	176.3	-176.7	-117	0	0	0	110.4	D324 N362 F394 P395 M432 V436 V462 S464 P570	D324-Y434 WeakPolarHBondContact OD2-CE1 3.43Å; D324-Y434 PolarHBondContact OD2-OH 3.14Å; N362-Y434 WeakPolarHBondContact ND2-CD1 3.45Å; N362-Y434 VanDerWaalsContact ND2-CE1 3.27Å; N362-Y434 WeakPolarHBondContact ND2-CE1 3.43Å; F394-Y434 HydrophobicContact CB-CD1 3.76Å; F394-Y434 HydrophobicContact CB-CE1 4.45Å; F394-Y434 WeakPolarHBondContact CB-O 3.24Å; F394-Y434 AromaticContact CD1-CD1 3.92Å; F394-Y434 HydrophobicContact CD1-CD1 3.92Å; F394-Y434 AromaticContact CD1-CE1 3.93Å; F394-Y434 HydrophobicContact CD1-CE1 3.93Å; F394-Y434 HydrophobicContact CE1-CE1 4.25Å; F394-Y434 AromaticContact CG-CD1 3.88Å; F394-Y434 HydrophobicContact CG-CD1 3.88Å; F394-Y434 HydrophobicContact CG-CE1 4.08Å; P395-Y434 WeakPolarHBondContact CD-O 3.23Å; M432-Y434 PolarHBondContact O-N 3.26Å; Y434-V436 HydrophobicContact CE1-CG2 3.82Å; Y434-V436 HydrophobicContact CE2-CG2 4.48Å; Y434-V436 WeakPolarHBondContact OH-CG2 3.38Å; Y434-V462 VanDerWaalsContact CA-O 3.31Å; Y434-V462 WeakPolarHBondContact CA-O 3.28Å; Y434-V462 HydrophobicContact CD2-CB 3.98Å; Y434-V462 HydrophobicContact CD2-CG1 3.79Å; Y434-V462 WeakPolarHBondContact CD2-O 3.1Å; Y434-V462 HydrophobicContact CE2-CG1 4.07Å; Y434-S464 WeakPolarHBondContact OH-CB 3.35Å; Y434-S464 PolarHBondContact OH-OG 3.44Å; Y434-P570 HydrophobicContact CD1-CB 4.19Å; Y434-P570 HydrophobicContact CD1-CG 3.82Å; Y434-P570 HydrophobicContact CD2-CB 3.6Å; Y434-P570 HydrophobicContact CD2-CG 4.17Å; Y434-P570 HydrophobicContact CE1-CG 4.37Å; Y434-P570 HydrophobicContact CE2-CB 4.21Å; Y434-P570 HydrophobicContact CG-CB 3.57Å; Y434-P570 HydrophobicContact CG-CG 3.7Å
435	A	98.1	Very high	96.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.7	173.3	0	0	0	0	0	110.1	P395 W454 I460 V462 T463	P395-A435 HydrophobicContact CG-CB 3.85Å; A435-W454 HydrophobicContact CB-CD2 4.46Å; A435-W454 HydrophobicContact CB-CZ2 4.02Å; A435-I460 HydrophobicContact CB-CD1 3.62Å; A435-I460 HydrophobicContact CB-CG1 3.79Å; A435-I460 HydrophobicContact CB-CG2 4.18Å; A435-V462 PolarHBondContact N-O 3.25Å; A435-T463 VanDerWaalsContact O-CA 3.28Å; A435-T463 WeakPolarHBondContact O-CA 3.4Å; A435-T463 VanDerWaalsContact O-CB 3.28Å; A435-T463 WeakPolarHBondContact O-CB 3.38Å; A435-T463 PolarHBondContact O-OG1 2.93Å
436	V	97.8	Very high	96.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	14%	0.144	C	C	.	.			trans	-135.2	132.3	170.6	-178.3	0	0	0	0	106.5	F394 H396 Y434 R490	F394-V436 HydrophobicContact CD2-CB 4.09Å; F394-V436 HydrophobicContact CD2-CG2 3.96Å; F394-V436 HydrophobicContact CE2-CB 3.74Å; F394-V436 HydrophobicContact CE2-CG2 3.68Å; F394-V436 HydrophobicContact CZ-CG2 4.22Å; H396-V436 PolarHBondContact ND1-O 3.35Å; Y434-V436 HydrophobicContact CE1-CG2 3.82Å; Y434-V436 HydrophobicContact CE2-CG2 4.48Å; Y434-V436 WeakPolarHBondContact OH-CG2 3.38Å; V436-R490 VanDerWaalsContact CG2-NH1 3.32Å
437	A	97.4	Very high	96	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	13%	0.131	C	C	.	.			trans	-80.4	144	174.6	0	0	0	0	0	111.1	P403 H439 H440 S441 V443 L450 W454	P403-A437 HydrophobicContact CG-CB 3.75Å; A437-H439 PolarHBondContact O-N 3.01Å; A437-H440 WeakPolarHBondContact O-CA 3.45Å; A437-H440 PolarHBondContact O-N 2.99Å; A437-S441 VanDerWaalsContact CB-O 3.31Å; A437-S441 WeakPolarHBondContact CB-O 2.86Å; A437-V443 HydrophobicContact CB-CG2 3.93Å; A437-L450 HydrophobicContact CB-CD2 4.06Å; A437-W454 HydrophobicContact CB-CH2 4.19Å; A437-W454 HydrophobicContact CB-CZ2 3.87Å
438	P	96.6	Very high	95.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-47.8	129.7	170	-32.6	38.3	0	0	0	112.2	H396 M397 Q402 H440 S441	H396-P438 WeakPolarHBondContact O-CG 3.31Å; M397-P438 HydrophobicContact CB-CG 3.95Å; M397-P438 VanDerWaalsContact CG-CD 3.42Å; M397-P438 HydrophobicContact CG-CG 3.8Å; Q402-P438 HydrophobicContact CG-CB 4.46Å; P438-H440 PolarHBondContact O-N 3.04Å; P438-H440 VanDerWaalsContact O-N 3.1Å; P438-S441 PolarHBondContact O-N 3.31Å
439	H	94.2	Very high	95.4	Very high	84 Å²	84	23.5 Å²	23.5	39%	0.389	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	55.5	21.1	-176.7	-58.6	-93.4	0	0	0	114.9	H400 Q402 A437 S441 R597	H400-H439 AromaticContact CE1-NE2 3.94Å; Q402-H439 HydrophobicContact CG-CB 4.27Å; Q402-H439 PolarHBondContact NE2-CD2 3.35Å; Q402-H439 PolarHBondContact NE2-NE2 3.32Å; A437-H439 PolarHBondContact O-N 3.01Å; H439-S441 PolarHBondContact O-N 2.99Å; H439-R597 PolarHBondContact O-NH2 3.44Å; H439-R597 VanDerWaalsContact O-NH2 3.08Å
440	H	95.5	Very high	95.4	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.019	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	57	13.2	-174	-55.4	-71	0	0	0	115.3	A437 P438 G442 V443 S464 T465 E467 M534	A437-H440 WeakPolarHBondContact O-CA 3.45Å; A437-H440 PolarHBondContact O-N 2.99Å; P438-H440 PolarHBondContact O-N 3.04Å; P438-H440 VanDerWaalsContact O-N 3.1Å; H440-G442 PolarHBondContact O-N 3.44Å; H440-V443 WeakPolarHBondContact O-CB 3.44Å; H440-V443 PolarHBondContact O-N 2.83Å; H440-S464 PolarHBondContact ND1-O 3.19Å; H440-T465 WeakPolarHBondContact CB-OG1 3.41Å; H440-E467 HydrophobicContact CB-CG 3.92Å; H440-M534 PolarHBondContact NE2-SD 3.46Å
441	S	95.4	Very high	95.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	137.7	-176.1	168.3	0	0	0	0	111.5	P403 H404 A437 P438 H439 V443 I601	P403-S441 WeakPolarHBondContact CD-O 3.43Å; P403-S441 WeakPolarHBondContact CG-O 3.32Å; H404-S441 WeakPolarHBondContact CB-OG 3.49Å; H404-S441 VanDerWaalsContact CG-OG 3.26Å; H404-S441 PolarHBondContact N-OG 3.11Å; H404-S441 PolarHBondContact ND1-OG 3.45Å; A437-S441 VanDerWaalsContact CB-O 3.31Å; A437-S441 WeakPolarHBondContact CB-O 2.86Å; P438-S441 PolarHBondContact O-N 3.31Å; H439-S441 PolarHBondContact O-N 2.99Å; S441-V443 PolarHBondContact O-N 3.13Å; S441-I601 PolarHBondContact OG-O 2.79Å
442	G	94.1	Very high	95.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.01	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-11.2	179.9	0	0	0	0	0	114.2	H440 P445 H447 L450 Y451	H440-G442 PolarHBondContact O-N 3.44Å; G442-P445 CarbonylContact C-O 3.4Å; G442-P445 WeakPolarHBondContact CA-O 3.18Å; G442-H447 PolarHBondContact O-N 3.08Å; G442-L450 VanDerWaalsContact C-CD2 3.48Å; G442-Y451 WeakPolarHBondContact O-CE2 3.31Å
443	V	96.6	Very high	95.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-51	166.5	-172.9	0	0	0	0	109.2	A437 H440 S441 V446 L450 Y451 W454 T463 T465 V487	A437-V443 HydrophobicContact CB-CG2 3.93Å; H440-V443 WeakPolarHBondContact O-CB 3.44Å; H440-V443 PolarHBondContact O-N 2.83Å; S441-V443 PolarHBondContact O-N 3.13Å; V443-V446 WeakPolarHBondContact O-CG2 3.24Å; V443-L450 HydrophobicContact CG2-CD2 4.19Å; V443-Y451 PolarHBondContact O-OH 2.89Å; V443-Y451 VanDerWaalsContact O-OH 3.13Å; V443-W454 HydrophobicContact CG2-CH2 3.58Å; V443-W454 HydrophobicContact CG2-CZ3 4.15Å; V443-T463 HydrophobicContact CG1-CG2 3.77Å; V443-T465 HydrophobicContact CG1-CG2 3.93Å; V443-V487 HydrophobicContact CG1-CG1 3.82Å; V443-V487 HydrophobicContact CG1-CG2 4.46Å
444	Y	95.6	Very high	95.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.8	128.2	168.4	-166.8	-100.3	0	0	0	110.9	V446 E467 Y468 P469 F480 W589 Q590 H598 I601	Y444-V446 HydrophobicContact CD2-CG2 4.48Å; Y444-E467 HydrophobicContact CD1-CB 4.27Å; Y444-E467 WeakPolarHBondContact CD1-O 3.39Å; Y444-Y468 HydrophobicContact CD1-CD2 4.12Å; Y444-Y468 AromaticContact CD2-CD2 3.58Å; Y444-Y468 HydrophobicContact CD2-CD2 3.58Å; Y444-Y468 HydrophobicContact CD2-CE2 4.43Å; Y444-Y468 HydrophobicContact CD2-CG 4.34Å; Y444-Y468 AromaticContact CE1-CD2 3.94Å; Y444-Y468 HydrophobicContact CE1-CD2 3.94Å; Y444-Y468 AromaticContact CE2-CD2 3.41Å; Y444-Y468 HydrophobicContact CE2-CD2 3.41Å; Y444-Y468 VanDerWaalsContact CE2-CD2 3.41Å; Y444-Y468 AromaticContact CE2-CE2 3.94Å; Y444-Y468 HydrophobicContact CE2-CE2 3.94Å; Y444-Y468 AromaticContact CG-CD2 3.93Å; Y444-Y468 HydrophobicContact CG-CD2 3.93Å; Y444-Y468 HydrophobicContact CG-CG 4.35Å; Y444-Y468 AromaticContact CZ-CD2 3.58Å; Y444-P469 WeakPolarHBondContact CE1-O 3.49Å; Y444-F480 HydrophobicContact CD2-CE1 4.41Å; Y444-F480 HydrophobicContact CD2-CZ 4.23Å; Y444-W589 HydrophobicContact CE2-CE3 4.01Å; Y444-W589 HydrophobicContact CE2-CZ3 4.26Å; Y444-Q590 VanDerWaalsContact OH-CB 3.23Å; Y444-Q590 WeakPolarHBondContact OH-CB 3.44Å; Y444-Q590 WeakPolarHBondContact OH-CG 3.48Å; Y444-Q590 PolarHBondContact OH-N 3.09Å; Y444-H598 AromaticContact CD1-CE1 3.82Å; Y444-H598 AromaticContact CD1-NE2 3.9Å; Y444-H598 AromaticContact CE1-CE1 3.47Å; Y444-H598 VanDerWaalsContact CE1-CE1 3.47Å; Y444-H598 WeakPolarHBondContact CE1-CE1 3.28Å; Y444-H598 AromaticContact CE1-ND1 3.83Å; Y444-I601 WeakPolarHBondContact O-CD1 3.37Å
445	P	94.4	Very high	95.6	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.013	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	cis	-56.6	144.2	-7.3	-22.3	33.3	0	0	0	112.2	G442 H447 P592 H598	G442-P445 CarbonylContact C-O 3.4Å; G442-P445 WeakPolarHBondContact CA-O 3.18Å; P445-H447 PolarHBondContact O-N 3.46Å; P445-P592 HydrophobicContact CB-CB 4.35Å; P445-P592 HydrophobicContact CB-CG 4.32Å; P445-P592 HydrophobicContact CG-CB 3.86Å; P445-P592 HydrophobicContact CG-CG 4.3Å; P445-H598 HydrophobicContact CG-CB 3.66Å
446	V	94.3	Very high	95.6	Very high	11 Å²	11	24.3 Å²	24.3	7%	0.067	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	134.6	-173.3	170.4	0	0	0	0	110.5	V443 Y444 M448 Y451 F480 W589 K606	V443-V446 WeakPolarHBondContact O-CG2 3.24Å; Y444-V446 HydrophobicContact CD2-CG2 4.48Å; V446-M448 HydrophobicContact CG1-SD 4.2Å; V446-Y451 HydrophobicContact CB-CE2 4.48Å; V446-Y451 HydrophobicContact CG1-CD2 4.07Å; V446-Y451 HydrophobicContact CG1-CE2 3.84Å; V446-Y451 HydrophobicContact CG2-CE2 4.3Å; V446-F480 HydrophobicContact CG2-CE2 4.15Å; V446-F480 HydrophobicContact CG2-CZ 4.23Å; V446-W589 HydrophobicContact CG2-CH2 4.03Å; V446-W589 HydrophobicContact CG2-CZ3 3.85Å; V446-K606 PolarHBondContact O-NZ 3.18Å
447	H	92.9	Very high	95.6	Very high	11 Å²	11	24.7 Å²	24.7	5%	0.051	12%	0.115	C	C	.	.			trans	-117.1	105.9	167.8	-175.6	56.6	0	0	0	109.2	G442 P445 Q449 L450	G442-H447 PolarHBondContact O-N 3.08Å; P445-H447 PolarHBondContact O-N 3.46Å; H447-Q449 PolarHBondContact NE2-OE1 3.15Å; H447-Q449 PolarHBondContact O-N 2.9Å; H447-Q449 VanDerWaalsContact O-N 3.14Å; H447-L450 VanDerWaalsContact O-CB 3.3Å; H447-L450 WeakPolarHBondContact O-CB 3.33Å; H447-L450 PolarHBondContact O-N 3.2Å
448	M	92.1	Very high	95.5	Very high	49 Å²	49	25.4 Å²	25.4	24%	0.241	12%	0.118	C	C	.	.	H	α-helix	trans	-54.1	-39.2	-171.6	-76.2	-58.8	-61.5	0	0	113.9	V446 L450 Y451 D452 H482 D663	V446-M448 HydrophobicContact CG1-SD 4.2Å; M448-L450 PolarHBondContact O-N 2.85Å; M448-Y451 PolarHBondContact O-N 3.08Å; M448-Y451 VanDerWaalsContact O-N 3.12Å; M448-D452 PolarHBondContact O-N 2.98Å; M448-H482 PolarHBondContact SD-NE2 3.46Å; M448-D663 HydrophobicContact CG-CB 4.3Å
449	Q	93.2	Very high	95.6	Very high	46 Å²	46	27.3 Å²	27.3	22%	0.215	14%	0.137	C	C	.	.	H	α-helix	trans	-59.1	-33.6	179.9	-56.5	-177.2	-8.1	0	0	112.3	H407 Q409 L412 H447 A453	H407-Q449 PolarHBondContact O-NE2 3.5Å; Q409-Q449 HydrophobicContact CB-CB 4.02Å; Q409-Q449 HydrophobicContact CB-CG 4.12Å; Q409-Q449 HydrophobicContact CG-CB 4.21Å; L412-Q449 HydrophobicContact CD2-CB 4.38Å; H447-Q449 PolarHBondContact NE2-OE1 3.15Å; H447-Q449 PolarHBondContact O-N 2.9Å; H447-Q449 VanDerWaalsContact O-N 3.14Å; Q449-A453 WeakPolarHBondContact O-CB 3.32Å; Q449-A453 PolarHBondContact O-N 3.17Å
450	L	96.1	Very high	95.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.4	-50.1	175.6	177.1	62.4	0	0	0	111.2	P403 L412 M416 A437 G442 V443 H447 M448 D452 A453 W454	P403-L450 HydrophobicContact CB-CB 4.24Å; P403-L450 HydrophobicContact CB-CD1 3.9Å; P403-L450 HydrophobicContact CB-CD2 4.04Å; P403-L450 HydrophobicContact CB-CG 4.28Å; P403-L450 HydrophobicContact CG-CD1 3.68Å; P403-L450 HydrophobicContact CG-CD2 3.94Å; P403-L450 HydrophobicContact CG-CG 4.33Å; L412-L450 HydrophobicContact CD2-CB 4.4Å; L412-L450 HydrophobicContact CD2-CD1 4.48Å; M416-L450 HydrophobicContact CE-CD1 3.61Å; A437-L450 HydrophobicContact CB-CD2 4.06Å; G442-L450 VanDerWaalsContact C-CD2 3.48Å; V443-L450 HydrophobicContact CG2-CD2 4.19Å; H447-L450 VanDerWaalsContact O-CB 3.3Å; H447-L450 WeakPolarHBondContact O-CB 3.33Å; H447-L450 PolarHBondContact O-N 3.2Å; M448-L450 PolarHBondContact O-N 2.85Å; L450-D452 VanDerWaalsContact C-N 3.31Å; L450-D452 PolarHBondContact O-N 2.85Å; L450-A453 PolarHBondContact O-N 3.35Å; L450-W454 HydrophobicContact CD1-CD2 3.78Å; L450-W454 VanDerWaalsContact CD1-CE2 3.45Å; L450-W454 HydrophobicContact CD1-CE3 4.35Å; L450-W454 HydrophobicContact CD1-CG 4.16Å; L450-W454 HydrophobicContact CD1-CH2 4.43Å; L450-W454 HydrophobicContact CD1-CZ2 3.83Å; L450-W454 HydrophobicContact CD2-CE3 4.33Å; L450-W454 HydrophobicContact CD2-CH2 3.81Å; L450-W454 HydrophobicContact CD2-CZ2 3.98Å; L450-W454 HydrophobicContact CD2-CZ3 3.96Å; L450-W454 HydrophobicContact CG-CD2 3.85Å; L450-W454 HydrophobicContact CG-CE3 3.92Å; L450-W454 HydrophobicContact CG-CH2 4.17Å; L450-W454 HydrophobicContact CG-CZ2 4.07Å; L450-W454 HydrophobicContact CG-CZ3 4.06Å; L450-W454 VanDerWaalsContact O-CB 3.25Å; L450-W454 WeakPolarHBondContact O-CB 3.35Å; L450-W454 PolarHBondContact O-N 3.45Å
451	Y	96.8	Very high	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-40.9	-178.8	-78.6	-108.5	0	0	0	111.3	G442 V443 V446 M448 K455 H482 I485 V487	G442-Y451 WeakPolarHBondContact O-CE2 3.31Å; V443-Y451 PolarHBondContact O-OH 2.89Å; V443-Y451 VanDerWaalsContact O-OH 3.13Å; V446-Y451 HydrophobicContact CB-CE2 4.48Å; V446-Y451 HydrophobicContact CG1-CD2 4.07Å; V446-Y451 HydrophobicContact CG1-CE2 3.84Å; V446-Y451 HydrophobicContact CG2-CE2 4.3Å; M448-Y451 PolarHBondContact O-N 3.08Å; M448-Y451 VanDerWaalsContact O-N 3.12Å; Y451-K455 WeakPolarHBondContact O-CE 3.28Å; Y451-K455 WeakPolarHBondContact O-CG 3.36Å; Y451-K455 PolarHBondContact O-N 3.13Å; Y451-K455 VanDerWaalsContact O-N 3.08Å; Y451-H482 AromaticContact CD1-CD2 3.96Å; Y451-H482 HydrophobicContact CE1-CB 4.17Å; Y451-H482 AromaticContact CE1-CD2 3.91Å; Y451-I485 HydrophobicContact CD1-CB 3.93Å; Y451-I485 HydrophobicContact CD1-CD1 3.66Å; Y451-I485 HydrophobicContact CD1-CG1 4.02Å; Y451-I485 HydrophobicContact CE1-CB 3.93Å; Y451-I485 HydrophobicContact CE1-CD1 4.34Å; Y451-I485 HydrophobicContact CE1-CG2 4.32Å; Y451-I485 HydrophobicContact CG-CD1 4.28Å; Y451-V487 HydrophobicContact CE1-CG2 4.36Å; Y451-V487 WeakPolarHBondContact OH-CG2 3.48Å
452	D	96.1	Very high	96.1	Very high	49 Å²	49	30 Å²	30	26%	0.262	15%	0.148	S	C	.	.	H	α-helix	trans	-71.9	-41.7	178.8	-68.7	-26.6	0	0	0	112.6	M448 L450 K455 K456	M448-D452 PolarHBondContact O-N 2.98Å; L450-D452 VanDerWaalsContact C-N 3.31Å; L450-D452 PolarHBondContact O-N 2.85Å; D452-K455 PolarHBondContact O-N 3.38Å; D452-K455 VanDerWaalsContact OD1-CE 3.3Å; D452-K455 WeakPolarHBondContact OD1-CE 3.28Å; D452-K455 IonicContact OD1-NZ 3.24Å; D452-K455 PolarHBondContact OD1-NZ 3.31Å; D452-K456 VanDerWaalsContact O-CB 3.28Å; D452-K456 WeakPolarHBondContact O-CB 3.43Å; D452-K456 PolarHBondContact O-N 3.18Å
453	A	97.1	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-42.3	174	0	0	0	0	0	111.8	L412 A413 M416 Q449 L450 K456 V457	L412-A453 HydrophobicContact CD2-CB 4.13Å; L412-A453 HydrophobicContact CG-CB 4.28Å; A413-A453 HydrophobicContact CB-CB 4.33Å; M416-A453 HydrophobicContact CE-CB 3.87Å; M416-A453 HydrophobicContact SD-CB 3.75Å; Q449-A453 WeakPolarHBondContact O-CB 3.32Å; Q449-A453 PolarHBondContact O-N 3.17Å; L450-A453 PolarHBondContact O-N 3.35Å; A453-K456 PolarHBondContact O-N 3.26Å; A453-V457 WeakPolarHBondContact O-CB 3.04Å; A453-V457 WeakPolarHBondContact O-CG2 3.45Å; A453-V457 PolarHBondContact O-N 3.05Å
454	W	97.6	Very high	96.3	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-60.1	-47.5	175.6	-88	-12.4	0	0	0	113.3	M416 A435 A437 V443 L450 W458 G459 I460 T463 I485	M416-W454 VanDerWaalsContact CE-CD1 3.4Å; M416-W454 HydrophobicContact CE-CG 4.3Å; A435-W454 HydrophobicContact CB-CD2 4.46Å; A435-W454 HydrophobicContact CB-CZ2 4.02Å; A437-W454 HydrophobicContact CB-CH2 4.19Å; A437-W454 HydrophobicContact CB-CZ2 3.87Å; V443-W454 HydrophobicContact CG2-CH2 3.58Å; V443-W454 HydrophobicContact CG2-CZ3 4.15Å; L450-W454 HydrophobicContact CD1-CD2 3.78Å; L450-W454 VanDerWaalsContact CD1-CE2 3.45Å; L450-W454 HydrophobicContact CD1-CE3 4.35Å; L450-W454 HydrophobicContact CD1-CG 4.16Å; L450-W454 HydrophobicContact CD1-CH2 4.43Å; L450-W454 HydrophobicContact CD1-CZ2 3.83Å; L450-W454 HydrophobicContact CD2-CE3 4.33Å; L450-W454 HydrophobicContact CD2-CH2 3.81Å; L450-W454 HydrophobicContact CD2-CZ2 3.98Å; L450-W454 HydrophobicContact CD2-CZ3 3.96Å; L450-W454 HydrophobicContact CG-CD2 3.85Å; L450-W454 HydrophobicContact CG-CE3 3.92Å; L450-W454 HydrophobicContact CG-CH2 4.17Å; L450-W454 HydrophobicContact CG-CZ2 4.07Å; L450-W454 HydrophobicContact CG-CZ3 4.06Å; L450-W454 VanDerWaalsContact O-CB 3.25Å; L450-W454 WeakPolarHBondContact O-CB 3.35Å; L450-W454 PolarHBondContact O-N 3.45Å; W454-W458 CarbonylContact O-C 3.55Å; W454-W458 PolarHBondContact O-N 3.17Å; W454-G459 PolarHBondContact O-N 2.76Å; W454-I460 HydrophobicContact CB-CB 3.93Å; W454-I460 HydrophobicContact CB-CG1 3.77Å; W454-I460 HydrophobicContact CD2-CG1 4.48Å; W454-I460 HydrophobicContact CG-CB 4.37Å; W454-I460 HydrophobicContact CG-CG1 3.91Å; W454-I460 PolarHBondContact O-N 3.07Å; W454-T463 HydrophobicContact CH2-CG2 4.37Å; W454-T463 WeakPolarHBondContact CH2-OG1 3.26Å; W454-T463 HydrophobicContact CZ3-CG2 3.92Å; W454-I485 HydrophobicContact CB-CD1 4.37Å; W454-I485 HydrophobicContact CE3-CD1 4.15Å
455	K	96.9	Very high	96.4	Very high	78 Å²	78	30 Å²	30	34%	0.339	15%	0.148	S	C	.	.	H	α-helix	trans	-60.6	-47	174.8	-75.5	176.2	-65.3	179.1	0	111.1	Y451 D452 G459 S483 I485	Y451-K455 WeakPolarHBondContact O-CE 3.28Å; Y451-K455 WeakPolarHBondContact O-CG 3.36Å; Y451-K455 PolarHBondContact O-N 3.13Å; Y451-K455 VanDerWaalsContact O-N 3.08Å; D452-K455 PolarHBondContact O-N 3.38Å; D452-K455 VanDerWaalsContact OD1-CE 3.3Å; D452-K455 WeakPolarHBondContact OD1-CE 3.28Å; D452-K455 IonicContact OD1-NZ 3.24Å; D452-K455 PolarHBondContact OD1-NZ 3.31Å; K455-G459 VanDerWaalsContact O-CA 3.32Å; K455-G459 WeakPolarHBondContact O-CA 3.4Å; K455-G459 PolarHBondContact O-N 3.18Å; K455-G459 VanDerWaalsContact O-N 3.13Å; K455-S483 PolarHBondContact NZ-OG 3.5Å; K455-I485 HydrophobicContact CG-CD1 4.14Å; K455-I485 HydrophobicContact CG-CG1 4.33Å
456	K	96.4	Very high	96.5	Very high	170 Å²	170	30.9 Å²	30.9	74%	0.739	15%	0.152	S	C	*	.	H	α-helix	trans	-68.3	-45.8	-174.8	-176.9	177.1	177.8	-178.1	0	112.9	D452 A453	D452-K456 VanDerWaalsContact O-CB 3.28Å; D452-K456 WeakPolarHBondContact O-CB 3.43Å; D452-K456 PolarHBondContact O-N 3.18Å; A453-K456 PolarHBondContact O-N 3.26Å
457	V	97.7	Very high	96.5	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.055	15%	0.149	C	C	.	.	H	α-helix	trans	-87.2	-44.2	-172.2	-179.3	0	0	0	0	111.6	A413 M416 L417 K420 A453	A413-V457 HydrophobicContact CB-CG2 3.9Å; M416-V457 HydrophobicContact CB-CB 4.12Å; M416-V457 HydrophobicContact CB-CG1 3.75Å; M416-V457 HydrophobicContact CB-CG2 4.21Å; M416-V457 HydrophobicContact SD-CB 4.49Å; L417-V457 HydrophobicContact CD2-CG1 3.84Å; L417-V457 HydrophobicContact CG-CG1 4.01Å; L417-V457 HydrophobicContact CG-CG2 4.34Å; K420-V457 HydrophobicContact CD-CG1 4.18Å; K420-V457 WeakPolarHBondContact CD-O 3.46Å; K420-V457 WeakPolarHBondContact CE-O 3.31Å; K420-V457 PolarHBondContact NZ-O 3.23Å; A453-V457 WeakPolarHBondContact O-CB 3.04Å; A453-V457 WeakPolarHBondContact O-CG2 3.45Å; A453-V457 PolarHBondContact O-N 3.05Å
458	W	97	Very high	96.7	Very high	16 Å²	16	30.3 Å²	30.3	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-113.4	-13.3	-170.1	-70.5	100.8	0	0	0	114.2	F365 P395 N419 K420 A423 T430 W454 I460	F365-W458 AromaticContact CZ-CH2 3.99Å; F365-W458 HydrophobicContact CZ-CH2 3.99Å; P395-W458 HydrophobicContact CB-CD2 4.04Å; P395-W458 HydrophobicContact CB-CE3 4.33Å; P395-W458 HydrophobicContact CB-CH2 3.81Å; P395-W458 HydrophobicContact CB-CZ2 3.51Å; P395-W458 HydrophobicContact CB-CZ3 4.22Å; P395-W458 HydrophobicContact CG-CD2 3.74Å; P395-W458 HydrophobicContact CG-CE3 4Å; P395-W458 HydrophobicContact CG-CG 4.11Å; P395-W458 HydrophobicContact CG-CH2 4.37Å; P395-W458 HydrophobicContact CG-CZ2 4.16Å; P395-W458 HydrophobicContact CG-CZ3 4.3Å; N419-W458 HydrophobicContact CB-CZ2 4.16Å; K420-W458 VanDerWaalsContact CA-CZ2 3.47Å; K420-W458 HydrophobicContact CB-CH2 3.62Å; K420-W458 HydrophobicContact CB-CZ2 3.5Å; K420-W458 HydrophobicContact CB-CZ3 4.19Å; K420-W458 HydrophobicContact CD-CD2 4.49Å; K420-W458 HydrophobicContact CD-CE3 4.41Å; K420-W458 HydrophobicContact CG-CD2 4.5Å; K420-W458 HydrophobicContact CG-CE3 4.2Å; K420-W458 HydrophobicContact CG-CH2 3.83Å; K420-W458 HydrophobicContact CG-CZ2 4.1Å; K420-W458 HydrophobicContact CG-CZ3 3.87Å; A423-W458 HydrophobicContact CB-CH2 4.27Å; T430-W458 HydrophobicContact CG2-CZ3 4.01Å; W454-W458 CarbonylContact O-C 3.55Å; W454-W458 PolarHBondContact O-N 3.17Å; W458-I460 VanDerWaalsContact C-N 3.31Å; W458-I460 HydrophobicContact CB-CD1 3.49Å; W458-I460 VanDerWaalsContact CB-CD1 3.49Å; W458-I460 HydrophobicContact CB-CG1 3.68Å; W458-I460 HydrophobicContact CG-CD1 4.37Å
459	G	97.3	Very high	96.6	Very high	39 Å²	39	28.8 Å²	28.8	40%	0.402	14%	0.142	S	C	.	.			trans	66	33.8	-174.1	0	0	0	0	0	112.9	W454 K455	W454-G459 PolarHBondContact O-N 2.76Å; K455-G459 VanDerWaalsContact O-CA 3.32Å; K455-G459 WeakPolarHBondContact O-CA 3.4Å; K455-G459 PolarHBondContact O-N 3.18Å; K455-G459 VanDerWaalsContact O-N 3.13Å
460	I	98.2	Very high	96.3	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	14%	0.143	C	C	.	.			trans	-63.1	136.7	-178.2	-55.6	-52	0	0	0	110.9	A435 W454 W458 V462 I485	A435-I460 HydrophobicContact CB-CD1 3.62Å; A435-I460 HydrophobicContact CB-CG1 3.79Å; A435-I460 HydrophobicContact CB-CG2 4.18Å; W454-I460 HydrophobicContact CB-CB 3.93Å; W454-I460 HydrophobicContact CB-CG1 3.77Å; W454-I460 HydrophobicContact CD2-CG1 4.48Å; W454-I460 HydrophobicContact CG-CB 4.37Å; W454-I460 HydrophobicContact CG-CG1 3.91Å; W454-I460 PolarHBondContact O-N 3.07Å; W458-I460 VanDerWaalsContact C-N 3.31Å; W458-I460 HydrophobicContact CB-CD1 3.49Å; W458-I460 VanDerWaalsContact CB-CD1 3.49Å; W458-I460 HydrophobicContact CB-CG1 3.68Å; W458-I460 HydrophobicContact CG-CD1 4.37Å; I460-V462 WeakPolarHBondContact CG2-O 3.49Å; I460-I485 HydrophobicContact CB-CD1 4.45Å; I460-I485 HydrophobicContact CG2-CD1 4.36Å; I460-I485 HydrophobicContact CG2-CG2 4.38Å
461	K	98.4	Very high	95.9	Very high	135 Å²	135	31 Å²	31	59%	0.587	15%	0.153	S	C	*	.			trans	-122.6	-20.6	176	-63.7	179.8	-178	177.7	0	112.3	G433 I485 S486 I571	G433-K461 PolarHBondContact O-N 3Å; K461-I485 WeakPolarHBondContact O-CA 3.41Å; K461-S486 PolarHBondContact O-N 3.2Å; K461-I571 HydrophobicContact CB-CD1 4Å
462	V	98.7	Very high	95.4	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.7	180	-176.2	0	0	0	0	110.3	G433 Y434 A435 I460 S486 L488 P570 I571 A574	G433-V462 PolarHBondContact O-N 2.86Å; Y434-V462 VanDerWaalsContact CA-O 3.31Å; Y434-V462 WeakPolarHBondContact CA-O 3.28Å; Y434-V462 HydrophobicContact CD2-CB 3.98Å; Y434-V462 HydrophobicContact CD2-CG1 3.79Å; Y434-V462 WeakPolarHBondContact CD2-O 3.1Å; Y434-V462 HydrophobicContact CE2-CG1 4.07Å; A435-V462 PolarHBondContact N-O 3.25Å; I460-V462 WeakPolarHBondContact CG2-O 3.49Å; V462-S486 CarbonylContact C-O 3.59Å; V462-S486 VanDerWaalsContact CA-O 3.24Å; V462-S486 WeakPolarHBondContact CA-O 3.45Å; V462-L488 HydrophobicContact CG1-CD1 3.88Å; V462-L488 HydrophobicContact CG1-CG 4.1Å; V462-P570 HydrophobicContact CG1-CB 4.48Å; V462-I571 HydrophobicContact CB-CD1 4.1Å; V462-I571 HydrophobicContact CG2-CD1 3.5Å; V462-I571 VanDerWaalsContact CG2-CD1 3.5Å; V462-A574 HydrophobicContact CB-CB 4.47Å; V462-A574 HydrophobicContact CG1-CB 3.98Å; V462-A574 HydrophobicContact CG2-CB 3.53Å
463	T	98.6	Very high	95.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	171.6	166.8	-178.4	0	0	0	0	108.6	A435 V443 W454 I485 S486 V487 L488	A435-T463 VanDerWaalsContact O-CA 3.28Å; A435-T463 WeakPolarHBondContact O-CA 3.4Å; A435-T463 VanDerWaalsContact O-CB 3.28Å; A435-T463 WeakPolarHBondContact O-CB 3.38Å; A435-T463 PolarHBondContact O-OG1 2.93Å; V443-T463 HydrophobicContact CG1-CG2 3.77Å; W454-T463 HydrophobicContact CH2-CG2 4.37Å; W454-T463 WeakPolarHBondContact CH2-OG1 3.26Å; W454-T463 HydrophobicContact CZ3-CG2 3.92Å; T463-I485 HydrophobicContact CG2-CG2 3.97Å; T463-S486 PolarHBondContact N-O 3.49Å; T463-V487 HydrophobicContact CG2-CB 4.19Å; T463-V487 HydrophobicContact CG2-CG1 4.14Å; T463-V487 HydrophobicContact CG2-CG2 3.7Å; T463-V487 WeakPolarHBondContact O-CA 3.27Å; T463-L488 PolarHBondContact O-N 3.31Å
464	S	98.1	Very high	94.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.7	169.8	67	0	0	0	0	111.9	Y434 H440 L488 R490	Y434-S464 WeakPolarHBondContact OH-CB 3.35Å; Y434-S464 PolarHBondContact OH-OG 3.44Å; H440-S464 PolarHBondContact ND1-O 3.19Å; S464-L488 WeakPolarHBondContact CA-O 3.25Å; S464-L488 WeakPolarHBondContact CB-O 3.36Å; S464-R490 WeakPolarHBondContact OG-CD 3.43Å
465	T	97.4	Very high	94.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	147.7	174.8	-174.6	0	0	0	0	111.3	H440 V443 E467 V487 L488 R490	H440-T465 WeakPolarHBondContact CB-OG1 3.41Å; V443-T465 HydrophobicContact CG1-CG2 3.93Å; T465-E467 WeakPolarHBondContact OG1-CB 3.4Å; T465-E467 PolarHBondContact OG1-N 2.8Å; T465-V487 HydrophobicContact CG2-CG1 3.61Å; T465-L488 PolarHBondContact N-O 3.23Å; T465-R490 PolarHBondContact O-N 3.36Å
466	E	95.2	Very high	94.1	Very high	22 Å²	22	43.9 Å²	43.9	10%	0.103	22%	0.216	C	C	.	.	S	Bend	trans	-91.6	-4.4	168.8	60.2	175.4	-171.3	0	0	113.6	L471 R477 R490 T492	E466-L471 HydrophobicContact CB-CD1 4.24Å; E466-L471 HydrophobicContact CG-CD1 3.75Å; E466-R477 PolarHBondContact O-NE 3.47Å; E466-R477 IonicContact OE2-NH1 3.44Å; E466-R477 IonicContact OE2-NH2 3.71Å; E466-R490 HydrophobicContact CB-CB 4.42Å; E466-T492 WeakPolarHBondContact OE2-CG2 3.48Å
467	E	95.3	Very high	94	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.			trans	-87.4	-17.3	-168.9	-59.8	-72.1	-175.2	0	0	113.4	H440 Y444 T465 P469 H470 R597 H598 I601	H440-E467 HydrophobicContact CB-CG 3.92Å; Y444-E467 HydrophobicContact CD1-CB 4.27Å; Y444-E467 WeakPolarHBondContact CD1-O 3.39Å; T465-E467 WeakPolarHBondContact OG1-CB 3.4Å; T465-E467 PolarHBondContact OG1-N 2.8Å; E467-P469 CarbonylContact O-C 3.58Å; E467-P469 VanDerWaalsContact O-C 3.31Å; E467-H470 CarbonylContact O-C 3.6Å; E467-H470 VanDerWaalsContact O-C 3.28Å; E467-H470 VanDerWaalsContact O-CA 3.26Å; E467-H470 WeakPolarHBondContact O-CA 3.3Å; E467-H470 PolarHBondContact O-N 3.28Å; E467-R597 IonicContact OE1-CZ 3.82Å; E467-R597 IonicContact OE1-NE 3.36Å; E467-R597 PolarHBondContact OE1-NE 2.78Å; E467-R597 IonicContact OE1-NH2 3.84Å; E467-R597 PolarHBondContact OE1-NH2 3.31Å; E467-R597 WeakPolarHBondContact OE2-CG 3.25Å; E467-H598 PolarHBondContact O-CE1 3.07Å; E467-H598 VanDerWaalsContact O-CE1 3.25Å; E467-H598 PolarHBondContact O-NE2 3.3Å; E467-H598 IonicContact OE2-CD2 2.59Å; E467-H598 IonicContact OE2-NE2 3.5Å; E467-I601 HydrophobicContact CG-CD1 4Å
468	Y	95.9	Very high	93.9	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.039	19%	0.189	C	C	.	.	S	Bend	trans	-104.2	135.4	-172.4	177.7	-96	0	0	0	114.1	Y444 H470 R477 R478 F480 L588	Y444-Y468 HydrophobicContact CD1-CD2 4.12Å; Y444-Y468 AromaticContact CD2-CD2 3.58Å; Y444-Y468 HydrophobicContact CD2-CD2 3.58Å; Y444-Y468 HydrophobicContact CD2-CE2 4.43Å; Y444-Y468 HydrophobicContact CD2-CG 4.34Å; Y444-Y468 AromaticContact CE1-CD2 3.94Å; Y444-Y468 HydrophobicContact CE1-CD2 3.94Å; Y444-Y468 AromaticContact CE2-CD2 3.41Å; Y444-Y468 HydrophobicContact CE2-CD2 3.41Å; Y444-Y468 VanDerWaalsContact CE2-CD2 3.41Å; Y444-Y468 AromaticContact CE2-CE2 3.94Å; Y444-Y468 HydrophobicContact CE2-CE2 3.94Å; Y444-Y468 AromaticContact CG-CD2 3.93Å; Y444-Y468 HydrophobicContact CG-CD2 3.93Å; Y444-Y468 HydrophobicContact CG-CG 4.35Å; Y444-Y468 AromaticContact CZ-CD2 3.58Å; Y468-H470 VanDerWaalsContact C-N 3.28Å; Y468-R477 VanDerWaalsContact O-CA 3.28Å; Y468-R477 WeakPolarHBondContact O-CA 3.41Å; Y468-R478 HydrophobicContact CD1-CB 4.27Å; Y468-R478 VanDerWaalsContact CD1-O 3.3Å; Y468-R478 WeakPolarHBondContact CD1-O 3.38Å; Y468-R478 HydrophobicContact CE1-CB 3.91Å; Y468-R478 PolarHBondContact O-N 3.49Å; Y468-F480 AromaticContact CD1-CD1 3.45Å; Y468-F480 HydrophobicContact CD1-CD1 3.45Å; Y468-F480 VanDerWaalsContact CD1-CD1 3.45Å; Y468-F480 AromaticContact CD1-CE1 3.9Å; Y468-F480 HydrophobicContact CD1-CE1 3.9Å; Y468-F480 HydrophobicContact CD1-CG 4.49Å; Y468-F480 AromaticContact CD2-CD1 3.96Å; Y468-F480 HydrophobicContact CD2-CD1 3.96Å; Y468-F480 AromaticContact CD2-CE1 3.86Å; Y468-F480 HydrophobicContact CD2-CE1 3.86Å; Y468-F480 HydrophobicContact CE1-CB 4.14Å; Y468-F480 AromaticContact CE1-CD1 3.58Å; Y468-F480 HydrophobicContact CE1-CD1 3.58Å; Y468-F480 HydrophobicContact CE1-CE1 4.38Å; Y468-F480 HydrophobicContact CE1-CG 4.23Å; Y468-F480 HydrophobicContact CE2-CD1 4.11Å; Y468-F480 HydrophobicContact CE2-CE1 4.38Å; Y468-F480 AromaticContact CG-CD1 3.63Å; Y468-F480 HydrophobicContact CG-CD1 3.63Å; Y468-F480 AromaticContact CG-CE1 3.58Å; Y468-F480 HydrophobicContact CG-CE1 3.58Å; Y468-F480 AromaticContact CZ-CD1 3.91Å; Y468-L588 PolarHBondContact OH-N 2.55Å
469	P	91.3	Very high	93.9	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.104	19%	0.186	C	C	.	.	S	Bend	cis	-74	-19.3	-9.1	31.3	-33.3	0	0	0	112.4	Y444 E467 F476 Q590 H598	Y444-P469 WeakPolarHBondContact CE1-O 3.49Å; E467-P469 CarbonylContact O-C 3.58Å; E467-P469 VanDerWaalsContact O-C 3.31Å; P469-F476 WeakPolarHBondContact CD-O 3.28Å; P469-Q590 HydrophobicContact CB-CG 3.62Å; P469-Q590 WeakPolarHBondContact O-CG 3.41Å; P469-H598 PolarHBondContact O-CE1 2.98Å; P469-H598 VanDerWaalsContact O-CE1 3.31Å
470	H	86.6	Confident	93.9	Very high	53 Å²	53	35.6 Å²	35.6	25%	0.245	17%	0.167	C	C	.	.			trans	-142.6	155.1	173.9	-57.7	-71.8	0	0	0	110	E467 Y468 K472 Q590	E467-H470 CarbonylContact O-C 3.6Å; E467-H470 VanDerWaalsContact O-C 3.28Å; E467-H470 VanDerWaalsContact O-CA 3.26Å; E467-H470 WeakPolarHBondContact O-CA 3.3Å; E467-H470 PolarHBondContact O-N 3.28Å; Y468-H470 VanDerWaalsContact C-N 3.28Å; H470-K472 VanDerWaalsContact C-N 3.31Å; H470-K472 PolarHBondContact O-N 3.3Å; H470-Q590 PolarHBondContact NE2-OE1 3.07Å
471	L	86.9	Confident	93.9	Very high	40 Å²	40	37.7 Å²	37.7	21%	0.209	18%	0.178	C	C	.	.	S	Bend	trans	-63.1	-39.7	174.4	-178	65.5	0	0	0	111.8	E466 R477 R597	E466-L471 HydrophobicContact CB-CD1 4.24Å; E466-L471 HydrophobicContact CG-CD1 3.75Å; L471-R477 PolarHBondContact O-NE 3.02Å; L471-R477 PolarHBondContact O-NH2 2.95Å; L471-R597 HydrophobicContact CD2-CG 4.33Å
472	K	87.2	Confident	93.8	Very high	166 Å²	166	31.5 Å²	31.5	72%	0.722	15%	0.151	S	C	*	.	S	Bend	trans	-135.9	148.1	-179.9	-66.6	-171.7	-179.8	-177	0	111.5	H470	H470-K472 VanDerWaalsContact C-N 3.31Å; H470-K472 PolarHBondContact O-N 3.3Å
473	P	89.8	Confident	93.7	Very high	44 Å²	44	33.3 Å²	33.3	29%	0.286	16%	0.164	S	C	.	.	S	Bend	cis	-73.5	147.6	-8.7	32.3	-37.1	0	0	0	112	R475 F476	P473-R475 HydrophobicContact CB-CG 4.15Å; P473-R475 HydrophobicContact CG-CG 4.16Å; P473-R475 PolarHBondContact O-N 3.05Å; P473-R475 VanDerWaalsContact O-N 3.13Å; P473-F476 HydrophobicContact CG-CD2 3.38Å; P473-F476 HydrophobicContact CG-CE2 3.4Å; P473-F476 VanDerWaalsContact CG-CE2 3.4Å; P473-F476 HydrophobicContact CG-CG 4.13Å; P473-F476 HydrophobicContact CG-CZ 4.2Å; P473-F476 PolarHBondContact O-N 3.02Å; P473-F476 VanDerWaalsContact O-N 3.08Å
474	A	88.3	Confident	93.5	Very high	37 Å²	37	36.3 Å²	36.3	31%	0.306	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-60.2	-28.1	-174.2	0	0	0	0	0	113.9	F476 R477	A474-F476 PolarHBondContact O-N 3.43Å; A474-F476 VanDerWaalsContact O-N 3.1Å; A474-R477 VanDerWaalsContact O-CB 3.3Å; A474-R477 WeakPolarHBondContact O-CB 3.43Å; A474-R477 VanDerWaalsContact O-CG 3.28Å; A474-R477 WeakPolarHBondContact O-CG 3.49Å; A474-R477 PolarHBondContact O-N 3.25Å
475	R	90.3	Very high	93.5	Very high	88 Å²	88	36.3 Å²	36.3	33%	0.332	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-60.8	-16.9	176.3	66.2	-171.8	-177.4	-108.7	1.9	114.8	E116 S117 P473 R478	E116-R475 WeakPolarHBondContact OE2-CD 3.23Å; E116-R475 IonicContact OE2-CZ 3.13Å; E116-R475 IonicContact OE2-NE 2.73Å; E116-R475 PolarHBondContact OE2-NE 3.3Å; E116-R475 IonicContact OE2-NH2 2.73Å; S117-R475 VanDerWaalsContact OG-CB 3.26Å; S117-R475 WeakPolarHBondContact OG-CB 3.22Å; P473-R475 HydrophobicContact CB-CG 4.15Å; P473-R475 HydrophobicContact CG-CG 4.16Å; P473-R475 PolarHBondContact O-N 3.05Å; P473-R475 VanDerWaalsContact O-N 3.13Å; R475-R478 PolarHBondContact O-NH1 3Å; R475-R478 PolarHBondContact O-NH2 2.99Å
476	F	91.4	Very high	93.6	Very high	67 Å²	67	37.3 Å²	37.3	29%	0.294	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-90	-6.1	173.7	-64.4	-31.3	0	0	0	114.1	E116 P469 P473 A474 R478	E116-F476 HydrophobicContact CB-CE1 4.34Å; E116-F476 VanDerWaalsContact CD-CE1 3.44Å; E116-F476 HydrophobicContact CG-CE1 4.17Å; E116-F476 WeakPolarHBondContact OE1-CE1 3.02Å; E116-F476 WeakPolarHBondContact OE1-CZ 3.35Å; E116-F476 WeakPolarHBondContact OE2-CE1 3.28Å; P469-F476 WeakPolarHBondContact CD-O 3.28Å; P473-F476 HydrophobicContact CG-CD2 3.38Å; P473-F476 HydrophobicContact CG-CE2 3.4Å; P473-F476 VanDerWaalsContact CG-CE2 3.4Å; P473-F476 HydrophobicContact CG-CG 4.13Å; P473-F476 HydrophobicContact CG-CZ 4.2Å; P473-F476 PolarHBondContact O-N 3.02Å; P473-F476 VanDerWaalsContact O-N 3.08Å; A474-F476 PolarHBondContact O-N 3.43Å; A474-F476 VanDerWaalsContact O-N 3.1Å; F476-R478 WeakPolarHBondContact O-CG 3.29Å; F476-R478 PolarHBondContact O-N 3.45Å
477	R	93.9	Very high	93.8	Very high	9 Å²	9	36.3 Å²	36.3	3%	0.034	20%	0.197	C	C	.	.			trans	-61.2	132.6	-179.6	-66.7	173.1	-173.8	-178.7	1.1	110.8	E466 Y468 L471 A474 P489 R490	E466-R477 PolarHBondContact O-NE 3.47Å; E466-R477 IonicContact OE2-NH1 3.44Å; E466-R477 IonicContact OE2-NH2 3.71Å; Y468-R477 VanDerWaalsContact O-CA 3.28Å; Y468-R477 WeakPolarHBondContact O-CA 3.41Å; L471-R477 PolarHBondContact O-NE 3.02Å; L471-R477 PolarHBondContact O-NH2 2.95Å; A474-R477 VanDerWaalsContact O-CB 3.3Å; A474-R477 WeakPolarHBondContact O-CB 3.43Å; A474-R477 VanDerWaalsContact O-CG 3.28Å; A474-R477 WeakPolarHBondContact O-CG 3.49Å; A474-R477 PolarHBondContact O-N 3.25Å; R477-P489 HydrophobicContact CB-CB 3.89Å; R477-R490 VanDerWaalsContact CD-O 3.31Å; R477-R490 WeakPolarHBondContact CD-O 3.46Å; R477-R490 PolarHBondContact NH1-O 3.07Å
478	R	95.3	Very high	93.9	Very high	49 Å²	49	36.3 Å²	36.3	19%	0.185	20%	0.197	C	C	.	.			trans	-132.1	167.1	-178.4	-62	-58.5	177.4	-101.7	3.2	110.6	E116 Y468 R475 F476 E584	E116-R478 PolarHBondContact O-NH2 3.29Å; Y468-R478 HydrophobicContact CD1-CB 4.27Å; Y468-R478 VanDerWaalsContact CD1-O 3.3Å; Y468-R478 WeakPolarHBondContact CD1-O 3.38Å; Y468-R478 HydrophobicContact CE1-CB 3.91Å; Y468-R478 PolarHBondContact O-N 3.49Å; R475-R478 PolarHBondContact O-NH1 3Å; R475-R478 PolarHBondContact O-NH2 2.99Å; F476-R478 WeakPolarHBondContact O-CG 3.29Å; F476-R478 PolarHBondContact O-N 3.45Å; R478-E584 VanDerWaalsContact CD-CD 3.47Å; R478-E584 VanDerWaalsContact CD-OE1 3.31Å; R478-E584 WeakPolarHBondContact CD-OE1 3.5Å; R478-E584 IonicContact NE-OE1 3.83Å
479	G	97	Very high	94	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	20%	0.197	C	C	.	.			trans	-88.7	168.2	165.6	0	0	0	0	0	110.8	V487 Y577 E584	G479-V487 CarbonylContact C-O 3.6Å; G479-V487 WeakPolarHBondContact CA-O 3.38Å; G479-Y577 PolarHBondContact N-OH 3.05Å; G479-E584 CarbonylContact C-O 3.49Å
480	F	98.1	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	162.8	166.6	66	-82.5	0	0	0	110.3	Y444 V446 Y468 H482 V487 E584 P587 W589	Y444-F480 HydrophobicContact CD2-CE1 4.41Å; Y444-F480 HydrophobicContact CD2-CZ 4.23Å; V446-F480 HydrophobicContact CG2-CE2 4.15Å; V446-F480 HydrophobicContact CG2-CZ 4.23Å; Y468-F480 AromaticContact CD1-CD1 3.45Å; Y468-F480 HydrophobicContact CD1-CD1 3.45Å; Y468-F480 VanDerWaalsContact CD1-CD1 3.45Å; Y468-F480 AromaticContact CD1-CE1 3.9Å; Y468-F480 HydrophobicContact CD1-CE1 3.9Å; Y468-F480 HydrophobicContact CD1-CG 4.49Å; Y468-F480 AromaticContact CD2-CD1 3.96Å; Y468-F480 HydrophobicContact CD2-CD1 3.96Å; Y468-F480 AromaticContact CD2-CE1 3.86Å; Y468-F480 HydrophobicContact CD2-CE1 3.86Å; Y468-F480 HydrophobicContact CE1-CB 4.14Å; Y468-F480 AromaticContact CE1-CD1 3.58Å; Y468-F480 HydrophobicContact CE1-CD1 3.58Å; Y468-F480 HydrophobicContact CE1-CE1 4.38Å; Y468-F480 HydrophobicContact CE1-CG 4.23Å; Y468-F480 HydrophobicContact CE2-CD1 4.11Å; Y468-F480 HydrophobicContact CE2-CE1 4.38Å; Y468-F480 AromaticContact CG-CD1 3.63Å; Y468-F480 HydrophobicContact CG-CD1 3.63Å; Y468-F480 AromaticContact CG-CE1 3.58Å; Y468-F480 HydrophobicContact CG-CE1 3.58Å; Y468-F480 AromaticContact CZ-CD1 3.91Å; F480-H482 HydrophobicContact CD2-CB 3.86Å; F480-H482 HydrophobicContact CE2-CB 3.69Å; F480-V487 HydrophobicContact CD1-CB 3.8Å; F480-V487 HydrophobicContact CD1-CG1 4.04Å; F480-V487 HydrophobicContact CD1-CG2 4.32Å; F480-V487 HydrophobicContact CD2-CB 4.41Å; F480-V487 HydrophobicContact CD2-CG2 4.15Å; F480-V487 HydrophobicContact CE1-CB 3.61Å; F480-V487 HydrophobicContact CE1-CG1 3.49Å; F480-V487 VanDerWaalsContact CE1-CG1 3.49Å; F480-V487 HydrophobicContact CE1-CG2 3.89Å; F480-V487 HydrophobicContact CE2-CB 4.24Å; F480-V487 HydrophobicContact CE2-CG2 3.69Å; F480-V487 HydrophobicContact CG-CB 4.21Å; F480-V487 HydrophobicContact CG-CG2 4.45Å; F480-V487 HydrophobicContact CZ-CB 3.86Å; F480-V487 HydrophobicContact CZ-CG1 3.93Å; F480-V487 HydrophobicContact CZ-CG2 3.56Å; F480-V487 PolarHBondContact N-O 2.86Å; F480-V487 WeakPolarHBondContact O-CA 3.43Å; F480-V487 WeakPolarHBondContact O-CB 3.39Å; F480-V487 PolarHBondContact O-N 3.23Å; F480-E584 VanDerWaalsContact CA-O 3.28Å; F480-E584 WeakPolarHBondContact CA-O 3.46Å; F480-P587 HydrophobicContact CB-CB 4.01Å; F480-P587 HydrophobicContact CD2-CB 4Å; F480-P587 HydrophobicContact CG-CB 4.23Å; F480-W589 HydrophobicContact CD2-CH2 4.09Å; F480-W589 HydrophobicContact CD2-CZ3 4.14Å; F480-W589 AromaticContact CE2-CH2 3.93Å; F480-W589 HydrophobicContact CE2-CH2 3.93Å; F480-W589 AromaticContact CE2-CZ3 3.84Å; F480-W589 HydrophobicContact CE2-CZ3 3.84Å; F480-W589 HydrophobicContact CZ-CZ3 4.38Å
481	I	98	Very high	94.6	Very high	51 Å²	51	33 Å²	33	26%	0.262	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.8	172.5	-57.9	178.2	0	0	0	108.5	I485 F578 R585	I481-I485 WeakPolarHBondContact CA-O 3.39Å; I481-F578 HydrophobicContact CD1-CD1 4.49Å; I481-F578 HydrophobicContact CD1-CD2 4.03Å; I481-F578 HydrophobicContact CD1-CE2 4.09Å; I481-F578 HydrophobicContact CD1-CG 4.25Å; I481-F578 HydrophobicContact CD1-CZ 4.35Å; I481-F578 HydrophobicContact CG1-CD2 4.19Å; I481-F578 HydrophobicContact CG1-CE1 4.08Å; I481-F578 HydrophobicContact CG1-CE2 3.73Å; I481-F578 HydrophobicContact CG1-CZ 3.66Å; I481-R585 HydrophobicContact CD1-CB 4.17Å; I481-R585 HydrophobicContact CD1-CG 3.96Å; I481-R585 PolarHBondContact N-O 3.44Å
482	H	97.1	Very high	95	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.023	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134.3	176.2	-177.6	65.4	0	0	0	111.4	M448 Y451 F480 G484 I485 W589 H659	M448-H482 PolarHBondContact SD-NE2 3.46Å; Y451-H482 AromaticContact CD1-CD2 3.96Å; Y451-H482 HydrophobicContact CE1-CB 4.17Å; Y451-H482 AromaticContact CE1-CD2 3.91Å; F480-H482 HydrophobicContact CD2-CB 3.86Å; F480-H482 HydrophobicContact CE2-CB 3.69Å; H482-G484 PolarHBondContact O-N 3.03Å; H482-G484 VanDerWaalsContact O-N 3.09Å; H482-I485 PolarHBondContact N-O 3.28Å; H482-I485 PolarHBondContact O-N 3.33Å; H482-W589 HydrophobicContact CB-CH2 4.13Å; H482-W589 AromaticContact CG-CH2 3.94Å; H482-W589 AromaticContact ND1-CH2 3.79Å; H482-W589 AromaticContact ND1-CZ2 3.77Å; H482-H659 PolarHBondContact CE1-O 3.4Å; H482-H659 PolarHBondContact ND1-O 3.19Å
483	S	95.2	Very high	95.3	Very high	40 Å²	40	26.6 Å²	26.6	28%	0.28	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	32.2	-179.6	-155.1	0	0	0	0	113.9	K455 I485	K455-S483 PolarHBondContact NZ-OG 3.5Å; S483-I485 VanDerWaalsContact C-N 3.29Å; S483-I485 PolarHBondContact O-N 2.73Å
484	G	95.6	Very high	95.4	Very high	63 Å²	63	25.3 Å²	25.3	65%	0.649	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	3.9	-177.2	0	0	0	0	0	115.4	H482	H482-G484 PolarHBondContact O-N 3.03Å; H482-G484 VanDerWaalsContact O-N 3.09Å
485	I	98.4	Very high	95.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.1	175.1	-56.4	-173.7	0	0	0	109.4	Y451 W454 K455 I460 K461 T463 I481 H482 S483	Y451-I485 HydrophobicContact CD1-CB 3.93Å; Y451-I485 HydrophobicContact CD1-CD1 3.66Å; Y451-I485 HydrophobicContact CD1-CG1 4.02Å; Y451-I485 HydrophobicContact CE1-CB 3.93Å; Y451-I485 HydrophobicContact CE1-CD1 4.34Å; Y451-I485 HydrophobicContact CE1-CG2 4.32Å; Y451-I485 HydrophobicContact CG-CD1 4.28Å; W454-I485 HydrophobicContact CB-CD1 4.37Å; W454-I485 HydrophobicContact CE3-CD1 4.15Å; K455-I485 HydrophobicContact CG-CD1 4.14Å; K455-I485 HydrophobicContact CG-CG1 4.33Å; I460-I485 HydrophobicContact CB-CD1 4.45Å; I460-I485 HydrophobicContact CG2-CD1 4.36Å; I460-I485 HydrophobicContact CG2-CG2 4.38Å; K461-I485 WeakPolarHBondContact O-CA 3.41Å; T463-I485 HydrophobicContact CG2-CG2 3.97Å; I481-I485 WeakPolarHBondContact CA-O 3.39Å; H482-I485 PolarHBondContact N-O 3.28Å; H482-I485 PolarHBondContact O-N 3.33Å; S483-I485 VanDerWaalsContact C-N 3.29Å; S483-I485 PolarHBondContact O-N 2.73Å
486	S	98.7	Very high	95.6	Very high	22 Å²	22	24.3 Å²	24.3	15%	0.154	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.5	171.7	-76	0	0	0	0	110.6	K461 V462 T463 F578	K461-S486 PolarHBondContact O-N 3.2Å; V462-S486 CarbonylContact C-O 3.59Å; V462-S486 VanDerWaalsContact CA-O 3.24Å; V462-S486 WeakPolarHBondContact CA-O 3.45Å; T463-S486 PolarHBondContact N-O 3.49Å; S486-F578 WeakPolarHBondContact OG-CE2 3.4Å
487	V	98.6	Very high	95.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.7	175	-173.7	0	0	0	0	108.6	V443 Y451 T463 T465 G479 F480	V443-V487 HydrophobicContact CG1-CG1 3.82Å; V443-V487 HydrophobicContact CG1-CG2 4.46Å; Y451-V487 HydrophobicContact CE1-CG2 4.36Å; Y451-V487 WeakPolarHBondContact OH-CG2 3.48Å; T463-V487 HydrophobicContact CG2-CB 4.19Å; T463-V487 HydrophobicContact CG2-CG1 4.14Å; T463-V487 HydrophobicContact CG2-CG2 3.7Å; T463-V487 WeakPolarHBondContact O-CA 3.27Å; T465-V487 HydrophobicContact CG2-CG1 3.61Å; G479-V487 CarbonylContact C-O 3.6Å; G479-V487 WeakPolarHBondContact CA-O 3.38Å; F480-V487 HydrophobicContact CD1-CB 3.8Å; F480-V487 HydrophobicContact CD1-CG1 4.04Å; F480-V487 HydrophobicContact CD1-CG2 4.32Å; F480-V487 HydrophobicContact CD2-CB 4.41Å; F480-V487 HydrophobicContact CD2-CG2 4.15Å; F480-V487 HydrophobicContact CE1-CB 3.61Å; F480-V487 HydrophobicContact CE1-CG1 3.49Å; F480-V487 VanDerWaalsContact CE1-CG1 3.49Å; F480-V487 HydrophobicContact CE1-CG2 3.89Å; F480-V487 HydrophobicContact CE2-CB 4.24Å; F480-V487 HydrophobicContact CE2-CG2 3.69Å; F480-V487 HydrophobicContact CG-CB 4.21Å; F480-V487 HydrophobicContact CG-CG2 4.45Å; F480-V487 HydrophobicContact CZ-CB 3.86Å; F480-V487 HydrophobicContact CZ-CG1 3.93Å; F480-V487 HydrophobicContact CZ-CG2 3.56Å; F480-V487 PolarHBondContact N-O 2.86Å; F480-V487 WeakPolarHBondContact O-CA 3.43Å; F480-V487 WeakPolarHBondContact O-CB 3.39Å; F480-V487 PolarHBondContact O-N 3.23Å
488	L	98.3	Very high	94.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.3	-179.9	-58.4	-177.9	0	0	0	111.7	V462 T463 S464 T465 R490 I532 L573 A574 Y577 F578	V462-L488 HydrophobicContact CG1-CD1 3.88Å; V462-L488 HydrophobicContact CG1-CG 4.1Å; T463-L488 PolarHBondContact O-N 3.31Å; S464-L488 WeakPolarHBondContact CA-O 3.25Å; S464-L488 WeakPolarHBondContact CB-O 3.36Å; T465-L488 PolarHBondContact N-O 3.23Å; L488-R490 PolarHBondContact O-N 3.32Å; L488-I532 HydrophobicContact CB-CD1 3.64Å; L488-I532 HydrophobicContact CD1-CD1 3.71Å; L488-I532 HydrophobicContact CG-CD1 4.33Å; L488-L573 HydrophobicContact CD1-CG 4.4Å; L488-A574 HydrophobicContact CD1-CB 3.96Å; L488-A574 HydrophobicContact CD2-CB 4.05Å; L488-A574 HydrophobicContact CG-CB 4.29Å; L488-Y577 HydrophobicContact CD2-CD1 3.99Å; L488-Y577 HydrophobicContact CD2-CD2 4.38Å; L488-Y577 HydrophobicContact CD2-CG 3.78Å; L488-F578 HydrophobicContact CD2-CE2 4.05Å; L488-F578 HydrophobicContact CD2-CZ 4.41Å
489	P	97.1	Very high	94.5	Very high	6 Å²	6	28.4 Å²	28.4	4%	0.039	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.6	176.8	30.2	-35.1	0	0	0	110.6	R477 Y577	R477-P489 HydrophobicContact CB-CB 3.89Å; P489-Y577 HydrophobicContact CG-CD2 4.48Å; P489-Y577 HydrophobicContact CG-CE2 3.52Å; P489-Y577 WeakPolarHBondContact CG-OH 3.32Å
490	R	96.3	Very high	94.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	147.2	175.6	-154.1	175.1	-174.8	170	-24.4	110.9	D324 D326 V436 S464 T465 E466 R477 L488 I532 M534	D324-R490 PolarHBondContact O-NH2 3.22Å; D324-R490 IonicContact OD2-CZ 3.38Å; D324-R490 IonicContact OD2-NE 3.59Å; D324-R490 IonicContact OD2-NH1 2.89Å; D324-R490 IonicContact OD2-NH2 3.88Å; D326-R490 IonicContact OD1-CZ 3.88Å; D326-R490 IonicContact OD1-NH1 3.73Å; D326-R490 PolarHBondContact OD1-NH1 3.05Å; D326-R490 IonicContact OD1-NH2 3.2Å; D326-R490 PolarHBondContact OD1-NH2 3.41Å; D326-R490 IonicContact OD2-CZ 3.61Å; D326-R490 IonicContact OD2-NH1 3.01Å; D326-R490 PolarHBondContact OD2-NH1 3.37Å; D326-R490 IonicContact OD2-NH2 2.73Å; D326-R490 PolarHBondContact OD2-NH2 2.91Å; V436-R490 VanDerWaalsContact CG2-NH1 3.32Å; S464-R490 WeakPolarHBondContact OG-CD 3.43Å; T465-R490 PolarHBondContact O-N 3.36Å; E466-R490 HydrophobicContact CB-CB 4.42Å; R477-R490 VanDerWaalsContact CD-O 3.31Å; R477-R490 WeakPolarHBondContact CD-O 3.46Å; R477-R490 PolarHBondContact NH1-O 3.07Å; L488-R490 PolarHBondContact O-N 3.32Å; R490-I532 CarbonylContact C-O 3.28Å; R490-I532 WeakPolarHBondContact CA-O 3.5Å; R490-I532 HydrophobicContact CG-CB 4.26Å; R490-I532 HydrophobicContact CG-CG2 4.01Å; R490-I532 VanDerWaalsContact CG-O 3.27Å; R490-I532 WeakPolarHBondContact CG-O 3.39Å; R490-M534 HydrophobicContact CG-CB 4.33Å
491	Q	95.8	Very high	93.9	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.023	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.4	-175	-52	-53.3	-33.9	0	0	110.8	T524 I532 F533 M534	Q491-T524 HydrophobicContact CB-CG2 4.11Å; Q491-T524 HydrophobicContact CG-CG2 3.85Å; Q491-I532 PolarHBondContact N-O 3.05Å; Q491-F533 HydrophobicContact CB-CD1 3.74Å; Q491-F533 HydrophobicContact CB-CE1 3.79Å; Q491-F533 WeakPolarHBondContact O-CA 3.3Å; Q491-M534 PolarHBondContact O-N 3.16Å
492	T	93.8	Very high	93.4	Very high	66 Å²	66	33.2 Å²	33.2	41%	0.405	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	149.7	168.4	53	0	0	0	0	110	E466	E466-T492 WeakPolarHBondContact OE2-CG2 3.48Å
493	C	93.8	Very high	93.1	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.027	22%	0.221	C	C	.	.			trans	-118.8	8	-179.5	62	0	0	0	0	114.9	L495 L521 F533 M534 F550	C493-L495 PolarHBondContact O-N 2.97Å; C493-L521 HydrophobicContact CB-CD1 4.05Å; C493-F533 HydrophobicContact CB-CD1 3.92Å; C493-M534 PolarHBondContact SG-O 3.36Å; C493-F550 HydrophobicContact CB-CZ 4.25Å
494	G	91.9	Very high	92.9	Very high	18 Å²	18	42.8 Å²	42.8	19%	0.186	23%	0.231	C	C	.	.	S	Bend	trans	80.7	-1.2	-176.2	0	0	0	0	0	114.4	F496 Y505	G494-F496 WeakPolarHBondContact O-CD2 3.34Å; G494-F496 WeakPolarHBondContact O-CE2 3.34Å; G494-Y505 WeakPolarHBondContact O-CE2 3.35Å; G494-Y505 PolarHBondContact O-OH 3.1Å
495	L	93.1	Very high	92.7	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.084	20%	0.203	C	C	.	.			trans	-88.8	137.1	174	-60.4	175.9	0	0	0	110.8	C493 L512 T535 N539 L545 T549	C493-L495 PolarHBondContact O-N 2.97Å; L495-L512 HydrophobicContact CD2-CD1 4.09Å; L495-L512 HydrophobicContact CD2-CD2 4.32Å; L495-T535 HydrophobicContact CD1-CG2 3.97Å; L495-N539 HydrophobicContact CD1-CB 4.39Å; L495-L545 HydrophobicContact CD2-CB 3.88Å; L495-T549 HydrophobicContact CD1-CG2 4.48Å
496	F	90.4	Very high	92.1	Very high	88 Å²	88	43.1 Å²	43.1	39%	0.386	22%	0.221	S	C	.	.			trans	-116.3	148	-178.8	-54.3	-82.5	0	0	0	110.5	G494 H498 T499 P506 N539	G494-F496 WeakPolarHBondContact O-CD2 3.34Å; G494-F496 WeakPolarHBondContact O-CE2 3.34Å; F496-H498 PolarHBondContact O-N 3.39Å; F496-T499 PolarHBondContact O-N 2.88Å; F496-P506 HydrophobicContact CD2-CG 3.93Å; F496-P506 HydrophobicContact CE2-CG 3.9Å; F496-N539 PolarHBondContact O-ND2 2.87Å
497	T	86.1	Confident	91.6	Very high	65 Å²	65	46 Å²	46	40%	0.399	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.6	-178.8	46.2	0	0	0	0	114.1	H536 S538	T497-H536 HydrophobicContact CG2-CB 3.86Å; T497-H536 VanDerWaalsContact CG2-CD2 3.47Å; T497-H536 WeakPolarHBondContact CG2-CD2 3.28Å; T497-H536 WeakPolarHBondContact CG2-ND1 3.46Å; T497-S538 PolarHBondContact O-OG 3.11Å
498	H	85.3	Confident	91.1	Very high	142 Å²	142	47.8 Å²	47.8	66%	0.657	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-7.1	-177.8	61	-82.7	0	0	0	113.4	F496	F496-H498 PolarHBondContact O-N 3.39Å
499	T	86.8	Confident	90.3	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.025	28%	0.277	C	S	.	.			trans	-100.1	95	179.1	-56.3	0	0	0	0	108.7	F496 Y505 L545	F496-T499 PolarHBondContact O-N 2.88Å; T499-Y505 HydrophobicContact CG2-CD2 3.88Å; T499-Y505 HydrophobicContact CG2-CG 4.4Å; T499-L545 HydrophobicContact CG2-CD1 4.11Å
500	I	89	Confident	89.9	Confident	21 Å²	21	53.9 Å²	53.9	11%	0.108	30%	0.3	C	S	.	.			trans	-109.3	-16	-175.4	64	-177.8	0	0	0	113.5	T335 S538	T335-I500 HydrophobicContact CG2-CD1 3.87Å; I500-S538 WeakPolarHBondContact CG2-O 3.41Å
501	F	91.9	Very high	89.7	Confident	68 Å²	68	57.1 Å²	57.1	30%	0.298	32%	0.315	S	S	.	.	S	Bend	trans	-113.7	141	176	-59.3	-71.1	0	0	0	110.7	K503 D504 N542 D543	F501-K503 VanDerWaalsContact C-N 3.32Å; F501-K503 HydrophobicContact CB-CG 4.18Å; F501-K503 PolarHBondContact O-N 3.24Å; F501-D504 HydrophobicContact CB-CB 4.37Å; F501-D504 WeakPolarHBondContact CB-OD2 3.45Å; F501-D504 WeakPolarHBondContact CD2-OD2 3.41Å; F501-D504 PolarHBondContact O-N 2.99Å; F501-D504 VanDerWaalsContact O-N 3.15Å; F501-N542 HydrophobicContact CD1-CB 4.3Å; F501-N542 HydrophobicContact CE1-CB 3.77Å; F501-N542 HydrophobicContact CZ-CB 4.3Å; F501-D543 VanDerWaalsContact CA-OD2 3.23Å; F501-D543 WeakPolarHBondContact CA-OD2 3.38Å
502	Y	89.1	Confident	89.6	Confident	63 Å²	63	56.9 Å²	56.9	25%	0.247	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-62.9	-40.7	-176.4	-174.8	-120.2	0	0	0	111.9	D504 Y505 P509 L512 D513 D543 L545 Y548	Y502-D504 PolarHBondContact O-N 3.4Å; Y502-Y505 VanDerWaalsContact O-CB 3.31Å; Y502-Y505 WeakPolarHBondContact O-CB 3.41Å; Y502-Y505 PolarHBondContact O-N 3.3Å; Y502-P509 HydrophobicContact CD1-CB 3.67Å; Y502-P509 HydrophobicContact CD2-CB 4.27Å; Y502-P509 HydrophobicContact CE1-CB 3.32Å; Y502-P509 HydrophobicContact CE2-CB 3.95Å; Y502-P509 WeakPolarHBondContact CE2-O 3.44Å; Y502-P509 HydrophobicContact CG-CB 4.14Å; Y502-P509 VanDerWaalsContact CZ-CB 3.47Å; Y502-P509 WeakPolarHBondContact O-CB 3.27Å; Y502-P509 WeakPolarHBondContact O-CG 3.41Å; Y502-P509 PolarHBondContact OH-O 2.86Å; Y502-L512 HydrophobicContact CD2-CD2 4.33Å; Y502-L512 HydrophobicContact CE2-CB 4.33Å; Y502-L512 HydrophobicContact CE2-CD2 4.19Å; Y502-D513 PolarHBondContact OH-OD2 3.46Å; Y502-D543 PolarHBondContact N-OD2 3.42Å; Y502-L545 HydrophobicContact CD2-CD2 4.06Å; Y502-L545 HydrophobicContact CG-CD2 4.43Å; Y502-Y548 HydrophobicContact CE2-CE1 4.49Å
503	K	90.5	Very high	89.6	Confident	153 Å²	153	55.3 Å²	55.3	67%	0.665	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-61.5	-26.3	177.8	68	-179.3	-175.8	-179.2	0	113.6	F501	F501-K503 VanDerWaalsContact C-N 3.32Å; F501-K503 HydrophobicContact CB-CG 4.18Å; F501-K503 PolarHBondContact O-N 3.24Å
504	D	89.4	Confident	89.6	Confident	93 Å²	93	60.8 Å²	60.8	50%	0.497	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-97.4	9.8	-176	-59.4	-39.1	0	0	0	111.7	F501 Y502	F501-D504 HydrophobicContact CB-CB 4.37Å; F501-D504 WeakPolarHBondContact CB-OD2 3.45Å; F501-D504 WeakPolarHBondContact CD2-OD2 3.41Å; F501-D504 PolarHBondContact O-N 2.99Å; F501-D504 VanDerWaalsContact O-N 3.15Å; Y502-D504 PolarHBondContact O-N 3.4Å
505	Y	91.6	Very high	89.7	Confident	14 Å²	14	62 Å²	62	6%	0.055	33%	0.329	C	S	.	.	S	Bend	trans	-62.1	130.8	178.3	-167.3	-88.3	0	0	0	111.1	G494 T499 Y502 G507 S508 E511 L512 L515	G494-Y505 WeakPolarHBondContact O-CE2 3.35Å; G494-Y505 PolarHBondContact O-OH 3.1Å; T499-Y505 HydrophobicContact CG2-CD2 3.88Å; T499-Y505 HydrophobicContact CG2-CG 4.4Å; Y502-Y505 VanDerWaalsContact O-CB 3.31Å; Y502-Y505 WeakPolarHBondContact O-CB 3.41Å; Y502-Y505 PolarHBondContact O-N 3.3Å; Y505-G507 PolarHBondContact O-N 3.36Å; Y505-S508 WeakPolarHBondContact CD1-O 3.11Å; Y505-E511 HydrophobicContact CD1-CB 4.07Å; Y505-E511 HydrophobicContact CE1-CB 3.78Å; Y505-L512 HydrophobicContact CD1-CB 4.35Å; Y505-L512 HydrophobicContact CD2-CB 4.16Å; Y505-L512 HydrophobicContact CD2-CD2 4.37Å; Y505-L512 HydrophobicContact CE1-CB 4.11Å; Y505-L512 HydrophobicContact CE2-CB 3.91Å; Y505-L512 HydrophobicContact CE2-CD1 3.9Å; Y505-L512 HydrophobicContact CE2-CD2 4.28Å; Y505-L512 HydrophobicContact CE2-CG 4.25Å; Y505-L512 HydrophobicContact CG-CB 4.36Å; Y505-L515 WeakPolarHBondContact OH-CD1 3.31Å
506	P	87.6	Confident	89.8	Confident	58 Å²	58	61.3 Å²	61.3	38%	0.377	33%	0.325	S	S	.	.	S	Bend	trans	-53.1	128.9	-175.7	-28.9	35.4	0	0	0	113.2	F496 S508	F496-P506 HydrophobicContact CD2-CG 3.93Å; F496-P506 HydrophobicContact CE2-CG 3.9Å; P506-S508 PolarHBondContact O-N 2.83Å
507	G	86.7	Confident	90	Very high	83 Å²	83	60.6 Å²	60.6	86%	0.856	33%	0.325	S	S	*	.	S	Bend	trans	86.5	-75	-175.8	0	0	0	0	0	112	Y505	Y505-G507 PolarHBondContact O-N 3.36Å
508	S	88.3	Confident	90.3	Very high	36 Å²	36	57.7 Å²	57.7	25%	0.252	31%	0.308	S	S	.	.			trans	-160.2	159.2	171	75.7	0	0	0	0	111.1	Y505 P506 N510 E511	Y505-S508 WeakPolarHBondContact CD1-O 3.11Å; P506-S508 PolarHBondContact O-N 2.83Å; S508-N510 PolarHBondContact O-N 3.07Å; S508-E511 WeakPolarHBondContact O-CB 3.2Å; S508-E511 PolarHBondContact O-N 3.41Å
509	P	82.3	Confident	90.7	Very high	37 Å²	37	51.8 Å²	51.8	24%	0.24	29%	0.286	C	S	.	.	H	α-helix	trans	-54.9	-37.2	175.5	-24.8	34.7	0	0	0	113	Y502 E511 L512	Y502-P509 HydrophobicContact CD1-CB 3.67Å; Y502-P509 HydrophobicContact CD2-CB 4.27Å; Y502-P509 HydrophobicContact CE1-CB 3.32Å; Y502-P509 HydrophobicContact CE2-CB 3.95Å; Y502-P509 WeakPolarHBondContact CE2-O 3.44Å; Y502-P509 HydrophobicContact CG-CB 4.14Å; Y502-P509 VanDerWaalsContact CZ-CB 3.47Å; Y502-P509 WeakPolarHBondContact O-CB 3.27Å; Y502-P509 WeakPolarHBondContact O-CG 3.41Å; Y502-P509 PolarHBondContact OH-O 2.86Å; P509-E511 PolarHBondContact O-N 2.94Å; P509-E511 VanDerWaalsContact O-N 3.13Å; P509-L512 PolarHBondContact O-N 2.89Å
510	N	88.3	Confident	91	Very high	98 Å²	98	57.3 Å²	57.3	52%	0.524	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-16.3	178.2	-65.1	-15.3	0	0	0	113.9	S508 L512 D513 K514	S508-N510 PolarHBondContact O-N 3.07Å; N510-L512 VanDerWaalsContact C-N 3.33Å; N510-D513 PolarHBondContact O-N 2.81Å; N510-K514 WeakPolarHBondContact O-CG 3.38Å; N510-K514 PolarHBondContact O-N 2.97Å
511	E	92.4	Very high	91.3	Very high	67 Å²	67	56.5 Å²	56.5	31%	0.313	31%	0.308	S	S	.	.	H	α-helix	trans	-67.2	-35.3	176.5	-68.7	-55	129.4	0	0	111.7	Y505 S508 P509 D513 K514 L515	Y505-E511 HydrophobicContact CD1-CB 4.07Å; Y505-E511 HydrophobicContact CE1-CB 3.78Å; S508-E511 WeakPolarHBondContact O-CB 3.2Å; S508-E511 PolarHBondContact O-N 3.41Å; P509-E511 PolarHBondContact O-N 2.94Å; P509-E511 VanDerWaalsContact O-N 3.13Å; E511-D513 VanDerWaalsContact C-N 3.32Å; E511-D513 PolarHBondContact O-N 3.05Å; E511-K514 PolarHBondContact O-N 3.03Å; E511-K514 IonicContact OE1-NZ 3.5Å; E511-K514 PolarHBondContact OE1-NZ 2.9Å; E511-L515 WeakPolarHBondContact O-CG 3.41Å; E511-L515 PolarHBondContact O-N 3.32Å
512	L	93.1	Very high	91.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-43.4	174.1	-176.9	56.5	0	0	0	110.8	L495 Y502 Y505 P509 N510 K514 L515 I516 Y548	L495-L512 HydrophobicContact CD2-CD1 4.09Å; L495-L512 HydrophobicContact CD2-CD2 4.32Å; Y502-L512 HydrophobicContact CD2-CD2 4.33Å; Y502-L512 HydrophobicContact CE2-CB 4.33Å; Y502-L512 HydrophobicContact CE2-CD2 4.19Å; Y505-L512 HydrophobicContact CD1-CB 4.35Å; Y505-L512 HydrophobicContact CD2-CB 4.16Å; Y505-L512 HydrophobicContact CD2-CD2 4.37Å; Y505-L512 HydrophobicContact CE1-CB 4.11Å; Y505-L512 HydrophobicContact CE2-CB 3.91Å; Y505-L512 HydrophobicContact CE2-CD1 3.9Å; Y505-L512 HydrophobicContact CE2-CD2 4.28Å; Y505-L512 HydrophobicContact CE2-CG 4.25Å; Y505-L512 HydrophobicContact CG-CB 4.36Å; P509-L512 PolarHBondContact O-N 2.89Å; N510-L512 VanDerWaalsContact C-N 3.33Å; L512-K514 VanDerWaalsContact C-N 3.34Å; L512-K514 PolarHBondContact O-N 3.01Å; L512-L515 WeakPolarHBondContact O-CB 3.39Å; L512-L515 PolarHBondContact O-N 2.77Å; L512-I516 HydrophobicContact CD1-CD1 4.27Å; L512-I516 HydrophobicContact CG-CD1 4.04Å; L512-I516 WeakPolarHBondContact O-CD1 3.27Å; L512-I516 WeakPolarHBondContact O-CG1 3.43Å; L512-I516 PolarHBondContact O-N 3.04Å; L512-Y548 HydrophobicContact CD2-CD1 4.03Å; L512-Y548 HydrophobicContact CD2-CE1 4.3Å
513	D	93.5	Very high	91.9	Very high	34 Å²	34	50.9 Å²	50.9	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-39.4	176.2	-71.4	-18.3	0	0	0	112.1	Y502 N510 E511 L515 I516 N517 Y548	Y502-D513 PolarHBondContact OH-OD2 3.46Å; N510-D513 PolarHBondContact O-N 2.81Å; E511-D513 VanDerWaalsContact C-N 3.32Å; E511-D513 PolarHBondContact O-N 3.05Å; D513-L515 VanDerWaalsContact C-N 3.34Å; D513-L515 PolarHBondContact O-N 3.06Å; D513-I516 PolarHBondContact O-N 3.46Å; D513-N517 WeakPolarHBondContact O-CB 3.36Å; D513-N517 VanDerWaalsContact O-CG 3.27Å; D513-N517 PolarHBondContact O-N 3.3Å; D513-N517 PolarHBondContact O-ND2 3.2Å; D513-Y548 VanDerWaalsContact OD1-CE1 3.3Å; D513-Y548 WeakPolarHBondContact OD1-CE1 3.37Å; D513-Y548 VanDerWaalsContact OD1-CZ 3.31Å; D513-Y548 PolarHBondContact OD1-OH 3.48Å
514	K	93.4	Very high	92.1	Very high	119 Å²	119	44.5 Å²	44.5	52%	0.517	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-39	175.4	-72.9	174.1	-172.2	171.3	0	112.2	N510 E511 L512 I516 G519	N510-K514 WeakPolarHBondContact O-CG 3.38Å; N510-K514 PolarHBondContact O-N 2.97Å; E511-K514 PolarHBondContact O-N 3.03Å; E511-K514 IonicContact OE1-NZ 3.5Å; E511-K514 PolarHBondContact OE1-NZ 2.9Å; L512-K514 VanDerWaalsContact C-N 3.34Å; L512-K514 PolarHBondContact O-N 3.01Å; K514-I516 VanDerWaalsContact C-N 3.3Å; K514-I516 PolarHBondContact O-N 2.83Å; K514-G519 WeakPolarHBondContact O-CA 3.5Å; K514-G519 PolarHBondContact O-N 2.79Å; K514-G519 VanDerWaalsContact O-N 3.08Å
515	L	94.4	Very high	92.5	Very high	44 Å²	44	40.1 Å²	40.1	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-40.6	176.1	-68.5	174.5	0	0	0	111.6	Y505 E511 L512 D513 G519 E520 L521 F522	Y505-L515 WeakPolarHBondContact OH-CD1 3.31Å; E511-L515 WeakPolarHBondContact O-CG 3.41Å; E511-L515 PolarHBondContact O-N 3.32Å; L512-L515 WeakPolarHBondContact O-CB 3.39Å; L512-L515 PolarHBondContact O-N 2.77Å; D513-L515 VanDerWaalsContact C-N 3.34Å; D513-L515 PolarHBondContact O-N 3.06Å; L515-G519 CarbonylContact O-C 3.59Å; L515-G519 VanDerWaalsContact O-C 3.25Å; L515-G519 WeakPolarHBondContact O-CA 3.44Å; L515-E520 HydrophobicContact CD2-CB 4.02Å; L515-L521 HydrophobicContact CB-CB 4.33Å; L515-L521 WeakPolarHBondContact O-CB 3.42Å; L515-L521 PolarHBondContact O-N 3.08Å; L515-L521 VanDerWaalsContact O-N 3.16Å; L515-F522 PolarHBondContact O-N 2.89Å
516	I	96	Very high	92.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-74.4	-46.7	-179.3	-64	161.7	0	0	0	111.3	L512 D513 K514 G518 L521 F522 Y548 T549 L553	L512-I516 HydrophobicContact CD1-CD1 4.27Å; L512-I516 HydrophobicContact CG-CD1 4.04Å; L512-I516 WeakPolarHBondContact O-CD1 3.27Å; L512-I516 WeakPolarHBondContact O-CG1 3.43Å; L512-I516 PolarHBondContact O-N 3.04Å; D513-I516 PolarHBondContact O-N 3.46Å; K514-I516 VanDerWaalsContact C-N 3.3Å; K514-I516 PolarHBondContact O-N 2.83Å; I516-G518 PolarHBondContact O-N 3.36Å; I516-G518 VanDerWaalsContact O-N 3.12Å; I516-L521 HydrophobicContact CG1-CD2 4.11Å; I516-F522 WeakPolarHBondContact O-CB 3.17Å; I516-Y548 HydrophobicContact CD1-CD1 4.47Å; I516-Y548 HydrophobicContact CD1-CE1 4.12Å; I516-T549 HydrophobicContact CD1-CG2 4.21Å; I516-T549 HydrophobicContact CG1-CG2 4.22Å; I516-L553 HydrophobicContact CG2-CB 4.23Å
517	N	94.1	Very high	93	Very high	73 Å²	73	37.3 Å²	37.3	39%	0.39	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	73.8	-170.4	-61.9	-33.5	0	0	0	110.9	D513 G519 F556	D513-N517 WeakPolarHBondContact O-CB 3.36Å; D513-N517 VanDerWaalsContact O-CG 3.27Å; D513-N517 PolarHBondContact O-N 3.3Å; D513-N517 PolarHBondContact O-ND2 3.2Å; N517-G519 VanDerWaalsContact C-N 3.32Å; N517-G519 PolarHBondContact O-N 2.82Å; N517-F556 HydrophobicContact CB-CD2 4.17Å; N517-F556 HydrophobicContact CB-CE2 3.9Å; N517-F556 HydrophobicContact CB-CZ 4.45Å; N517-F556 WeakPolarHBondContact OD1-CD2 3.49Å
518	G	92	Very high	93.4	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-3.1	177.6	0	0	0	0	0	115	W295 I516	W295-G518 WeakPolarHBondContact CB-O 3.33Å; I516-G518 PolarHBondContact O-N 3.36Å; I516-G518 VanDerWaalsContact O-N 3.12Å
519	G	94.5	Very high	93.8	Very high	19 Å²	19	33.3 Å²	33.3	20%	0.196	18%	0.175	C	C	.	.	S	Bend	trans	-83.5	-162.2	176.3	0	0	0	0	0	114.7	K514 L515 N517 L521 F522 L523	K514-G519 WeakPolarHBondContact O-CA 3.5Å; K514-G519 PolarHBondContact O-N 2.79Å; K514-G519 VanDerWaalsContact O-N 3.08Å; L515-G519 CarbonylContact O-C 3.59Å; L515-G519 VanDerWaalsContact O-C 3.25Å; L515-G519 WeakPolarHBondContact O-CA 3.44Å; N517-G519 VanDerWaalsContact C-N 3.32Å; N517-G519 PolarHBondContact O-N 2.82Å; G519-L521 VanDerWaalsContact C-N 3.32Å; G519-L521 PolarHBondContact O-N 3.01Å; G519-F522 WeakPolarHBondContact O-CB 3.18Å; G519-F522 PolarHBondContact O-N 3.38Å; G519-F522 VanDerWaalsContact O-N 3.16Å; G519-L523 WeakPolarHBondContact O-CG 3.37Å; G519-L523 PolarHBondContact O-N 3.36Å
520	E	93.1	Very high	94.4	Very high	120 Å²	120	31.9 Å²	31.9	56%	0.561	17%	0.165	S	C	*	.	H	α-helix	trans	-58.2	-36.2	-170.9	-72.4	-66.6	131.7	0	0	114.3	L515 L523 T524	L515-E520 HydrophobicContact CD2-CB 4.02Å; E520-L523 PolarHBondContact O-N 3.46Å; E520-T524 WeakPolarHBondContact O-CB 3.38Å; E520-T524 PolarHBondContact O-N 3.16Å; E520-T524 PolarHBondContact O-OG1 2.86Å
521	L	95.9	Very high	94.8	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-68.7	-42.5	179.1	179	57.3	0	0	0	110.9	C493 L515 I516 G519 T524 V525 F533 T549 L553	C493-L521 HydrophobicContact CB-CD1 4.05Å; L515-L521 HydrophobicContact CB-CB 4.33Å; L515-L521 WeakPolarHBondContact O-CB 3.42Å; L515-L521 PolarHBondContact O-N 3.08Å; L515-L521 VanDerWaalsContact O-N 3.16Å; I516-L521 HydrophobicContact CG1-CD2 4.11Å; G519-L521 VanDerWaalsContact C-N 3.32Å; G519-L521 PolarHBondContact O-N 3.01Å; L521-T524 WeakPolarHBondContact O-CB 3.27Å; L521-T524 PolarHBondContact O-N 3.1Å; L521-V525 PolarHBondContact O-N 3.08Å; L521-F533 HydrophobicContact CD1-CD1 3.99Å; L521-F533 HydrophobicContact CD1-CE1 3.3Å; L521-F533 HydrophobicContact CD1-CZ 3.66Å; L521-T549 HydrophobicContact CD2-CG2 3.39Å; L521-L553 HydrophobicContact CD1-CD2 4.01Å; L521-L553 HydrophobicContact CD2-CD2 3.99Å; L521-L553 HydrophobicContact CG-CD1 4.06Å; L521-L553 HydrophobicContact CG-CD2 3.74Å; L521-L553 HydrophobicContact CG-CG 4.45Å
522	F	96.9	Very high	95.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-47.3	171.6	169.3	-106.3	0	0	0	112	W295 L299 L515 I516 G519 T524 V525 L526 L553 F556 V557 T561	W295-F522 HydrophobicContact CE3-CE1 4.39Å; L299-F522 HydrophobicContact CD1-CE1 4.15Å; L299-F522 HydrophobicContact CD1-CZ 3.84Å; L299-F522 HydrophobicContact CD2-CE1 4.27Å; L299-F522 HydrophobicContact CD2-CZ 3.86Å; L299-F522 HydrophobicContact CG-CE1 4.03Å; L299-F522 HydrophobicContact CG-CZ 3.96Å; L515-F522 PolarHBondContact O-N 2.89Å; I516-F522 WeakPolarHBondContact O-CB 3.17Å; G519-F522 WeakPolarHBondContact O-CB 3.18Å; G519-F522 PolarHBondContact O-N 3.38Å; G519-F522 VanDerWaalsContact O-N 3.16Å; F522-T524 PolarHBondContact O-N 3.03Å; F522-V525 PolarHBondContact O-N 2.95Å; F522-V525 VanDerWaalsContact O-N 3.09Å; F522-L526 HydrophobicContact CE1-CD2 4.23Å; F522-L526 PolarHBondContact O-N 3.22Å; F522-L553 HydrophobicContact CB-CD1 4.32Å; F522-F556 HydrophobicContact CD1-CE1 4.27Å; F522-F556 AromaticContact CD2-CD1 3.64Å; F522-F556 HydrophobicContact CD2-CD1 3.64Å; F522-F556 AromaticContact CD2-CE1 3.82Å; F522-F556 HydrophobicContact CD2-CE1 3.82Å; F522-F556 HydrophobicContact CE1-CE1 4.39Å; F522-F556 AromaticContact CE2-CD1 3.97Å; F522-F556 HydrophobicContact CE2-CD1 3.97Å; F522-F556 AromaticContact CE2-CE1 3.97Å; F522-F556 HydrophobicContact CE2-CE1 3.97Å; F522-F556 HydrophobicContact CG-CD1 4.11Å; F522-F556 AromaticContact CG-CE1 3.97Å; F522-F556 HydrophobicContact CG-CE1 3.97Å; F522-F556 HydrophobicContact CZ-CE1 4.24Å; F522-V557 HydrophobicContact CD2-CG2 3.79Å; F522-V557 HydrophobicContact CE2-CG2 4Å; F522-T561 HydrophobicContact CE2-CG2 3.95Å; F522-T561 HydrophobicContact CZ-CG2 3.94Å
523	L	95.6	Very high	95.3	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.063	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-34	179.7	-67.4	174.8	0	0	0	112.2	K298 G519 E520 V525 L526 L527	K298-L523 HydrophobicContact CB-CD2 4.06Å; K298-L523 HydrophobicContact CD-CD1 3.58Å; K298-L523 HydrophobicContact CD-CD2 3.71Å; K298-L523 HydrophobicContact CD-CG 4.28Å; G519-L523 WeakPolarHBondContact O-CG 3.37Å; G519-L523 PolarHBondContact O-N 3.36Å; E520-L523 PolarHBondContact O-N 3.46Å; L523-V525 VanDerWaalsContact C-N 3.34Å; L523-V525 PolarHBondContact O-N 2.73Å; L523-L526 HydrophobicContact CD2-CD2 3.95Å; L523-L526 PolarHBondContact O-N 2.88Å; L523-L527 WeakPolarHBondContact O-CB 3.43Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 3.19Å
524	T	95.3	Very high	95.5	Very high	20 Å²	20	23.9 Å²	23.9	12%	0.123	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-45.7	173.7	-61.7	0	0	0	0	110.9	Q491 E520 L521 F522 N528 F533	Q491-T524 HydrophobicContact CB-CG2 4.11Å; Q491-T524 HydrophobicContact CG-CG2 3.85Å; E520-T524 WeakPolarHBondContact O-CB 3.38Å; E520-T524 PolarHBondContact O-N 3.16Å; E520-T524 PolarHBondContact O-OG1 2.86Å; L521-T524 WeakPolarHBondContact O-CB 3.27Å; L521-T524 PolarHBondContact O-N 3.1Å; F522-T524 PolarHBondContact O-N 3.03Å; T524-N528 VanDerWaalsContact O-CB 3.23Å; T524-N528 WeakPolarHBondContact O-CB 3.4Å; T524-N528 PolarHBondContact O-N 3.5Å; T524-N528 PolarHBondContact O-ND2 3.3Å; T524-F533 HydrophobicContact CG2-CE1 3.94Å; T524-F533 HydrophobicContact CG2-CZ 4.04Å
525	V	96.6	Very high	95.7	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-70.1	-36.9	175.4	178.2	0	0	0	0	111.5	R319 I321 L521 F522 L523 L527 F533 L553 V557	R319-V525 WeakPolarHBondContact CD-O 3.23Å; R319-V525 HydrophobicContact CG-CG1 4.27Å; R319-V525 PolarHBondContact NE-O 2.73Å; I321-V525 HydrophobicContact CD1-CG1 4.12Å; I321-V525 HydrophobicContact CD1-CG2 4.16Å; L521-V525 PolarHBondContact O-N 3.08Å; F522-V525 PolarHBondContact O-N 2.95Å; F522-V525 VanDerWaalsContact O-N 3.09Å; L523-V525 VanDerWaalsContact C-N 3.34Å; L523-V525 PolarHBondContact O-N 2.73Å; V525-L527 PolarHBondContact O-N 3.08Å; V525-F533 HydrophobicContact CG2-CE2 4.16Å; V525-F533 HydrophobicContact CG2-CZ 3.89Å; V525-L553 HydrophobicContact CG2-CD2 3.98Å; V525-V557 HydrophobicContact CG1-CG2 4.19Å
526	L	96.1	Very high	95.8	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-61	-47.4	178.4	175.7	59.2	0	0	0	111.7	I220 L299 V302 R319 F522 L523 L563	I220-L526 HydrophobicContact CD1-CD1 4.46Å; I220-L526 HydrophobicContact CG2-CD1 3.64Å; L299-L526 HydrophobicContact CD2-CD1 3.46Å; L299-L526 VanDerWaalsContact CD2-CD1 3.46Å; L299-L526 HydrophobicContact CD2-CD2 3.61Å; L299-L526 HydrophobicContact CD2-CG 4.16Å; L299-L526 HydrophobicContact CG-CD2 4.14Å; V302-L526 HydrophobicContact CG2-CD2 4.44Å; R319-L526 PolarHBondContact NE-O 3.16Å; R319-L526 PolarHBondContact NH2-O 3.23Å; F522-L526 HydrophobicContact CE1-CD2 4.23Å; F522-L526 PolarHBondContact O-N 3.22Å; L523-L526 HydrophobicContact CD2-CD2 3.95Å; L523-L526 PolarHBondContact O-N 2.88Å; L526-L563 HydrophobicContact CD1-CD1 4.4Å
527	L	95.6	Very high	95.9	Very high	12 Å²	12	17.4 Å²	17.4	6%	0.063	10%	0.095	C	C	.	.	H	α-helix	trans	-94.5	-21.6	-167.8	-59.4	173.8	0	0	0	113.6	I114 V302 L315 L523 V525	I114-L527 HydrophobicContact CG1-CD1 4.36Å; I114-L527 HydrophobicContact CG2-CD2 3.92Å; V302-L527 HydrophobicContact CG2-CD2 3.79Å; L315-L527 HydrophobicContact CD1-CD2 4.23Å; L523-L527 WeakPolarHBondContact O-CB 3.43Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 3.19Å; V525-L527 PolarHBondContact O-N 3.08Å
528	N	94.6	Very high	95.9	Very high	21 Å²	21	14.4 Å²	14.4	11%	0.112	8%	0.08	C	C	.	.			trans	-103.5	121.7	178.8	-62.9	-78.1	0	0	0	111.5	R319 T524 I530	R319-N528 WeakPolarHBondContact CD-O 2.89Å; T524-N528 VanDerWaalsContact O-CB 3.23Å; T524-N528 WeakPolarHBondContact O-CB 3.4Å; T524-N528 PolarHBondContact O-N 3.5Å; T524-N528 PolarHBondContact O-ND2 3.3Å; N528-I530 PolarHBondContact O-N 3.48Å
529	P	95.4	Very high	96.1	Very high	14 Å²	14	14.3 Å²	14.3	9%	0.091	8%	0.078	C	C	.	.	S	Bend	trans	-62.6	-27.2	173.1	-27.5	37.9	0	0	0	113.8	R319 Y320 L580 F581	R319-P529 WeakPolarHBondContact CA-O 3.47Å; Y320-P529 WeakPolarHBondContact CD2-O 3.1Å; Y320-P529 PolarHBondContact N-O 2.97Å; P529-L580 HydrophobicContact CB-CD1 4.09Å; P529-F581 HydrophobicContact CG-CZ 4.12Å
530	I	96.3	Very high	96.3	Very high	6 Å²	6	13.4 Å²	13.4	3%	0.031	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.3	-179.3	-65.1	169.5	0	0	0	108.5	Y320 N528 L573 K576 Y577 L580	Y320-I530 HydrophobicContact CD2-CG1 3.83Å; Y320-I530 HydrophobicContact CG-CG1 4.22Å; Y320-I530 WeakPolarHBondContact O-CA 3.31Å; N528-I530 PolarHBondContact O-N 3.48Å; I530-L573 HydrophobicContact CD1-CD1 4.24Å; I530-L573 HydrophobicContact CG1-CD1 4.11Å; I530-L573 HydrophobicContact CG2-CD1 3.7Å; I530-L573 HydrophobicContact CG2-CD2 4.02Å; I530-L573 HydrophobicContact CG2-CG 3.86Å; I530-K576 HydrophobicContact CD1-CB 4.34Å; I530-K576 HydrophobicContact CD1-CG 4.14Å; I530-Y577 HydrophobicContact CB-CD2 4.29Å; I530-Y577 VanDerWaalsContact CD1-CA 3.46Å; I530-Y577 HydrophobicContact CD1-CD2 3.84Å; I530-Y577 HydrophobicContact CD1-CG 4.26Å; I530-Y577 HydrophobicContact CG2-CD2 4.39Å; I530-L580 HydrophobicContact CD1-CD1 4.02Å; I530-L580 HydrophobicContact CG1-CD1 4.47Å
531	S	96.7	Very high	96.3	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.014	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	116.8	179.2	-61.9	0	0	0	0	110.5	Y320 I321 L322	Y320-S531 PolarHBondContact O-N 2.81Å; I321-S531 WeakPolarHBondContact CA-O 3.43Å; L322-S531 PolarHBondContact N-O 2.92Å
532	I	98.1	Very high	96.2	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112.1	169.4	-54.7	173.5	0	0	0	106.7	L322 D324 L488 R490 Q491 L573	L322-I532 HydrophobicContact CB-CG1 4.25Å; L322-I532 HydrophobicContact CB-CG2 4.36Å; L322-I532 HydrophobicContact CD2-CG1 4.32Å; L322-I532 HydrophobicContact CD2-CG2 4.09Å; L322-I532 HydrophobicContact CG-CG2 4.37Å; L322-I532 CarbonylContact O-C 3.5Å; L322-I532 WeakPolarHBondContact O-CA 3.28Å; D324-I532 WeakPolarHBondContact OD2-CG2 3.45Å; L488-I532 HydrophobicContact CB-CD1 3.64Å; L488-I532 HydrophobicContact CD1-CD1 3.71Å; L488-I532 HydrophobicContact CG-CD1 4.33Å; R490-I532 CarbonylContact C-O 3.28Å; R490-I532 WeakPolarHBondContact CA-O 3.5Å; R490-I532 HydrophobicContact CG-CB 4.26Å; R490-I532 HydrophobicContact CG-CG2 4.01Å; R490-I532 VanDerWaalsContact CG-O 3.27Å; R490-I532 WeakPolarHBondContact CG-O 3.39Å; Q491-I532 PolarHBondContact N-O 3.05Å; I532-L573 HydrophobicContact CD1-CD2 4.04Å; I532-L573 HydrophobicContact CG1-CD2 3.84Å
533	F	98.1	Very high	96.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.5	-179.6	-67.8	-75.7	0	0	0	111.2	I321 L322 D324 Q491 C493 L521 T524 V525 F550	I321-F533 HydrophobicContact CG2-CD2 3.97Å; I321-F533 HydrophobicContact CG2-CE2 4.02Å; L322-F533 PolarHBondContact O-N 3.36Å; D324-F533 PolarHBondContact N-O 2.56Å; Q491-F533 HydrophobicContact CB-CD1 3.74Å; Q491-F533 HydrophobicContact CB-CE1 3.79Å; Q491-F533 WeakPolarHBondContact O-CA 3.3Å; C493-F533 HydrophobicContact CB-CD1 3.92Å; L521-F533 HydrophobicContact CD1-CD1 3.99Å; L521-F533 HydrophobicContact CD1-CE1 3.3Å; L521-F533 HydrophobicContact CD1-CZ 3.66Å; T524-F533 HydrophobicContact CG2-CE1 3.94Å; T524-F533 HydrophobicContact CG2-CZ 4.04Å; V525-F533 HydrophobicContact CG2-CE2 4.16Å; V525-F533 HydrophobicContact CG2-CZ 3.89Å; F533-F550 HydrophobicContact CB-CE1 3.99Å; F533-F550 HydrophobicContact CB-CZ 3.63Å; F533-F550 AromaticContact CD2-CE1 3.65Å; F533-F550 HydrophobicContact CD2-CE1 3.65Å; F533-F550 HydrophobicContact CD2-CZ 4.21Å; F533-F550 HydrophobicContact CE2-CE1 4.25Å; F533-F550 AromaticContact CG-CE1 3.81Å; F533-F550 HydrophobicContact CG-CE1 3.81Å; F533-F550 AromaticContact CG-CZ 3.95Å; F533-F550 HydrophobicContact CG-CZ 3.95Å
534	M	95.9	Very high	96.2	Very high	28 Å²	28	16.3 Å²	16.3	14%	0.138	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.3	169.3	-175.7	176	64.3	0	0	110.8	H440 R490 Q491 C493	H440-M534 PolarHBondContact NE2-SD 3.46Å; R490-M534 HydrophobicContact CG-CB 4.33Å; Q491-M534 PolarHBondContact O-N 3.16Å; C493-M534 PolarHBondContact SG-O 3.36Å
535	T	97.6	Very high	96.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	174.4	162.8	54.7	0	0	0	0	109.5	V323 D324 D326 L495 Y540 F550	V323-T535 HydrophobicContact CG1-CG2 4.39Å; D324-T535 PolarHBondContact O-N 2.9Å; D324-T535 PolarHBondContact O-OG1 3.28Å; D324-T535 VanDerWaalsContact O-OG1 3.08Å; D326-T535 PolarHBondContact N-O 3.44Å; L495-T535 HydrophobicContact CD1-CG2 3.97Å; T535-Y540 HydrophobicContact CG2-CE2 4.48Å; T535-Y540 WeakPolarHBondContact OG1-CE2 3.4Å; T535-Y540 PolarHBondContact OG1-OH 3.25Å; T535-F550 HydrophobicContact CG2-CE2 3.72Å; T535-F550 HydrophobicContact CG2-CZ 4.2Å
536	H	97.6	Very high	96.2	Very high	27 Å²	27	15.5 Å²	15.5	13%	0.125	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.6	-179.8	-55.1	77.9	0	0	0	110	D326 D327 T497 S538 N539 Y540	D326-H536 CarbonylContact O-C 3.41Å; D326-H536 WeakPolarHBondContact O-CA 3.43Å; D327-H536 IonicContact OD2-CD2 3.36Å; D327-H536 PolarHBondContact OD2-CD2 3.29Å; T497-H536 HydrophobicContact CG2-CB 3.86Å; T497-H536 VanDerWaalsContact CG2-CD2 3.47Å; T497-H536 WeakPolarHBondContact CG2-CD2 3.28Å; T497-H536 WeakPolarHBondContact CG2-ND1 3.46Å; H536-S538 PolarHBondContact O-N 3.42Å; H536-S538 VanDerWaalsContact O-N 3.09Å; H536-N539 PolarHBondContact N-OD1 3.05Å; H536-N539 VanDerWaalsContact O-CB 3.32Å; H536-N539 WeakPolarHBondContact O-CB 3.16Å; H536-N539 PolarHBondContact O-N 3.14Å; H536-N539 PolarHBondContact O-OD1 2.79Å; H536-Y540 WeakPolarHBondContact O-CD2 3.5Å
537	L	97.1	Very high	96.3	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-45.6	-43.1	179	173.3	144.5	0	0	0	113.3	D326 D327 I328 R336 M337 N539 Y540	D326-L537 PolarHBondContact O-N 2.98Å; D327-L537 WeakPolarHBondContact O-CB 3.39Å; I328-L537 HydrophobicContact CD1-CB 4.21Å; I328-L537 HydrophobicContact CD1-CD1 4.05Å; R336-L537 HydrophobicContact CB-CD2 4.09Å; R336-L537 HydrophobicContact CG-CD2 4.32Å; M337-L537 HydrophobicContact CE-CD1 3.96Å; M337-L537 HydrophobicContact CE-CG 3.91Å; L537-N539 PolarHBondContact O-N 3.33Å; L537-N539 VanDerWaalsContact O-N 3.16Å; L537-Y540 PolarHBondContact O-N 3.39Å
538	S	95.6	Very high	96.4	Very high	10 Å²	10	19.8 Å²	19.8	7%	0.07	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-63.7	-21.4	-178.4	62.1	0	0	0	0	114.1	T335 T497 I500 H536 Y540	T335-S538 WeakPolarHBondContact O-CA 3.31Å; T497-S538 PolarHBondContact O-OG 3.11Å; I500-S538 WeakPolarHBondContact CG2-O 3.41Å; H536-S538 PolarHBondContact O-N 3.42Å; H536-S538 VanDerWaalsContact O-N 3.09Å; S538-Y540 PolarHBondContact O-N 3.28Å
539	N	96.6	Very high	96.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-72.3	-11.9	175.6	-56.6	139.9	0	0	0	113.1	L495 F496 H536 L537 R544 L545 G546	L495-N539 HydrophobicContact CD1-CB 4.39Å; F496-N539 PolarHBondContact O-ND2 2.87Å; H536-N539 PolarHBondContact N-OD1 3.05Å; H536-N539 VanDerWaalsContact O-CB 3.32Å; H536-N539 WeakPolarHBondContact O-CB 3.16Å; H536-N539 PolarHBondContact O-N 3.14Å; H536-N539 PolarHBondContact O-OD1 2.79Å; L537-N539 PolarHBondContact O-N 3.33Å; L537-N539 VanDerWaalsContact O-N 3.16Å; N539-R544 CarbonylContact O-C 3.31Å; N539-L545 PolarHBondContact O-N 3.05Å; N539-L545 VanDerWaalsContact O-N 3.13Å; N539-G546 PolarHBondContact O-N 3.3Å
540	Y	97.4	Very high	96.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-8.4	-177.3	-61.3	-91.3	0	0	0	112.9	V323 I325 D341 L345 F361 T535 H536 L537 S538 R544 L547	V323-Y540 WeakPolarHBondContact CG1-OH 3.49Å; I325-Y540 HydrophobicContact CB-CE2 4.18Å; I325-Y540 HydrophobicContact CD1-CD1 4.25Å; I325-Y540 HydrophobicContact CD1-CD2 3.92Å; I325-Y540 HydrophobicContact CD1-CE1 3.88Å; I325-Y540 HydrophobicContact CD1-CE2 3.55Å; I325-Y540 HydrophobicContact CD1-CG 4.26Å; I325-Y540 HydrophobicContact CG1-CD2 4.26Å; I325-Y540 HydrophobicContact CG1-CE2 3.53Å; I325-Y540 HydrophobicContact CG2-CD2 3.8Å; I325-Y540 HydrophobicContact CG2-CE2 3.71Å; D341-Y540 WeakPolarHBondContact CB-O 3.28Å; L345-Y540 HydrophobicContact CD1-CD1 3.66Å; L345-Y540 HydrophobicContact CD1-CE1 3.92Å; L345-Y540 HydrophobicContact CD1-CG 4.45Å; F361-Y540 AromaticContact CE1-CE1 3.98Å; F361-Y540 HydrophobicContact CE1-CE1 3.98Å; F361-Y540 HydrophobicContact CZ-CE1 4.22Å; T535-Y540 HydrophobicContact CG2-CE2 4.48Å; T535-Y540 WeakPolarHBondContact OG1-CE2 3.4Å; T535-Y540 PolarHBondContact OG1-OH 3.25Å; H536-Y540 WeakPolarHBondContact O-CD2 3.5Å; L537-Y540 PolarHBondContact O-N 3.39Å; S538-Y540 PolarHBondContact O-N 3.28Å; Y540-R544 WeakPolarHBondContact O-CG 3.32Å; Y540-L547 HydrophobicContact CD1-CD2 3.55Å; Y540-L547 HydrophobicContact CD1-CG 3.88Å; Y540-L547 HydrophobicContact CE1-CD2 3.72Å; Y540-L547 HydrophobicContact CE1-CG 4.35Å
541	G	93.9	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-82.6	169.4	166.9	0	0	0	0	0	112.2	D543 R544	G541-D543 PolarHBondContact O-N 2.81Å; G541-D543 VanDerWaalsContact O-N 3.14Å; G541-R544 PolarHBondContact O-N 3.17Å
542	N	93.6	Very high	96.7	Very high	47 Å²	47	23.6 Å²	23.6	25%	0.251	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-111.6	172.9	-60.6	-67.7	0	0	0	113.5	G334 F501 R544	G334-N542 PolarHBondContact O-ND2 3.05Å; F501-N542 HydrophobicContact CD1-CB 4.3Å; F501-N542 HydrophobicContact CE1-CB 3.77Å; F501-N542 HydrophobicContact CZ-CB 4.3Å; N542-R544 PolarHBondContact O-N 3.37Å
543	D	95.2	Very high	96.7	Very high	76 Å²	76	23.6 Å²	23.6	41%	0.406	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.2	-178.5	-73.6	0.9	0	0	0	113.3	F501 Y502 G541 L545	F501-D543 VanDerWaalsContact CA-OD2 3.23Å; F501-D543 WeakPolarHBondContact CA-OD2 3.38Å; Y502-D543 PolarHBondContact N-OD2 3.42Å; G541-D543 PolarHBondContact O-N 2.81Å; G541-D543 VanDerWaalsContact O-N 3.14Å; D543-L545 VanDerWaalsContact C-N 3.32Å; D543-L545 HydrophobicContact CB-CD2 3.95Å; D543-L545 HydrophobicContact CB-CG 4.47Å; D543-L545 PolarHBondContact O-N 2.9Å
544	R	96.3	Very high	96.7	Very high	75 Å²	75	23.9 Å²	23.9	28%	0.283	11%	0.113	S	C	.	.			trans	55.2	43.5	173.9	-57.6	159.2	-172.9	175.4	4.4	113.2	P340 D341 N539 Y540 G541 N542 G546 L547 Y548	P340-R544 VanDerWaalsContact C-NH2 3.27Å; P340-R544 PolarHBondContact O-NH2 3.11Å; D341-R544 IonicContact OD1-CZ 2.86Å; D341-R544 VanDerWaalsContact OD1-CZ 3.23Å; D341-R544 IonicContact OD1-NE 3.03Å; D341-R544 PolarHBondContact OD1-NE 3.48Å; D341-R544 IonicContact OD1-NH2 2.9Å; D341-R544 PolarHBondContact OD1-NH2 2.91Å; N539-R544 CarbonylContact O-C 3.31Å; Y540-R544 WeakPolarHBondContact O-CG 3.32Å; G541-R544 PolarHBondContact O-N 3.17Å; N542-R544 PolarHBondContact O-N 3.37Å; R544-G546 PolarHBondContact O-N 3.33Å; R544-G546 VanDerWaalsContact O-N 3.1Å; R544-L547 HydrophobicContact CB-CB 4.23Å; R544-L547 HydrophobicContact CB-CD1 3.95Å; R544-L547 HydrophobicContact CB-CG 4.11Å; R544-L547 HydrophobicContact CG-CD1 4.18Å; R544-L547 WeakPolarHBondContact O-CB 3.38Å; R544-L547 PolarHBondContact O-N 2.93Å; R544-Y548 PolarHBondContact O-N 3.26Å
545	L	96.1	Very high	96.8	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-53	-36.8	-177.2	-57.2	-173.2	0	0	0	112.4	L495 T499 Y502 N539 D543 L547 Y548 T549	L495-L545 HydrophobicContact CD2-CB 3.88Å; T499-L545 HydrophobicContact CG2-CD1 4.11Å; Y502-L545 HydrophobicContact CD2-CD2 4.06Å; Y502-L545 HydrophobicContact CG-CD2 4.43Å; N539-L545 PolarHBondContact O-N 3.05Å; N539-L545 VanDerWaalsContact O-N 3.13Å; D543-L545 VanDerWaalsContact C-N 3.32Å; D543-L545 HydrophobicContact CB-CD2 3.95Å; D543-L545 HydrophobicContact CB-CG 4.47Å; D543-L545 PolarHBondContact O-N 2.9Å; L545-L547 PolarHBondContact O-N 3.26Å; L545-Y548 PolarHBondContact O-N 3.16Å; L545-T549 WeakPolarHBondContact O-CB 3.37Å; L545-T549 PolarHBondContact O-N 3.07Å; L545-T549 PolarHBondContact O-OG1 2.94Å
546	G	97.1	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.9	-43.5	174.5	0	0	0	0	0	113.7	N539 R544 F550	N539-G546 PolarHBondContact O-N 3.3Å; R544-G546 PolarHBondContact O-N 3.33Å; R544-G546 VanDerWaalsContact O-N 3.1Å; G546-F550 VanDerWaalsContact O-CD2 3.26Å; G546-F550 WeakPolarHBondContact O-CD2 3.41Å; G546-F550 PolarHBondContact O-N 3.4Å
547	L	97.9	Very high	96.7	Very high	12 Å²	12	26.5 Å²	26.5	6%	0.063	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-45.6	178.3	-58.5	-175.7	0	0	0	111.1	A344 L345 T348 F361 Y540 R544 L545 T549 K551	A344-L547 HydrophobicContact CB-CD1 3.83Å; L345-L547 HydrophobicContact CD1-CD2 3.72Å; T348-L547 HydrophobicContact CG2-CB 4.31Å; T348-L547 HydrophobicContact CG2-CD2 4.02Å; F361-L547 HydrophobicContact CE2-CD2 4.34Å; F361-L547 HydrophobicContact CZ-CD2 4.03Å; Y540-L547 HydrophobicContact CD1-CD2 3.55Å; Y540-L547 HydrophobicContact CD1-CG 3.88Å; Y540-L547 HydrophobicContact CE1-CD2 3.72Å; Y540-L547 HydrophobicContact CE1-CG 4.35Å; R544-L547 HydrophobicContact CB-CB 4.23Å; R544-L547 HydrophobicContact CB-CD1 3.95Å; R544-L547 HydrophobicContact CB-CG 4.11Å; R544-L547 HydrophobicContact CG-CD1 4.18Å; R544-L547 WeakPolarHBondContact O-CB 3.38Å; R544-L547 PolarHBondContact O-N 2.93Å; L545-L547 PolarHBondContact O-N 3.26Å; L547-T549 PolarHBondContact O-N 3.44Å; L547-K551 VanDerWaalsContact O-CB 3.24Å; L547-K551 WeakPolarHBondContact O-CB 3.11Å; L547-K551 PolarHBondContact O-N 3.08Å; L547-K551 VanDerWaalsContact O-N 3.1Å
548	Y	96.6	Very high	96.6	Very high	91 Å²	91	30.3 Å²	30.3	36%	0.357	14%	0.142	S	C	.	.	H	α-helix	trans	-56.5	-50.7	176.2	174.6	-108	0	0	0	111.5	Y502 L512 D513 I516 R544 L545 F550 K551 S552	Y502-Y548 HydrophobicContact CE2-CE1 4.49Å; L512-Y548 HydrophobicContact CD2-CD1 4.03Å; L512-Y548 HydrophobicContact CD2-CE1 4.3Å; D513-Y548 VanDerWaalsContact OD1-CE1 3.3Å; D513-Y548 WeakPolarHBondContact OD1-CE1 3.37Å; D513-Y548 VanDerWaalsContact OD1-CZ 3.31Å; D513-Y548 PolarHBondContact OD1-OH 3.48Å; I516-Y548 HydrophobicContact CD1-CD1 4.47Å; I516-Y548 HydrophobicContact CD1-CE1 4.12Å; R544-Y548 PolarHBondContact O-N 3.26Å; L545-Y548 PolarHBondContact O-N 3.16Å; Y548-F550 PolarHBondContact O-N 3.1Å; Y548-K551 PolarHBondContact O-N 2.53Å; Y548-S552 WeakPolarHBondContact CE2-OG 3.27Å; Y548-S552 VanDerWaalsContact O-CB 3.29Å; Y548-S552 WeakPolarHBondContact O-CB 3.37Å; Y548-S552 PolarHBondContact O-N 3.05Å; Y548-S552 PolarHBondContact O-OG 3.43Å; Y548-S552 VanDerWaalsContact O-OG 3.05Å
549	T	97.1	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.6	-52.5	-176.4	-63.2	0	0	0	0	112.6	L495 I516 L521 L545 L547 L553	L495-T549 HydrophobicContact CD1-CG2 4.48Å; I516-T549 HydrophobicContact CD1-CG2 4.21Å; I516-T549 HydrophobicContact CG1-CG2 4.22Å; L521-T549 HydrophobicContact CD2-CG2 3.39Å; L545-T549 WeakPolarHBondContact O-CB 3.37Å; L545-T549 PolarHBondContact O-N 3.07Å; L545-T549 PolarHBondContact O-OG1 2.94Å; L547-T549 PolarHBondContact O-N 3.44Å; T549-L553 WeakPolarHBondContact O-CB 3.38Å; T549-L553 PolarHBondContact O-N 2.87Å
550	F	98.1	Very high	96.5	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-75.2	-32.9	-175.7	-70.9	-68.5	0	0	0	113	V323 C493 F533 T535 G546 Y548 L553 V554	V323-F550 HydrophobicContact CB-CE2 4.4Å; V323-F550 HydrophobicContact CB-CZ 4.47Å; V323-F550 HydrophobicContact CG1-CD2 4.03Å; V323-F550 HydrophobicContact CG1-CE2 3.49Å; V323-F550 VanDerWaalsContact CG1-CE2 3.49Å; V323-F550 HydrophobicContact CG1-CZ 3.86Å; V323-F550 HydrophobicContact CG2-CD1 3.91Å; V323-F550 HydrophobicContact CG2-CD2 4.12Å; V323-F550 HydrophobicContact CG2-CE1 3.73Å; V323-F550 HydrophobicContact CG2-CE2 3.94Å; V323-F550 HydrophobicContact CG2-CG 4.12Å; V323-F550 HydrophobicContact CG2-CZ 3.76Å; C493-F550 HydrophobicContact CB-CZ 4.25Å; F533-F550 HydrophobicContact CB-CE1 3.99Å; F533-F550 HydrophobicContact CB-CZ 3.63Å; F533-F550 AromaticContact CD2-CE1 3.65Å; F533-F550 HydrophobicContact CD2-CE1 3.65Å; F533-F550 HydrophobicContact CD2-CZ 4.21Å; F533-F550 HydrophobicContact CE2-CE1 4.25Å; F533-F550 AromaticContact CG-CE1 3.81Å; F533-F550 HydrophobicContact CG-CE1 3.81Å; F533-F550 AromaticContact CG-CZ 3.95Å; F533-F550 HydrophobicContact CG-CZ 3.95Å; T535-F550 HydrophobicContact CG2-CE2 3.72Å; T535-F550 HydrophobicContact CG2-CZ 4.2Å; G546-F550 VanDerWaalsContact O-CD2 3.26Å; G546-F550 WeakPolarHBondContact O-CD2 3.41Å; G546-F550 PolarHBondContact O-N 3.4Å; Y548-F550 PolarHBondContact O-N 3.1Å; F550-L553 HydrophobicContact CD1-CD2 4.25Å; F550-V554 WeakPolarHBondContact O-CB 3.46Å; F550-V554 VanDerWaalsContact O-CG2 3.32Å; F550-V554 WeakPolarHBondContact O-CG2 3.3Å; F550-V554 PolarHBondContact O-N 2.69Å
551	K	97.8	Very high	96.5	Very high	90 Å²	90	32.3 Å²	32.3	39%	0.391	15%	0.153	S	C	.	.	H	α-helix	trans	-62	-50.3	172.8	-176.1	169.9	177.3	165.1	0	110.7	E351 L547 Y548 V554 M555	E351-K551 IonicContact OE1-NZ 3.39Å; E351-K551 PolarHBondContact OE1-NZ 2.8Å; E351-K551 VanDerWaalsContact OE2-CE 3.24Å; E351-K551 WeakPolarHBondContact OE2-CE 3.24Å; E351-K551 IonicContact OE2-NZ 2.67Å; E351-K551 PolarHBondContact OE2-NZ 3.15Å; L547-K551 VanDerWaalsContact O-CB 3.24Å; L547-K551 WeakPolarHBondContact O-CB 3.11Å; L547-K551 PolarHBondContact O-N 3.08Å; L547-K551 VanDerWaalsContact O-N 3.1Å; Y548-K551 PolarHBondContact O-N 2.53Å; K551-V554 PolarHBondContact O-N 3.29Å; K551-M555 VanDerWaalsContact O-CG 3.32Å; K551-M555 WeakPolarHBondContact O-CG 3.45Å; K551-M555 PolarHBondContact O-N 2.71Å; K551-M555 VanDerWaalsContact O-N 3.13Å
552	S	97.5	Very high	96.7	Very high	30 Å²	30	35 Å²	35	21%	0.21	17%	0.167	C	C	.	.	H	α-helix	trans	-64.4	-42.1	179.3	-63.4	0	0	0	0	112	Y548 M555 F556	Y548-S552 WeakPolarHBondContact CE2-OG 3.27Å; Y548-S552 VanDerWaalsContact O-CB 3.29Å; Y548-S552 WeakPolarHBondContact O-CB 3.37Å; Y548-S552 PolarHBondContact O-N 3.05Å; Y548-S552 PolarHBondContact O-OG 3.43Å; Y548-S552 VanDerWaalsContact O-OG 3.05Å; S552-M555 PolarHBondContact O-N 2.74Å; S552-F556 WeakPolarHBondContact O-CB 3.48Å; S552-F556 PolarHBondContact O-N 3.5Å
553	L	98.1	Very high	96.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-49.4	176.4	178.3	65.2	0	0	0	112.4	I516 L521 F522 V525 T549 F550 M555 F556 V557	I516-L553 HydrophobicContact CG2-CB 4.23Å; L521-L553 HydrophobicContact CD1-CD2 4.01Å; L521-L553 HydrophobicContact CD2-CD2 3.99Å; L521-L553 HydrophobicContact CG-CD1 4.06Å; L521-L553 HydrophobicContact CG-CD2 3.74Å; L521-L553 HydrophobicContact CG-CG 4.45Å; F522-L553 HydrophobicContact CB-CD1 4.32Å; V525-L553 HydrophobicContact CG2-CD2 3.98Å; T549-L553 WeakPolarHBondContact O-CB 3.38Å; T549-L553 PolarHBondContact O-N 2.87Å; F550-L553 HydrophobicContact CD1-CD2 4.25Å; L553-M555 VanDerWaalsContact C-N 3.29Å; L553-M555 PolarHBondContact O-N 3.08Å; L553-F556 PolarHBondContact O-N 3.32Å; L553-V557 HydrophobicContact CD1-CG2 4.12Å; L553-V557 HydrophobicContact CG-CG2 4.43Å; L553-V557 WeakPolarHBondContact O-CB 3.42Å; L553-V557 VanDerWaalsContact O-CG2 3.3Å; L553-V557 WeakPolarHBondContact O-CG2 3.33Å; L553-V557 PolarHBondContact O-N 2.73Å
554	V	98.1	Very high	97	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.036	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-40.8	-179.5	164.3	0	0	0	0	110.9	L352 H355 V356 F550 K551 K558 M565	L352-V554 HydrophobicContact CD2-CB 4.05Å; L352-V554 HydrophobicContact CD2-CG1 4.21Å; L352-V554 HydrophobicContact CD2-CG2 3.95Å; H355-V554 HydrophobicContact CB-CG1 3.64Å; V356-V554 HydrophobicContact CG2-CG1 4.01Å; V356-V554 HydrophobicContact CG2-CG2 3.87Å; F550-V554 WeakPolarHBondContact O-CB 3.46Å; F550-V554 VanDerWaalsContact O-CG2 3.32Å; F550-V554 WeakPolarHBondContact O-CG2 3.3Å; F550-V554 PolarHBondContact O-N 2.69Å; K551-V554 PolarHBondContact O-N 3.29Å; V554-K558 VanDerWaalsContact O-CB 3.26Å; V554-K558 WeakPolarHBondContact O-CB 3.5Å; V554-K558 PolarHBondContact O-N 2.73Å; V554-M565 HydrophobicContact CB-CE 4.18Å; V554-M565 HydrophobicContact CG1-CE 3.77Å; V554-M565 HydrophobicContact CG2-CE 4.19Å; V554-M565 HydrophobicContact CG2-SD 4.17Å
555	M	96.8	Very high	97.1	Very high	86 Å²	86	32.8 Å²	32.8	42%	0.424	15%	0.154	S	C	.	.	H	α-helix	trans	-66.4	-42.5	176.3	-69.6	-57.2	-69	0	0	112.4	K551 S552 L553 K558 T559	K551-M555 VanDerWaalsContact O-CG 3.32Å; K551-M555 WeakPolarHBondContact O-CG 3.45Å; K551-M555 PolarHBondContact O-N 2.71Å; K551-M555 VanDerWaalsContact O-N 3.13Å; S552-M555 PolarHBondContact O-N 2.74Å; L553-M555 VanDerWaalsContact C-N 3.29Å; L553-M555 PolarHBondContact O-N 3.08Å; M555-K558 PolarHBondContact O-N 3.13Å; M555-T559 WeakPolarHBondContact O-CB 3.5Å; M555-T559 PolarHBondContact O-N 3.4Å; M555-T559 PolarHBondContact O-OG1 2.81Å
556	F	96.5	Very high	97.2	Very high	23 Å²	23	34.8 Å²	34.8	10%	0.101	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-48.8	176.7	-170.6	-90.8	0	0	0	111.7	W295 N517 F522 S552 L553 K558 T559 W560	W295-F556 HydrophobicContact CD2-CZ 4.33Å; W295-F556 HydrophobicContact CE3-CE1 4.47Å; W295-F556 HydrophobicContact CE3-CZ 4.24Å; W295-F556 HydrophobicContact CH2-CZ 4.02Å; W295-F556 HydrophobicContact CZ2-CZ 4.06Å; W295-F556 HydrophobicContact CZ3-CE1 4.37Å; W295-F556 HydrophobicContact CZ3-CZ 4.07Å; N517-F556 HydrophobicContact CB-CD2 4.17Å; N517-F556 HydrophobicContact CB-CE2 3.9Å; N517-F556 HydrophobicContact CB-CZ 4.45Å; N517-F556 WeakPolarHBondContact OD1-CD2 3.49Å; F522-F556 HydrophobicContact CD1-CE1 4.27Å; F522-F556 AromaticContact CD2-CD1 3.64Å; F522-F556 HydrophobicContact CD2-CD1 3.64Å; F522-F556 AromaticContact CD2-CE1 3.82Å; F522-F556 HydrophobicContact CD2-CE1 3.82Å; F522-F556 HydrophobicContact CE1-CE1 4.39Å; F522-F556 AromaticContact CE2-CD1 3.97Å; F522-F556 HydrophobicContact CE2-CD1 3.97Å; F522-F556 AromaticContact CE2-CE1 3.97Å; F522-F556 HydrophobicContact CE2-CE1 3.97Å; F522-F556 HydrophobicContact CG-CD1 4.11Å; F522-F556 AromaticContact CG-CE1 3.97Å; F522-F556 HydrophobicContact CG-CE1 3.97Å; F522-F556 HydrophobicContact CZ-CE1 4.24Å; S552-F556 WeakPolarHBondContact O-CB 3.48Å; S552-F556 PolarHBondContact O-N 3.5Å; L553-F556 PolarHBondContact O-N 3.32Å; F556-K558 VanDerWaalsContact C-N 3.35Å; F556-K558 PolarHBondContact O-N 3.47Å; F556-T559 WeakPolarHBondContact O-CB 3.48Å; F556-T559 PolarHBondContact O-N 3.02Å; F556-T559 VanDerWaalsContact O-N 3.11Å; F556-W560 AromaticContact CD2-CD1 3.81Å; F556-W560 AromaticContact CD2-NE1 3.99Å; F556-W560 AromaticContact CE1-CD1 3.86Å; F556-W560 AromaticContact CE2-CD1 3.54Å; F556-W560 AromaticContact CE2-NE1 3.54Å; F556-W560 AromaticContact CZ-CD1 3.56Å; F556-W560 HydrophobicContact CZ-CG 4.35Å; F556-W560 AromaticContact CZ-NE1 3.88Å; F556-W560 PolarHBondContact O-N 3.44Å; F556-W560 VanDerWaalsContact O-N 3.11Å
557	V	97.1	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-46.8	176.7	171.6	0	0	0	0	111	F522 V525 L553 T559 W560 T561 L563 M565	F522-V557 HydrophobicContact CD2-CG2 3.79Å; F522-V557 HydrophobicContact CE2-CG2 4Å; V525-V557 HydrophobicContact CG1-CG2 4.19Å; L553-V557 HydrophobicContact CD1-CG2 4.12Å; L553-V557 HydrophobicContact CG-CG2 4.43Å; L553-V557 WeakPolarHBondContact O-CB 3.42Å; L553-V557 VanDerWaalsContact O-CG2 3.3Å; L553-V557 WeakPolarHBondContact O-CG2 3.33Å; L553-V557 PolarHBondContact O-N 2.73Å; V557-T559 PolarHBondContact O-N 3.16Å; V557-W560 PolarHBondContact O-N 3.38Å; V557-T561 WeakPolarHBondContact CG1-OG1 3.4Å; V557-T561 WeakPolarHBondContact O-CB 3.39Å; V557-T561 PolarHBondContact O-N 3.06Å; V557-T561 PolarHBondContact O-OG1 3.35Å; V557-L563 HydrophobicContact CG1-CB 4.14Å; V557-L563 HydrophobicContact CG1-CD1 4.18Å; V557-M565 HydrophobicContact CB-CE 3.98Å; V557-M565 HydrophobicContact CB-SD 4.11Å; V557-M565 HydrophobicContact CG1-CE 3.77Å; V557-M565 HydrophobicContact CG1-CG 4.42Å; V557-M565 HydrophobicContact CG1-SD 3.77Å
558	K	95.3	Very high	97.2	Very high	81 Å²	81	35.6 Å²	35.6	35%	0.352	17%	0.168	S	C	.	.	H	α-helix	trans	-62.3	-32.8	178.5	-179.4	-178.2	176	-173.7	0	112.4	R222 H355 V554 M555 F556	R222-K558 PolarHBondContact NH1-O 3.43Å; R222-K558 PolarHBondContact NH2-O 3.41Å; H355-K558 PolarHBondContact CE1-NZ 3.22Å; H355-K558 PolarHBondContact ND1-NZ 3.16Å; H355-K558 PolarHBondContact NE2-NZ 3.14Å; V554-K558 VanDerWaalsContact O-CB 3.26Å; V554-K558 WeakPolarHBondContact O-CB 3.5Å; V554-K558 PolarHBondContact O-N 2.73Å; M555-K558 PolarHBondContact O-N 3.13Å; F556-K558 VanDerWaalsContact C-N 3.35Å; F556-K558 PolarHBondContact O-N 3.47Å
559	T	94.8	Very high	97.2	Very high	38 Å²	38	33.1 Å²	33.1	23%	0.233	16%	0.163	C	C	.	.	H	α-helix	trans	-72.9	-46	-177.5	-61.4	0	0	0	0	111.1	Q225 M555 F556 V557	Q225-T559 HydrophobicContact CG-CG2 4.43Å; Q225-T559 VanDerWaalsContact OE1-CG2 3.27Å; M555-T559 WeakPolarHBondContact O-CB 3.5Å; M555-T559 PolarHBondContact O-N 3.4Å; M555-T559 PolarHBondContact O-OG1 2.81Å; F556-T559 WeakPolarHBondContact O-CB 3.48Å; F556-T559 PolarHBondContact O-N 3.02Å; F556-T559 VanDerWaalsContact O-N 3.11Å; V557-T559 PolarHBondContact O-N 3.16Å
560	W	96.2	Very high	97.2	Very high	16 Å²	16	33.3 Å²	33.3	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-101.6	-7.4	-168.6	-67.1	106.8	0	0	0	115.1	R222 Q225 L227 W295 L299 F556 V557	R222-W560 PolarHBondContact N-O 3.44Å; Q225-W560 HydrophobicContact CB-CH2 4.36Å; L227-W560 HydrophobicContact CB-CH2 3.73Å; L227-W560 HydrophobicContact CB-CZ2 4.19Å; L227-W560 HydrophobicContact CD1-CH2 4.42Å; L227-W560 HydrophobicContact CD1-CZ2 4.03Å; W295-W560 HydrophobicContact CH2-CB 4.36Å; W295-W560 AromaticContact CH2-CD2 3.42Å; W295-W560 HydrophobicContact CH2-CD2 3.42Å; W295-W560 VanDerWaalsContact CH2-CD2 3.42Å; W295-W560 AromaticContact CH2-CE2 3.65Å; W295-W560 AromaticContact CH2-CE3 3.66Å; W295-W560 HydrophobicContact CH2-CE3 3.66Å; W295-W560 AromaticContact CH2-CG 3.73Å; W295-W560 HydrophobicContact CH2-CG 3.73Å; W295-W560 HydrophobicContact CH2-CH2 4.31Å; W295-W560 HydrophobicContact CH2-CZ2 4.1Å; W295-W560 HydrophobicContact CH2-CZ3 4.09Å; W295-W560 HydrophobicContact CZ2-CD2 4.35Å; W295-W560 HydrophobicContact CZ2-CZ2 4.3Å; W295-W560 HydrophobicContact CZ3-CB 4.21Å; W295-W560 HydrophobicContact CZ3-CD2 4.13Å; W295-W560 HydrophobicContact CZ3-CE3 4.36Å; W295-W560 HydrophobicContact CZ3-CG 4.04Å; L299-W560 HydrophobicContact CD1-CB 4.46Å; F556-W560 AromaticContact CD2-CD1 3.81Å; F556-W560 AromaticContact CD2-NE1 3.99Å; F556-W560 AromaticContact CE1-CD1 3.86Å; F556-W560 AromaticContact CE2-CD1 3.54Å; F556-W560 AromaticContact CE2-NE1 3.54Å; F556-W560 AromaticContact CZ-CD1 3.56Å; F556-W560 HydrophobicContact CZ-CG 4.35Å; F556-W560 AromaticContact CZ-NE1 3.88Å; F556-W560 PolarHBondContact O-N 3.44Å; F556-W560 VanDerWaalsContact O-N 3.11Å; V557-W560 PolarHBondContact O-N 3.38Å
561	T	97.6	Very high	97.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-134.9	159.2	-174.9	79.8	0	0	0	0	113.7	I220 R222 L299 F522 V557 L563	I220-T561 HydrophobicContact CG2-CG2 4.43Å; I220-T561 CarbonylContact O-C 3.54Å; I220-T561 WeakPolarHBondContact O-CA 3.44Å; I220-T561 WeakPolarHBondContact O-CB 3.5Å; R222-T561 PolarHBondContact NE-O 3.28Å; R222-T561 VanDerWaalsContact NE-O 3.15Å; R222-T561 PolarHBondContact NH2-O 2.83Å; L299-T561 HydrophobicContact CD1-CG2 4.47Å; L299-T561 HydrophobicContact CD2-CG2 3.97Å; F522-T561 HydrophobicContact CE2-CG2 3.95Å; F522-T561 HydrophobicContact CZ-CG2 3.94Å; V557-T561 WeakPolarHBondContact CG1-OG1 3.4Å; V557-T561 WeakPolarHBondContact O-CB 3.39Å; V557-T561 PolarHBondContact O-N 3.06Å; V557-T561 PolarHBondContact O-OG1 3.35Å; T561-L563 VanDerWaalsContact C-N 3.26Å; T561-L563 HydrophobicContact CG2-CD1 4.34Å; T561-L563 WeakPolarHBondContact OG1-CB 3.43Å; T561-L563 WeakPolarHBondContact OG1-CG 3.34Å; T561-L563 PolarHBondContact OG1-N 3.42Å
562	N	97.2	Very high	97.2	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	18%	0.179	S	C	.	.			trans	-90.2	14.2	170.2	-60.2	-37.3	0	0	0	112.2	L219 I220 T221 R222 L317	L219-N562 PolarHBondContact O-ND2 2.75Å; I220-N562 PolarHBondContact O-N 3.05Å; T221-N562 PolarHBondContact O-ND2 3.4Å; T221-N562 VanDerWaalsContact O-ND2 3.15Å; R222-N562 WeakPolarHBondContact CB-OD1 3.42Å; R222-N562 PolarHBondContact NE-OD1 2.74Å; L317-N562 HydrophobicContact CD2-CB 4.35Å
563	L	97.9	Very high	97.2	Very high	11 Å²	11	34.5 Å²	34.5	6%	0.058	17%	0.169	C	C	.	.			trans	-65.9	139.6	179.7	-61.9	178.3	0	0	0	110.9	I220 L317 R319 L526 V557 T561	I220-L563 HydrophobicContact CG1-CD2 4.4Å; I220-L563 HydrophobicContact CG2-CD1 4.35Å; I220-L563 HydrophobicContact CG2-CD2 3.79Å; I220-L563 HydrophobicContact CG2-CG 3.95Å; L317-L563 HydrophobicContact CD2-CD2 4.4Å; L317-L563 CarbonylContact O-C 3.4Å; L317-L563 WeakPolarHBondContact O-CA 3.38Å; R319-L563 HydrophobicContact CG-CB 4.17Å; R319-L563 HydrophobicContact CG-CD1 3.99Å; R319-L563 HydrophobicContact CG-CD2 4.21Å; R319-L563 HydrophobicContact CG-CG 4.34Å; R319-L563 VanDerWaalsContact CZ-CD2 3.49Å; L526-L563 HydrophobicContact CD1-CD1 4.4Å; V557-L563 HydrophobicContact CG1-CB 4.14Å; V557-L563 HydrophobicContact CG1-CD1 4.18Å; T561-L563 VanDerWaalsContact C-N 3.26Å; T561-L563 HydrophobicContact CG2-CD1 4.34Å; T561-L563 WeakPolarHBondContact OG1-CB 3.43Å; T561-L563 WeakPolarHBondContact OG1-CG 3.34Å; T561-L563 PolarHBondContact OG1-N 3.42Å
564	K	97.6	Very high	97.2	Very high	128 Å²	128	34.5 Å²	34.5	56%	0.557	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	105.5	175.6	-65.7	176.6	-179.5	179.9	0	107.9	L317 E318 R319	L317-K564 PolarHBondContact O-N 3.27Å; E318-K564 CarbonylContact C-O 3.52Å; E318-K564 VanDerWaalsContact OE1-CD 3.24Å; E318-K564 WeakPolarHBondContact OE1-CD 3.5Å; R319-K564 PolarHBondContact N-O 3.35Å
565	M	97.9	Very high	97.2	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.059	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.7	179.7	-68.3	178.2	-71.4	0	0	110.2	R319 I321 V356 P357 V554 V557	R319-M565 HydrophobicContact CB-CG 4.09Å; R319-M565 CarbonylContact O-C 3.48Å; R319-M565 VanDerWaalsContact O-CA 3.32Å; R319-M565 WeakPolarHBondContact O-CA 3.5Å; I321-M565 HydrophobicContact CD1-CG 4.06Å; I321-M565 HydrophobicContact CD1-SD 3.7Å; V356-M565 HydrophobicContact CB-CB 4.45Å; V356-M565 HydrophobicContact CG1-CB 4.21Å; V356-M565 HydrophobicContact CG2-CB 3.82Å; V356-M565 HydrophobicContact CG2-CE 4.39Å; V356-M565 HydrophobicContact CG2-SD 4.47Å; P357-M565 WeakPolarHBondContact CD-O 3.32Å; V554-M565 HydrophobicContact CB-CE 4.18Å; V554-M565 HydrophobicContact CG1-CE 3.77Å; V554-M565 HydrophobicContact CG2-CE 4.19Å; V554-M565 HydrophobicContact CG2-SD 4.17Å; V557-M565 HydrophobicContact CB-CE 3.98Å; V557-M565 HydrophobicContact CB-SD 4.11Å; V557-M565 HydrophobicContact CG1-CE 3.77Å; V557-M565 HydrophobicContact CG1-CG 4.42Å; V557-M565 HydrophobicContact CG1-SD 3.77Å
566	Q	97.6	Very high	97.2	Very high	45 Å²	45	39.8 Å²	39.8	21%	0.21	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	164.7	173.6	58.4	-175.9	-28.7	0	0	111	E318 R319 Y320 I321	E318-Q566 PolarHBondContact OE2-NE2 2.8Å; R319-Q566 PolarHBondContact O-N 2.91Å; Y320-Q566 CarbonylContact C-O 3.46Å; Y320-Q566 VanDerWaalsContact CA-O 3.25Å; Y320-Q566 WeakPolarHBondContact CA-O 2.9Å; Y320-Q566 HydrophobicContact CD1-CG 3.54Å; Y320-Q566 HydrophobicContact CE1-CG 3.49Å; Y320-Q566 VanDerWaalsContact CE1-CG 3.49Å; Y320-Q566 HydrophobicContact CG-CG 4.41Å; Y320-Q566 PolarHBondContact OH-NE2 3.39Å; Y320-Q566 VanDerWaalsContact OH-NE2 3.11Å; I321-Q566 PolarHBondContact N-O 2.72Å
567	T	98	Very high	97.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	19%	0.187	C	C	.	.			trans	-117.4	138.1	174.9	-63.2	0	0	0	0	109.9	I321 L322 P357 W392	I321-T567 WeakPolarHBondContact O-CB 3.39Å; I321-T567 WeakPolarHBondContact O-CG2 3.44Å; I321-T567 PolarHBondContact O-OG1 3.36Å; L322-T567 HydrophobicContact CD1-CG2 4.28Å; P357-T567 PolarHBondContact O-N 3.37Å; W392-T567 HydrophobicContact CH2-CG2 3.87Å; W392-T567 HydrophobicContact CZ3-CG2 3.78Å
568	L	97.6	Very high	97.3	Very high	28 Å²	28	39 Å²	39	15%	0.147	19%	0.188	C	C	.	.			trans	-120.8	148.2	172	-69.4	178.3	0	0	0	110	Y320 Q572 L573 K576	Y320-L568 HydrophobicContact CD1-CB 4.5Å; Y320-L568 HydrophobicContact CD1-CD1 3.51Å; Y320-L568 HydrophobicContact CD1-CG 3.65Å; Y320-L568 HydrophobicContact CE1-CD1 3.33Å; Y320-L568 HydrophobicContact CE1-CG 3.72Å; Y320-L568 HydrophobicContact CG-CD1 4.49Å; L568-Q572 HydrophobicContact CB-CB 4.3Å; L568-Q572 HydrophobicContact CD1-CB 4.49Å; L568-L573 HydrophobicContact CB-CB 4.25Å; L568-L573 HydrophobicContact CB-CD1 4.29Å; L568-K576 HydrophobicContact CD1-CB 4.37Å
569	P	96.9	Very high	97.4	Very high	38 Å²	38	38.7 Å²	38.7	25%	0.247	20%	0.196	C	C	.	.			trans	-56.4	147	169	-22.3	31.7	0	0	0	111.4	W392 I571 Q572 L573	W392-P569 VanDerWaalsContact CH2-CA 3.49Å; W392-P569 HydrophobicContact CH2-CB 4.07Å; W392-P569 HydrophobicContact CH2-CG 3.77Å; W392-P569 VanDerWaalsContact CH2-N 3.32Å; W392-P569 HydrophobicContact CZ2-CB 4.2Å; W392-P569 HydrophobicContact CZ2-CG 3.72Å; W392-P569 HydrophobicContact CZ3-CB 4.45Å; P569-I571 VanDerWaalsContact C-N 3.27Å; P569-I571 PolarHBondContact O-N 3.26Å; P569-Q572 PolarHBondContact O-N 2.98Å; P569-L573 PolarHBondContact O-N 3.17Å
570	P	95.9	Very high	97.4	Very high	5 Å²	5	40 Å²	40	3%	0.032	20%	0.201	C	C	.	.	H	α-helix	trans	-51.7	-38	-173.3	-30.2	34.3	0	0	0	115.4	L322 Y434 V462 L573 A574	L322-P570 HydrophobicContact CD2-CG 4.06Å; Y434-P570 HydrophobicContact CD1-CB 4.19Å; Y434-P570 HydrophobicContact CD1-CG 3.82Å; Y434-P570 HydrophobicContact CD2-CB 3.6Å; Y434-P570 HydrophobicContact CD2-CG 4.17Å; Y434-P570 HydrophobicContact CE1-CG 4.37Å; Y434-P570 HydrophobicContact CE2-CB 4.21Å; Y434-P570 HydrophobicContact CG-CB 3.57Å; Y434-P570 HydrophobicContact CG-CG 3.7Å; V462-P570 HydrophobicContact CG1-CB 4.48Å; P570-L573 PolarHBondContact O-N 2.99Å; P570-A574 PolarHBondContact O-N 2.82Å
571	I	97.6	Very high	97.4	Very high	50 Å²	50	40.5 Å²	40.5	26%	0.256	20%	0.204	S	C	.	.	H	α-helix	trans	-63.1	-47.2	177.2	-55.3	-54.9	0	0	0	112	K461 V462 P569 L573 A574 Q575	K461-I571 HydrophobicContact CB-CD1 4Å; V462-I571 HydrophobicContact CB-CD1 4.1Å; V462-I571 HydrophobicContact CG2-CD1 3.5Å; V462-I571 VanDerWaalsContact CG2-CD1 3.5Å; P569-I571 VanDerWaalsContact C-N 3.27Å; P569-I571 PolarHBondContact O-N 3.26Å; I571-L573 VanDerWaalsContact C-N 3.33Å; I571-A574 PolarHBondContact O-N 2.92Å; I571-Q575 WeakPolarHBondContact O-CG 3.4Å; I571-Q575 PolarHBondContact O-N 2.69Å
572	Q	98.2	Very high	97.3	Very high	97 Å²	97	44.4 Å²	44.4	45%	0.453	23%	0.229	S	C	.	.	H	α-helix	trans	-69.6	-36.5	178.8	-63	178.7	19.5	0	0	110.6	L568 P569 A574 Q575 K576	L568-Q572 HydrophobicContact CB-CB 4.3Å; L568-Q572 HydrophobicContact CD1-CB 4.49Å; P569-Q572 PolarHBondContact O-N 2.98Å; Q572-A574 VanDerWaalsContact C-N 3.31Å; Q572-A574 PolarHBondContact O-N 2.68Å; Q572-Q575 PolarHBondContact O-N 2.91Å; Q572-K576 WeakPolarHBondContact O-CB 3.35Å; Q572-K576 PolarHBondContact O-N 3.36Å
573	L	97.8	Very high	97.1	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-40.3	175.4	-166.8	63.4	0	0	0	111.4	Y320 L322 L488 I530 I532 L568 P569 P570 I571 K576 Y577	Y320-L573 HydrophobicContact CD1-CD1 4.36Å; Y320-L573 HydrophobicContact CG-CD1 4.02Å; L322-L573 HydrophobicContact CB-CD2 4.18Å; L322-L573 HydrophobicContact CD2-CD2 4.25Å; L488-L573 HydrophobicContact CD1-CG 4.4Å; I530-L573 HydrophobicContact CD1-CD1 4.24Å; I530-L573 HydrophobicContact CG1-CD1 4.11Å; I530-L573 HydrophobicContact CG2-CD1 3.7Å; I530-L573 HydrophobicContact CG2-CD2 4.02Å; I530-L573 HydrophobicContact CG2-CG 3.86Å; I532-L573 HydrophobicContact CD1-CD2 4.04Å; I532-L573 HydrophobicContact CG1-CD2 3.84Å; L568-L573 HydrophobicContact CB-CB 4.25Å; L568-L573 HydrophobicContact CB-CD1 4.29Å; P569-L573 PolarHBondContact O-N 3.17Å; P570-L573 PolarHBondContact O-N 2.99Å; I571-L573 VanDerWaalsContact C-N 3.33Å; L573-K576 PolarHBondContact O-N 3.27Å; L573-Y577 WeakPolarHBondContact O-CB 3.4Å; L573-Y577 PolarHBondContact O-N 2.8Å
574	A	98.3	Very high	97	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-65.2	-43.7	175.3	0	0	0	0	0	112.8	V462 L488 P570 I571 Q572 K576 Y577 F578	V462-A574 HydrophobicContact CB-CB 4.47Å; V462-A574 HydrophobicContact CG1-CB 3.98Å; V462-A574 HydrophobicContact CG2-CB 3.53Å; L488-A574 HydrophobicContact CD1-CB 3.96Å; L488-A574 HydrophobicContact CD2-CB 4.05Å; L488-A574 HydrophobicContact CG-CB 4.29Å; P570-A574 PolarHBondContact O-N 2.82Å; I571-A574 PolarHBondContact O-N 2.92Å; Q572-A574 VanDerWaalsContact C-N 3.31Å; Q572-A574 PolarHBondContact O-N 2.68Å; A574-K576 VanDerWaalsContact C-N 3.3Å; A574-K576 PolarHBondContact O-N 3.34Å; A574-Y577 PolarHBondContact O-N 2.96Å; A574-F578 VanDerWaalsContact O-CD2 3.26Å; A574-F578 WeakPolarHBondContact O-CD2 3.25Å; A574-F578 PolarHBondContact O-N 3.1Å; A574-F578 VanDerWaalsContact O-N 3.08Å
575	Q	98.1	Very high	96.9	Very high	132 Å²	132	46.6 Å²	46.6	62%	0.617	25%	0.245	S	C	*	.	H	α-helix	trans	-59.3	-44	174.2	-69.3	171.8	-12	0	0	111.1	I571 Q572 S579	I571-Q575 WeakPolarHBondContact O-CG 3.4Å; I571-Q575 PolarHBondContact O-N 2.69Å; Q572-Q575 PolarHBondContact O-N 2.91Å; Q575-S579 WeakPolarHBondContact O-CB 3.29Å; Q575-S579 PolarHBondContact O-N 3.08Å
576	K	97.9	Very high	96.7	Very high	70 Å²	70	50.2 Å²	50.2	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-46.6	175.9	-172.4	69.6	-179.7	-167.6	0	111	Y320 I530 L568 Q572 L573 A574 F578 S579 L580	Y320-K576 HydrophobicContact CD2-CG 4.34Å; Y320-K576 HydrophobicContact CE2-CD 4.24Å; Y320-K576 HydrophobicContact CE2-CG 3.88Å; Y320-K576 WeakPolarHBondContact OH-CE 3.47Å; Y320-K576 PolarHBondContact OH-NZ 3.45Å; I530-K576 HydrophobicContact CD1-CB 4.34Å; I530-K576 HydrophobicContact CD1-CG 4.14Å; L568-K576 HydrophobicContact CD1-CB 4.37Å; Q572-K576 WeakPolarHBondContact O-CB 3.35Å; Q572-K576 PolarHBondContact O-N 3.36Å; L573-K576 PolarHBondContact O-N 3.27Å; A574-K576 VanDerWaalsContact C-N 3.3Å; A574-K576 PolarHBondContact O-N 3.34Å; K576-F578 PolarHBondContact O-N 2.89Å; K576-S579 WeakPolarHBondContact O-CB 3.38Å; K576-S579 PolarHBondContact O-N 3.13Å; K576-S579 VanDerWaalsContact O-N 3.16Å; K576-S579 PolarHBondContact O-OG 3.31Å; K576-L580 HydrophobicContact CG-CD1 4.29Å; K576-L580 WeakPolarHBondContact O-CG 3.47Å; K576-L580 PolarHBondContact O-N 3.38Å
577	Y	98	Very high	96.6	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-55.6	-54.7	179.3	-171.9	-87.7	0	0	0	112.2	R119 G479 L488 P489 I530 L573 A574 S579 L580 F581 E584	R119-Y577 PolarHBondContact NH2-OH 2.89Å; G479-Y577 PolarHBondContact N-OH 3.05Å; L488-Y577 HydrophobicContact CD2-CD1 3.99Å; L488-Y577 HydrophobicContact CD2-CD2 4.38Å; L488-Y577 HydrophobicContact CD2-CG 3.78Å; P489-Y577 HydrophobicContact CG-CD2 4.48Å; P489-Y577 HydrophobicContact CG-CE2 3.52Å; P489-Y577 WeakPolarHBondContact CG-OH 3.32Å; I530-Y577 HydrophobicContact CB-CD2 4.29Å; I530-Y577 VanDerWaalsContact CD1-CA 3.46Å; I530-Y577 HydrophobicContact CD1-CD2 3.84Å; I530-Y577 HydrophobicContact CD1-CG 4.26Å; I530-Y577 HydrophobicContact CG2-CD2 4.39Å; L573-Y577 WeakPolarHBondContact O-CB 3.4Å; L573-Y577 PolarHBondContact O-N 2.8Å; A574-Y577 PolarHBondContact O-N 2.96Å; Y577-S579 PolarHBondContact O-N 2.68Å; Y577-L580 PolarHBondContact O-N 3.5Å; Y577-L580 VanDerWaalsContact O-N 3.07Å; Y577-F581 HydrophobicContact CD1-CD2 4.22Å; Y577-F581 AromaticContact CD2-CD2 3.98Å; Y577-F581 HydrophobicContact CD2-CD2 3.98Å; Y577-F581 HydrophobicContact CD2-CE2 4.18Å; Y577-F581 HydrophobicContact CE1-CB 4.44Å; Y577-F581 HydrophobicContact CE1-CD2 4.02Å; Y577-F581 AromaticContact CE2-CD2 3.79Å; Y577-F581 HydrophobicContact CE2-CD2 3.79Å; Y577-F581 HydrophobicContact CE2-CE2 4.02Å; Y577-F581 HydrophobicContact CG-CD2 4.19Å; Y577-F581 AromaticContact CZ-CD2 3.82Å; Y577-F581 WeakPolarHBondContact O-CD2 3.23Å; Y577-F581 PolarHBondContact O-N 2.83Å; Y577-E584 HydrophobicContact CE1-CB 4.39Å; Y577-E584 WeakPolarHBondContact CE1-OE2 3.33Å; Y577-E584 VanDerWaalsContact CZ-OE2 3.28Å; Y577-E584 PolarHBondContact OH-OE2 2.82Å
578	F	97.9	Very high	96.5	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.022	27%	0.266	C	S	.	.	H	α-helix	trans	-77.3	-4.2	-179.2	-64.2	-63.9	0	0	0	114.4	I481 S486 L488 A574 K576 E584 R585	I481-F578 HydrophobicContact CD1-CD1 4.49Å; I481-F578 HydrophobicContact CD1-CD2 4.03Å; I481-F578 HydrophobicContact CD1-CE2 4.09Å; I481-F578 HydrophobicContact CD1-CG 4.25Å; I481-F578 HydrophobicContact CD1-CZ 4.35Å; I481-F578 HydrophobicContact CG1-CD2 4.19Å; I481-F578 HydrophobicContact CG1-CE1 4.08Å; I481-F578 HydrophobicContact CG1-CE2 3.73Å; I481-F578 HydrophobicContact CG1-CZ 3.66Å; S486-F578 WeakPolarHBondContact OG-CE2 3.4Å; L488-F578 HydrophobicContact CD2-CE2 4.05Å; L488-F578 HydrophobicContact CD2-CZ 4.41Å; A574-F578 VanDerWaalsContact O-CD2 3.26Å; A574-F578 WeakPolarHBondContact O-CD2 3.25Å; A574-F578 PolarHBondContact O-N 3.1Å; A574-F578 VanDerWaalsContact O-N 3.08Å; K576-F578 PolarHBondContact O-N 2.89Å; F578-E584 WeakPolarHBondContact CE1-O 3.36Å; F578-R585 HydrophobicContact CB-CG 4.03Å; F578-R585 HydrophobicContact CD1-CB 4.38Å; F578-R585 HydrophobicContact CD1-CG 3.59Å; F578-R585 HydrophobicContact CE1-CG 4.35Å; F578-R585 HydrophobicContact CG-CG 3.99Å; F578-R585 PolarHBondContact O-NE 3.37Å; F578-R585 PolarHBondContact O-NH2 3.24Å
579	S	97.1	Very high	96.4	Very high	73 Å²	73	49 Å²	49	51%	0.51	26%	0.259	S	S	.	.	H	α-helix	trans	-82.4	-35.8	164.3	78	0	0	0	0	111.7	Q575 K576 Y577	Q575-S579 WeakPolarHBondContact O-CB 3.29Å; Q575-S579 PolarHBondContact O-N 3.08Å; K576-S579 WeakPolarHBondContact O-CB 3.38Å; K576-S579 PolarHBondContact O-N 3.13Å; K576-S579 VanDerWaalsContact O-N 3.16Å; K576-S579 PolarHBondContact O-OG 3.31Å; Y577-S579 PolarHBondContact O-N 2.68Å
580	L	95.1	Very high	96.3	Very high	67 Å²	67	48.4 Å²	48.4	35%	0.351	25%	0.253	S	S	.	.	H	α-helix	trans	-76.4	-35.8	175.6	-66.5	173.9	0	0	0	111.5	P529 I530 K576 Y577 P582	P529-L580 HydrophobicContact CB-CD1 4.09Å; I530-L580 HydrophobicContact CD1-CD1 4.02Å; I530-L580 HydrophobicContact CG1-CD1 4.47Å; K576-L580 HydrophobicContact CG-CD1 4.29Å; K576-L580 WeakPolarHBondContact O-CG 3.47Å; K576-L580 PolarHBondContact O-N 3.38Å; Y577-L580 PolarHBondContact O-N 3.5Å; Y577-L580 VanDerWaalsContact O-N 3.07Å; L580-P582 WeakPolarHBondContact O-CD 3.19Å
581	F	95.3	Very high	96.3	Very high	26 Å²	26	49.1 Å²	49.1	11%	0.114	26%	0.257	C	S	.	.			trans	-127.3	69.7	-174.7	-46.5	-60.1	0	0	0	111.6	R119 P529 Y577 S583 E584	R119-F581 VanDerWaalsContact CD-CD1 3.41Å; R119-F581 VanDerWaalsContact CZ-CD1 3.41Å; R119-F581 VanDerWaalsContact CZ-CE2 3.42Å; R119-F581 VanDerWaalsContact NE-CE1 3.3Å; P529-F581 HydrophobicContact CG-CZ 4.12Å; Y577-F581 HydrophobicContact CD1-CD2 4.22Å; Y577-F581 AromaticContact CD2-CD2 3.98Å; Y577-F581 HydrophobicContact CD2-CD2 3.98Å; Y577-F581 HydrophobicContact CD2-CE2 4.18Å; Y577-F581 HydrophobicContact CE1-CB 4.44Å; Y577-F581 HydrophobicContact CE1-CD2 4.02Å; Y577-F581 AromaticContact CE2-CD2 3.79Å; Y577-F581 HydrophobicContact CE2-CD2 3.79Å; Y577-F581 HydrophobicContact CE2-CE2 4.02Å; Y577-F581 HydrophobicContact CG-CD2 4.19Å; Y577-F581 AromaticContact CZ-CD2 3.82Å; Y577-F581 WeakPolarHBondContact O-CD2 3.23Å; Y577-F581 PolarHBondContact O-N 2.83Å; F581-S583 VanDerWaalsContact C-N 3.27Å; F581-S583 PolarHBondContact O-N 3.42Å; F581-E584 HydrophobicContact CB-CB 4.02Å; F581-E584 VanDerWaalsContact CB-CD 3.43Å; F581-E584 HydrophobicContact CB-CG 3.89Å; F581-E584 WeakPolarHBondContact CB-OE2 3.48Å; F581-E584 PolarHBondContact O-N 2.83Å; F581-E584 VanDerWaalsContact O-N 3.1Å
582	P	95.9	Very high	96	Very high	82 Å²	82	46.8 Å²	46.8	53%	0.532	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-63.3	-31	-175.9	24.7	-34.3	0	0	0	113.4	L580 E584 R585	L580-P582 WeakPolarHBondContact O-CD 3.19Å; P582-E584 PolarHBondContact O-N 2.92Å; P582-R585 VanDerWaalsContact O-CG 3.32Å; P582-R585 WeakPolarHBondContact O-CG 3.41Å; P582-R585 PolarHBondContact O-N 3.01Å
583	S	92.3	Very high	95.6	Very high	98 Å²	98	43.5 Å²	43.5	69%	0.685	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-70.2	-17.4	176.6	56	0	0	0	0	113.7	F581 R585	F581-S583 VanDerWaalsContact C-N 3.27Å; F581-S583 PolarHBondContact O-N 3.42Å; S583-R585 VanDerWaalsContact C-N 3.27Å
584	E	95.1	Very high	95.3	Very high	22 Å²	22	48.6 Å²	48.6	10%	0.103	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-88.5	5.1	-179.5	-63.4	174.6	-168.2	0	0	111.8	R119 R478 G479 F480 Y577 F578 F581 P582 D586	R119-E584 IonicContact CZ-OE1 3.85Å; R119-E584 IonicContact CZ-OE2 3.63Å; R119-E584 IonicContact NE-OE1 3.98Å; R119-E584 PolarHBondContact NE-OE1 2.91Å; R119-E584 IonicContact NE-OE2 3.76Å; R119-E584 IonicContact NH2-OE1 3.67Å; R119-E584 PolarHBondContact NH2-OE1 2.74Å; R119-E584 IonicContact NH2-OE2 2.69Å; R119-E584 PolarHBondContact NH2-OE2 3.37Å; R478-E584 VanDerWaalsContact CD-CD 3.47Å; R478-E584 VanDerWaalsContact CD-OE1 3.31Å; R478-E584 WeakPolarHBondContact CD-OE1 3.5Å; R478-E584 IonicContact NE-OE1 3.83Å; G479-E584 CarbonylContact C-O 3.49Å; F480-E584 VanDerWaalsContact CA-O 3.28Å; F480-E584 WeakPolarHBondContact CA-O 3.46Å; Y577-E584 HydrophobicContact CE1-CB 4.39Å; Y577-E584 WeakPolarHBondContact CE1-OE2 3.33Å; Y577-E584 VanDerWaalsContact CZ-OE2 3.28Å; Y577-E584 PolarHBondContact OH-OE2 2.82Å; F578-E584 WeakPolarHBondContact CE1-O 3.36Å; F581-E584 HydrophobicContact CB-CB 4.02Å; F581-E584 VanDerWaalsContact CB-CD 3.43Å; F581-E584 HydrophobicContact CB-CG 3.89Å; F581-E584 WeakPolarHBondContact CB-OE2 3.48Å; F581-E584 PolarHBondContact O-N 2.83Å; F581-E584 VanDerWaalsContact O-N 3.1Å; P582-E584 PolarHBondContact O-N 2.92Å; E584-D586 VanDerWaalsContact C-N 3.33Å
585	R	95.8	Very high	94.9	Very high	122 Å²	122	50.1 Å²	50.1	46%	0.46	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-66.9	-38.7	172.1	-69	176.9	-177.7	-140.3	-0.9	111.6	I481 F578 P582 S583	I481-R585 HydrophobicContact CD1-CB 4.17Å; I481-R585 HydrophobicContact CD1-CG 3.96Å; I481-R585 PolarHBondContact N-O 3.44Å; F578-R585 HydrophobicContact CB-CG 4.03Å; F578-R585 HydrophobicContact CD1-CB 4.38Å; F578-R585 HydrophobicContact CD1-CG 3.59Å; F578-R585 HydrophobicContact CE1-CG 4.35Å; F578-R585 HydrophobicContact CG-CG 3.99Å; F578-R585 PolarHBondContact O-NE 3.37Å; F578-R585 PolarHBondContact O-NH2 3.24Å; P582-R585 VanDerWaalsContact O-CG 3.32Å; P582-R585 WeakPolarHBondContact O-CG 3.41Å; P582-R585 PolarHBondContact O-N 3.01Å; S583-R585 VanDerWaalsContact C-N 3.27Å
586	D	94.4	Very high	94.6	Very high	87 Å²	87	51.7 Å²	51.7	47%	0.465	27%	0.269	S	S	.	.	S	Bend	trans	-82.1	128.4	-178.9	-66.1	-30.6	0	0	0	109.5	E584 H659	E584-D586 VanDerWaalsContact C-N 3.33Å; D586-H659 IonicContact OD1-CE1 2.69Å; D586-H659 PolarHBondContact OD1-CE1 3.05Å; D586-H659 IonicContact OD1-ND1 3.49Å
587	P	95.4	Very high	94.3	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.026	27%	0.267	C	S	.	.			trans	-66.4	162	176.2	27.2	-32.3	0	0	0	110.9	F480 W589 Y658	F480-P587 HydrophobicContact CB-CB 4.01Å; F480-P587 HydrophobicContact CD2-CB 4Å; F480-P587 HydrophobicContact CG-CB 4.23Å; P587-W589 HydrophobicContact CB-CD2 3.91Å; P587-W589 HydrophobicContact CB-CE3 3.75Å; P587-W589 HydrophobicContact CB-CH2 3.33Å; P587-W589 HydrophobicContact CB-CZ2 3.48Å; P587-W589 VanDerWaalsContact CB-CZ2 3.48Å; P587-W589 HydrophobicContact CB-CZ3 3.46Å; P587-W589 VanDerWaalsContact CB-CZ3 3.46Å; P587-W589 HydrophobicContact CG-CD2 4.29Å; P587-W589 HydrophobicContact CG-CH2 3.52Å; P587-W589 HydrophobicContact CG-CZ2 3.2Å; P587-W589 HydrophobicContact CG-CZ3 4.17Å; P587-Y658 HydrophobicContact CG-CE1 4.47Å; P587-Y658 VanDerWaalsContact O-CE1 3.27Å; P587-Y658 WeakPolarHBondContact O-CE1 3.42Å
588	L	95.6	Very high	94.1	Very high	43 Å²	43	51.7 Å²	51.7	23%	0.225	27%	0.267	C	S	.	.			trans	-132.5	90.8	167.7	-175.5	68.6	0	0	0	107	Y468 Q590 Q695 R696 A699	Y468-L588 PolarHBondContact OH-N 2.55Å; L588-Q590 PolarHBondContact O-N 3.14Å; L588-Q590 PolarHBondContact O-NE2 3.36Å; L588-Q695 HydrophobicContact CD1-CG 4.19Å; L588-R696 HydrophobicContact CD1-CG 4.09Å; L588-A699 HydrophobicContact CD1-CB 3.74Å; L588-A699 HydrophobicContact CD2-CB 4.2Å; L588-A699 HydrophobicContact CG-CB 3.72Å
589	W	96.3	Very high	93.9	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.008	29%	0.291	C	S	.	.			trans	-61.1	113.5	-178.7	-53.5	136.6	0	0	0	110.6	Y444 V446 F480 H482 P587 F652 Y658 I662 A699 L700	Y444-W589 HydrophobicContact CE2-CE3 4.01Å; Y444-W589 HydrophobicContact CE2-CZ3 4.26Å; V446-W589 HydrophobicContact CG2-CH2 4.03Å; V446-W589 HydrophobicContact CG2-CZ3 3.85Å; F480-W589 HydrophobicContact CD2-CH2 4.09Å; F480-W589 HydrophobicContact CD2-CZ3 4.14Å; F480-W589 AromaticContact CE2-CH2 3.93Å; F480-W589 HydrophobicContact CE2-CH2 3.93Å; F480-W589 AromaticContact CE2-CZ3 3.84Å; F480-W589 HydrophobicContact CE2-CZ3 3.84Å; F480-W589 HydrophobicContact CZ-CZ3 4.38Å; H482-W589 HydrophobicContact CB-CH2 4.13Å; H482-W589 AromaticContact CG-CH2 3.94Å; H482-W589 AromaticContact ND1-CH2 3.79Å; H482-W589 AromaticContact ND1-CZ2 3.77Å; P587-W589 HydrophobicContact CB-CD2 3.91Å; P587-W589 HydrophobicContact CB-CE3 3.75Å; P587-W589 HydrophobicContact CB-CH2 3.33Å; P587-W589 HydrophobicContact CB-CZ2 3.48Å; P587-W589 VanDerWaalsContact CB-CZ2 3.48Å; P587-W589 HydrophobicContact CB-CZ3 3.46Å; P587-W589 VanDerWaalsContact CB-CZ3 3.46Å; P587-W589 HydrophobicContact CG-CD2 4.29Å; P587-W589 HydrophobicContact CG-CH2 3.52Å; P587-W589 HydrophobicContact CG-CZ2 3.2Å; P587-W589 HydrophobicContact CG-CZ3 4.17Å; W589-F652 AromaticContact CD1-CZ 3.86Å; W589-Y658 AromaticContact CD1-CE1 3.59Å; W589-Y658 AromaticContact CD1-CE2 3.45Å; W589-Y658 VanDerWaalsContact CD1-CE2 3.45Å; W589-Y658 AromaticContact CD1-CZ 3.22Å; W589-Y658 HydrophobicContact CG-CE1 4.26Å; W589-Y658 HydrophobicContact CG-CE2 4.34Å; W589-Y658 AromaticContact CG-CZ 3.83Å; W589-Y658 PolarHBondContact N-OH 2.98Å; W589-Y658 AromaticContact NE1-CD1 3.95Å; W589-Y658 AromaticContact NE1-CE1 3.7Å; W589-Y658 AromaticContact NE1-CZ 3.83Å; W589-Y658 PolarHBondContact NE1-O 3.25Å; W589-I662 HydrophobicContact CB-CD1 3.89Å; W589-I662 HydrophobicContact CB-CG1 3.76Å; W589-I662 HydrophobicContact CD2-CG1 4.28Å; W589-I662 HydrophobicContact CG-CD1 4.33Å; W589-I662 HydrophobicContact CG-CG1 3.82Å; W589-A699 CarbonylContact O-C 3.54Å; W589-A699 VanDerWaalsContact O-C 3.3Å; W589-A699 WeakPolarHBondContact O-CB 3.37Å; W589-L700 HydrophobicContact CB-CD1 4.44Å; W589-L700 WeakPolarHBondContact O-CA 3.43Å; W589-L700 WeakPolarHBondContact O-CB 3.26Å; W589-L700 PolarHBondContact O-N 3.19Å
590	Q	95.1	Very high	93.6	Very high	25 Å²	25	58.2 Å²	58.2	12%	0.117	29%	0.291	C	S	.	.			trans	-81.4	159.6	171.4	-53.3	-56.4	-50.6	0	0	110.3	Y444 P469 H470 L588 P592 A699	Y444-Q590 VanDerWaalsContact OH-CB 3.23Å; Y444-Q590 WeakPolarHBondContact OH-CB 3.44Å; Y444-Q590 WeakPolarHBondContact OH-CG 3.48Å; Y444-Q590 PolarHBondContact OH-N 3.09Å; P469-Q590 HydrophobicContact CB-CG 3.62Å; P469-Q590 WeakPolarHBondContact O-CG 3.41Å; H470-Q590 PolarHBondContact NE2-OE1 3.07Å; L588-Q590 PolarHBondContact O-N 3.14Å; L588-Q590 PolarHBondContact O-NE2 3.36Å; Q590-P592 WeakPolarHBondContact O-CD 3.39Å; Q590-A699 CarbonylContact C-O 3.59Å; Q590-A699 VanDerWaalsContact CA-O 3.31Å; Q590-A699 WeakPolarHBondContact CA-O 3.33Å
591	D	94.2	Very high	93.6	Very high	20 Å²	20	55.2 Å²	55.2	11%	0.107	28%	0.275	C	S	.	.			trans	-64.8	108.6	168.1	-169.3	-14.9	0	0	0	110.6	C593 E594 A699 L700 P702	D591-C593 PolarHBondContact O-N 3.28Å; D591-C593 WeakPolarHBondContact OD1-CB 3.49Å; D591-C593 PolarHBondContact OD1-N 2.69Å; D591-E594 HydrophobicContact CB-CG 3.99Å; D591-E594 PolarHBondContact O-N 3.1Å; D591-A699 PolarHBondContact N-O 3.23Å; D591-L700 WeakPolarHBondContact CB-O 3.24Å; D591-P702 HydrophobicContact CB-CG 4.35Å
592	P	92.1	Very high	93.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.2	178.4	-19.9	34.9	0	0	0	113.2	P445 Q590 H598 K599 W602 I662	P445-P592 HydrophobicContact CB-CB 4.35Å; P445-P592 HydrophobicContact CB-CG 4.32Å; P445-P592 HydrophobicContact CG-CB 3.86Å; P445-P592 HydrophobicContact CG-CG 4.3Å; Q590-P592 WeakPolarHBondContact O-CD 3.39Å; P592-H598 HydrophobicContact CB-CB 4.47Å; P592-K599 PolarHBondContact O-N 3.45Å; P592-W602 HydrophobicContact CB-CD2 4.35Å; P592-W602 HydrophobicContact CG-CZ2 4.29Å; P592-I662 HydrophobicContact CG-CD1 4.03Å
593	C	90.8	Very high	93	Very high	28 Å²	28	51 Å²	51	19%	0.189	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-20.4	-174.6	-58.3	0	0	0	0	113.8	D591 D595 C608	D591-C593 PolarHBondContact O-N 3.28Å; D591-C593 WeakPolarHBondContact OD1-CB 3.49Å; D591-C593 PolarHBondContact OD1-N 2.69Å; C593-D595 VanDerWaalsContact C-N 3.34Å; C593-C608 HydrophobicContact CB-CB 3.82Å; C593-C608 WeakPolarHBondContact CB-SG 3.2Å; C593-C608 WeakPolarHBondContact SG-CA 3.42Å; C593-C608 WeakPolarHBondContact SG-CB 3.32Å; C593-C608 CovalentContact SG-SG 2.01Å; C593-C608 PolarHBondContact SG-SG 2.84Å
594	E	90.9	Very high	92.7	Very high	109 Å²	109	55 Å²	55	51%	0.509	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-18.6	176.7	-64.5	-61.3	108	0	0	112.3	D591 P702 K703	D591-E594 HydrophobicContact CB-CG 3.99Å; D591-E594 PolarHBondContact O-N 3.1Å; E594-P702 HydrophobicContact CG-CG 4.4Å; E594-K703 IonicContact OE1-NZ 3.33Å; E594-K703 PolarHBondContact OE1-NZ 2.88Å; E594-K703 WeakPolarHBondContact OE2-CE 3.45Å; E594-K703 IonicContact OE2-NZ 3.15Å; E594-K703 PolarHBondContact OE2-NZ 2.91Å
595	D	90.1	Very high	92.2	Very high	34 Å²	34	59.5 Å²	59.5	18%	0.182	28%	0.275	C	S	.	.			trans	-108.1	115.8	176.9	-168.8	-41.8	0	0	0	110.6	C593 R597 H598 K599	C593-D595 VanDerWaalsContact C-N 3.34Å; D595-R597 PolarHBondContact O-N 2.78Å; D595-R597 WeakPolarHBondContact OD1-CA 3.43Å; D595-R597 VanDerWaalsContact OD1-CB 3.24Å; D595-R597 WeakPolarHBondContact OD1-CB 3.44Å; D595-R597 PolarHBondContact OD1-N 3.45Å; D595-H598 HydrophobicContact CB-CB 3.96Å; D595-H598 PolarHBondContact O-N 3.2Å; D595-H598 PolarHBondContact OD1-N 3.44Å; D595-H598 IonicContact OD2-CE1 2.71Å; D595-K599 PolarHBondContact O-N 2.89Å
596	K	91.8	Very high	91.8	Very high	165 Å²	165	55.5 Å²	55.5	72%	0.717	26%	0.26	S	S	*	.	H	α-helix	trans	-55.5	-41.6	178.7	-177.7	-177.4	176	-174.9	0	111.6	K599 D600	K596-K599 PolarHBondContact O-N 2.65Å; K596-D600 PolarHBondContact O-N 3.06Å
597	R	92	Very high	91.5	Very high	72 Å²	72	53.4 Å²	53.4	27%	0.272	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-44.8	-179	173.3	60	178.4	165.7	2.3	110.5	H439 E467 L471 D595 K599 D600 I601	H439-R597 PolarHBondContact O-NH2 3.44Å; H439-R597 VanDerWaalsContact O-NH2 3.08Å; E467-R597 IonicContact OE1-CZ 3.82Å; E467-R597 IonicContact OE1-NE 3.36Å; E467-R597 PolarHBondContact OE1-NE 2.78Å; E467-R597 IonicContact OE1-NH2 3.84Å; E467-R597 PolarHBondContact OE1-NH2 3.31Å; E467-R597 WeakPolarHBondContact OE2-CG 3.25Å; L471-R597 HydrophobicContact CD2-CG 4.33Å; D595-R597 PolarHBondContact O-N 2.78Å; D595-R597 WeakPolarHBondContact OD1-CA 3.43Å; D595-R597 VanDerWaalsContact OD1-CB 3.24Å; D595-R597 WeakPolarHBondContact OD1-CB 3.44Å; D595-R597 PolarHBondContact OD1-N 3.45Å; R597-K599 VanDerWaalsContact C-N 3.33Å; R597-K599 PolarHBondContact O-N 3.24Å; R597-D600 PolarHBondContact O-N 2.9Å; R597-I601 WeakPolarHBondContact O-CG1 3.36Å; R597-I601 PolarHBondContact O-N 3.34Å
598	H	93.9	Very high	91.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-42.9	177.4	-69.5	172.8	0	0	0	111.8	Y444 P445 E467 P469 P592 D595 D600 I601 W602	Y444-H598 AromaticContact CD1-CE1 3.82Å; Y444-H598 AromaticContact CD1-NE2 3.9Å; Y444-H598 AromaticContact CE1-CE1 3.47Å; Y444-H598 VanDerWaalsContact CE1-CE1 3.47Å; Y444-H598 WeakPolarHBondContact CE1-CE1 3.28Å; Y444-H598 AromaticContact CE1-ND1 3.83Å; P445-H598 HydrophobicContact CG-CB 3.66Å; E467-H598 PolarHBondContact O-CE1 3.07Å; E467-H598 VanDerWaalsContact O-CE1 3.25Å; E467-H598 PolarHBondContact O-NE2 3.3Å; E467-H598 IonicContact OE2-CD2 2.59Å; E467-H598 IonicContact OE2-NE2 3.5Å; P469-H598 PolarHBondContact O-CE1 2.98Å; P469-H598 VanDerWaalsContact O-CE1 3.31Å; P592-H598 HydrophobicContact CB-CB 4.47Å; D595-H598 HydrophobicContact CB-CB 3.96Å; D595-H598 PolarHBondContact O-N 3.2Å; D595-H598 PolarHBondContact OD1-N 3.44Å; D595-H598 IonicContact OD2-CE1 2.71Å; H598-D600 VanDerWaalsContact C-N 3.34Å; H598-D600 PolarHBondContact O-N 2.84Å; H598-I601 CarbonylContact O-C 3.25Å; H598-I601 PolarHBondContact O-N 3.03Å; H598-W602 WeakPolarHBondContact O-CB 3.18Å; H598-W602 PolarHBondContact O-N 2.82Å; H598-W602 VanDerWaalsContact O-N 3.09Å
599	K	92.1	Very high	90.8	Very high	120 Å²	120	57.1 Å²	57.1	52%	0.522	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-41.9	174.9	-170.1	175.4	-177.6	174.5	0	112.5	P592 D595 K596 R597 I601 W602	P592-K599 PolarHBondContact O-N 3.45Å; D595-K599 PolarHBondContact O-N 2.89Å; K596-K599 PolarHBondContact O-N 2.65Å; R597-K599 VanDerWaalsContact C-N 3.33Å; R597-K599 PolarHBondContact O-N 3.24Å; K599-I601 VanDerWaalsContact C-N 3.28Å; K599-I601 PolarHBondContact O-N 2.92Å; K599-W602 PolarHBondContact O-N 2.77Å
600	D	92.4	Very high	90.5	Very high	96 Å²	96	59.3 Å²	59.3	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-66.5	-27.8	-179.6	-70.4	-19	0	0	0	113	H404 K596 R597 H598	H404-D600 PolarHBondContact NE2-O 3.44Å; K596-D600 PolarHBondContact O-N 3.06Å; R597-D600 PolarHBondContact O-N 2.9Å; H598-D600 VanDerWaalsContact C-N 3.34Å; H598-D600 PolarHBondContact O-N 2.84Å
601	I	93.2	Very high	90.4	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	12.7	179.1	70	-177.1	0	0	0	113.6	H404 S441 Y444 E467 R597 H598 K599	H404-I601 VanDerWaalsContact CB-O 3.27Å; H404-I601 WeakPolarHBondContact CB-O 3.48Å; H404-I601 VanDerWaalsContact CG-O 3.32Å; S441-I601 PolarHBondContact OG-O 2.79Å; Y444-I601 WeakPolarHBondContact O-CD1 3.37Å; E467-I601 HydrophobicContact CG-CD1 4Å; R597-I601 WeakPolarHBondContact O-CG1 3.36Å; R597-I601 PolarHBondContact O-N 3.34Å; H598-I601 CarbonylContact O-C 3.25Å; H598-I601 PolarHBondContact O-N 3.03Å; K599-I601 VanDerWaalsContact C-N 3.28Å; K599-I601 PolarHBondContact O-N 2.92Å
602	W	91.6	Very high	90.5	Very high	14 Å²	14	57.9 Å²	57.9	5%	0.053	27%	0.274	C	S	.	.	S	Bend	trans	-92	153.1	174	-155.6	38.3	0	0	0	110.6	H404 P592 H598 K599 K604 K606 F611 M666	H404-W602 PolarHBondContact CD2-O 3.28Å; P592-W602 HydrophobicContact CB-CD2 4.35Å; P592-W602 HydrophobicContact CG-CZ2 4.29Å; H598-W602 WeakPolarHBondContact O-CB 3.18Å; H598-W602 PolarHBondContact O-N 2.82Å; H598-W602 VanDerWaalsContact O-N 3.09Å; K599-W602 PolarHBondContact O-N 2.77Å; W602-K604 PolarHBondContact O-N 3.4Å; W602-K606 HydrophobicContact CD2-CB 3.72Å; W602-K606 HydrophobicContact CD2-CD 4.01Å; W602-K606 HydrophobicContact CE3-CB 3.8Å; W602-K606 HydrophobicContact CG-CD 4.28Å; W602-K606 HydrophobicContact CH2-CB 3.68Å; W602-K606 HydrophobicContact CZ2-CB 3.58Å; W602-K606 HydrophobicContact CZ2-CD 3.67Å; W602-K606 HydrophobicContact CZ2-CG 4.2Å; W602-K606 HydrophobicContact CZ3-CB 3.78Å; W602-F611 HydrophobicContact CH2-CE2 4.21Å; W602-F611 HydrophobicContact CH2-CZ 4.43Å; W602-M666 HydrophobicContact CH2-CE 3.66Å; W602-M666 HydrophobicContact CH2-SD 3.82Å; W602-M666 HydrophobicContact CZ2-CE 3.98Å; W602-M666 HydrophobicContact CZ2-SD 3.59Å; W602-M666 VanDerWaalsContact CZ2-SD 3.59Å
603	S	88.7	Confident	90.7	Very high	5 Å²	5	61.5 Å²	61.5	4%	0.035	29%	0.29	C	S	.	.			trans	-62.4	135.6	178.6	169.7	0	0	0	0	110.6	E605 K606	S603-E605 PolarHBondContact O-N 2.83Å; S603-E605 VanDerWaalsContact O-N 3.15Å; S603-E605 PolarHBondContact OG-N 2.75Å; S603-K606 WeakPolarHBondContact O-CB 3.49Å; S603-K606 PolarHBondContact O-N 3.45Å
604	K	86.2	Confident	91.1	Very high	181 Å²	181	60.1 Å²	60.1	79%	0.787	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18	178.3	-67.1	-176.2	178.8	178.1	0	113.9	W602 K606	W602-K604 PolarHBondContact O-N 3.4Å; K604-K606 PolarHBondContact O-N 2.69Å
605	E	83.1	Confident	91.5	Very high	118 Å²	118	55 Å²	55	55%	0.551	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.7	174.8	-64.7	177	177.3	0	0	112.7	H407 S603	H407-E605 IonicContact CE1-OE1 3.42Å; H407-E605 IonicContact CG-OE1 3.35Å; H407-E605 VanDerWaalsContact ND1-CD 3.3Å; H407-E605 IonicContact ND1-OE1 3.62Å; H407-E605 PolarHBondContact ND1-OE1 2.98Å; S603-E605 PolarHBondContact O-N 2.83Å; S603-E605 VanDerWaalsContact O-N 3.15Å; S603-E605 PolarHBondContact OG-N 2.75Å
606	K	87.7	Confident	91.9	Very high	37 Å²	37	53.3 Å²	53.3	16%	0.161	25%	0.248	C	C	.	.			trans	-97.9	141	179.8	-58.8	178.3	-175.9	-179.3	0	109.4	V446 W602 S603 K604 D663 M666	V446-K606 PolarHBondContact O-NZ 3.18Å; W602-K606 HydrophobicContact CD2-CB 3.72Å; W602-K606 HydrophobicContact CD2-CD 4.01Å; W602-K606 HydrophobicContact CE3-CB 3.8Å; W602-K606 HydrophobicContact CG-CD 4.28Å; W602-K606 HydrophobicContact CH2-CB 3.68Å; W602-K606 HydrophobicContact CZ2-CB 3.58Å; W602-K606 HydrophobicContact CZ2-CD 3.67Å; W602-K606 HydrophobicContact CZ2-CG 4.2Å; W602-K606 HydrophobicContact CZ3-CB 3.78Å; S603-K606 WeakPolarHBondContact O-CB 3.49Å; S603-K606 PolarHBondContact O-N 3.45Å; K604-K606 PolarHBondContact O-N 2.69Å; K606-D663 VanDerWaalsContact CE-OD1 3.24Å; K606-D663 WeakPolarHBondContact CE-OD1 3.26Å; K606-D663 WeakPolarHBondContact CE-OD2 3.36Å; K606-D663 IonicContact NZ-OD1 2.75Å; K606-D663 PolarHBondContact NZ-OD1 3.2Å; K606-D663 IonicContact NZ-OD2 3.05Å; K606-D663 PolarHBondContact NZ-OD2 3.49Å; K606-M666 HydrophobicContact CB-CE 4.17Å
607	T	87.4	Confident	92.2	Very high	43 Å²	43	45.5 Å²	45.5	26%	0.264	21%	0.214	S	C	.	.			trans	-138	144.9	179.9	176.5	0	0	0	0	110.8	D609 R610 M666 P672	T607-D609 PolarHBondContact O-N 3.28Å; T607-D609 PolarHBondContact OG1-N 2.8Å; T607-D609 PolarHBondContact OG1-OD2 3.46Å; T607-R610 HydrophobicContact CG2-CB 4.13Å; T607-R610 WeakPolarHBondContact O-CB 3.42Å; T607-R610 PolarHBondContact O-N 3.08Å; T607-M666 WeakPolarHBondContact O-CE 3.38Å; T607-P672 HydrophobicContact CG2-CG 3.66Å
608	C	87.9	Confident	92.5	Very high	36 Å²	36	42 Å²	42	24%	0.243	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-60.2	-30.4	175.1	-55.1	0	0	0	0	112.3	C593 R610 F611	C593-C608 HydrophobicContact CB-CB 3.82Å; C593-C608 WeakPolarHBondContact CB-SG 3.2Å; C593-C608 WeakPolarHBondContact SG-CA 3.42Å; C593-C608 WeakPolarHBondContact SG-CB 3.32Å; C593-C608 CovalentContact SG-SG 2.01Å; C593-C608 PolarHBondContact SG-SG 2.84Å; C608-R610 PolarHBondContact O-N 2.91Å; C608-R610 VanDerWaalsContact O-N 3.13Å; C608-F611 PolarHBondContact O-N 3.11Å
609	D	88.5	Confident	92.7	Very high	90 Å²	90	42 Å²	42	48%	0.481	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-68.8	-12	-177.7	-62.3	-45.5	0	0	0	112.9	T607 F611 P672 Y680	T607-D609 PolarHBondContact O-N 3.28Å; T607-D609 PolarHBondContact OG1-N 2.8Å; T607-D609 PolarHBondContact OG1-OD2 3.46Å; D609-F611 VanDerWaalsContact C-N 3.35Å; D609-P672 HydrophobicContact CB-CB 4.06Å; D609-P672 HydrophobicContact CB-CG 3.68Å; D609-Y680 WeakPolarHBondContact O-CD2 3.41Å; D609-Y680 WeakPolarHBondContact O-CE2 3.44Å
610	R	90.9	Very high	92.9	Very high	47 Å²	47	37.7 Å²	37.7	18%	0.177	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-82	-11.1	177.4	-165.8	165.4	-175.4	-161.5	-2.5	113.4	T607 C608 M666 F669 P672	T607-R610 HydrophobicContact CG2-CB 4.13Å; T607-R610 WeakPolarHBondContact O-CB 3.42Å; T607-R610 PolarHBondContact O-N 3.08Å; C608-R610 PolarHBondContact O-N 2.91Å; C608-R610 VanDerWaalsContact O-N 3.13Å; R610-M666 HydrophobicContact CB-CE 3.92Å; R610-M666 HydrophobicContact CG-CE 4.3Å; R610-M666 PolarHBondContact NE-O 3Å; R610-M666 PolarHBondContact NH2-O 2.74Å; R610-M666 VanDerWaalsContact NH2-O 3.15Å; R610-F669 HydrophobicContact CG-CB 3.88Å; R610-F669 VanDerWaalsContact CZ-O 3.28Å; R610-F669 PolarHBondContact NE-O 2.83Å; R610-F669 PolarHBondContact NH2-O 3.33Å; R610-F669 VanDerWaalsContact O-CB 3.27Å; R610-F669 WeakPolarHBondContact O-CB 3.28Å; R610-F669 WeakPolarHBondContact O-CG 3.39Å; R610-P672 HydrophobicContact CB-CG 4.23Å
611	F	93.7	Very high	93.1	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.048	17%	0.168	C	C	.	.	S	Bend	trans	-77.1	145.7	176.5	-75	-54.7	0	0	0	112.6	W602 C608 D609 I662 Y665 M666 L700 L701	W602-F611 HydrophobicContact CH2-CE2 4.21Å; W602-F611 HydrophobicContact CH2-CZ 4.43Å; C608-F611 PolarHBondContact O-N 3.11Å; D609-F611 VanDerWaalsContact C-N 3.35Å; F611-I662 HydrophobicContact CE1-CG2 3.68Å; F611-I662 HydrophobicContact CZ-CG2 3.49Å; F611-I662 VanDerWaalsContact CZ-CG2 3.49Å; F611-Y665 HydrophobicContact CD1-CD1 4.36Å; F611-Y665 HydrophobicContact CD1-CE1 4.49Å; F611-Y665 HydrophobicContact CE1-CD1 4.4Å; F611-M666 HydrophobicContact CD1-CG 4.24Å; F611-M666 HydrophobicContact CE1-CG 3.68Å; F611-M666 HydrophobicContact CE1-SD 4.14Å; F611-M666 HydrophobicContact CZ-CG 4.19Å; F611-M666 HydrophobicContact CZ-SD 4.02Å; F611-L700 HydrophobicContact CE1-CD1 4.08Å; F611-L700 HydrophobicContact CE1-CD2 4.23Å; F611-L700 HydrophobicContact CE1-CG 4.28Å; F611-L700 HydrophobicContact CZ-CD1 3.87Å; F611-L701 HydrophobicContact CB-CD2 3.68Å; F611-L701 HydrophobicContact CD1-CD2 3.91Å; F611-L701 HydrophobicContact CG-CD2 3.83Å
612	P	96	Very high	93.3	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.026	17%	0.169	C	C	.	.			trans	-67.7	135.1	173.3	27.9	-31.1	0	0	0	111.3	L615 Y665 F669 Y680 L701	P612-L615 HydrophobicContact CB-CD2 4.5Å; P612-L615 HydrophobicContact CG-CD2 4.2Å; P612-Y665 HydrophobicContact CG-CE1 3.85Å; P612-Y665 WeakPolarHBondContact CG-OH 3.31Å; P612-F669 HydrophobicContact CB-CE1 3.76Å; P612-F669 HydrophobicContact CB-CZ 3.72Å; P612-F669 HydrophobicContact CG-CE1 4.04Å; P612-F669 HydrophobicContact CG-CE2 3.91Å; P612-F669 HydrophobicContact CG-CZ 3.46Å; P612-F669 VanDerWaalsContact CG-CZ 3.46Å; P612-Y680 CarbonylContact C-O 3.45Å; P612-Y680 WeakPolarHBondContact CA-O 3.06Å; P612-L701 HydrophobicContact CG-CD1 3.89Å
613	K	96.5	Very high	93.5	Very high	77 Å²	77	36.4 Å²	36.4	34%	0.335	18%	0.182	S	C	.	.	S	Bend	trans	-91.9	-13	175.9	-64.7	171.4	-174.9	161.4	0	111.7	D678 Y679 Y680 A704 K705	K613-D678 PolarHBondContact NZ-O 3.18Å; K613-Y679 HydrophobicContact CB-CD1 3.99Å; K613-Y679 HydrophobicContact CB-CD2 4.27Å; K613-Y679 HydrophobicContact CB-CE1 3.56Å; K613-Y679 HydrophobicContact CB-CE2 3.88Å; K613-Y679 HydrophobicContact CB-CG 4.31Å; K613-Y679 VanDerWaalsContact CB-CZ 3.49Å; K613-Y679 HydrophobicContact CD-CD2 3.79Å; K613-Y679 HydrophobicContact CD-CE2 3.99Å; K613-Y679 HydrophobicContact CD-CG 4.11Å; K613-Y680 PolarHBondContact N-O 2.92Å; K613-A704 CarbonylContact O-C 3.53Å; K613-A704 WeakPolarHBondContact O-CA 3.41Å; K613-K705 PolarHBondContact O-N 3.15Å
614	L	98.4	Very high	93.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133	177.4	164.7	66.7	0	0	0	112	V616 L631 Y679 Y680 F681 E682 K705 I707 L803	L614-V616 HydrophobicContact CG-CG2 4.48Å; L614-L631 HydrophobicContact CD2-CD1 4.12Å; L614-Y679 HydrophobicContact CB-CE1 3.77Å; L614-Y680 PolarHBondContact N-O 3.48Å; L614-F681 HydrophobicContact CB-CB 3.73Å; L614-F681 HydrophobicContact CD2-CB 3.84Å; L614-F681 HydrophobicContact CD2-CG 4.35Å; L614-F681 HydrophobicContact CG-CB 3.86Å; L614-F681 VanDerWaalsContact O-CA 3.25Å; L614-F681 WeakPolarHBondContact O-CA 3.46Å; L614-F681 WeakPolarHBondContact O-CB 3.47Å; L614-E682 PolarHBondContact O-N 3.19Å; L614-E682 VanDerWaalsContact O-N 3.14Å; L614-K705 CarbonylContact C-O 3.51Å; L614-K705 WeakPolarHBondContact CA-O 3.31Å; L614-K705 HydrophobicContact CD1-CB 4.24Å; L614-K705 WeakPolarHBondContact CD1-O 3.42Å; L614-I707 HydrophobicContact CD1-CB 4.14Å; L614-I707 HydrophobicContact CD1-CD1 3.58Å; L614-I707 HydrophobicContact CD1-CG1 3.59Å; L614-I707 HydrophobicContact CD2-CD1 4.08Å; L614-I707 HydrophobicContact CG-CD1 4.49Å; L614-L803 HydrophobicContact CB-CD2 4.46Å; L614-L803 HydrophobicContact CD1-CD2 4.23Å; L614-L803 HydrophobicContact CD2-CD1 3.97Å; L614-L803 HydrophobicContact CD2-CD2 4.14Å
615	L	98.8	Very high	94.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.8	169.1	-55.9	-179.5	0	0	0	110.6	P612 I617 F653 E682 A697 L701 A704 K705 I706 I707	P612-L615 HydrophobicContact CB-CD2 4.5Å; P612-L615 HydrophobicContact CG-CD2 4.2Å; L615-I617 HydrophobicContact CB-CG2 3.93Å; L615-F653 HydrophobicContact CD1-CE2 4.14Å; L615-F653 HydrophobicContact CD2-CE2 4.41Å; L615-E682 HydrophobicContact CD2-CG 3.46Å; L615-E682 VanDerWaalsContact CD2-CG 3.46Å; L615-A697 HydrophobicContact CD1-CB 3.89Å; L615-L701 HydrophobicContact CD1-CD1 4.16Å; L615-L701 HydrophobicContact CD2-CD1 4.03Å; L615-L701 HydrophobicContact CG-CD1 4.4Å; L615-A704 HydrophobicContact CG-CB 4.48Å; L615-K705 PolarHBondContact N-O 2.89Å; L615-I706 HydrophobicContact CB-CD1 3.96Å; L615-I706 HydrophobicContact CD1-CD1 3.95Å; L615-I706 HydrophobicContact CG-CD1 4.22Å; L615-I706 WeakPolarHBondContact O-CA 3.39Å; L615-I707 PolarHBondContact O-N 3.32Å
616	V	98.8	Very high	95	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	102	167	-178.1	0	0	0	0	108.5	L614 T624 L627 L631 E682 K683 S684 I707	L614-V616 HydrophobicContact CG-CG2 4.48Å; V616-T624 HydrophobicContact CG1-CG2 4.47Å; V616-L627 HydrophobicContact CG1-CD2 4.11Å; V616-L627 HydrophobicContact CG2-CD2 4.34Å; V616-L631 HydrophobicContact CG2-CD1 4.06Å; V616-E682 PolarHBondContact N-O 2.92Å; V616-K683 HydrophobicContact CB-CB 3.88Å; V616-K683 HydrophobicContact CB-CG 3.98Å; V616-K683 HydrophobicContact CG1-CB 4.39Å; V616-K683 HydrophobicContact CG1-CG 3.93Å; V616-K683 WeakPolarHBondContact O-CA 3.4Å; V616-S684 PolarHBondContact O-N 2.76Å; V616-I707 WeakPolarHBondContact CA-O 3.19Å; V616-I707 HydrophobicContact CG2-CB 4.38Å
617	I	98.7	Very high	95.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-11.1	-161.9	61.5	165.3	0	0	0	114.4	L615 S684 A685 Y687 F688 I706 I707 W771	L615-I617 HydrophobicContact CB-CG2 3.93Å; I617-S684 CarbonylContact C-O 3.05Å; I617-A685 CarbonylContact O-C 3.52Å; I617-Y687 HydrophobicContact CG2-CD2 4.27Å; I617-Y687 PolarHBondContact O-N 3.45Å; I617-F688 HydrophobicContact CD1-CB 4.49Å; I617-F688 HydrophobicContact CD1-CD2 3.83Å; I617-F688 HydrophobicContact CG1-CB 4.43Å; I617-F688 HydrophobicContact CG1-CD2 4.24Å; I617-F688 VanDerWaalsContact O-CB 3.3Å; I617-F688 WeakPolarHBondContact O-CB 3.44Å; I617-F688 PolarHBondContact O-N 3Å; I617-I706 HydrophobicContact CB-CG2 4.46Å; I617-I706 HydrophobicContact CD1-CG2 3.61Å; I617-I706 HydrophobicContact CG1-CG2 3.91Å; I617-I706 HydrophobicContact CG2-CG2 3.71Å; I617-I707 WeakPolarHBondContact CG1-O 3.35Å; I617-I707 PolarHBondContact N-O 3.02Å; I617-W771 HydrophobicContact CB-CH2 4.29Å; I617-W771 HydrophobicContact CB-CZ2 4.02Å; I617-W771 HydrophobicContact CD1-CD2 3.63Å; I617-W771 VanDerWaalsContact CD1-CE2 3.46Å; I617-W771 HydrophobicContact CD1-CE3 4.21Å; I617-W771 HydrophobicContact CD1-CG 3.94Å; I617-W771 HydrophobicContact CD1-CH2 4.49Å; I617-W771 HydrophobicContact CD1-CZ2 3.95Å; I617-W771 HydrophobicContact CG2-CH2 3.48Å; I617-W771 VanDerWaalsContact CG2-CH2 3.48Å; I617-W771 HydrophobicContact CG2-CZ2 3.74Å; I617-W771 HydrophobicContact CG2-CZ3 3.92Å
618	G	97.9	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119.9	-145.7	-177.1	0	0	0	0	0	113.4	T708 I709	G618-T708 WeakPolarHBondContact O-CA 3.49Å; G618-T708 PolarHBondContact O-OG1 2.95Å; G618-I709 PolarHBondContact O-N 2.89Å
619	P	98.1	Very high	96.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.			cis	-65.1	175.2	-11.9	18.9	-27.6	0	0	0	113.7	T622 T624 F688 T708 I709 L710 Y764	P619-T622 HydrophobicContact CB-CG2 4.49Å; P619-T622 HydrophobicContact CG-CG2 3.78Å; P619-T622 PolarHBondContact O-OG1 2.92Å; P619-T624 WeakPolarHBondContact O-CG2 3.3Å; P619-F688 HydrophobicContact CB-CB 4.27Å; P619-F688 HydrophobicContact CB-CD1 3.61Å; P619-F688 HydrophobicContact CB-CE1 4.18Å; P619-F688 HydrophobicContact CB-CG 4.07Å; P619-F688 HydrophobicContact CG-CD1 3.82Å; P619-F688 HydrophobicContact CG-CE1 3.93Å; P619-F688 HydrophobicContact CG-CG 4.25Å; P619-F688 HydrophobicContact CG-CZ 4.48Å; P619-T708 WeakPolarHBondContact CD-OG1 3.4Å; P619-I709 WeakPolarHBondContact CD-O 3.27Å; P619-L710 HydrophobicContact CG-CD2 4.27Å; P619-Y764 HydrophobicContact CG-CD1 4.34Å; P619-Y764 HydrophobicContact CG-CE1 3.81Å
620	Q	97.2	Very high	96.8	Very high	28 Å²	28	19.4 Å²	19.4	13%	0.131	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	148.3	171.2	-60.2	-177.8	-62.2	0	0	111.1	T622 A685 N686 R716 W720	Q620-T622 VanDerWaalsContact C-N 3.35Å; Q620-T622 PolarHBondContact O-N 2.74Å; Q620-A685 HydrophobicContact CB-CB 4.4Å; Q620-A685 HydrophobicContact CG-CB 3.77Å; Q620-N686 PolarHBondContact NE2-OD1 3.1Å; Q620-R716 PolarHBondContact O-NE 3.09Å; Q620-W720 HydrophobicContact CB-CE3 4.34Å; Q620-W720 HydrophobicContact CB-CZ3 4.38Å; Q620-W720 VanDerWaalsContact CD-CZ3 3.44Å
621	K	96.5	Very high	97.1	Very high	50 Å²	50	17.2 Å²	17.2	22%	0.217	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	12.7	173.1	-43.6	-53.7	-58	-174.9	0	116.5	R716 S719 W720 H723	K621-R716 HydrophobicContact CB-CG 4.47Å; K621-S719 VanDerWaalsContact CE-O 3.3Å; K621-S719 WeakPolarHBondContact CE-O 3.33Å; K621-S719 WeakPolarHBondContact CE-OG 3.46Å; K621-W720 HydrophobicContact CD-CE3 3.97Å; K621-W720 HydrophobicContact CG-CB 4.05Å; K621-W720 HydrophobicContact CG-CE3 3.96Å; K621-H723 HydrophobicContact CD-CB 4.26Å; K621-H723 PolarHBondContact NZ-CD2 3.19Å
622	T	97.3	Very high	97.2	Very high	6 Å²	6	18.6 Å²	18.6	4%	0.037	11%	0.111	C	C	.	.	S	Bend	trans	-103	5	-177.3	61	0	0	0	0	115.1	P619 Q620 I709 I711 R716	P619-T622 HydrophobicContact CB-CG2 4.49Å; P619-T622 HydrophobicContact CG-CG2 3.78Å; P619-T622 PolarHBondContact O-OG1 2.92Å; Q620-T622 VanDerWaalsContact C-N 3.35Å; Q620-T622 PolarHBondContact O-N 2.74Å; T622-I709 WeakPolarHBondContact CB-O 3.37Å; T622-I709 VanDerWaalsContact CG2-O 3.24Å; T622-I709 WeakPolarHBondContact CG2-O 3.1Å; T622-I709 WeakPolarHBondContact O-CG2 3.3Å; T622-I709 PolarHBondContact OG1-O 2.95Å; T622-I711 HydrophobicContact CG2-CD1 4.41Å; T622-I711 HydrophobicContact CG2-CG1 3.99Å; T622-R716 HydrophobicContact CG2-CG 4.06Å
623	G	96	Very high	97.1	Very high	32 Å²	32	20.1 Å²	20.1	33%	0.33	12%	0.118	S	C	.	.	S	Bend	trans	104	11.2	-179.3	0	0	0	0	0	114.8	T625 A626 L627	G623-T625 VanDerWaalsContact C-N 3.32Å; G623-T625 PolarHBondContact O-N 3.01Å; G623-A626 WeakPolarHBondContact O-CA 3.2Å; G623-A626 VanDerWaalsContact O-CB 3.29Å; G623-A626 WeakPolarHBondContact O-CB 3.39Å; G623-A626 PolarHBondContact O-N 2.72Å; G623-L627 PolarHBondContact O-N 3.24Å
624	T	96.8	Very high	97	Very high	8 Å²	8	16.7 Å²	16.7	5%	0.049	10%	0.103	C	C	.	.	H	α-helix	trans	-53.7	-38	-177.7	53.6	0	0	0	0	115.1	V616 P619 L627 Y628 K683 A685 I709	V616-T624 HydrophobicContact CG1-CG2 4.47Å; P619-T624 WeakPolarHBondContact O-CG2 3.3Å; T624-L627 PolarHBondContact O-N 3.08Å; T624-Y628 WeakPolarHBondContact O-CB 3.18Å; T624-Y628 PolarHBondContact O-N 3.28Å; T624-K683 WeakPolarHBondContact OG1-CE 3.33Å; T624-A685 HydrophobicContact CG2-CB 4.34Å; T624-I709 HydrophobicContact CG2-CD1 3.88Å
625	T	96.5	Very high	96.7	Very high	14 Å²	14	21.2 Å²	21.2	9%	0.086	13%	0.133	C	C	.	.	H	α-helix	trans	-69.5	-32.9	175.3	-52.8	0	0	0	0	112.1	G623 L629 E648 K683 L836 K840	G623-T625 VanDerWaalsContact C-N 3.32Å; G623-T625 PolarHBondContact O-N 3.01Å; T625-L629 PolarHBondContact O-N 2.91Å; T625-L629 VanDerWaalsContact O-N 3.13Å; T625-E648 VanDerWaalsContact CG2-OE1 3.25Å; T625-E648 WeakPolarHBondContact CG2-OE1 3.21Å; T625-E648 PolarHBondContact OG1-OE1 3.1Å; T625-K683 PolarHBondContact OG1-NZ 2.78Å; T625-L836 HydrophobicContact CG2-CD2 3.8Å; T625-K840 HydrophobicContact CG2-CD 4.47Å; T625-K840 PolarHBondContact OG1-NZ 3.05Å
626	A	96.4	Very high	96.3	Very high	17 Å²	17	21.9 Å²	21.9	14%	0.14	14%	0.136	C	C	.	.	H	α-helix	trans	-65.8	-47.4	174.6	0	0	0	0	0	110.2	G623 Y628 L629 F630 L836	G623-A626 WeakPolarHBondContact O-CA 3.2Å; G623-A626 VanDerWaalsContact O-CB 3.29Å; G623-A626 WeakPolarHBondContact O-CB 3.39Å; G623-A626 PolarHBondContact O-N 2.72Å; A626-Y628 PolarHBondContact O-N 2.97Å; A626-L629 PolarHBondContact O-N 3.09Å; A626-F630 HydrophobicContact CB-CE2 4.14Å; A626-F630 HydrophobicContact CB-CZ 4.39Å; A626-F630 WeakPolarHBondContact O-CD2 3.41Å; A626-F630 VanDerWaalsContact O-CG 3.24Å; A626-F630 WeakPolarHBondContact O-CG 3.39Å; A626-F630 PolarHBondContact O-N 3.45Å; A626-L836 HydrophobicContact CB-CD1 3.68Å
627	L	98	Very high	96.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-45.9	176.2	178.8	60.3	0	0	0	112.1	V616 G623 T624 L629 F630 L631 I707 I709 L783 L788 M796 I799	V616-L627 HydrophobicContact CG1-CD2 4.11Å; V616-L627 HydrophobicContact CG2-CD2 4.34Å; G623-L627 PolarHBondContact O-N 3.24Å; T624-L627 PolarHBondContact O-N 3.08Å; L627-L629 VanDerWaalsContact C-N 3.3Å; L627-L629 PolarHBondContact O-N 2.87Å; L627-F630 PolarHBondContact O-N 3.44Å; L627-L631 HydrophobicContact CD1-CD1 4.03Å; L627-L631 HydrophobicContact CD1-CD2 4.48Å; L627-L631 HydrophobicContact CD1-CG 3.94Å; L627-L631 HydrophobicContact CD2-CD1 4.4Å; L627-L631 HydrophobicContact CG-CD1 3.83Å; L627-L631 HydrophobicContact CG-CG 4.23Å; L627-L631 WeakPolarHBondContact O-CB 3.1Å; L627-L631 WeakPolarHBondContact O-CG 3.22Å; L627-L631 PolarHBondContact O-N 3.34Å; L627-I707 HydrophobicContact CD2-CG2 3.84Å; L627-I709 HydrophobicContact CB-CD1 3.87Å; L627-I709 HydrophobicContact CD2-CD1 3.6Å; L627-I709 HydrophobicContact CD2-CG1 4.02Å; L627-I709 HydrophobicContact CG-CD1 4.38Å; L627-L783 HydrophobicContact CD2-CD1 3.76Å; L627-L788 HydrophobicContact CB-CD2 4.1Å; L627-M796 HydrophobicContact CD1-SD 3.74Å; L627-I799 HydrophobicContact CD1-CD1 3.37Å; L627-I799 HydrophobicContact CD2-CD1 4.33Å; L627-I799 HydrophobicContact CG-CD1 4.48Å
628	Y	97.6	Very high	95.9	Very high	21 Å²	21	24.4 Å²	24.4	8%	0.082	15%	0.151	C	C	.	.	H	α-helix	trans	-55.2	-44.9	176.8	173.2	-90.7	0	0	0	112.1	T624 A626 G632 S639 N640 E648 F681 K683	T624-Y628 WeakPolarHBondContact O-CB 3.18Å; T624-Y628 PolarHBondContact O-N 3.28Å; A626-Y628 PolarHBondContact O-N 2.97Å; Y628-G632 PolarHBondContact O-N 3.07Å; Y628-G632 VanDerWaalsContact O-N 3.1Å; Y628-S639 VanDerWaalsContact OH-CB 3.32Å; Y628-S639 WeakPolarHBondContact OH-CB 3.2Å; Y628-S639 PolarHBondContact OH-OG 3.15Å; Y628-N640 PolarHBondContact OH-O 3.22Å; Y628-E648 HydrophobicContact CD1-CB 4.26Å; Y628-E648 HydrophobicContact CE1-CB 3.87Å; Y628-F681 HydrophobicContact CD2-CD2 4.32Å; Y628-F681 AromaticContact CD2-CE2 3.55Å; Y628-F681 HydrophobicContact CD2-CE2 3.55Å; Y628-F681 HydrophobicContact CD2-CZ 4.33Å; Y628-F681 AromaticContact CE2-CE2 3.96Å; Y628-F681 HydrophobicContact CE2-CE2 3.96Å; Y628-F681 HydrophobicContact CG-CE2 4.28Å; Y628-K683 HydrophobicContact CD2-CB 3.7Å; Y628-K683 HydrophobicContact CG-CB 4.35Å
629	L	96.2	Very high	95.7	Very high	82 Å²	82	26 Å²	26	43%	0.429	16%	0.163	S	C	.	.	H	α-helix	trans	-66.3	-43	176.8	-72.7	-168.3	0	0	0	112.7	T625 A626 L627 G632 M633 L836	T625-L629 PolarHBondContact O-N 2.91Å; T625-L629 VanDerWaalsContact O-N 3.13Å; A626-L629 PolarHBondContact O-N 3.09Å; L627-L629 VanDerWaalsContact C-N 3.3Å; L627-L629 PolarHBondContact O-N 2.87Å; L629-G632 PolarHBondContact O-N 3.2Å; L629-M633 WeakPolarHBondContact O-CG 3.46Å; L629-M633 PolarHBondContact O-N 3.5Å; L629-L836 HydrophobicContact CD1-CD2 3.22Å; L629-L836 HydrophobicContact CD1-CG 4.02Å; L629-L836 HydrophobicContact CG-CD2 4.05Å
630	F	97.4	Very high	95.6	Very high	11 Å²	11	26.2 Å²	26.2	5%	0.048	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-39.9	179.6	-59.2	-25.8	0	0	0	111.4	A626 L627 G632 M633 L788 P792 M796 Y811 L815	A626-F630 HydrophobicContact CB-CE2 4.14Å; A626-F630 HydrophobicContact CB-CZ 4.39Å; A626-F630 WeakPolarHBondContact O-CD2 3.41Å; A626-F630 VanDerWaalsContact O-CG 3.24Å; A626-F630 WeakPolarHBondContact O-CG 3.39Å; A626-F630 PolarHBondContact O-N 3.45Å; L627-F630 PolarHBondContact O-N 3.44Å; F630-G632 VanDerWaalsContact C-N 3.33Å; F630-G632 PolarHBondContact O-N 3.07Å; F630-M633 HydrophobicContact CD1-SD 4.19Å; F630-M633 WeakPolarHBondContact O-CB 3.45Å; F630-M633 PolarHBondContact O-N 3.42Å; F630-M633 VanDerWaalsContact O-N 3.15Å; F630-L788 HydrophobicContact CD2-CD1 4.23Å; F630-L788 HydrophobicContact CE2-CD1 4.32Å; F630-P792 HydrophobicContact CD2-CB 4.12Å; F630-P792 HydrophobicContact CE2-CB 3.68Å; F630-P792 HydrophobicContact CE2-CG 4.4Å; F630-P792 HydrophobicContact CZ-CB 4.45Å; F630-M796 HydrophobicContact CB-CE 4.22Å; F630-M796 HydrophobicContact CB-CG 4.29Å; F630-M796 HydrophobicContact CB-SD 3.79Å; F630-Y811 HydrophobicContact CB-CE1 4.37Å; F630-Y811 WeakPolarHBondContact O-CE1 3.43Å; F630-Y811 PolarHBondContact O-OH 3.24Å; F630-Y811 VanDerWaalsContact O-OH 3.06Å; F630-L815 HydrophobicContact CD1-CD1 4.41Å; F630-L815 HydrophobicContact CD1-CD2 3.69Å; F630-L815 HydrophobicContact CE1-CD1 4.42Å; F630-L815 HydrophobicContact CE1-CD2 3.6Å; F630-L815 HydrophobicContact CG-CD1 4.46Å; F630-L815 HydrophobicContact CG-CD2 4.47Å; F630-L815 HydrophobicContact CZ-CD1 4.48Å; F630-L815 HydrophobicContact CZ-CD2 4.32Å
631	L	96.6	Very high	95.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-42.9	173.6	-71.5	169	0	0	0	111.9	L614 V616 L627 M633 H634 L637 F681 M796 I799	L614-L631 HydrophobicContact CD2-CD1 4.12Å; V616-L631 HydrophobicContact CG2-CD1 4.06Å; L627-L631 HydrophobicContact CD1-CD1 4.03Å; L627-L631 HydrophobicContact CD1-CD2 4.48Å; L627-L631 HydrophobicContact CD1-CG 3.94Å; L627-L631 HydrophobicContact CD2-CD1 4.4Å; L627-L631 HydrophobicContact CG-CD1 3.83Å; L627-L631 HydrophobicContact CG-CG 4.23Å; L627-L631 WeakPolarHBondContact O-CB 3.1Å; L627-L631 WeakPolarHBondContact O-CG 3.22Å; L627-L631 PolarHBondContact O-N 3.34Å; L631-M633 PolarHBondContact O-N 2.89Å; L631-M633 VanDerWaalsContact O-N 3.1Å; L631-H634 WeakPolarHBondContact O-CB 3.25Å; L631-H634 PolarHBondContact O-N 3.5Å; L631-L637 HydrophobicContact CB-CD1 4.09Å; L631-L637 HydrophobicContact CD2-CD1 3.57Å; L631-L637 HydrophobicContact CG-CD1 4.43Å; L631-F681 HydrophobicContact CB-CE1 4.01Å; L631-F681 HydrophobicContact CB-CE2 3.78Å; L631-F681 HydrophobicContact CB-CZ 3.49Å; L631-F681 VanDerWaalsContact CB-CZ 3.49Å; L631-F681 HydrophobicContact CD1-CD2 4.14Å; L631-F681 HydrophobicContact CD1-CE2 3.99Å; L631-M796 HydrophobicContact CD2-CE 3.58Å; L631-M796 HydrophobicContact CG-CE 4.06Å; L631-I799 HydrophobicContact CD2-CG2 3.81Å
632	G	94.8	Very high	95.5	Very high	41 Å²	41	33.1 Å²	33.1	42%	0.423	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.5	177.6	0	0	0	0	0	114.9	Y628 L629 F630 H634	Y628-G632 PolarHBondContact O-N 3.07Å; Y628-G632 VanDerWaalsContact O-N 3.1Å; L629-G632 PolarHBondContact O-N 3.2Å; F630-G632 VanDerWaalsContact C-N 3.33Å; F630-G632 PolarHBondContact O-N 3.07Å; G632-H634 VanDerWaalsContact C-N 3.34Å
633	M	94.7	Very high	95.4	Very high	36 Å²	36	33.4 Å²	33.4	18%	0.177	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.9	170.9	-65.2	169.4	53.5	0	0	112.5	L629 F630 L631 Y811 I814 L815 Q826	L629-M633 WeakPolarHBondContact O-CG 3.46Å; L629-M633 PolarHBondContact O-N 3.5Å; F630-M633 HydrophobicContact CD1-SD 4.19Å; F630-M633 WeakPolarHBondContact O-CB 3.45Å; F630-M633 PolarHBondContact O-N 3.42Å; F630-M633 VanDerWaalsContact O-N 3.15Å; L631-M633 PolarHBondContact O-N 2.89Å; L631-M633 VanDerWaalsContact O-N 3.1Å; M633-Y811 HydrophobicContact CB-CE1 4.41Å; M633-I814 HydrophobicContact CE-CB 4.08Å; M633-I814 HydrophobicContact CE-CD1 3.59Å; M633-I814 HydrophobicContact CE-CG1 3.79Å; M633-L815 HydrophobicContact CE-CD2 3.99Å; M633-L815 HydrophobicContact SD-CD2 4.12Å; M633-Q826 HydrophobicContact CE-CB 4.07Å; M633-Q826 HydrophobicContact CE-CG 3.64Å; M633-Q826 HydrophobicContact SD-CB 3.88Å; M633-Q826 HydrophobicContact SD-CG 3.9Å
634	H	94.3	Very high	95.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.019	23%	0.23	C	C	.	.	S	Bend	trans	-84	130.7	178.5	-163	-74.8	0	0	0	111.5	L631 G632 D636 L637 Q800 N807 I809	L631-H634 WeakPolarHBondContact O-CB 3.25Å; L631-H634 PolarHBondContact O-N 3.5Å; G632-H634 VanDerWaalsContact C-N 3.34Å; H634-D636 VanDerWaalsContact C-N 3.28Å; H634-D636 IonicContact CE1-OD2 3.46Å; H634-D636 PolarHBondContact CE1-OD2 3Å; H634-D636 PolarHBondContact ND1-N 2.74Å; H634-D636 VanDerWaalsContact ND1-N 3.14Å; H634-D636 PolarHBondContact O-N 3.38Å; H634-L637 HydrophobicContact CB-CB 4.03Å; H634-L637 HydrophobicContact CB-CD1 3.92Å; H634-L637 HydrophobicContact CB-CG 3.95Å; H634-L637 PolarHBondContact O-N 3.22Å; H634-L637 VanDerWaalsContact O-N 3.09Å; H634-L637 VanDerWaalsContact O-O 3.05Å; H634-Q800 PolarHBondContact CD2-OE1 3.29Å; H634-Q800 PolarHBondContact NE2-OE1 3.41Å; H634-N807 PolarHBondContact CE1-O 3.42Å; H634-N807 VanDerWaalsContact CE1-O 3.28Å; H634-N807 PolarHBondContact NE2-O 2.68Å; H634-I809 HydrophobicContact CB-CD1 4.13Å
635	P	91.7	Very high	95.2	Very high	95 Å²	95	47.4 Å²	47.4	62%	0.617	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.5	-175.5	27.2	-34.7	0	0	0	112.7	L637 I809	P635-L637 VanDerWaalsContact C-N 3.33Å; P635-I809 HydrophobicContact CG-CD1 4.31Å
636	D	91.3	Very high	95.1	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.08	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.4	177.9	-53.8	-15.2	0	0	0	113.5	H634 Y679 P806 N807	H634-D636 VanDerWaalsContact C-N 3.28Å; H634-D636 IonicContact CE1-OD2 3.46Å; H634-D636 PolarHBondContact CE1-OD2 3Å; H634-D636 PolarHBondContact ND1-N 2.74Å; H634-D636 VanDerWaalsContact ND1-N 3.14Å; H634-D636 PolarHBondContact O-N 3.38Å; D636-Y679 VanDerWaalsContact O-CB 3.22Å; D636-Y679 WeakPolarHBondContact O-CB 3.48Å; D636-Y679 PolarHBondContact O-N 2.93Å; D636-P806 WeakPolarHBondContact OD2-CD 3.44Å; D636-P806 WeakPolarHBondContact OD2-CG 3.3Å; D636-N807 PolarHBondContact OD1-ND2 3Å; D636-N807 WeakPolarHBondContact OD2-CB 3.39Å; D636-N807 PolarHBondContact OD2-N 3.21Å; D636-N807 PolarHBondContact OD2-ND2 2.85Å
637	L	93.7	Very high	95	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.9	-178.9	-63.3	180	0	0	0	110.1	L631 H634 P635 Y679 F681 L803 L805	L631-L637 HydrophobicContact CB-CD1 4.09Å; L631-L637 HydrophobicContact CD2-CD1 3.57Å; L631-L637 HydrophobicContact CG-CD1 4.43Å; H634-L637 HydrophobicContact CB-CB 4.03Å; H634-L637 HydrophobicContact CB-CD1 3.92Å; H634-L637 HydrophobicContact CB-CG 3.95Å; H634-L637 PolarHBondContact O-N 3.22Å; H634-L637 VanDerWaalsContact O-N 3.09Å; H634-L637 VanDerWaalsContact O-O 3.05Å; P635-L637 VanDerWaalsContact C-N 3.33Å; L637-Y679 WeakPolarHBondContact CA-O 3.41Å; L637-Y679 HydrophobicContact CD2-CD1 3.49Å; L637-Y679 VanDerWaalsContact CD2-CD1 3.49Å; L637-Y679 HydrophobicContact CD2-CE1 4.2Å; L637-Y679 HydrophobicContact CD2-CG 3.92Å; L637-F681 HydrophobicContact CB-CD1 4.11Å; L637-F681 HydrophobicContact CB-CE1 3.93Å; L637-L803 HydrophobicContact CD1-CD1 4.26Å; L637-L803 HydrophobicContact CD2-CD1 4.17Å; L637-L805 HydrophobicContact CD1-CD1 4.04Å; L637-L805 HydrophobicContact CD2-CD1 4.17Å; L637-L805 HydrophobicContact CD2-CD2 3.92Å; L637-L805 HydrophobicContact CG-CD1 4.01Å
638	T	94.8	Very high	94.8	Very high	46 Å²	46	55.8 Å²	55.8	28%	0.282	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.6	177.2	-64.8	0	0	0	0	110	P670 Y679 Y680 F681	T638-P670 HydrophobicContact CG2-CG 3.97Å; T638-Y679 PolarHBondContact N-O 2.77Å; T638-Y680 HydrophobicContact CG2-CD1 3.9Å; T638-Y680 HydrophobicContact CG2-CE1 3.77Å; T638-Y680 VanDerWaalsContact O-CA 3.3Å; T638-Y680 WeakPolarHBondContact O-CA 3.48Å; T638-F681 WeakPolarHBondContact O-CD1 3.32Å; T638-F681 PolarHBondContact O-N 3.17Å; T638-F681 VanDerWaalsContact O-N 3.08Å
639	S	94.9	Very high	94.8	Very high	34 Å²	34	55.7 Å²	55.7	24%	0.238	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	163.7	176.5	63.3	0	0	0	0	111.7	Y628	Y628-S639 VanDerWaalsContact OH-CB 3.32Å; Y628-S639 WeakPolarHBondContact OH-CB 3.2Å; Y628-S639 PolarHBondContact OH-OG 3.15Å
640	N	96	Very high	94.8	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-60.5	156.5	168	61.8	-77.6	0	0	0	113.1	Y628 E648 I650 Y668 F669 F681	Y628-N640 PolarHBondContact OH-O 3.22Å; N640-E648 PolarHBondContact ND2-O 3.11Å; N640-I650 HydrophobicContact CB-CD1 3.73Å; N640-I650 HydrophobicContact CB-CG1 4.14Å; N640-Y668 CarbonylContact C-O 3.57Å; N640-Y668 VanDerWaalsContact CA-O 3.32Å; N640-Y668 WeakPolarHBondContact CA-O 3.37Å; N640-F669 HydrophobicContact CB-CD1 4.31Å; N640-F669 HydrophobicContact CB-CE1 3.88Å; N640-F669 HydrophobicContact CB-CZ 4.26Å; N640-F681 PolarHBondContact N-O 3.35Å
641	Y	96.3	Very high	94.9	Very high	127 Å²	127	53.3 Å²	53.3	50%	0.498	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-64.1	147.2	164	-64.9	-54.6	0	0	0	110.7	Y668 P670	Y641-Y668 WeakPolarHBondContact CD2-O 3.35Å; Y641-Y668 PolarHBondContact N-O 3.4Å; Y641-Y668 WeakPolarHBondContact O-CD1 3.43Å; Y641-P670 HydrophobicContact CE1-CG 4.43Å; Y641-P670 HydrophobicContact CE2-CB 4.42Å; Y641-P670 HydrophobicContact CE2-CG 4.08Å
642	P	95.2	Very high	94.9	Very high	96 Å²	96	53.3 Å²	53.3	62%	0.623	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-72.2	138.6	-179.8	29.1	-34.1	0	0	0	111.7	F647	P642-F647 CarbonylContact C-O 3.55Å; P642-F647 VanDerWaalsContact CA-O 3.27Å; P642-F647 WeakPolarHBondContact CA-O 3.29Å
643	S	95.2	Very high	95.1	Very high	12 Å²	12	51.4 Å²	51.4	8%	0.084	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-77.1	142.5	168	171.2	0	0	0	0	110.8	E645 T646 F647	S643-E645 PolarHBondContact O-N 3.31Å; S643-E645 PolarHBondContact OG-N 2.87Å; S643-E645 VanDerWaalsContact OG-N 3.16Å; S643-T646 WeakPolarHBondContact CB-OG1 3.17Å; S643-T646 PolarHBondContact OG-N 2.98Å; S643-T646 VanDerWaalsContact OG-N 3.12Å; S643-T646 PolarHBondContact OG-OG1 2.8Å; S643-F647 PolarHBondContact N-O 2.92Å; S643-F647 VanDerWaalsContact O-CA 3.22Å; S643-F647 WeakPolarHBondContact O-CA 3.07Å; S643-F647 PolarHBondContact O-N 3.43Å
644	K	93.7	Very high	95.2	Very high	209 Å²	209	51.6 Å²	51.6	91%	0.909	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.3	173.3	-66.3	-178.2	-179.6	177.2	0	112.7
645	E	93.9	Very high	95.1	Very high	126 Å²	126	52.6 Å²	52.6	59%	0.589	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-39.1	-175.7	-65.1	175.8	-174	0	0	111.8	S643	S643-E645 PolarHBondContact O-N 3.31Å; S643-E645 PolarHBondContact OG-N 2.87Å; S643-E645 VanDerWaalsContact OG-N 3.16Å
646	T	94.6	Very high	95.2	Very high	23 Å²	23	54 Å²	54	14%	0.141	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	9.1	-170.6	49.5	0	0	0	0	113.4	S643 E648 E649 Q651	S643-T646 WeakPolarHBondContact CB-OG1 3.17Å; S643-T646 PolarHBondContact OG-N 2.98Å; S643-T646 VanDerWaalsContact OG-N 3.12Å; S643-T646 PolarHBondContact OG-OG1 2.8Å; T646-E648 PolarHBondContact O-N 3.35Å; T646-E649 WeakPolarHBondContact CB-O 3.25Å; T646-E649 PolarHBondContact O-N 2.78Å; T646-E649 VanDerWaalsContact O-N 3.08Å; T646-E649 PolarHBondContact OG1-O 2.95Å; T646-Q651 HydrophobicContact CG2-CB 4.47Å; T646-Q651 HydrophobicContact CG2-CG 4.18Å
647	F	94	Very high	95.4	Very high	143 Å²	143	53.6 Å²	53.6	63%	0.627	27%	0.267	S	S	*	.	B	Isolated β-bridge	trans	56.8	-121.2	176.4	-51.7	-83.3	0	0	0	112.3	P642 S643 E649	P642-F647 CarbonylContact C-O 3.55Å; P642-F647 VanDerWaalsContact CA-O 3.27Å; P642-F647 WeakPolarHBondContact CA-O 3.29Å; S643-F647 PolarHBondContact N-O 2.92Å; S643-F647 VanDerWaalsContact O-CA 3.22Å; S643-F647 WeakPolarHBondContact O-CA 3.07Å; S643-F647 PolarHBondContact O-N 3.43Å; F647-E649 PolarHBondContact O-N 3.46Å
648	E	93.7	Very high	95.6	Very high	41 Å²	41	53.3 Å²	53.3	19%	0.192	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.9	178.8	70.8	-94.8	-154.4	0	0	113.9	T625 Y628 N640 T646 K683 K840	T625-E648 VanDerWaalsContact CG2-OE1 3.25Å; T625-E648 WeakPolarHBondContact CG2-OE1 3.21Å; T625-E648 PolarHBondContact OG1-OE1 3.1Å; Y628-E648 HydrophobicContact CD1-CB 4.26Å; Y628-E648 HydrophobicContact CE1-CB 3.87Å; N640-E648 PolarHBondContact ND2-O 3.11Å; T646-E648 PolarHBondContact O-N 3.35Å; E648-K683 HydrophobicContact CG-CD 4.45Å; E648-K683 IonicContact OE1-NZ 3.41Å; E648-K683 PolarHBondContact OE1-NZ 3.47Å; E648-K840 IonicContact OE1-NZ 3.47Å; E648-K840 PolarHBondContact OE1-NZ 2.88Å
649	E	97.4	Very high	95.6	Very high	19 Å²	19	54.2 Å²	54.2	9%	0.089	27%	0.267	C	S	.	.			trans	-93.2	145.3	-176.6	-49.5	-164.9	166.3	0	0	112.2	T646 F647 Q651 K683 A685	T646-E649 WeakPolarHBondContact CB-O 3.25Å; T646-E649 PolarHBondContact O-N 2.78Å; T646-E649 VanDerWaalsContact O-N 3.08Å; T646-E649 PolarHBondContact OG1-O 2.95Å; F647-E649 PolarHBondContact O-N 3.46Å; E649-Q651 HydrophobicContact CB-CG 3.86Å; E649-Q651 PolarHBondContact OE2-NE2 3.17Å; E649-K683 VanDerWaalsContact CA-O 3.25Å; E649-K683 WeakPolarHBondContact CA-O 3.31Å; E649-K683 WeakPolarHBondContact CB-O 3.38Å; E649-K683 HydrophobicContact CG-CD 3.88Å; E649-K683 WeakPolarHBondContact CG-O 3.48Å; E649-K683 WeakPolarHBondContact OE1-CE 3.47Å; E649-K683 IonicContact OE1-NZ 3.97Å; E649-K683 PolarHBondContact OE1-NZ 3.47Å; E649-A685 PolarHBondContact OE1-N 2.87Å
650	I	97.7	Very high	95.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.273	C	S	.	.			trans	-90.8	-39.3	174	-53.9	177.9	0	0	0	110.7	N640 F652 N657 W664 Y665 Y668 F669 E682 S684	N640-I650 HydrophobicContact CB-CD1 3.73Å; N640-I650 HydrophobicContact CB-CG1 4.14Å; I650-F652 VanDerWaalsContact C-N 3.3Å; I650-F652 HydrophobicContact CG2-CB 4.02Å; I650-F652 PolarHBondContact O-N 2.94Å; I650-N657 PolarHBondContact O-ND2 3.34Å; I650-W664 HydrophobicContact CG2-CH2 4Å; I650-W664 HydrophobicContact CG2-CZ3 3.74Å; I650-Y665 HydrophobicContact CB-CE2 4.43Å; I650-Y665 HydrophobicContact CD1-CD2 4.31Å; I650-Y665 HydrophobicContact CD1-CE2 3.78Å; I650-Y665 HydrophobicContact CG2-CD2 3.86Å; I650-Y665 HydrophobicContact CG2-CE2 3.97Å; I650-Y668 HydrophobicContact CD1-CG 4.09Å; I650-Y668 HydrophobicContact CG1-CD1 4.25Å; I650-Y668 HydrophobicContact CG1-CG 4.14Å; I650-Y668 HydrophobicContact CG2-CD2 3.86Å; I650-Y668 HydrophobicContact CG2-CE2 4.01Å; I650-Y668 HydrophobicContact CG2-CG 4.18Å; I650-F669 HydrophobicContact CD1-CE1 4.46Å; I650-F669 HydrophobicContact CD1-CE2 3.87Å; I650-F669 HydrophobicContact CD1-CZ 3.59Å; I650-E682 HydrophobicContact CD1-CB 3.74Å; I650-E682 HydrophobicContact CD1-CG 4.26Å; I650-E682 HydrophobicContact CG1-CB 4.32Å; I650-S684 PolarHBondContact N-OG 3.38Å
651	Q	97.8	Very high	95.5	Very high	43 Å²	43	57.2 Å²	57.2	20%	0.201	27%	0.273	C	S	.	.			trans	54.4	44.1	-178.1	-56.6	-173.7	1.9	0	0	112.8	T646 E649 N654 N657 S684 N686	T646-Q651 HydrophobicContact CG2-CB 4.47Å; T646-Q651 HydrophobicContact CG2-CG 4.18Å; E649-Q651 HydrophobicContact CB-CG 3.86Å; E649-Q651 PolarHBondContact OE2-NE2 3.17Å; Q651-N654 VanDerWaalsContact CA-OD1 3.25Å; Q651-N654 WeakPolarHBondContact CA-OD1 3.35Å; Q651-N654 WeakPolarHBondContact CB-OD1 3.34Å; Q651-N654 PolarHBondContact O-OD1 3.12Å; Q651-N654 VanDerWaalsContact O-OD1 3.14Å; Q651-N657 WeakPolarHBondContact O-CB 3.42Å; Q651-N657 PolarHBondContact O-ND2 2.95Å; Q651-S684 PolarHBondContact N-OG 2.78Å; Q651-N686 PolarHBondContact NE2-ND2 3.27Å
652	F	98.4	Very high	95.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.251	C	S	.	.			trans	-75	-54.5	-179	-178.3	-118.4	0	0	0	111.8	W589 I650 N654 Y658 G661 W664 Y665 Y687 L700	W589-F652 AromaticContact CD1-CZ 3.86Å; I650-F652 VanDerWaalsContact C-N 3.3Å; I650-F652 HydrophobicContact CG2-CB 4.02Å; I650-F652 PolarHBondContact O-N 2.94Å; F652-N654 PolarHBondContact O-N 3.41Å; F652-Y658 AromaticContact CD1-CD2 3.98Å; F652-Y658 HydrophobicContact CD1-CD2 3.98Å; F652-Y658 HydrophobicContact CD1-CE2 4.39Å; F652-Y658 AromaticContact CE1-CD2 3.6Å; F652-Y658 HydrophobicContact CE1-CD2 3.6Å; F652-Y658 AromaticContact CE1-CE2 3.74Å; F652-Y658 HydrophobicContact CE1-CE2 3.74Å; F652-Y658 HydrophobicContact CE2-CD2 4.22Å; F652-Y658 HydrophobicContact CG-CD2 4.43Å; F652-Y658 AromaticContact CZ-CD2 3.74Å; F652-Y658 HydrophobicContact CZ-CD2 3.74Å; F652-Y658 HydrophobicContact CZ-CE2 4.07Å; F652-Y658 WeakPolarHBondContact O-CA 3.38Å; F652-Y658 VanDerWaalsContact O-CB 3.25Å; F652-Y658 WeakPolarHBondContact O-CB 3.41Å; F652-Y658 PolarHBondContact O-N 3.36Å; F652-Y658 VanDerWaalsContact O-N 3.14Å; F652-G661 WeakPolarHBondContact CE2-O 3.36Å; F652-W664 HydrophobicContact CB-CZ3 4.3Å; F652-W664 AromaticContact CD2-CE3 3.71Å; F652-W664 HydrophobicContact CD2-CE3 3.71Å; F652-W664 AromaticContact CD2-CZ3 3.72Å; F652-W664 HydrophobicContact CD2-CZ3 3.72Å; F652-W664 HydrophobicContact CE2-CE3 4.15Å; F652-W664 HydrophobicContact CG-CZ3 4.44Å; F652-Y665 HydrophobicContact CB-CD2 3.46Å; F652-Y665 VanDerWaalsContact CB-CD2 3.46Å; F652-Y665 HydrophobicContact CB-CE2 3.62Å; F652-Y665 HydrophobicContact CB-CG 4.39Å; F652-Y665 HydrophobicContact CD1-CD1 4.17Å; F652-Y665 AromaticContact CD1-CD2 3.57Å; F652-Y665 HydrophobicContact CD1-CD2 3.57Å; F652-Y665 HydrophobicContact CD1-CE1 4.49Å; F652-Y665 AromaticContact CD1-CE2 3.93Å; F652-Y665 HydrophobicContact CD1-CE2 3.93Å; F652-Y665 AromaticContact CD1-CG 3.68Å; F652-Y665 HydrophobicContact CD1-CG 3.68Å; F652-Y665 HydrophobicContact CD2-CD2 4.03Å; F652-Y665 HydrophobicContact CD2-CG 4.28Å; F652-Y665 HydrophobicContact CE1-CD1 4.27Å; F652-Y665 HydrophobicContact CE1-CD2 4.29Å; F652-Y665 AromaticContact CE1-CG 3.94Å; F652-Y665 HydrophobicContact CE1-CG 3.94Å; F652-Y665 HydrophobicContact CE2-CG 4.49Å; F652-Y665 AromaticContact CG-CD2 3.42Å; F652-Y665 HydrophobicContact CG-CD2 3.42Å; F652-Y665 VanDerWaalsContact CG-CD2 3.42Å; F652-Y665 AromaticContact CG-CE2 3.95Å; F652-Y665 HydrophobicContact CG-CE2 3.95Å; F652-Y665 AromaticContact CG-CG 3.87Å; F652-Y665 HydrophobicContact CG-CG 3.87Å; F652-Y665 HydrophobicContact CZ-CG 4.34Å; F652-Y687 PolarHBondContact N-OH 2.71Å; F652-L700 HydrophobicContact CE1-CD2 3.87Å
653	F	98.4	Very high	95.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.8	-168.3	-61.7	-65.9	0	0	0	115.2	L615 Y658 Y665 Y687 A693 R696 A697 L700 L701	L615-F653 HydrophobicContact CD1-CE2 4.14Å; L615-F653 HydrophobicContact CD2-CE2 4.41Å; F653-Y658 AromaticContact CD1-CD2 3.99Å; F653-Y658 HydrophobicContact CD1-CD2 3.99Å; F653-Y658 AromaticContact CD1-CE2 3.77Å; F653-Y658 HydrophobicContact CD1-CE2 3.77Å; F653-Y658 HydrophobicContact CE1-CE2 4.13Å; F653-Y665 HydrophobicContact CE2-CE1 4.42Å; F653-Y665 HydrophobicContact CE2-CE2 4.47Å; F653-Y665 AromaticContact CE2-CZ 3.92Å; F653-Y665 WeakPolarHBondContact CE2-OH 3.41Å; F653-Y665 HydrophobicContact CZ-CE1 4.15Å; F653-Y687 HydrophobicContact CB-CD1 4.31Å; F653-Y687 HydrophobicContact CB-CE1 3.92Å; F653-Y687 HydrophobicContact CD2-CD2 4.33Å; F653-Y687 HydrophobicContact CD2-CE1 4.31Å; F653-Y687 AromaticContact CD2-CE2 3.6Å; F653-Y687 HydrophobicContact CD2-CE2 3.6Å; F653-Y687 AromaticContact CD2-CZ 3.59Å; F653-Y687 HydrophobicContact CE2-CE2 4.37Å; F653-Y687 PolarHBondContact N-OH 3.45Å; F653-A693 HydrophobicContact CB-CB 3.95Å; F653-R696 HydrophobicContact CB-CB 4.4Å; F653-R696 HydrophobicContact CD1-CB 3.81Å; F653-R696 VanDerWaalsContact O-CD 3.28Å; F653-R696 WeakPolarHBondContact O-CD 3.32Å; F653-R696 PolarHBondContact O-NH1 2.98Å; F653-A697 HydrophobicContact CD1-CB 4.27Å; F653-A697 HydrophobicContact CD2-CB 4.01Å; F653-A697 HydrophobicContact CE1-CB 4.34Å; F653-A697 HydrophobicContact CE2-CB 4.11Å; F653-A697 HydrophobicContact CG-CB 4.11Å; F653-A697 HydrophobicContact CZ-CB 4.27Å; F653-L700 HydrophobicContact CE1-CB 4.23Å; F653-L700 HydrophobicContact CE1-CD2 4.02Å; F653-L700 HydrophobicContact CZ-CD2 4.11Å; F653-L701 HydrophobicContact CE2-CD1 3.94Å; F653-L701 HydrophobicContact CZ-CD1 3.71Å; F653-L701 HydrophobicContact CZ-CG 4.23Å
654	N	95.5	Very high	95.2	Very high	40 Å²	40	49.2 Å²	49.2	21%	0.214	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.5	-170.8	63.4	-62.7	0	0	0	115.7	Q651 F652 N686 Y687	Q651-N654 VanDerWaalsContact CA-OD1 3.25Å; Q651-N654 WeakPolarHBondContact CA-OD1 3.35Å; Q651-N654 WeakPolarHBondContact CB-OD1 3.34Å; Q651-N654 PolarHBondContact O-OD1 3.12Å; Q651-N654 VanDerWaalsContact O-OD1 3.14Å; F652-N654 PolarHBondContact O-N 3.41Å; N654-N686 HydrophobicContact CB-CB 4.39Å; N654-Y687 HydrophobicContact CB-CD1 3.95Å; N654-Y687 HydrophobicContact CB-CE1 4.32Å; N654-Y687 WeakPolarHBondContact OD1-CE1 3.32Å
655	G	92.3	Very high	95.4	Very high	26 Å²	26	39.2 Å²	39.2	27%	0.268	19%	0.187	S	C	.	.	S	Bend	trans	-161.8	-144.8	-167.8	0	0	0	0	0	115.2	N657 Y658 R696	G655-N657 VanDerWaalsContact C-N 3.32Å; G655-N657 PolarHBondContact O-N 3.06Å; G655-Y658 WeakPolarHBondContact O-CB 3.48Å; G655-Y658 PolarHBondContact O-N 2.93Å; G655-R696 PolarHBondContact O-NH1 3.44Å
656	H	94.3	Very high	95.3	Very high	125 Å²	125	33.4 Å²	33.4	58%	0.579	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-68	-27.3	-169.9	66.9	76.3	0	0	0	113.9	Y658 H659	H656-Y658 PolarHBondContact O-N 3.2Å; H656-H659 PolarHBondContact O-CD2 3.32Å; H656-H659 PolarHBondContact O-N 3.15Å; H656-H659 VanDerWaalsContact O-N 3.16Å
657	N	96.5	Very high	95.3	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.027	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61.7	-27.2	179.5	-75.6	-25	0	0	0	112.2	I650 Q651 G655 H659 R660 W664	I650-N657 PolarHBondContact O-ND2 3.34Å; Q651-N657 WeakPolarHBondContact O-CB 3.42Å; Q651-N657 PolarHBondContact O-ND2 2.95Å; G655-N657 VanDerWaalsContact C-N 3.32Å; G655-N657 PolarHBondContact O-N 3.06Å; N657-H659 PolarHBondContact O-N 2.79Å; N657-H659 VanDerWaalsContact O-N 3.17Å; N657-R660 VanDerWaalsContact O-CB 3.3Å; N657-R660 WeakPolarHBondContact O-CB 3.41Å; N657-R660 PolarHBondContact O-N 3.38Å; N657-W664 HydrophobicContact CB-CH2 3.68Å; N657-W664 HydrophobicContact CB-CZ2 4.38Å; N657-W664 HydrophobicContact CB-CZ3 3.77Å
658	Y	97.1	Very high	95.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-53.9	-36.4	175.6	-165.9	-107.8	0	0	0	113.3	P587 W589 F652 F653 G655 H656 R660 G661 R696	P587-Y658 HydrophobicContact CG-CE1 4.47Å; P587-Y658 VanDerWaalsContact O-CE1 3.27Å; P587-Y658 WeakPolarHBondContact O-CE1 3.42Å; W589-Y658 AromaticContact CD1-CE1 3.59Å; W589-Y658 AromaticContact CD1-CE2 3.45Å; W589-Y658 VanDerWaalsContact CD1-CE2 3.45Å; W589-Y658 AromaticContact CD1-CZ 3.22Å; W589-Y658 HydrophobicContact CG-CE1 4.26Å; W589-Y658 HydrophobicContact CG-CE2 4.34Å; W589-Y658 AromaticContact CG-CZ 3.83Å; W589-Y658 PolarHBondContact N-OH 2.98Å; W589-Y658 AromaticContact NE1-CD1 3.95Å; W589-Y658 AromaticContact NE1-CE1 3.7Å; W589-Y658 AromaticContact NE1-CZ 3.83Å; W589-Y658 PolarHBondContact NE1-O 3.25Å; F652-Y658 AromaticContact CD1-CD2 3.98Å; F652-Y658 HydrophobicContact CD1-CD2 3.98Å; F652-Y658 HydrophobicContact CD1-CE2 4.39Å; F652-Y658 AromaticContact CE1-CD2 3.6Å; F652-Y658 HydrophobicContact CE1-CD2 3.6Å; F652-Y658 AromaticContact CE1-CE2 3.74Å; F652-Y658 HydrophobicContact CE1-CE2 3.74Å; F652-Y658 HydrophobicContact CE2-CD2 4.22Å; F652-Y658 HydrophobicContact CG-CD2 4.43Å; F652-Y658 AromaticContact CZ-CD2 3.74Å; F652-Y658 HydrophobicContact CZ-CD2 3.74Å; F652-Y658 HydrophobicContact CZ-CE2 4.07Å; F652-Y658 WeakPolarHBondContact O-CA 3.38Å; F652-Y658 VanDerWaalsContact O-CB 3.25Å; F652-Y658 WeakPolarHBondContact O-CB 3.41Å; F652-Y658 PolarHBondContact O-N 3.36Å; F652-Y658 VanDerWaalsContact O-N 3.14Å; F653-Y658 AromaticContact CD1-CD2 3.99Å; F653-Y658 HydrophobicContact CD1-CD2 3.99Å; F653-Y658 AromaticContact CD1-CE2 3.77Å; F653-Y658 HydrophobicContact CD1-CE2 3.77Å; F653-Y658 HydrophobicContact CE1-CE2 4.13Å; G655-Y658 WeakPolarHBondContact O-CB 3.48Å; G655-Y658 PolarHBondContact O-N 2.93Å; H656-Y658 PolarHBondContact O-N 3.2Å; Y658-R660 PolarHBondContact O-N 3.47Å; Y658-G661 PolarHBondContact O-N 3.48Å; Y658-R696 HydrophobicContact CD1-CG 4.46Å; Y658-R696 HydrophobicContact CD2-CB 4.32Å; Y658-R696 HydrophobicContact CD2-CG 4.42Å; Y658-R696 HydrophobicContact CE1-CG 3.95Å; Y658-R696 HydrophobicContact CE2-CB 3.66Å; Y658-R696 HydrophobicContact CE2-CG 3.91Å
659	H	95	Very high	95.4	Very high	66 Å²	66	31 Å²	31	31%	0.306	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-75.6	-9.6	-176.8	-57.4	-83.4	0	0	0	113.2	H482 D586 H656 N657 G661	H482-H659 PolarHBondContact CE1-O 3.4Å; H482-H659 PolarHBondContact ND1-O 3.19Å; D586-H659 IonicContact OD1-CE1 2.69Å; D586-H659 PolarHBondContact OD1-CE1 3.05Å; D586-H659 IonicContact OD1-ND1 3.49Å; H656-H659 PolarHBondContact O-CD2 3.32Å; H656-H659 PolarHBondContact O-N 3.15Å; H656-H659 VanDerWaalsContact O-N 3.16Å; N657-H659 PolarHBondContact O-N 2.79Å; N657-H659 VanDerWaalsContact O-N 3.17Å; H659-G661 PolarHBondContact O-N 2.97Å
660	R	94.4	Very high	94.9	Very high	99 Å²	99	31.1 Å²	31.1	37%	0.374	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-73.1	-12.1	171.7	-60.6	-176.2	173.9	-179.8	1.5	112.6	N657 Y658 W664	N657-R660 VanDerWaalsContact O-CB 3.3Å; N657-R660 WeakPolarHBondContact O-CB 3.41Å; N657-R660 PolarHBondContact O-N 3.38Å; Y658-R660 PolarHBondContact O-N 3.47Å; R660-W664 HydrophobicContact CB-CB 3.68Å; R660-W664 HydrophobicContact CB-CD2 3.9Å; R660-W664 HydrophobicContact CB-CE3 4.42Å; R660-W664 HydrophobicContact CB-CG 3.55Å; R660-W664 VanDerWaalsContact CD-CE2 3.48Å; R660-W664 HydrophobicContact CG-CD2 4.45Å; R660-W664 HydrophobicContact CG-CG 4.34Å
661	G	94.6	Very high	94.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	90.1	172.6	172.3	0	0	0	0	0	114.3	F652 Y658 H659 D663 W664 Y665	F652-G661 WeakPolarHBondContact CE2-O 3.36Å; Y658-G661 PolarHBondContact O-N 3.48Å; H659-G661 PolarHBondContact O-N 2.97Å; G661-D663 VanDerWaalsContact C-N 3.3Å; G661-D663 PolarHBondContact O-N 3.11Å; G661-W664 PolarHBondContact O-N 2.92Å; G661-Y665 PolarHBondContact O-N 3.22Å
662	I	94.8	Very high	93.2	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.046	18%	0.18	C	C	.	.	H	α-helix	trans	-61.8	-38.8	-176.4	-58.6	175.8	0	0	0	111.3	W589 P592 F611 W664 Y665 M666 L700	W589-I662 HydrophobicContact CB-CD1 3.89Å; W589-I662 HydrophobicContact CB-CG1 3.76Å; W589-I662 HydrophobicContact CD2-CG1 4.28Å; W589-I662 HydrophobicContact CG-CD1 4.33Å; W589-I662 HydrophobicContact CG-CG1 3.82Å; P592-I662 HydrophobicContact CG-CD1 4.03Å; F611-I662 HydrophobicContact CE1-CG2 3.68Å; F611-I662 HydrophobicContact CZ-CG2 3.49Å; F611-I662 VanDerWaalsContact CZ-CG2 3.49Å; I662-W664 VanDerWaalsContact C-N 3.34Å; I662-W664 PolarHBondContact O-N 3.42Å; I662-Y665 WeakPolarHBondContact O-CB 3.37Å; I662-Y665 PolarHBondContact O-N 3.11Å; I662-M666 HydrophobicContact CG2-CG 4.16Å; I662-M666 HydrophobicContact CG2-SD 3.9Å; I662-M666 WeakPolarHBondContact O-CG 3.48Å; I662-M666 PolarHBondContact O-N 3.26Å; I662-L700 HydrophobicContact CD1-CD1 3.88Å; I662-L700 HydrophobicContact CG1-CD1 4.09Å; I662-L700 HydrophobicContact CG2-CD1 4.31Å
663	D	91.8	Very high	91.6	Very high	25 Å²	25	38.9 Å²	38.9	13%	0.134	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-45.8	-178.2	-66.4	0.3	0	0	0	111.3	M448 K606 G661 Y665 M666 E667	M448-D663 HydrophobicContact CG-CB 4.3Å; K606-D663 VanDerWaalsContact CE-OD1 3.24Å; K606-D663 WeakPolarHBondContact CE-OD1 3.26Å; K606-D663 WeakPolarHBondContact CE-OD2 3.36Å; K606-D663 IonicContact NZ-OD1 2.75Å; K606-D663 PolarHBondContact NZ-OD1 3.2Å; K606-D663 IonicContact NZ-OD2 3.05Å; K606-D663 PolarHBondContact NZ-OD2 3.49Å; G661-D663 VanDerWaalsContact C-N 3.3Å; G661-D663 PolarHBondContact O-N 3.11Å; D663-Y665 VanDerWaalsContact C-N 3.27Å; D663-Y665 PolarHBondContact O-N 3.31Å; D663-M666 PolarHBondContact O-N 3.11Å; D663-E667 WeakPolarHBondContact O-CG 3.36Å; D663-E667 PolarHBondContact O-N 2.73Å; D663-E667 VanDerWaalsContact O-N 3.08Å
664	W	94.4	Very high	89.8	Confident	33 Å²	33	47.6 Å²	47.6	13%	0.125	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-36.7	175.5	-177.9	84.1	0	0	0	112.3	I650 F652 N657 R660 G661 I662 Y668	I650-W664 HydrophobicContact CG2-CH2 4Å; I650-W664 HydrophobicContact CG2-CZ3 3.74Å; F652-W664 HydrophobicContact CB-CZ3 4.3Å; F652-W664 AromaticContact CD2-CE3 3.71Å; F652-W664 HydrophobicContact CD2-CE3 3.71Å; F652-W664 AromaticContact CD2-CZ3 3.72Å; F652-W664 HydrophobicContact CD2-CZ3 3.72Å; F652-W664 HydrophobicContact CE2-CE3 4.15Å; F652-W664 HydrophobicContact CG-CZ3 4.44Å; N657-W664 HydrophobicContact CB-CH2 3.68Å; N657-W664 HydrophobicContact CB-CZ2 4.38Å; N657-W664 HydrophobicContact CB-CZ3 3.77Å; R660-W664 HydrophobicContact CB-CB 3.68Å; R660-W664 HydrophobicContact CB-CD2 3.9Å; R660-W664 HydrophobicContact CB-CE3 4.42Å; R660-W664 HydrophobicContact CB-CG 3.55Å; R660-W664 VanDerWaalsContact CD-CE2 3.48Å; R660-W664 HydrophobicContact CG-CD2 4.45Å; R660-W664 HydrophobicContact CG-CG 4.34Å; G661-W664 PolarHBondContact O-N 2.92Å; I662-W664 VanDerWaalsContact C-N 3.34Å; I662-W664 PolarHBondContact O-N 3.42Å; W664-Y668 AromaticContact CD2-CE2 3.94Å; W664-Y668 HydrophobicContact CD2-CE2 3.94Å; W664-Y668 AromaticContact CE2-CE2 3.66Å; W664-Y668 AromaticContact CE3-CE2 3.94Å; W664-Y668 HydrophobicContact CE3-CE2 3.94Å; W664-Y668 AromaticContact CH2-CE2 3.49Å; W664-Y668 HydrophobicContact CH2-CE2 3.49Å; W664-Y668 VanDerWaalsContact CH2-CE2 3.49Å; W664-Y668 AromaticContact CH2-CZ 3.85Å; W664-Y668 AromaticContact CZ2-CE2 3.49Å; W664-Y668 HydrophobicContact CZ2-CE2 3.49Å; W664-Y668 VanDerWaalsContact CZ2-CE2 3.49Å; W664-Y668 AromaticContact CZ2-CZ 3.69Å; W664-Y668 WeakPolarHBondContact CZ2-OH 3.4Å; W664-Y668 HydrophobicContact CZ3-CD2 4.38Å; W664-Y668 AromaticContact CZ3-CE2 3.71Å; W664-Y668 HydrophobicContact CZ3-CE2 3.71Å; W664-Y668 VanDerWaalsContact O-CD2 3.25Å; W664-Y668 WeakPolarHBondContact O-CD2 3.45Å; W664-Y668 WeakPolarHBondContact O-CE2 3.33Å
665	Y	96.3	Very high	87.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70.1	-42.6	177	-174.6	-120.8	0	0	0	111.9	F611 P612 I650 F652 F653 G661 I662 D663 E667 Y668 F669 E682 L700 L701	F611-Y665 HydrophobicContact CD1-CD1 4.36Å; F611-Y665 HydrophobicContact CD1-CE1 4.49Å; F611-Y665 HydrophobicContact CE1-CD1 4.4Å; P612-Y665 HydrophobicContact CG-CE1 3.85Å; P612-Y665 WeakPolarHBondContact CG-OH 3.31Å; I650-Y665 HydrophobicContact CB-CE2 4.43Å; I650-Y665 HydrophobicContact CD1-CD2 4.31Å; I650-Y665 HydrophobicContact CD1-CE2 3.78Å; I650-Y665 HydrophobicContact CG2-CD2 3.86Å; I650-Y665 HydrophobicContact CG2-CE2 3.97Å; F652-Y665 HydrophobicContact CB-CD2 3.46Å; F652-Y665 VanDerWaalsContact CB-CD2 3.46Å; F652-Y665 HydrophobicContact CB-CE2 3.62Å; F652-Y665 HydrophobicContact CB-CG 4.39Å; F652-Y665 HydrophobicContact CD1-CD1 4.17Å; F652-Y665 AromaticContact CD1-CD2 3.57Å; F652-Y665 HydrophobicContact CD1-CD2 3.57Å; F652-Y665 HydrophobicContact CD1-CE1 4.49Å; F652-Y665 AromaticContact CD1-CE2 3.93Å; F652-Y665 HydrophobicContact CD1-CE2 3.93Å; F652-Y665 AromaticContact CD1-CG 3.68Å; F652-Y665 HydrophobicContact CD1-CG 3.68Å; F652-Y665 HydrophobicContact CD2-CD2 4.03Å; F652-Y665 HydrophobicContact CD2-CG 4.28Å; F652-Y665 HydrophobicContact CE1-CD1 4.27Å; F652-Y665 HydrophobicContact CE1-CD2 4.29Å; F652-Y665 AromaticContact CE1-CG 3.94Å; F652-Y665 HydrophobicContact CE1-CG 3.94Å; F652-Y665 HydrophobicContact CE2-CG 4.49Å; F652-Y665 AromaticContact CG-CD2 3.42Å; F652-Y665 HydrophobicContact CG-CD2 3.42Å; F652-Y665 VanDerWaalsContact CG-CD2 3.42Å; F652-Y665 AromaticContact CG-CE2 3.95Å; F652-Y665 HydrophobicContact CG-CE2 3.95Å; F652-Y665 AromaticContact CG-CG 3.87Å; F652-Y665 HydrophobicContact CG-CG 3.87Å; F652-Y665 HydrophobicContact CZ-CG 4.34Å; F653-Y665 HydrophobicContact CE2-CE1 4.42Å; F653-Y665 HydrophobicContact CE2-CE2 4.47Å; F653-Y665 AromaticContact CE2-CZ 3.92Å; F653-Y665 WeakPolarHBondContact CE2-OH 3.41Å; F653-Y665 HydrophobicContact CZ-CE1 4.15Å; G661-Y665 PolarHBondContact O-N 3.22Å; I662-Y665 WeakPolarHBondContact O-CB 3.37Å; I662-Y665 PolarHBondContact O-N 3.11Å; D663-Y665 VanDerWaalsContact C-N 3.27Å; D663-Y665 PolarHBondContact O-N 3.31Å; Y665-E667 VanDerWaalsContact C-N 3.28Å; Y665-E667 PolarHBondContact O-N 2.96Å; Y665-Y668 PolarHBondContact O-N 3.13Å; Y665-F669 HydrophobicContact CD1-CE2 4.33Å; Y665-F669 HydrophobicContact CD2-CE2 4.43Å; Y665-F669 AromaticContact CE1-CE2 3.99Å; Y665-F669 HydrophobicContact CE1-CE2 3.99Å; Y665-F669 HydrophobicContact CE2-CE2 4.12Å; Y665-F669 HydrophobicContact CE2-CZ 4.48Å; Y665-F669 AromaticContact CZ-CE2 3.9Å; Y665-F669 WeakPolarHBondContact O-CD2 3.39Å; Y665-E682 VanDerWaalsContact CE2-OE1 3.27Å; Y665-E682 WeakPolarHBondContact CE2-OE1 3.35Å; Y665-E682 PolarHBondContact OH-OE1 3.48Å; Y665-L700 HydrophobicContact CD1-CD2 4.13Å; Y665-L700 HydrophobicContact CE1-CD2 4.46Å; Y665-L701 HydrophobicContact CE1-CD1 4.26Å
666	M	93.5	Very high	86.2	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.02	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-30.4	178.9	-69.4	176.8	75.6	0	0	112.8	W602 K606 T607 R610 F611 I662 D663 Y668 F669	W602-M666 HydrophobicContact CH2-CE 3.66Å; W602-M666 HydrophobicContact CH2-SD 3.82Å; W602-M666 HydrophobicContact CZ2-CE 3.98Å; W602-M666 HydrophobicContact CZ2-SD 3.59Å; W602-M666 VanDerWaalsContact CZ2-SD 3.59Å; K606-M666 HydrophobicContact CB-CE 4.17Å; T607-M666 WeakPolarHBondContact O-CE 3.38Å; R610-M666 HydrophobicContact CB-CE 3.92Å; R610-M666 HydrophobicContact CG-CE 4.3Å; R610-M666 PolarHBondContact NE-O 3Å; R610-M666 PolarHBondContact NH2-O 2.74Å; R610-M666 VanDerWaalsContact NH2-O 3.15Å; F611-M666 HydrophobicContact CD1-CG 4.24Å; F611-M666 HydrophobicContact CE1-CG 3.68Å; F611-M666 HydrophobicContact CE1-SD 4.14Å; F611-M666 HydrophobicContact CZ-CG 4.19Å; F611-M666 HydrophobicContact CZ-SD 4.02Å; I662-M666 HydrophobicContact CG2-CG 4.16Å; I662-M666 HydrophobicContact CG2-SD 3.9Å; I662-M666 WeakPolarHBondContact O-CG 3.48Å; I662-M666 PolarHBondContact O-N 3.26Å; D663-M666 PolarHBondContact O-N 3.11Å; M666-Y668 PolarHBondContact O-N 2.99Å; M666-Y668 VanDerWaalsContact O-N 3.12Å; M666-F669 PolarHBondContact O-N 2.73Å
667	E	93.1	Very high	84.5	Confident	125 Å²	125	51.6 Å²	51.6	58%	0.584	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.2	177.5	-77.9	172.4	-171.4	0	0	113.7	D663 Y665 F669	D663-E667 WeakPolarHBondContact O-CG 3.36Å; D663-E667 PolarHBondContact O-N 2.73Å; D663-E667 VanDerWaalsContact O-N 3.08Å; Y665-E667 VanDerWaalsContact C-N 3.28Å; Y665-E667 PolarHBondContact O-N 2.96Å; E667-F669 VanDerWaalsContact C-N 3.28Å; E667-F669 PolarHBondContact O-N 3.47Å
668	Y	95.9	Very high	83.5	Confident	32 Å²	32	52.7 Å²	52.7	13%	0.125	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-13.3	177	-74.3	-83.6	0	0	0	114.3	N640 Y641 I650 W664 Y665 M666	N640-Y668 CarbonylContact C-O 3.57Å; N640-Y668 VanDerWaalsContact CA-O 3.32Å; N640-Y668 WeakPolarHBondContact CA-O 3.37Å; Y641-Y668 WeakPolarHBondContact CD2-O 3.35Å; Y641-Y668 PolarHBondContact N-O 3.4Å; Y641-Y668 WeakPolarHBondContact O-CD1 3.43Å; I650-Y668 HydrophobicContact CD1-CG 4.09Å; I650-Y668 HydrophobicContact CG1-CD1 4.25Å; I650-Y668 HydrophobicContact CG1-CG 4.14Å; I650-Y668 HydrophobicContact CG2-CD2 3.86Å; I650-Y668 HydrophobicContact CG2-CE2 4.01Å; I650-Y668 HydrophobicContact CG2-CG 4.18Å; W664-Y668 AromaticContact CD2-CE2 3.94Å; W664-Y668 HydrophobicContact CD2-CE2 3.94Å; W664-Y668 AromaticContact CE2-CE2 3.66Å; W664-Y668 AromaticContact CE3-CE2 3.94Å; W664-Y668 HydrophobicContact CE3-CE2 3.94Å; W664-Y668 AromaticContact CH2-CE2 3.49Å; W664-Y668 HydrophobicContact CH2-CE2 3.49Å; W664-Y668 VanDerWaalsContact CH2-CE2 3.49Å; W664-Y668 AromaticContact CH2-CZ 3.85Å; W664-Y668 AromaticContact CZ2-CE2 3.49Å; W664-Y668 HydrophobicContact CZ2-CE2 3.49Å; W664-Y668 VanDerWaalsContact CZ2-CE2 3.49Å; W664-Y668 AromaticContact CZ2-CZ 3.69Å; W664-Y668 WeakPolarHBondContact CZ2-OH 3.4Å; W664-Y668 HydrophobicContact CZ3-CD2 4.38Å; W664-Y668 AromaticContact CZ3-CE2 3.71Å; W664-Y668 HydrophobicContact CZ3-CE2 3.71Å; W664-Y668 VanDerWaalsContact O-CD2 3.25Å; W664-Y668 WeakPolarHBondContact O-CD2 3.45Å; W664-Y668 WeakPolarHBondContact O-CE2 3.33Å; Y665-Y668 PolarHBondContact O-N 3.13Å; M666-Y668 PolarHBondContact O-N 2.99Å; M666-Y668 VanDerWaalsContact O-N 3.12Å
669	F	94.1	Very high	83.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-106.1	141	-179.8	-59.6	-79.2	0	0	0	110.1	R610 P612 N640 I650 Y665 M666 E667 Y680 E682	R610-F669 HydrophobicContact CG-CB 3.88Å; R610-F669 VanDerWaalsContact CZ-O 3.28Å; R610-F669 PolarHBondContact NE-O 2.83Å; R610-F669 PolarHBondContact NH2-O 3.33Å; R610-F669 VanDerWaalsContact O-CB 3.27Å; R610-F669 WeakPolarHBondContact O-CB 3.28Å; R610-F669 WeakPolarHBondContact O-CG 3.39Å; P612-F669 HydrophobicContact CB-CE1 3.76Å; P612-F669 HydrophobicContact CB-CZ 3.72Å; P612-F669 HydrophobicContact CG-CE1 4.04Å; P612-F669 HydrophobicContact CG-CE2 3.91Å; P612-F669 HydrophobicContact CG-CZ 3.46Å; P612-F669 VanDerWaalsContact CG-CZ 3.46Å; N640-F669 HydrophobicContact CB-CD1 4.31Å; N640-F669 HydrophobicContact CB-CE1 3.88Å; N640-F669 HydrophobicContact CB-CZ 4.26Å; I650-F669 HydrophobicContact CD1-CE1 4.46Å; I650-F669 HydrophobicContact CD1-CE2 3.87Å; I650-F669 HydrophobicContact CD1-CZ 3.59Å; Y665-F669 HydrophobicContact CD1-CE2 4.33Å; Y665-F669 HydrophobicContact CD2-CE2 4.43Å; Y665-F669 AromaticContact CE1-CE2 3.99Å; Y665-F669 HydrophobicContact CE1-CE2 3.99Å; Y665-F669 HydrophobicContact CE2-CE2 4.12Å; Y665-F669 HydrophobicContact CE2-CZ 4.48Å; Y665-F669 AromaticContact CZ-CE2 3.9Å; Y665-F669 WeakPolarHBondContact O-CD2 3.39Å; M666-F669 PolarHBondContact O-N 2.73Å; E667-F669 VanDerWaalsContact C-N 3.28Å; E667-F669 PolarHBondContact O-N 3.47Å; F669-Y680 HydrophobicContact CB-CD2 4.39Å; F669-Y680 HydrophobicContact CD1-CD1 4.49Å; F669-Y680 HydrophobicContact CD1-CG 4.03Å; F669-E682 HydrophobicContact CE1-CB 4.41Å; F669-E682 HydrophobicContact CZ-CB 4.09Å; F669-E682 HydrophobicContact CZ-CG 4.49Å
670	P	87.9	Confident	83.3	Confident	21 Å²	21	51.4 Å²	51.4	14%	0.136	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-56.2	154.2	173.3	-22.1	32.2	0	0	0	111.8	T638 Y641 Y680	T638-P670 HydrophobicContact CG2-CG 3.97Å; Y641-P670 HydrophobicContact CE1-CG 4.43Å; Y641-P670 HydrophobicContact CE2-CB 4.42Å; Y641-P670 HydrophobicContact CE2-CG 4.08Å; P670-Y680 HydrophobicContact CB-CE1 4.34Å; P670-Y680 HydrophobicContact CG-CE1 4.07Å; P670-Y680 PolarHBondContact O-OH 3.47Å
671	L	83.9	Confident	83.4	Confident	117 Å²	117	46.7 Å²	46.7	61%	0.613	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-64.5	129.4	165.7	-70.9	172.3	0	0	0	108	S673	L671-S673 PolarHBondContact O-N 2.93Å
672	P	75.1	Confident	83.6	Confident	34 Å²	34	46.7 Å²	46.7	22%	0.221	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-54.1	132.8	177.1	-24.1	33.3	0	0	0	110.6	T607 D609 R610 D678 Y680	T607-P672 HydrophobicContact CG2-CG 3.66Å; D609-P672 HydrophobicContact CB-CB 4.06Å; D609-P672 HydrophobicContact CB-CG 3.68Å; R610-P672 HydrophobicContact CB-CG 4.23Å; P672-D678 WeakPolarHBondContact CA-OD2 3.2Å; P672-Y680 WeakPolarHBondContact CA-OH 3.39Å; P672-Y680 HydrophobicContact CG-CE2 4.33Å
673	S	65.6	Low	83.7	Confident	55 Å²	55	46.4 Å²	46.4	39%	0.385	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-69.5	160.2	168.8	66.5	0	0	0	0	109.4	L671 T675 D678	L671-S673 PolarHBondContact O-N 2.93Å; S673-T675 PolarHBondContact O-N 2.84Å; S673-T675 PolarHBondContact OG-N 2.66Å; S673-T675 PolarHBondContact OG-OG1 3.25Å; S673-D678 PolarHBondContact N-OD2 2.86Å; S673-D678 PolarHBondContact OG-OD2 2.75Å
674	N	60.4	Low	84.1	Confident	182 Å²	182	45.2 Å²	45.2	97%	0.973	26%	0.255	S	S	*	.	S	Bend	trans	-65.7	5.3	171.5	-76.5	-18.9	0	0	0	113.2
675	T	56	Low	84.2	Confident	84 Å²	84	43.7 Å²	43.7	52%	0.515	25%	0.25	S	C	.	.	S	Bend	trans	-95.3	130.9	176.1	67.9	0	0	0	0	109.9	S673 S677	S673-T675 PolarHBondContact O-N 2.84Å; S673-T675 PolarHBondContact OG-N 2.66Å; S673-T675 PolarHBondContact OG-OG1 3.25Å; T675-S677 PolarHBondContact O-N 3.42Å; T675-S677 PolarHBondContact OG1-OG 3.24Å
676	S	55.9	Low	84.2	Confident	134 Å²	134	44.9 Å²	44.9	94%	0.937	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	17.3	-169.8	79.8	0	0	0	0	115
677	S	59.2	Low	84.4	Confident	58 Å²	58	44.8 Å²	44.8	41%	0.406	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-3.9	-170.1	46.1	0	0	0	0	114.6	T675 Y679	T675-S677 PolarHBondContact O-N 3.42Å; T675-S677 PolarHBondContact OG1-OG 3.24Å; S677-Y679 PolarHBondContact O-N 3.39Å
678	D	74.8	Confident	84.7	Confident	28 Å²	28	38.8 Å²	38.8	15%	0.15	23%	0.228	C	C	.	.			trans	-70.1	108.7	-172.4	-64.8	-21.1	0	0	0	111.5	K613 P672 S673 Y680	K613-D678 PolarHBondContact NZ-O 3.18Å; P672-D678 WeakPolarHBondContact CA-OD2 3.2Å; S673-D678 PolarHBondContact N-OD2 2.86Å; S673-D678 PolarHBondContact OG-OD2 2.75Å; D678-Y680 HydrophobicContact CB-CE1 4.26Å; D678-Y680 HydrophobicContact CB-CE2 4.24Å
679	Y	91.2	Very high	84.7	Confident	36 Å²	36	38.4 Å²	38.4	14%	0.141	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	96	175.2	-161.9	-68.7	0	0	0	109.5	K613 L614 D636 L637 T638 S677 L803 L805	K613-Y679 HydrophobicContact CB-CD1 3.99Å; K613-Y679 HydrophobicContact CB-CD2 4.27Å; K613-Y679 HydrophobicContact CB-CE1 3.56Å; K613-Y679 HydrophobicContact CB-CE2 3.88Å; K613-Y679 HydrophobicContact CB-CG 4.31Å; K613-Y679 VanDerWaalsContact CB-CZ 3.49Å; K613-Y679 HydrophobicContact CD-CD2 3.79Å; K613-Y679 HydrophobicContact CD-CE2 3.99Å; K613-Y679 HydrophobicContact CD-CG 4.11Å; L614-Y679 HydrophobicContact CB-CE1 3.77Å; D636-Y679 VanDerWaalsContact O-CB 3.22Å; D636-Y679 WeakPolarHBondContact O-CB 3.48Å; D636-Y679 PolarHBondContact O-N 2.93Å; L637-Y679 WeakPolarHBondContact CA-O 3.41Å; L637-Y679 HydrophobicContact CD2-CD1 3.49Å; L637-Y679 VanDerWaalsContact CD2-CD1 3.49Å; L637-Y679 HydrophobicContact CD2-CE1 4.2Å; L637-Y679 HydrophobicContact CD2-CG 3.92Å; T638-Y679 PolarHBondContact N-O 2.77Å; S677-Y679 PolarHBondContact O-N 3.39Å; Y679-L803 HydrophobicContact CE1-CD2 4.39Å; Y679-L805 HydrophobicContact CD2-CD2 4.45Å
680	Y	95.8	Very high	84.9	Confident	3 Å²	3	39.2 Å²	39.2	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	145.1	-178.4	-61.6	-48.4	0	0	0	112.7	D609 P612 K613 L614 T638 F669 P670 P672 D678	D609-Y680 WeakPolarHBondContact O-CD2 3.41Å; D609-Y680 WeakPolarHBondContact O-CE2 3.44Å; P612-Y680 CarbonylContact C-O 3.45Å; P612-Y680 WeakPolarHBondContact CA-O 3.06Å; K613-Y680 PolarHBondContact N-O 2.92Å; L614-Y680 PolarHBondContact N-O 3.48Å; T638-Y680 HydrophobicContact CG2-CD1 3.9Å; T638-Y680 HydrophobicContact CG2-CE1 3.77Å; T638-Y680 VanDerWaalsContact O-CA 3.3Å; T638-Y680 WeakPolarHBondContact O-CA 3.48Å; F669-Y680 HydrophobicContact CB-CD2 4.39Å; F669-Y680 HydrophobicContact CD1-CD1 4.49Å; F669-Y680 HydrophobicContact CD1-CG 4.03Å; P670-Y680 HydrophobicContact CB-CE1 4.34Å; P670-Y680 HydrophobicContact CG-CE1 4.07Å; P670-Y680 PolarHBondContact O-OH 3.47Å; P672-Y680 WeakPolarHBondContact CA-OH 3.39Å; P672-Y680 HydrophobicContact CG-CE2 4.33Å; D678-Y680 HydrophobicContact CB-CE1 4.26Å; D678-Y680 HydrophobicContact CB-CE2 4.24Å
681	F	97.6	Very high	85.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153.7	171.8	73.6	-82.6	0	0	0	111.8	L614 Y628 L631 L637 T638 N640	L614-F681 HydrophobicContact CB-CB 3.73Å; L614-F681 HydrophobicContact CD2-CB 3.84Å; L614-F681 HydrophobicContact CD2-CG 4.35Å; L614-F681 HydrophobicContact CG-CB 3.86Å; L614-F681 VanDerWaalsContact O-CA 3.25Å; L614-F681 WeakPolarHBondContact O-CA 3.46Å; L614-F681 WeakPolarHBondContact O-CB 3.47Å; Y628-F681 HydrophobicContact CD2-CD2 4.32Å; Y628-F681 AromaticContact CD2-CE2 3.55Å; Y628-F681 HydrophobicContact CD2-CE2 3.55Å; Y628-F681 HydrophobicContact CD2-CZ 4.33Å; Y628-F681 AromaticContact CE2-CE2 3.96Å; Y628-F681 HydrophobicContact CE2-CE2 3.96Å; Y628-F681 HydrophobicContact CG-CE2 4.28Å; L631-F681 HydrophobicContact CB-CE1 4.01Å; L631-F681 HydrophobicContact CB-CE2 3.78Å; L631-F681 HydrophobicContact CB-CZ 3.49Å; L631-F681 VanDerWaalsContact CB-CZ 3.49Å; L631-F681 HydrophobicContact CD1-CD2 4.14Å; L631-F681 HydrophobicContact CD1-CE2 3.99Å; L637-F681 HydrophobicContact CB-CD1 4.11Å; L637-F681 HydrophobicContact CB-CE1 3.93Å; T638-F681 WeakPolarHBondContact O-CD1 3.32Å; T638-F681 PolarHBondContact O-N 3.17Å; T638-F681 VanDerWaalsContact O-N 3.08Å; N640-F681 PolarHBondContact N-O 3.35Å
682	E	98	Very high	85.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	163.3	167.3	69.5	139.7	140.1	0	0	111.5	L614 L615 V616 I650 Y665 F669 S684 Y687	L614-E682 PolarHBondContact O-N 3.19Å; L614-E682 VanDerWaalsContact O-N 3.14Å; L615-E682 HydrophobicContact CD2-CG 3.46Å; L615-E682 VanDerWaalsContact CD2-CG 3.46Å; V616-E682 PolarHBondContact N-O 2.92Å; I650-E682 HydrophobicContact CD1-CB 3.74Å; I650-E682 HydrophobicContact CD1-CG 4.26Å; I650-E682 HydrophobicContact CG1-CB 4.32Å; Y665-E682 VanDerWaalsContact CE2-OE1 3.27Å; Y665-E682 WeakPolarHBondContact CE2-OE1 3.35Å; Y665-E682 PolarHBondContact OH-OE1 3.48Å; F669-E682 HydrophobicContact CE1-CB 4.41Å; F669-E682 HydrophobicContact CZ-CB 4.09Å; F669-E682 HydrophobicContact CZ-CG 4.49Å; E682-S684 PolarHBondContact OE2-OG 3.1Å; E682-Y687 VanDerWaalsContact OE1-CE2 3.27Å; E682-Y687 WeakPolarHBondContact OE1-CE2 3.5Å; E682-Y687 PolarHBondContact OE1-OH 3.3Å; E682-Y687 PolarHBondContact OE2-OH 3.05Å; E682-Y687 VanDerWaalsContact OE2-OH 3.14Å
683	K	98	Very high	87	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.013	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.4	173.9	172.8	-82.7	-155.2	168.2	0	108.7	V616 T624 T625 Y628 E648 E649	V616-K683 HydrophobicContact CB-CB 3.88Å; V616-K683 HydrophobicContact CB-CG 3.98Å; V616-K683 HydrophobicContact CG1-CB 4.39Å; V616-K683 HydrophobicContact CG1-CG 3.93Å; V616-K683 WeakPolarHBondContact O-CA 3.4Å; T624-K683 WeakPolarHBondContact OG1-CE 3.33Å; T625-K683 PolarHBondContact OG1-NZ 2.78Å; Y628-K683 HydrophobicContact CD2-CB 3.7Å; Y628-K683 HydrophobicContact CG-CB 4.35Å; E648-K683 HydrophobicContact CG-CD 4.45Å; E648-K683 IonicContact OE1-NZ 3.41Å; E648-K683 PolarHBondContact OE1-NZ 3.47Å; E649-K683 VanDerWaalsContact CA-O 3.25Å; E649-K683 WeakPolarHBondContact CA-O 3.31Å; E649-K683 WeakPolarHBondContact CB-O 3.38Å; E649-K683 HydrophobicContact CG-CD 3.88Å; E649-K683 WeakPolarHBondContact CG-O 3.48Å; E649-K683 WeakPolarHBondContact OE1-CE 3.47Å; E649-K683 IonicContact OE1-NZ 3.97Å; E649-K683 PolarHBondContact OE1-NZ 3.47Å
684	S	98.5	Very high	88.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.			trans	-143.5	102.2	173.8	-69	0	0	0	0	108.6	V616 I617 I650 Q651 E682 N686 Y687	V616-S684 PolarHBondContact O-N 2.76Å; I617-S684 CarbonylContact C-O 3.05Å; I650-S684 PolarHBondContact N-OG 3.38Å; Q651-S684 PolarHBondContact N-OG 2.78Å; E682-S684 PolarHBondContact OE2-OG 3.1Å; S684-N686 PolarHBondContact O-N 3.16Å; S684-N686 VanDerWaalsContact O-N 3.13Å; S684-Y687 VanDerWaalsContact CB-CE1 3.42Å; S684-Y687 VanDerWaalsContact CB-CE2 3.48Å; S684-Y687 WeakPolarHBondContact O-CB 3.4Å; S684-Y687 PolarHBondContact O-N 3.5Å; S684-Y687 VanDerWaalsContact O-N 3.09Å; S684-Y687 PolarHBondContact OG-OH 3.24Å
685	A	97.7	Very high	90.3	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-11	-167.6	0	0	0	0	0	114.4	I617 Q620 T624 E649 Y687	I617-A685 CarbonylContact O-C 3.52Å; Q620-A685 HydrophobicContact CB-CB 4.4Å; Q620-A685 HydrophobicContact CG-CB 3.77Å; T624-A685 HydrophobicContact CG2-CB 4.34Å; E649-A685 PolarHBondContact OE1-N 2.87Å; A685-Y687 VanDerWaalsContact C-N 3.3Å
686	N	96	Very high	92.3	Very high	25 Å²	25	30.4 Å²	30.4	13%	0.134	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.9	174	-67.4	-25.8	0	0	0	113.1	Q620 Q651 N654 S684 S690	Q620-N686 PolarHBondContact NE2-OD1 3.1Å; Q651-N686 PolarHBondContact NE2-ND2 3.27Å; N654-N686 HydrophobicContact CB-CB 4.39Å; S684-N686 PolarHBondContact O-N 3.16Å; S684-N686 VanDerWaalsContact O-N 3.13Å; N686-S690 WeakPolarHBondContact O-CB 3.49Å
687	Y	98.7	Very high	94.4	Very high	1 Å²	1	24 Å²	24	0%	0.004	13%	0.125	C	C	.	.	S	Bend	trans	-74.5	-37	177.5	-70.9	-4.1	0	0	0	111.4	I617 F652 F653 N654 E682 S684 A685 D689 S690 A693 W771	I617-Y687 HydrophobicContact CG2-CD2 4.27Å; I617-Y687 PolarHBondContact O-N 3.45Å; F652-Y687 PolarHBondContact N-OH 2.71Å; F653-Y687 HydrophobicContact CB-CD1 4.31Å; F653-Y687 HydrophobicContact CB-CE1 3.92Å; F653-Y687 HydrophobicContact CD2-CD2 4.33Å; F653-Y687 HydrophobicContact CD2-CE1 4.31Å; F653-Y687 AromaticContact CD2-CE2 3.6Å; F653-Y687 HydrophobicContact CD2-CE2 3.6Å; F653-Y687 AromaticContact CD2-CZ 3.59Å; F653-Y687 HydrophobicContact CE2-CE2 4.37Å; F653-Y687 PolarHBondContact N-OH 3.45Å; N654-Y687 HydrophobicContact CB-CD1 3.95Å; N654-Y687 HydrophobicContact CB-CE1 4.32Å; N654-Y687 WeakPolarHBondContact OD1-CE1 3.32Å; E682-Y687 VanDerWaalsContact OE1-CE2 3.27Å; E682-Y687 WeakPolarHBondContact OE1-CE2 3.5Å; E682-Y687 PolarHBondContact OE1-OH 3.3Å; E682-Y687 PolarHBondContact OE2-OH 3.05Å; E682-Y687 VanDerWaalsContact OE2-OH 3.14Å; S684-Y687 VanDerWaalsContact CB-CE1 3.42Å; S684-Y687 VanDerWaalsContact CB-CE2 3.48Å; S684-Y687 WeakPolarHBondContact O-CB 3.4Å; S684-Y687 PolarHBondContact O-N 3.5Å; S684-Y687 VanDerWaalsContact O-N 3.09Å; S684-Y687 PolarHBondContact OG-OH 3.24Å; A685-Y687 VanDerWaalsContact C-N 3.3Å; Y687-D689 PolarHBondContact O-N 2.9Å; Y687-S690 PolarHBondContact O-N 3.48Å; Y687-A693 HydrophobicContact CD1-CB 4.37Å; Y687-A693 HydrophobicContact CG-CB 4.43Å; Y687-W771 WeakPolarHBondContact O-CZ2 3.34Å
688	F	98.6	Very high	96.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-56.7	-50.9	-174.4	-178.2	-99	0	0	0	113.1	I617 P619 T708 L710 Y764 H767 L768 W771	I617-F688 HydrophobicContact CD1-CB 4.49Å; I617-F688 HydrophobicContact CD1-CD2 3.83Å; I617-F688 HydrophobicContact CG1-CB 4.43Å; I617-F688 HydrophobicContact CG1-CD2 4.24Å; I617-F688 VanDerWaalsContact O-CB 3.3Å; I617-F688 WeakPolarHBondContact O-CB 3.44Å; I617-F688 PolarHBondContact O-N 3Å; P619-F688 HydrophobicContact CB-CB 4.27Å; P619-F688 HydrophobicContact CB-CD1 3.61Å; P619-F688 HydrophobicContact CB-CE1 4.18Å; P619-F688 HydrophobicContact CB-CG 4.07Å; P619-F688 HydrophobicContact CG-CD1 3.82Å; P619-F688 HydrophobicContact CG-CE1 3.93Å; P619-F688 HydrophobicContact CG-CG 4.25Å; P619-F688 HydrophobicContact CG-CZ 4.48Å; F688-T708 VanDerWaalsContact CD2-OG1 3.29Å; F688-T708 WeakPolarHBondContact CD2-OG1 3.34Å; F688-T708 HydrophobicContact CE2-CG2 4.38Å; F688-T708 WeakPolarHBondContact CE2-OG1 3.47Å; F688-L710 HydrophobicContact CE2-CD2 4.4Å; F688-L710 HydrophobicContact CZ-CD2 4.14Å; F688-Y764 AromaticContact CE1-CD1 3.83Å; F688-Y764 HydrophobicContact CE1-CD1 3.83Å; F688-Y764 AromaticContact CZ-CD1 3.98Å; F688-Y764 HydrophobicContact CZ-CD1 3.98Å; F688-H767 HydrophobicContact CD1-CB 3.84Å; F688-H767 HydrophobicContact CE1-CB 3.41Å; F688-H767 VanDerWaalsContact CE1-CB 3.41Å; F688-H767 AromaticContact CE1-CD2 3.64Å; F688-H767 AromaticContact CE1-CG 3.77Å; F688-H767 HydrophobicContact CE2-CB 4.19Å; F688-H767 HydrophobicContact CG-CB 4.42Å; F688-H767 HydrophobicContact CZ-CB 3.6Å; F688-L768 HydrophobicContact CE2-CD2 4.19Å; F688-L768 HydrophobicContact CE2-CG 4.04Å; F688-L768 HydrophobicContact CZ-CG 4.36Å; F688-W771 PolarHBondContact O-NE1 3.2Å
689	D	96.1	Very high	97.3	Very high	23 Å²	23	21.3 Å²	21.3	12%	0.123	11%	0.11	C	C	.	.	S	Bend	trans	-90.8	-5.5	-176.5	62.9	-36.1	0	0	0	114	Y687 R757 P761 R770	Y687-D689 PolarHBondContact O-N 2.9Å; D689-R757 IonicContact OD2-NH1 2.69Å; D689-P761 HydrophobicContact CB-CB 3.92Å; D689-P761 HydrophobicContact CB-CG 4.37Å; D689-P761 WeakPolarHBondContact OD2-CG 3.36Å; D689-R770 PolarHBondContact O-NH1 3.45Å
690	S	97.6	Very high	97.6	Very high	17 Å²	17	19.6 Å²	19.6	12%	0.119	10%	0.104	C	C	.	.			trans	-66.8	136.3	177.9	178.7	0	0	0	0	112.2	N686 Y687 V692 A693 R770	N686-S690 WeakPolarHBondContact O-CB 3.49Å; Y687-S690 PolarHBondContact O-N 3.48Å; S690-V692 VanDerWaalsContact C-N 3.3Å; S690-V692 PolarHBondContact O-N 2.94Å; S690-V692 PolarHBondContact OG-N 2.88Å; S690-A693 PolarHBondContact OG-N 3.08Å; S690-R770 PolarHBondContact O-NH1 3.23Å
691	E	95.9	Very high	97.7	Very high	134 Å²	134	19.9 Å²	19.9	63%	0.626	11%	0.105	S	C	*	.	S	Bend	trans	-72.7	-21.1	177.2	-61.2	-56.4	149.9	0	0	113.4	R770	E691-R770 VanDerWaalsContact CD-CZ 3.46Å; E691-R770 IonicContact OE1-CZ 3.57Å; E691-R770 IonicContact OE1-NH1 3.85Å; E691-R770 PolarHBondContact OE1-NH1 3.48Å; E691-R770 IonicContact OE1-NH2 3.96Å; E691-R770 PolarHBondContact OE1-NH2 3.08Å; E691-R770 WeakPolarHBondContact OE2-CD 3.41Å; E691-R770 IonicContact OE2-CZ 3.54Å; E691-R770 VanDerWaalsContact OE2-CZ 3.24Å; E691-R770 IonicContact OE2-NE 3.67Å; E691-R770 PolarHBondContact OE2-NE 3.23Å; E691-R770 IonicContact OE2-NH1 3.19Å; E691-R770 IonicContact OE2-NH2 3.39Å; E691-R770 PolarHBondContact OE2-NH2 3.28Å
692	V	96.8	Very high	97.6	Very high	52 Å²	52	22 Å²	22	32%	0.315	12%	0.119	S	C	.	.	S	Bend	trans	-114.1	-16.7	-172.9	-62.6	0	0	0	0	113.8	S690 A694 Q695 R696	S690-V692 VanDerWaalsContact C-N 3.3Å; S690-V692 PolarHBondContact O-N 2.94Å; S690-V692 PolarHBondContact OG-N 2.88Å; V692-A694 PolarHBondContact O-N 3.47Å; V692-Q695 PolarHBondContact O-N 2.88Å; V692-R696 WeakPolarHBondContact O-CB 3.28Å; V692-R696 VanDerWaalsContact O-CG 3.32Å; V692-R696 WeakPolarHBondContact O-CG 3.25Å; V692-R696 PolarHBondContact O-N 2.89Å; V692-R696 VanDerWaalsContact O-N 3.1Å
693	A	98.4	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-41.6	-171.3	0	0	0	0	0	112.9	F653 Y687 S690 Q695 R696 A697 W771	F653-A693 HydrophobicContact CB-CB 3.95Å; Y687-A693 HydrophobicContact CD1-CB 4.37Å; Y687-A693 HydrophobicContact CG-CB 4.43Å; S690-A693 PolarHBondContact OG-N 3.08Å; A693-Q695 PolarHBondContact O-N 3.16Å; A693-R696 PolarHBondContact O-N 3.01Å; A693-A697 WeakPolarHBondContact O-CB 3.44Å; A693-A697 PolarHBondContact O-N 3.34Å; A693-W771 HydrophobicContact CB-CZ2 4.2Å
694	A	98.4	Very high	97.6	Very high	5 Å²	5	28.7 Å²	28.7	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-47.5	-179.3	0	0	0	0	0	112.1	V692 A698 W771	V692-A694 PolarHBondContact O-N 3.47Å; A694-A698 VanDerWaalsContact O-CB 3.32Å; A694-A698 WeakPolarHBondContact O-CB 3.35Å; A694-A698 PolarHBondContact O-N 3.29Å; A694-W771 HydrophobicContact CB-CD2 3.8Å; A694-W771 HydrophobicContact CB-CE3 4.1Å; A694-W771 HydrophobicContact CB-CG 4.08Å; A694-W771 HydrophobicContact CB-CZ2 4.34Å; A694-W771 HydrophobicContact CB-CZ3 4.49Å
695	Q	97.6	Very high	97.6	Very high	97 Å²	97	31.1 Å²	31.1	45%	0.453	16%	0.159	S	C	.	.	H	α-helix	trans	-62.9	-46.9	177.7	-174.2	-175.2	18.3	0	0	111.6	L588 V692 A693 A698 A699	L588-Q695 HydrophobicContact CD1-CG 4.19Å; V692-Q695 PolarHBondContact O-N 2.88Å; A693-Q695 PolarHBondContact O-N 3.16Å; Q695-A698 PolarHBondContact O-N 2.9Å; Q695-A699 WeakPolarHBondContact O-CB 3.25Å; Q695-A699 PolarHBondContact O-N 3.44Å
696	R	98.2	Very high	97.6	Very high	21 Å²	21	31 Å²	31	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-66.5	-39.5	-179	-71.6	173.2	168.6	-174.8	-6.3	112.5	L588 F653 G655 Y658 V692 A693 L700	L588-R696 HydrophobicContact CD1-CG 4.09Å; F653-R696 HydrophobicContact CB-CB 4.4Å; F653-R696 HydrophobicContact CD1-CB 3.81Å; F653-R696 VanDerWaalsContact O-CD 3.28Å; F653-R696 WeakPolarHBondContact O-CD 3.32Å; F653-R696 PolarHBondContact O-NH1 2.98Å; G655-R696 PolarHBondContact O-NH1 3.44Å; Y658-R696 HydrophobicContact CD1-CG 4.46Å; Y658-R696 HydrophobicContact CD2-CB 4.32Å; Y658-R696 HydrophobicContact CD2-CG 4.42Å; Y658-R696 HydrophobicContact CE1-CG 3.95Å; Y658-R696 HydrophobicContact CE2-CB 3.66Å; Y658-R696 HydrophobicContact CE2-CG 3.91Å; V692-R696 WeakPolarHBondContact O-CB 3.28Å; V692-R696 VanDerWaalsContact O-CG 3.32Å; V692-R696 WeakPolarHBondContact O-CG 3.25Å; V692-R696 PolarHBondContact O-N 2.89Å; V692-R696 VanDerWaalsContact O-N 3.1Å; A693-R696 PolarHBondContact O-N 3.01Å; R696-L700 PolarHBondContact O-N 2.9Å
697	A	98.6	Very high	97.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.8	-44.8	176.1	0	0	0	0	0	110.9	L615 F653 A693 A699 L700 L701 W771 Y775	L615-A697 HydrophobicContact CD1-CB 3.89Å; F653-A697 HydrophobicContact CD1-CB 4.27Å; F653-A697 HydrophobicContact CD2-CB 4.01Å; F653-A697 HydrophobicContact CE1-CB 4.34Å; F653-A697 HydrophobicContact CE2-CB 4.11Å; F653-A697 HydrophobicContact CG-CB 4.11Å; F653-A697 HydrophobicContact CZ-CB 4.27Å; A693-A697 WeakPolarHBondContact O-CB 3.44Å; A693-A697 PolarHBondContact O-N 3.34Å; A697-A699 VanDerWaalsContact C-N 3.33Å; A697-A699 PolarHBondContact O-N 3.41Å; A697-L700 PolarHBondContact O-N 2.85Å; A697-L701 CarbonylContact O-C 3.37Å; A697-L701 VanDerWaalsContact O-CA 3.31Å; A697-L701 WeakPolarHBondContact O-CA 3.32Å; A697-L701 WeakPolarHBondContact O-CB 3.35Å; A697-L701 PolarHBondContact O-N 3.47Å; A697-W771 HydrophobicContact CB-CH2 4.18Å; A697-W771 HydrophobicContact CB-CZ3 4.21Å; A697-Y775 HydrophobicContact CB-CE2 4.39Å; A697-Y775 PolarHBondContact O-OH 2.87Å
698	A	98.2	Very high	97.7	Very high	16 Å²	16	29.8 Å²	29.8	13%	0.132	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-33.1	179.4	0	0	0	0	0	113.3	A694 Q695 P702 H774 Y775	A694-A698 VanDerWaalsContact O-CB 3.32Å; A694-A698 WeakPolarHBondContact O-CB 3.35Å; A694-A698 PolarHBondContact O-N 3.29Å; Q695-A698 PolarHBondContact O-N 2.9Å; A698-P702 VanDerWaalsContact O-CA 3.29Å; A698-P702 WeakPolarHBondContact O-CA 3.39Å; A698-P702 WeakPolarHBondContact O-CB 3.24Å; A698-H774 HydrophobicContact CB-CB 3.69Å; A698-Y775 WeakPolarHBondContact CA-OH 3.4Å; A698-Y775 HydrophobicContact CB-CD2 4.29Å; A698-Y775 HydrophobicContact CB-CE2 3.72Å; A698-Y775 PolarHBondContact N-OH 3.24Å
699	A	96.9	Very high	97.7	Very high	13 Å²	13	29.8 Å²	29.8	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-45.2	174.9	0	0	0	0	0	112.1	L588 W589 Q590 D591 Q695 A697	L588-A699 HydrophobicContact CD1-CB 3.74Å; L588-A699 HydrophobicContact CD2-CB 4.2Å; L588-A699 HydrophobicContact CG-CB 3.72Å; W589-A699 CarbonylContact O-C 3.54Å; W589-A699 VanDerWaalsContact O-C 3.3Å; W589-A699 WeakPolarHBondContact O-CB 3.37Å; Q590-A699 CarbonylContact C-O 3.59Å; Q590-A699 VanDerWaalsContact CA-O 3.31Å; Q590-A699 WeakPolarHBondContact CA-O 3.33Å; D591-A699 PolarHBondContact N-O 3.23Å; Q695-A699 WeakPolarHBondContact O-CB 3.25Å; Q695-A699 PolarHBondContact O-N 3.44Å; A697-A699 VanDerWaalsContact C-N 3.33Å; A697-A699 PolarHBondContact O-N 3.41Å
700	L	97.4	Very high	97.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-86.6	-33.9	-177.2	-176.5	59.5	0	0	0	113.4	W589 D591 F611 F652 F653 I662 Y665 R696 A697 P702	W589-L700 HydrophobicContact CB-CD1 4.44Å; W589-L700 WeakPolarHBondContact O-CA 3.43Å; W589-L700 WeakPolarHBondContact O-CB 3.26Å; W589-L700 PolarHBondContact O-N 3.19Å; D591-L700 WeakPolarHBondContact CB-O 3.24Å; F611-L700 HydrophobicContact CE1-CD1 4.08Å; F611-L700 HydrophobicContact CE1-CD2 4.23Å; F611-L700 HydrophobicContact CE1-CG 4.28Å; F611-L700 HydrophobicContact CZ-CD1 3.87Å; F652-L700 HydrophobicContact CE1-CD2 3.87Å; F653-L700 HydrophobicContact CE1-CB 4.23Å; F653-L700 HydrophobicContact CE1-CD2 4.02Å; F653-L700 HydrophobicContact CZ-CD2 4.11Å; I662-L700 HydrophobicContact CD1-CD1 3.88Å; I662-L700 HydrophobicContact CG1-CD1 4.09Å; I662-L700 HydrophobicContact CG2-CD1 4.31Å; Y665-L700 HydrophobicContact CD1-CD2 4.13Å; Y665-L700 HydrophobicContact CE1-CD2 4.46Å; R696-L700 PolarHBondContact O-N 2.9Å; A697-L700 PolarHBondContact O-N 2.85Å; L700-P702 VanDerWaalsContact C-CD 3.45Å
701	L	97.6	Very high	97.9	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.042	15%	0.147	C	C	.	.			trans	-131	59.3	-171.1	-53.9	174.9	0	0	0	110.8	F611 P612 L615 F653 Y665 A697 K703 A704 Y775	F611-L701 HydrophobicContact CB-CD2 3.68Å; F611-L701 HydrophobicContact CD1-CD2 3.91Å; F611-L701 HydrophobicContact CG-CD2 3.83Å; P612-L701 HydrophobicContact CG-CD1 3.89Å; L615-L701 HydrophobicContact CD1-CD1 4.16Å; L615-L701 HydrophobicContact CD2-CD1 4.03Å; L615-L701 HydrophobicContact CG-CD1 4.4Å; F653-L701 HydrophobicContact CE2-CD1 3.94Å; F653-L701 HydrophobicContact CZ-CD1 3.71Å; F653-L701 HydrophobicContact CZ-CG 4.23Å; Y665-L701 HydrophobicContact CE1-CD1 4.26Å; A697-L701 CarbonylContact O-C 3.37Å; A697-L701 VanDerWaalsContact O-CA 3.31Å; A697-L701 WeakPolarHBondContact O-CA 3.32Å; A697-L701 WeakPolarHBondContact O-CB 3.35Å; A697-L701 PolarHBondContact O-N 3.47Å; L701-K703 PolarHBondContact O-N 3.09Å; L701-K703 VanDerWaalsContact O-N 3.14Å; L701-A704 HydrophobicContact CB-CB 3.92Å; L701-A704 WeakPolarHBondContact O-CB 3.24Å; L701-A704 PolarHBondContact O-N 3.32Å; L701-A704 VanDerWaalsContact O-N 3.13Å; L701-Y775 WeakPolarHBondContact O-CE1 3.25Å; L701-Y775 PolarHBondContact O-OH 3.13Å
702	P	97.1	Very high	97.9	Very high	44 Å²	44	23.8 Å²	23.8	29%	0.286	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28	-173.4	24	-34	0	0	0	112.9	D591 E594 A698 L700 Q779	D591-P702 HydrophobicContact CB-CG 4.35Å; E594-P702 HydrophobicContact CG-CG 4.4Å; A698-P702 VanDerWaalsContact O-CA 3.29Å; A698-P702 WeakPolarHBondContact O-CA 3.39Å; A698-P702 WeakPolarHBondContact O-CB 3.24Å; L700-P702 VanDerWaalsContact C-CD 3.45Å; P702-Q779 PolarHBondContact O-NE2 3.32Å
703	K	96.5	Very high	98	Very high	141 Å²	141	21.3 Å²	21.3	61%	0.613	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-0.5	-177.4	-65.5	171.4	-175.8	162.8	0	113.9	E594 L701	E594-K703 IonicContact OE1-NZ 3.33Å; E594-K703 PolarHBondContact OE1-NZ 2.88Å; E594-K703 WeakPolarHBondContact OE2-CE 3.45Å; E594-K703 IonicContact OE2-NZ 3.15Å; E594-K703 PolarHBondContact OE2-NZ 2.91Å; L701-K703 PolarHBondContact O-N 3.09Å; L701-K703 VanDerWaalsContact O-N 3.14Å
704	A	97.7	Very high	98	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.025	11%	0.109	C	C	.	.			trans	-62	146.2	-178.9	0	0	0	0	0	112	K613 L615 L701 I706 Y775 Q779	K613-A704 CarbonylContact O-C 3.53Å; K613-A704 WeakPolarHBondContact O-CA 3.41Å; L615-A704 HydrophobicContact CG-CB 4.48Å; L701-A704 HydrophobicContact CB-CB 3.92Å; L701-A704 WeakPolarHBondContact O-CB 3.24Å; L701-A704 PolarHBondContact O-N 3.32Å; L701-A704 VanDerWaalsContact O-N 3.13Å; A704-I706 HydrophobicContact CB-CD1 4.38Å; A704-Y775 HydrophobicContact CB-CE1 4.39Å; A704-Q779 PolarHBondContact O-NE2 3.23Å
705	K	98.6	Very high	97.9	Very high	51 Å²	51	25 Å²	25	22%	0.222	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	143.4	163.7	-67.2	-58.1	-162.3	176.1	0	109.2	K613 L614 L615 S778 Q779 F802 L803	K613-K705 PolarHBondContact O-N 3.15Å; L614-K705 CarbonylContact C-O 3.51Å; L614-K705 WeakPolarHBondContact CA-O 3.31Å; L614-K705 HydrophobicContact CD1-CB 4.24Å; L614-K705 WeakPolarHBondContact CD1-O 3.42Å; L615-K705 PolarHBondContact N-O 2.89Å; K705-S778 PolarHBondContact NZ-O 3.49Å; K705-Q779 CarbonylContact C-O 3.6Å; K705-Q779 HydrophobicContact CD-CB 4.48Å; K705-F802 HydrophobicContact CB-CE1 3.77Å; K705-F802 HydrophobicContact CB-CZ 4.03Å; K705-F802 HydrophobicContact CD-CE1 4.13Å; K705-F802 HydrophobicContact CD-CE2 4.15Å; K705-F802 HydrophobicContact CD-CZ 3.72Å; K705-F802 HydrophobicContact CG-CE1 4.16Å; K705-F802 HydrophobicContact CG-CZ 4.24Å; K705-L803 HydrophobicContact CB-CD2 4Å; K705-L803 HydrophobicContact CG-CD2 4.14Å
706	I	98.8	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.6	-176.6	-49.5	-59.4	0	0	0	108.9	L615 I617 A704 W771 Y775 Q779 L780 L781	L615-I706 HydrophobicContact CB-CD1 3.96Å; L615-I706 HydrophobicContact CD1-CD1 3.95Å; L615-I706 HydrophobicContact CG-CD1 4.22Å; L615-I706 WeakPolarHBondContact O-CA 3.39Å; I617-I706 HydrophobicContact CB-CG2 4.46Å; I617-I706 HydrophobicContact CD1-CG2 3.61Å; I617-I706 HydrophobicContact CG1-CG2 3.91Å; I617-I706 HydrophobicContact CG2-CG2 3.71Å; A704-I706 HydrophobicContact CB-CD1 4.38Å; I706-W771 HydrophobicContact CD1-CE3 4.27Å; I706-W771 HydrophobicContact CD1-CZ3 3.82Å; I706-W771 HydrophobicContact CG1-CE3 4.26Å; I706-W771 HydrophobicContact CG1-CZ3 4.32Å; I706-W771 HydrophobicContact CG2-CE3 3.96Å; I706-W771 HydrophobicContact CG2-CZ3 4.19Å; I706-Y775 HydrophobicContact CD1-CD1 4.37Å; I706-Y775 HydrophobicContact CD1-CD2 4.39Å; I706-Y775 HydrophobicContact CD1-CE1 4.02Å; I706-Y775 HydrophobicContact CD1-CE2 4.02Å; I706-Y775 HydrophobicContact CG1-CD1 4Å; I706-Y775 HydrophobicContact CG1-CD2 4.15Å; I706-Y775 HydrophobicContact CG1-CE1 4.17Å; I706-Y775 HydrophobicContact CG1-CE2 4.29Å; I706-Y775 HydrophobicContact CG1-CG 3.99Å; I706-Q779 PolarHBondContact N-O 3Å; I706-L780 HydrophobicContact CB-CD2 3.67Å; I706-L780 HydrophobicContact CB-CG 3.93Å; I706-L780 HydrophobicContact CG1-CD2 4.43Å; I706-L780 HydrophobicContact CG1-CG 4.42Å; I706-L780 HydrophobicContact CG2-CD2 3.49Å; I706-L780 VanDerWaalsContact CG2-CD2 3.49Å; I706-L780 HydrophobicContact CG2-CG 4.32Å; I706-L780 CarbonylContact O-C 3.47Å; I706-L780 WeakPolarHBondContact O-CA 3.38Å; I706-L781 PolarHBondContact O-N 2.96Å
707	I	98.8	Very high	97.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.7	174.4	-67.3	177.9	0	0	0	109.6	L614 L615 V616 I617 L627 L781 L783 I799 F802	L614-I707 HydrophobicContact CD1-CB 4.14Å; L614-I707 HydrophobicContact CD1-CD1 3.58Å; L614-I707 HydrophobicContact CD1-CG1 3.59Å; L614-I707 HydrophobicContact CD2-CD1 4.08Å; L614-I707 HydrophobicContact CG-CD1 4.49Å; L615-I707 PolarHBondContact O-N 3.32Å; V616-I707 WeakPolarHBondContact CA-O 3.19Å; V616-I707 HydrophobicContact CG2-CB 4.38Å; I617-I707 WeakPolarHBondContact CG1-O 3.35Å; I617-I707 PolarHBondContact N-O 3.02Å; L627-I707 HydrophobicContact CD2-CG2 3.84Å; I707-L781 WeakPolarHBondContact CA-O 3.32Å; I707-L781 HydrophobicContact CD1-CD2 4.47Å; I707-L781 HydrophobicContact CG1-CB 4.24Å; I707-L781 HydrophobicContact CG1-CD2 4.42Å; I707-L783 HydrophobicContact CG2-CD1 3.45Å; I707-L783 VanDerWaalsContact CG2-CD1 3.45Å; I707-L783 HydrophobicContact CG2-CG 3.93Å; I707-I799 HydrophobicContact CD1-CD1 4.4Å; I707-I799 HydrophobicContact CD1-CG1 4.27Å; I707-I799 HydrophobicContact CD1-CG2 3.77Å; I707-F802 HydrophobicContact CD1-CD1 4.45Å; I707-F802 HydrophobicContact CD1-CE1 4.43Å; I707-F802 HydrophobicContact CG1-CD1 4.43Å; I707-F802 HydrophobicContact CG1-CE1 4Å
708	T	98.8	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.1	168.4	-171.7	0	0	0	0	110.4	G618 P619 F688 L768 L781 V782 L783	G618-T708 WeakPolarHBondContact O-CA 3.49Å; G618-T708 PolarHBondContact O-OG1 2.95Å; P619-T708 WeakPolarHBondContact CD-OG1 3.4Å; F688-T708 VanDerWaalsContact CD2-OG1 3.29Å; F688-T708 WeakPolarHBondContact CD2-OG1 3.34Å; F688-T708 HydrophobicContact CE2-CG2 4.38Å; F688-T708 WeakPolarHBondContact CE2-OG1 3.47Å; T708-L768 HydrophobicContact CG2-CD2 3.98Å; T708-L781 PolarHBondContact N-O 2.92Å; T708-V782 HydrophobicContact CG2-CB 4.25Å; T708-V782 HydrophobicContact CG2-CG1 4.19Å; T708-V782 HydrophobicContact CG2-CG2 3.87Å; T708-L783 WeakPolarHBondContact O-CB 3.27Å; T708-L783 PolarHBondContact O-N 2.93Å
709	I	98.6	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.2	-177.9	-46.5	166.5	0	0	0	108.9	G618 P619 T622 T624 L627 L783 L788	G618-I709 PolarHBondContact O-N 2.89Å; P619-I709 WeakPolarHBondContact CD-O 3.27Å; T622-I709 WeakPolarHBondContact CB-O 3.37Å; T622-I709 VanDerWaalsContact CG2-O 3.24Å; T622-I709 WeakPolarHBondContact CG2-O 3.1Å; T622-I709 WeakPolarHBondContact O-CG2 3.3Å; T622-I709 PolarHBondContact OG1-O 2.95Å; T624-I709 HydrophobicContact CG2-CD1 3.88Å; L627-I709 HydrophobicContact CB-CD1 3.87Å; L627-I709 HydrophobicContact CD2-CD1 3.6Å; L627-I709 HydrophobicContact CD2-CG1 4.02Å; L627-I709 HydrophobicContact CG-CD1 4.38Å; I709-L783 HydrophobicContact CB-CB 4.45Å; I709-L783 HydrophobicContact CG1-CB 4.27Å; I709-L783 HydrophobicContact CG1-CD1 4.2Å; I709-L783 HydrophobicContact CG2-CB 4.31Å; I709-L788 HydrophobicContact CD1-CD2 3.94Å; I709-L788 HydrophobicContact CG2-CD2 4.17Å
710	L	98.5	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.4	-177.2	-51.6	-176.1	0	0	0	111.1	P619 F688 Y764 L768 V782 L783 G785 L866 W880	P619-L710 HydrophobicContact CG-CD2 4.27Å; F688-L710 HydrophobicContact CE2-CD2 4.4Å; F688-L710 HydrophobicContact CZ-CD2 4.14Å; L710-Y764 HydrophobicContact CB-CD2 4.37Å; L710-Y764 HydrophobicContact CB-CE2 4.23Å; L710-Y764 HydrophobicContact CD1-CD2 4.09Å; L710-Y764 HydrophobicContact CD1-CG 4.22Å; L710-Y764 HydrophobicContact CD2-CD1 3.84Å; L710-Y764 HydrophobicContact CD2-CD2 4.1Å; L710-Y764 HydrophobicContact CD2-CE1 4.1Å; L710-Y764 HydrophobicContact CD2-CE2 4.35Å; L710-Y764 HydrophobicContact CD2-CG 3.83Å; L710-Y764 HydrophobicContact CG-CD2 4.42Å; L710-L768 HydrophobicContact CD1-CD1 4.42Å; L710-V782 HydrophobicContact CD1-CG1 3.54Å; L710-V782 HydrophobicContact CG-CG1 3.85Å; L710-L783 PolarHBondContact N-O 3.4Å; L710-G785 PolarHBondContact O-N 3.06Å; L710-L866 HydrophobicContact CD1-CD1 4.21Å; L710-L866 HydrophobicContact CD1-CD2 4.17Å; L710-W880 HydrophobicContact CB-CZ2 4.08Å; L710-W880 PolarHBondContact O-NE1 2.81Å
711	I	97.8	Very high	98	Very high	28 Å²	28	20.9 Å²	20.9	14%	0.144	10%	0.104	C	C	.	.			trans	-116.3	173.2	165.4	66.2	176.8	0	0	0	108.7	T622 P713 D715 R716 Y764 W880	T622-I711 HydrophobicContact CG2-CD1 4.41Å; T622-I711 HydrophobicContact CG2-CG1 3.99Å; I711-P713 VanDerWaalsContact O-N 3.17Å; I711-D715 HydrophobicContact CD1-CB 4.41Å; I711-R716 HydrophobicContact CD1-CB 3.95Å; I711-R716 HydrophobicContact CG1-CB 3.8Å; I711-R716 HydrophobicContact CG1-CG 4.48Å; I711-Y764 VanDerWaalsContact O-CE2 3.22Å; I711-Y764 WeakPolarHBondContact O-CE2 3.45Å; I711-Y764 PolarHBondContact O-OH 2.97Å; I711-W880 VanDerWaalsContact C-CE2 3.43Å; I711-W880 WeakPolarHBondContact O-CZ2 3.4Å
712	N	97.6	Very high	98	Very high	20 Å²	20	21.5 Å²	21.5	11%	0.107	11%	0.107	C	C	.	.			trans	-47.8	124.4	173.6	-172.6	-47.3	0	0	0	110.5	A714 D715 R716 W880 E884	N712-A714 PolarHBondContact O-N 2.82Å; N712-A714 VanDerWaalsContact OD1-CB 3.31Å; N712-A714 WeakPolarHBondContact OD1-CB 3.48Å; N712-A714 PolarHBondContact OD1-N 3.21Å; N712-D715 HydrophobicContact CB-CB 4.26Å; N712-D715 WeakPolarHBondContact CB-OD2 3.26Å; N712-D715 PolarHBondContact O-N 3.13Å; N712-D715 VanDerWaalsContact O-N 3.14Å; N712-R716 PolarHBondContact O-N 2.86Å; N712-W880 HydrophobicContact CB-CB 4.39Å; N712-W880 HydrophobicContact CB-CD2 4.25Å; N712-W880 HydrophobicContact CB-CE3 4.08Å; N712-W880 HydrophobicContact CB-CG 4.41Å; N712-E884 PolarHBondContact ND2-OE1 3.37Å
713	P	98	Very high	98	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-27.5	-173.7	26.7	-35.9	0	0	0	112.5	I711 R716 A717 Y764 Y859 W880	I711-P713 VanDerWaalsContact O-N 3.17Å; P713-R716 PolarHBondContact O-N 3.44Å; P713-A717 WeakPolarHBondContact O-CB 3.22Å; P713-A717 PolarHBondContact O-N 3.4Å; P713-Y764 HydrophobicContact CB-CE2 3.97Å; P713-Y764 HydrophobicContact CG-CE2 4.44Å; P713-Y859 HydrophobicContact CB-CD1 4.04Å; P713-Y859 HydrophobicContact CB-CD2 3.73Å; P713-Y859 HydrophobicContact CB-CE1 3.99Å; P713-Y859 HydrophobicContact CB-CE2 3.67Å; P713-Y859 HydrophobicContact CB-CG 3.92Å; P713-Y859 HydrophobicContact CG-CD1 4.15Å; P713-Y859 HydrophobicContact CG-CD2 3.64Å; P713-Y859 HydrophobicContact CG-CE2 4.11Å; P713-Y859 HydrophobicContact CG-CG 3.65Å; P713-W880 HydrophobicContact CG-CZ3 4.36Å
714	A	97.8	Very high	98	Very high	5 Å²	5	16.5 Å²	16.5	4%	0.041	8%	0.082	C	C	.	.	H	α-helix	trans	-66.2	-48.8	173.5	0	0	0	0	0	111.7	N712 R716 A717 Y718 M847 L855	N712-A714 PolarHBondContact O-N 2.82Å; N712-A714 VanDerWaalsContact OD1-CB 3.31Å; N712-A714 WeakPolarHBondContact OD1-CB 3.48Å; N712-A714 PolarHBondContact OD1-N 3.21Å; A714-R716 VanDerWaalsContact C-N 3.28Å; A714-R716 PolarHBondContact O-N 3.16Å; A714-A717 WeakPolarHBondContact O-CB 3.49Å; A714-A717 PolarHBondContact O-N 2.91Å; A714-Y718 WeakPolarHBondContact O-CB 3.3Å; A714-Y718 PolarHBondContact O-N 3.16Å; A714-M847 HydrophobicContact CB-CE 4.1Å; A714-L855 HydrophobicContact CB-CB 3.68Å; A714-L855 HydrophobicContact CB-CD1 3.8Å; A714-L855 HydrophobicContact CB-CG 4.36Å
715	D	97.4	Very high	98	Very high	77 Å²	77	20.4 Å²	20.4	41%	0.412	10%	0.096	S	C	.	.	H	α-helix	trans	-62.8	-37	176.3	-67.4	-32.3	0	0	0	112	I711 N712 Y718 S719	I711-D715 HydrophobicContact CD1-CB 4.41Å; N712-D715 HydrophobicContact CB-CB 4.26Å; N712-D715 WeakPolarHBondContact CB-OD2 3.26Å; N712-D715 PolarHBondContact O-N 3.13Å; N712-D715 VanDerWaalsContact O-N 3.14Å; D715-Y718 PolarHBondContact O-N 2.92Å; D715-S719 VanDerWaalsContact O-CB 3.24Å; D715-S719 WeakPolarHBondContact O-CB 3.48Å; D715-S719 PolarHBondContact O-N 2.9Å
716	R	97.9	Very high	97.8	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-62.9	-46.7	175.3	-175.6	-99.9	160.6	-150.6	-5	111.1	Q620 K621 T622 I711 N712 P713 A714 S719 W720 R757 C758 P761	Q620-R716 PolarHBondContact O-NE 3.09Å; K621-R716 HydrophobicContact CB-CG 4.47Å; T622-R716 HydrophobicContact CG2-CG 4.06Å; I711-R716 HydrophobicContact CD1-CB 3.95Å; I711-R716 HydrophobicContact CG1-CB 3.8Å; I711-R716 HydrophobicContact CG1-CG 4.48Å; N712-R716 PolarHBondContact O-N 2.86Å; P713-R716 PolarHBondContact O-N 3.44Å; A714-R716 VanDerWaalsContact C-N 3.28Å; A714-R716 PolarHBondContact O-N 3.16Å; R716-S719 PolarHBondContact O-N 2.94Å; R716-W720 PolarHBondContact O-N 3.22Å; R716-R757 PolarHBondContact NH1-O 2.89Å; R716-C758 PolarHBondContact NH1-O 3.25Å; R716-P761 VanDerWaalsContact CZ-CB 3.44Å; R716-P761 VanDerWaalsContact NH2-CB 3.34Å
717	A	98.3	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-45.6	176.1	0	0	0	0	0	111.3	P713 A714 W720 Y721 F737 C758 L759	P713-A717 WeakPolarHBondContact O-CB 3.22Å; P713-A717 PolarHBondContact O-N 3.4Å; A714-A717 WeakPolarHBondContact O-CB 3.49Å; A714-A717 PolarHBondContact O-N 2.91Å; A717-W720 WeakPolarHBondContact O-CB 3.42Å; A717-W720 PolarHBondContact O-N 3.36Å; A717-Y721 PolarHBondContact O-N 3.22Å; A717-F737 HydrophobicContact CB-CZ 4.17Å; A717-C758 HydrophobicContact CB-CB 4.18Å; A717-C758 VanDerWaalsContact CB-O 3.31Å; A717-C758 WeakPolarHBondContact CB-O 3.41Å; A717-L759 HydrophobicContact CB-CD2 4.47Å
718	Y	98.3	Very high	97.6	Very high	19 Å²	19	31.1 Å²	31.1	8%	0.075	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-42.8	177.8	-171.7	-122.1	0	0	0	112.3	A714 D715 W720 Y721 Q722 F737 Y844 P845 D846 M847	A714-Y718 WeakPolarHBondContact O-CB 3.3Å; A714-Y718 PolarHBondContact O-N 3.16Å; D715-Y718 PolarHBondContact O-N 2.92Å; Y718-W720 VanDerWaalsContact C-N 3.26Å; Y718-W720 PolarHBondContact O-N 2.56Å; Y718-Y721 HydrophobicContact CD2-CD1 4.32Å; Y718-Y721 HydrophobicContact CE2-CD1 4.23Å; Y718-Y721 WeakPolarHBondContact O-CB 3.36Å; Y718-Y721 PolarHBondContact O-N 2.76Å; Y718-Q722 HydrophobicContact CD1-CG 4.4Å; Y718-Q722 HydrophobicContact CE1-CG 4.11Å; Y718-Q722 HydrophobicContact CE2-CG 4.28Å; Y718-Q722 VanDerWaalsContact CZ-NE2 3.28Å; Y718-Q722 WeakPolarHBondContact O-CG 3.14Å; Y718-Q722 PolarHBondContact O-N 3.1Å; Y718-Q722 PolarHBondContact OH-NE2 3.21Å; Y718-F737 HydrophobicContact CD2-CB 4.17Å; Y718-F737 AromaticContact CD2-CD1 3.46Å; Y718-F737 HydrophobicContact CD2-CD1 3.46Å; Y718-F737 VanDerWaalsContact CD2-CD1 3.46Å; Y718-F737 AromaticContact CD2-CD2 3.93Å; Y718-F737 HydrophobicContact CD2-CD2 3.93Å; Y718-F737 AromaticContact CD2-CE1 3.69Å; Y718-F737 HydrophobicContact CD2-CE1 3.69Å; Y718-F737 HydrophobicContact CD2-CE2 4.14Å; Y718-F737 AromaticContact CD2-CG 3.58Å; Y718-F737 HydrophobicContact CD2-CG 3.58Å; Y718-F737 HydrophobicContact CD2-CZ 4.01Å; Y718-F737 HydrophobicContact CE2-CB 4.03Å; Y718-F737 AromaticContact CE2-CD1 3.99Å; Y718-F737 HydrophobicContact CE2-CD1 3.99Å; Y718-F737 AromaticContact CE2-CG 3.96Å; Y718-F737 HydrophobicContact CE2-CG 3.96Å; Y718-F737 HydrophobicContact CG-CD1 4.46Å; Y718-F737 HydrophobicContact CG-CE1 4.29Å; Y718-F737 HydrophobicContact CG-CZ 4.47Å; Y718-Y844 HydrophobicContact CD1-CD2 4.31Å; Y718-Y844 AromaticContact CD1-CE2 3.89Å; Y718-Y844 HydrophobicContact CD1-CE2 3.89Å; Y718-Y844 AromaticContact CE1-CD2 3.68Å; Y718-Y844 HydrophobicContact CE1-CD2 3.68Å; Y718-Y844 AromaticContact CE1-CE2 3.74Å; Y718-Y844 HydrophobicContact CE1-CE2 3.74Å; Y718-P845 WeakPolarHBondContact CE1-O 3.43Å; Y718-P845 PolarHBondContact OH-O 2.53Å; Y718-D846 PolarHBondContact OH-O 2.83Å; Y718-M847 HydrophobicContact CD1-CB 4.07Å; Y718-M847 HydrophobicContact CD2-CB 4.38Å; Y718-M847 HydrophobicContact CD2-CG 4.39Å; Y718-M847 HydrophobicContact CE1-CB 4.11Å; Y718-M847 HydrophobicContact CE2-CB 4.4Å; Y718-M847 HydrophobicContact CG-CB 4.2Å; Y718-M847 HydrophobicContact CG-CG 4.48Å; Y718-M847 HydrophobicContact CG-SD 4.4Å
719	S	97.3	Very high	97.5	Very high	17 Å²	17	33 Å²	33	12%	0.119	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-32.9	175.7	-166.3	0	0	0	0	112.4	K621 D715 R716 H723 Y844	K621-S719 VanDerWaalsContact CE-O 3.3Å; K621-S719 WeakPolarHBondContact CE-O 3.33Å; K621-S719 WeakPolarHBondContact CE-OG 3.46Å; D715-S719 VanDerWaalsContact O-CB 3.24Å; D715-S719 WeakPolarHBondContact O-CB 3.48Å; D715-S719 PolarHBondContact O-N 2.9Å; R716-S719 PolarHBondContact O-N 2.94Å; S719-H723 VanDerWaalsContact O-CB 3.29Å; S719-H723 WeakPolarHBondContact O-CB 3.46Å; S719-H723 PolarHBondContact O-N 3.45Å; S719-Y844 PolarHBondContact OG-OH 2.9Å
720	W	97.9	Very high	97.4	Very high	17 Å²	17	37.9 Å²	37.9	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-68.2	-46.5	172.6	-180	-101.5	0	0	0	111.5	Q620 K621 R716 A717 Y718 Q722 H723 Q724	Q620-W720 HydrophobicContact CB-CE3 4.34Å; Q620-W720 HydrophobicContact CB-CZ3 4.38Å; Q620-W720 VanDerWaalsContact CD-CZ3 3.44Å; K621-W720 HydrophobicContact CD-CE3 3.97Å; K621-W720 HydrophobicContact CG-CB 4.05Å; K621-W720 HydrophobicContact CG-CE3 3.96Å; R716-W720 PolarHBondContact O-N 3.22Å; A717-W720 WeakPolarHBondContact O-CB 3.42Å; A717-W720 PolarHBondContact O-N 3.36Å; Y718-W720 VanDerWaalsContact C-N 3.26Å; Y718-W720 PolarHBondContact O-N 2.56Å; W720-Q722 PolarHBondContact O-N 3.23Å; W720-H723 AromaticContact CZ3-ND1 3.99Å; W720-H723 WeakPolarHBondContact O-CA 3.15Å; W720-H723 VanDerWaalsContact O-CB 3.25Å; W720-H723 WeakPolarHBondContact O-CB 3.41Å; W720-H723 PolarHBondContact O-N 3.29Å; W720-H723 VanDerWaalsContact O-N 3.1Å; W720-Q724 HydrophobicContact CZ2-CG 4.25Å; W720-Q724 WeakPolarHBondContact O-CG 3.44Å; W720-Q724 PolarHBondContact O-N 3.24Å
721	Y	98.2	Very high	97.3	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-56.1	-48.3	174.1	169.1	-101.8	0	0	0	112.2	A717 Y718 H723 Q724 R725 A732 Y735 F737 V740 L754	A717-Y721 PolarHBondContact O-N 3.22Å; Y718-Y721 HydrophobicContact CD2-CD1 4.32Å; Y718-Y721 HydrophobicContact CE2-CD1 4.23Å; Y718-Y721 WeakPolarHBondContact O-CB 3.36Å; Y718-Y721 PolarHBondContact O-N 2.76Å; Y721-H723 VanDerWaalsContact C-N 3.25Å; Y721-H723 PolarHBondContact O-N 3.09Å; Y721-Q724 PolarHBondContact O-N 3.18Å; Y721-Q724 VanDerWaalsContact O-N 3.11Å; Y721-R725 VanDerWaalsContact CE1-CD 3.47Å; Y721-R725 HydrophobicContact CE1-CG 4.23Å; Y721-R725 HydrophobicContact CE2-CG 4.4Å; Y721-R725 PolarHBondContact O-N 2.82Å; Y721-R725 PolarHBondContact OH-NH1 2.97Å; Y721-A732 HydrophobicContact CD2-CB 4.19Å; Y721-A732 HydrophobicContact CE2-CB 4.06Å; Y721-A732 WeakPolarHBondContact CE2-O 3.42Å; Y721-A732 PolarHBondContact OH-O 3.13Å; Y721-A732 VanDerWaalsContact OH-O 3.07Å; Y721-Y735 PolarHBondContact OH-O 2.92Å; Y721-F737 HydrophobicContact CD1-CB 3.87Å; Y721-F737 AromaticContact CD1-CD2 3.74Å; Y721-F737 HydrophobicContact CD1-CD2 3.74Å; Y721-F737 HydrophobicContact CD1-CG 4.13Å; Y721-F737 HydrophobicContact CD2-CD2 4.02Å; Y721-F737 HydrophobicContact CE1-CB 3.76Å; Y721-F737 HydrophobicContact CE1-CD2 4.44Å; Y721-F737 HydrophobicContact CG-CB 4.33Å; Y721-F737 AromaticContact CG-CD2 3.49Å; Y721-F737 HydrophobicContact CG-CD2 3.49Å; Y721-F737 VanDerWaalsContact CG-CD2 3.49Å; Y721-F737 HydrophobicContact CG-CE2 4.23Å; Y721-F737 HydrophobicContact CG-CG 4.31Å; Y721-F737 PolarHBondContact OH-N 2.86Å; Y721-V740 HydrophobicContact CD2-CG2 4.16Å; Y721-V740 HydrophobicContact CE2-CG2 3.92Å; Y721-L754 HydrophobicContact CD2-CD2 4.45Å
722	Q	97.9	Very high	97.2	Very high	22 Å²	22	37.4 Å²	37.4	10%	0.103	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-30.3	177.4	-66.4	-68.4	16.5	0	0	112.7	Y718 W720 A726 Y844	Y718-Q722 HydrophobicContact CD1-CG 4.4Å; Y718-Q722 HydrophobicContact CE1-CG 4.11Å; Y718-Q722 HydrophobicContact CE2-CG 4.28Å; Y718-Q722 VanDerWaalsContact CZ-NE2 3.28Å; Y718-Q722 WeakPolarHBondContact O-CG 3.14Å; Y718-Q722 PolarHBondContact O-N 3.1Å; Y718-Q722 PolarHBondContact OH-NE2 3.21Å; W720-Q722 PolarHBondContact O-N 3.23Å; Q722-A726 WeakPolarHBondContact O-CB 3.33Å; Q722-A726 PolarHBondContact O-N 3.12Å; Q722-Y844 HydrophobicContact CB-CD1 3.71Å; Q722-Y844 HydrophobicContact CB-CE1 3.85Å; Q722-Y844 HydrophobicContact CB-CG 4.07Å; Q722-Y844 HydrophobicContact CG-CD1 3.86Å; Q722-Y844 HydrophobicContact CG-CD2 3.8Å; Q722-Y844 HydrophobicContact CG-CE1 4.16Å; Q722-Y844 HydrophobicContact CG-CE2 4.1Å; Q722-Y844 HydrophobicContact CG-CG 3.66Å
723	H	96.6	Very high	97.2	Very high	43 Å²	43	40.1 Å²	40.1	20%	0.199	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-43.9	171.8	-178.9	-94.8	0	0	0	112.2	K621 S719 W720 Y721 A726 H727	K621-H723 HydrophobicContact CD-CB 4.26Å; K621-H723 PolarHBondContact NZ-CD2 3.19Å; S719-H723 VanDerWaalsContact O-CB 3.29Å; S719-H723 WeakPolarHBondContact O-CB 3.46Å; S719-H723 PolarHBondContact O-N 3.45Å; W720-H723 AromaticContact CZ3-ND1 3.99Å; W720-H723 WeakPolarHBondContact O-CA 3.15Å; W720-H723 VanDerWaalsContact O-CB 3.25Å; W720-H723 WeakPolarHBondContact O-CB 3.41Å; W720-H723 PolarHBondContact O-N 3.29Å; W720-H723 VanDerWaalsContact O-N 3.1Å; Y721-H723 VanDerWaalsContact C-N 3.25Å; Y721-H723 PolarHBondContact O-N 3.09Å; H723-A726 PolarHBondContact O-N 3.19Å; H723-H727 AromaticContact CD2-CE1 3.59Å; H723-H727 AromaticContact CD2-ND1 3.92Å; H723-H727 AromaticContact CE1-CE1 3.36Å; H723-H727 PolarHBondContact CE1-CE1 3.09Å; H723-H727 AromaticContact CE1-ND1 3.55Å; H723-H727 AromaticContact ND1-CE1 3.99Å; H723-H727 AromaticContact ND1-ND1 3.8Å; H723-H727 AromaticContact NE2-CE1 3.11Å; H723-H727 PolarHBondContact NE2-CE1 2.83Å; H723-H727 AromaticContact NE2-ND1 3.68Å; H723-H727 AromaticContact NE2-NE2 3.99Å; H723-H727 PolarHBondContact O-N 2.86Å; H723-H727 PolarHBondContact O-ND1 3.47Å
724	Q	97.6	Very high	97.2	Very high	36 Å²	36	47.4 Å²	47.4	17%	0.168	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-42.2	177.6	-65.5	-52.6	102.4	0	0	111.3	W720 Y721 A726 H727 D728 D729 A732 L754	W720-Q724 HydrophobicContact CZ2-CG 4.25Å; W720-Q724 WeakPolarHBondContact O-CG 3.44Å; W720-Q724 PolarHBondContact O-N 3.24Å; Y721-Q724 PolarHBondContact O-N 3.18Å; Y721-Q724 VanDerWaalsContact O-N 3.11Å; Q724-A726 VanDerWaalsContact C-N 3.3Å; Q724-A726 PolarHBondContact O-N 3.12Å; Q724-H727 CarbonylContact O-C 3.53Å; Q724-H727 PolarHBondContact O-N 2.78Å; Q724-H727 VanDerWaalsContact O-N 3.08Å; Q724-D728 PolarHBondContact O-N 2.93Å; Q724-D729 HydrophobicContact CB-CB 3.79Å; Q724-D729 PolarHBondContact NE2-OD2 3.46Å; Q724-D729 VanDerWaalsContact O-CB 3.28Å; Q724-D729 WeakPolarHBondContact O-CB 3.43Å; Q724-D729 PolarHBondContact O-N 2.87Å; Q724-A732 HydrophobicContact CB-CB 3.74Å; Q724-L754 HydrophobicContact CB-CD1 4.27Å; Q724-L754 HydrophobicContact CG-CD1 3.81Å
725	R	96.8	Very high	97.1	Very high	86 Å²	86	50 Å²	50	33%	0.325	25%	0.253	S	S	.	.	H	α-helix	trans	-57.3	-42.6	172.3	-69.7	-171.4	70.1	117.6	1.9	112.8	Y721 H727 D728 A732 L733	Y721-R725 VanDerWaalsContact CE1-CD 3.47Å; Y721-R725 HydrophobicContact CE1-CG 4.23Å; Y721-R725 HydrophobicContact CE2-CG 4.4Å; Y721-R725 PolarHBondContact O-N 2.82Å; Y721-R725 PolarHBondContact OH-NH1 2.97Å; R725-H727 PolarHBondContact O-N 3.13Å; R725-D728 PolarHBondContact O-N 3.24Å; R725-D728 VanDerWaalsContact O-N 3.08Å; R725-A732 HydrophobicContact CG-CB 3.69Å; R725-A732 WeakPolarHBondContact CG-O 3.44Å; R725-A732 PolarHBondContact NH1-O 2.99Å; R725-L733 HydrophobicContact CB-CD2 4.28Å; R725-L733 HydrophobicContact CG-CD2 4.43Å
726	A	95.4	Very high	97.1	Very high	48 Å²	48	49.2 Å²	49.2	40%	0.397	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.7	179.4	0	0	0	0	0	114.4	Q722 H723 Q724 R842	Q722-A726 WeakPolarHBondContact O-CB 3.33Å; Q722-A726 PolarHBondContact O-N 3.12Å; H723-A726 PolarHBondContact O-N 3.19Å; Q724-A726 VanDerWaalsContact C-N 3.3Å; Q724-A726 PolarHBondContact O-N 3.12Å; A726-R842 VanDerWaalsContact CB-NE 3.3Å
727	H	95.4	Very high	97.1	Very high	108 Å²	108	49.5 Å²	49.5	50%	0.5	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	22.7	170.4	-67.4	81.5	0	0	0	111.1	H723 Q724 R725 D729	H723-H727 AromaticContact CD2-CE1 3.59Å; H723-H727 AromaticContact CD2-ND1 3.92Å; H723-H727 AromaticContact CE1-CE1 3.36Å; H723-H727 PolarHBondContact CE1-CE1 3.09Å; H723-H727 AromaticContact CE1-ND1 3.55Å; H723-H727 AromaticContact ND1-CE1 3.99Å; H723-H727 AromaticContact ND1-ND1 3.8Å; H723-H727 AromaticContact NE2-CE1 3.11Å; H723-H727 PolarHBondContact NE2-CE1 2.83Å; H723-H727 AromaticContact NE2-ND1 3.68Å; H723-H727 AromaticContact NE2-NE2 3.99Å; H723-H727 PolarHBondContact O-N 2.86Å; H723-H727 PolarHBondContact O-ND1 3.47Å; Q724-H727 CarbonylContact O-C 3.53Å; Q724-H727 PolarHBondContact O-N 2.78Å; Q724-H727 VanDerWaalsContact O-N 3.08Å; R725-H727 PolarHBondContact O-N 3.13Å; H727-D729 PolarHBondContact O-N 3.02Å; H727-D729 VanDerWaalsContact O-N 3.17Å
728	D	96.8	Very high	97.1	Very high	120 Å²	120	50.5 Å²	50.5	64%	0.642	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	33.8	175.1	-55.2	-50.3	0	0	0	114.4	Q724 R725 P730 L733	Q724-D728 PolarHBondContact O-N 2.93Å; R725-D728 PolarHBondContact O-N 3.24Å; R725-D728 VanDerWaalsContact O-N 3.08Å; D728-P730 VanDerWaalsContact O-CD 3.29Å; D728-P730 WeakPolarHBondContact O-CD 3.42Å; D728-L733 HydrophobicContact CB-CD1 4.29Å
729	D	97.5	Very high	97	Very high	39 Å²	39	55.5 Å²	55.5	21%	0.209	28%	0.283	C	S	.	.			trans	-60.3	119.2	173.2	-178.1	-65.6	0	0	0	109.8	Q724 H727 V731 A732 L733	Q724-D729 HydrophobicContact CB-CB 3.79Å; Q724-D729 PolarHBondContact NE2-OD2 3.46Å; Q724-D729 VanDerWaalsContact O-CB 3.28Å; Q724-D729 WeakPolarHBondContact O-CB 3.43Å; Q724-D729 PolarHBondContact O-N 2.87Å; H727-D729 PolarHBondContact O-N 3.02Å; H727-D729 VanDerWaalsContact O-N 3.17Å; D729-V731 PolarHBondContact O-N 3.26Å; D729-V731 VanDerWaalsContact O-N 3.16Å; D729-V731 WeakPolarHBondContact OD1-CA 3.37Å; D729-V731 WeakPolarHBondContact OD1-CB 3.13Å; D729-V731 PolarHBondContact OD1-N 3.22Å; D729-A732 HydrophobicContact CB-CB 3.94Å; D729-A732 PolarHBondContact O-N 3.06Å; D729-A732 PolarHBondContact OD1-N 3.12Å; D729-L733 WeakPolarHBondContact O-CG 3.1Å; D729-L733 PolarHBondContact O-N 3.44Å
730	P	96.4	Very high	97	Very high	102 Å²	102	54.7 Å²	54.7	66%	0.662	28%	0.277	S	S	*	.	H	α-helix	trans	-61.6	-30.4	-173.1	-25.8	34.4	0	0	0	113.7	D728 K734	D728-P730 VanDerWaalsContact O-CD 3.29Å; D728-P730 WeakPolarHBondContact O-CD 3.42Å; P730-K734 WeakPolarHBondContact O-CB 3.19Å; P730-K734 PolarHBondContact O-N 2.87Å; P730-K734 VanDerWaalsContact O-N 3.12Å
731	V	96.6	Very high	97	Very high	19 Å²	19	54 Å²	54	12%	0.115	27%	0.274	C	S	.	.	H	α-helix	trans	-76	-46.1	179.9	-176.7	0	0	0	0	109.4	D729 L733 K734 Y735 K750 L751 L754	D729-V731 PolarHBondContact O-N 3.26Å; D729-V731 VanDerWaalsContact O-N 3.16Å; D729-V731 WeakPolarHBondContact OD1-CA 3.37Å; D729-V731 WeakPolarHBondContact OD1-CB 3.13Å; D729-V731 PolarHBondContact OD1-N 3.22Å; V731-L733 VanDerWaalsContact C-N 3.27Å; V731-L733 PolarHBondContact O-N 3.06Å; V731-K734 PolarHBondContact O-N 3.2Å; V731-Y735 HydrophobicContact CG1-CD2 3.76Å; V731-Y735 HydrophobicContact CG1-CE2 4.2Å; V731-Y735 WeakPolarHBondContact O-CD2 3.47Å; V731-Y735 PolarHBondContact O-N 3.33Å; V731-K750 HydrophobicContact CG2-CB 3.81Å; V731-L751 HydrophobicContact CG1-CB 4.24Å; V731-L751 HydrophobicContact CG1-CD1 3.8Å; V731-L754 HydrophobicContact CB-CD2 4.1Å; V731-L754 HydrophobicContact CG1-CB 4.28Å; V731-L754 HydrophobicContact CG1-CD2 3.78Å
732	A	96.4	Very high	96.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.4	-31.9	179.7	0	0	0	0	0	112.4	Y721 Q724 R725 D729 L754	Y721-A732 HydrophobicContact CD2-CB 4.19Å; Y721-A732 HydrophobicContact CE2-CB 4.06Å; Y721-A732 WeakPolarHBondContact CE2-O 3.42Å; Y721-A732 PolarHBondContact OH-O 3.13Å; Y721-A732 VanDerWaalsContact OH-O 3.07Å; Q724-A732 HydrophobicContact CB-CB 3.74Å; R725-A732 HydrophobicContact CG-CB 3.69Å; R725-A732 WeakPolarHBondContact CG-O 3.44Å; R725-A732 PolarHBondContact NH1-O 2.99Å; D729-A732 HydrophobicContact CB-CB 3.94Å; D729-A732 PolarHBondContact O-N 3.06Å; D729-A732 PolarHBondContact OD1-N 3.12Å; A732-L754 HydrophobicContact CB-CD2 3.81Å
733	L	97.1	Very high	96.8	Very high	77 Å²	77	55.9 Å²	55.9	40%	0.403	29%	0.29	S	S	.	.	H	α-helix	trans	-73.3	-37.7	173.5	-70.4	178	0	0	0	112.6	R725 D728 D729 V731	R725-L733 HydrophobicContact CB-CD2 4.28Å; R725-L733 HydrophobicContact CG-CD2 4.43Å; D728-L733 HydrophobicContact CB-CD1 4.29Å; D729-L733 WeakPolarHBondContact O-CG 3.1Å; D729-L733 PolarHBondContact O-N 3.44Å; V731-L733 VanDerWaalsContact C-N 3.27Å; V731-L733 PolarHBondContact O-N 3.06Å
734	K	97.3	Very high	96.6	Very high	154 Å²	154	56.4 Å²	56.4	67%	0.67	30%	0.301	S	S	*	.	H	α-helix	trans	-75.2	-40.8	-177.2	-179.8	176.5	177.7	-173.1	0	113.6	P730 V731	P730-K734 WeakPolarHBondContact O-CB 3.19Å; P730-K734 PolarHBondContact O-N 2.87Å; P730-K734 VanDerWaalsContact O-N 3.12Å; V731-K734 PolarHBondContact O-N 3.2Å
735	Y	96.9	Very high	96.1	Very high	58 Å²	58	65.4 Å²	65.4	23%	0.227	33%	0.334	C	S	.	.	S	Bend	trans	-107.3	140.5	-173.9	-62.2	-81.7	0	0	0	111.1	Y721 V731 L751	Y721-Y735 PolarHBondContact OH-O 2.92Å; V731-Y735 HydrophobicContact CG1-CD2 3.76Å; V731-Y735 HydrophobicContact CG1-CE2 4.2Å; V731-Y735 WeakPolarHBondContact O-CD2 3.47Å; V731-Y735 PolarHBondContact O-N 3.33Å; Y735-L751 HydrophobicContact CD1-CD2 4.17Å; Y735-L751 HydrophobicContact CD2-CD1 3.82Å; Y735-L751 HydrophobicContact CD2-CD2 4.45Å; Y735-L751 HydrophobicContact CE1-CD2 4.16Å; Y735-L751 HydrophobicContact CE2-CD1 4.4Å; Y735-L751 HydrophobicContact CE2-CD2 4.44Å; Y735-L751 HydrophobicContact CG-CD1 3.9Å; Y735-L751 HydrophobicContact CG-CD2 4.32Å
736	S	96.8	Very high	95.9	Very high	62 Å²	62	68.3 Å²	68.3	43%	0.434	36%	0.356	S	S	.	.			trans	-66	160.7	170.6	65.5	0	0	0	0	111.2	N738 K739 V740	S736-N738 PolarHBondContact O-N 3.23Å; S736-K739 PolarHBondContact O-N 3.11Å; S736-K739 VanDerWaalsContact O-N 3.16Å; S736-K739 WeakPolarHBondContact OG-CG 3.23Å; S736-K739 PolarHBondContact OG-N 2.8Å; S736-V740 WeakPolarHBondContact O-CG2 3.45Å; S736-V740 PolarHBondContact O-N 2.84Å
737	F	98	Very high	95.8	Very high	7 Å²	7	66.9 Å²	66.9	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-58.9	-47	179.7	-176.3	-120.5	0	0	0	112.3	A717 Y718 Y721 K739 V740 I741 M847 L855	A717-F737 HydrophobicContact CB-CZ 4.17Å; Y718-F737 HydrophobicContact CD2-CB 4.17Å; Y718-F737 AromaticContact CD2-CD1 3.46Å; Y718-F737 HydrophobicContact CD2-CD1 3.46Å; Y718-F737 VanDerWaalsContact CD2-CD1 3.46Å; Y718-F737 AromaticContact CD2-CD2 3.93Å; Y718-F737 HydrophobicContact CD2-CD2 3.93Å; Y718-F737 AromaticContact CD2-CE1 3.69Å; Y718-F737 HydrophobicContact CD2-CE1 3.69Å; Y718-F737 HydrophobicContact CD2-CE2 4.14Å; Y718-F737 AromaticContact CD2-CG 3.58Å; Y718-F737 HydrophobicContact CD2-CG 3.58Å; Y718-F737 HydrophobicContact CD2-CZ 4.01Å; Y718-F737 HydrophobicContact CE2-CB 4.03Å; Y718-F737 AromaticContact CE2-CD1 3.99Å; Y718-F737 HydrophobicContact CE2-CD1 3.99Å; Y718-F737 AromaticContact CE2-CG 3.96Å; Y718-F737 HydrophobicContact CE2-CG 3.96Å; Y718-F737 HydrophobicContact CG-CD1 4.46Å; Y718-F737 HydrophobicContact CG-CE1 4.29Å; Y718-F737 HydrophobicContact CG-CZ 4.47Å; Y721-F737 HydrophobicContact CD1-CB 3.87Å; Y721-F737 AromaticContact CD1-CD2 3.74Å; Y721-F737 HydrophobicContact CD1-CD2 3.74Å; Y721-F737 HydrophobicContact CD1-CG 4.13Å; Y721-F737 HydrophobicContact CD2-CD2 4.02Å; Y721-F737 HydrophobicContact CE1-CB 3.76Å; Y721-F737 HydrophobicContact CE1-CD2 4.44Å; Y721-F737 HydrophobicContact CG-CB 4.33Å; Y721-F737 AromaticContact CG-CD2 3.49Å; Y721-F737 HydrophobicContact CG-CD2 3.49Å; Y721-F737 VanDerWaalsContact CG-CD2 3.49Å; Y721-F737 HydrophobicContact CG-CE2 4.23Å; Y721-F737 HydrophobicContact CG-CG 4.31Å; Y721-F737 PolarHBondContact OH-N 2.86Å; F737-K739 VanDerWaalsContact C-N 3.29Å; F737-K739 PolarHBondContact O-N 3.29Å; F737-V740 WeakPolarHBondContact O-CA 3.32Å; F737-V740 WeakPolarHBondContact O-CB 3.26Å; F737-V740 PolarHBondContact O-N 2.89Å; F737-I741 HydrophobicContact CD1-CD1 4.16Å; F737-I741 HydrophobicContact CD2-CG2 4.04Å; F737-I741 HydrophobicContact CE1-CD1 3.96Å; F737-I741 HydrophobicContact CE1-CG2 4.05Å; F737-I741 HydrophobicContact CE2-CG2 3.54Å; F737-I741 HydrophobicContact CZ-CD1 4.48Å; F737-I741 HydrophobicContact CZ-CG2 3.56Å; F737-I741 WeakPolarHBondContact O-CG1 3.34Å; F737-I741 PolarHBondContact O-N 3.31Å; F737-M847 HydrophobicContact CD1-CG 4.25Å; F737-M847 HydrophobicContact CD1-SD 4.21Å; F737-M847 HydrophobicContact CE1-CG 4.23Å; F737-M847 HydrophobicContact CE1-SD 3.59Å; F737-M847 VanDerWaalsContact CE1-SD 3.59Å; F737-L855 HydrophobicContact CE1-CD1 3.63Å; F737-L855 HydrophobicContact CZ-CD1 3.78Å
738	N	97.5	Very high	95.8	Very high	20 Å²	20	65.2 Å²	65.2	11%	0.107	34%	0.343	C	S	.	.	H	α-helix	trans	-50.9	-46.6	173.6	-178.3	-82.2	0	0	0	112.1	S736 V740 I741 T742 S851	S736-N738 PolarHBondContact O-N 3.23Å; N738-V740 VanDerWaalsContact C-N 3.3Å; N738-V740 PolarHBondContact O-N 3.09Å; N738-I741 VanDerWaalsContact O-CG1 3.32Å; N738-I741 WeakPolarHBondContact O-CG1 3.16Å; N738-I741 PolarHBondContact O-N 3.13Å; N738-T742 WeakPolarHBondContact O-CB 3.19Å; N738-T742 WeakPolarHBondContact O-CG2 3.29Å; N738-T742 PolarHBondContact O-N 2.77Å; N738-T742 PolarHBondContact O-OG1 2.84Å; N738-S851 WeakPolarHBondContact CA-OG 3.43Å; N738-S851 VanDerWaalsContact CB-OG 3.3Å; N738-S851 WeakPolarHBondContact CB-OG 3.48Å
739	K	96.3	Very high	95.8	Very high	125 Å²	125	65.9 Å²	65.9	54%	0.543	35%	0.345	S	S	.	.	H	α-helix	trans	-67.2	-27.9	178.4	-72.1	-64.8	-177.7	-166.6	0	113.7	S736 F737 A743	S736-K739 PolarHBondContact O-N 3.11Å; S736-K739 VanDerWaalsContact O-N 3.16Å; S736-K739 WeakPolarHBondContact OG-CG 3.23Å; S736-K739 PolarHBondContact OG-N 2.8Å; F737-K739 VanDerWaalsContact C-N 3.29Å; F737-K739 PolarHBondContact O-N 3.29Å; K739-A743 PolarHBondContact O-N 3.4Å
740	V	97.7	Very high	95.7	Very high	0 Å²	0	72 Å²	72	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-71.5	-51.7	174.2	172.8	0	0	0	0	110.1	Y721 S736 F737 N738 T742 A743 L751 L754 Q755	Y721-V740 HydrophobicContact CD2-CG2 4.16Å; Y721-V740 HydrophobicContact CE2-CG2 3.92Å; S736-V740 WeakPolarHBondContact O-CG2 3.45Å; S736-V740 PolarHBondContact O-N 2.84Å; F737-V740 WeakPolarHBondContact O-CA 3.32Å; F737-V740 WeakPolarHBondContact O-CB 3.26Å; F737-V740 PolarHBondContact O-N 2.89Å; N738-V740 VanDerWaalsContact C-N 3.3Å; N738-V740 PolarHBondContact O-N 3.09Å; V740-T742 PolarHBondContact O-N 3.44Å; V740-A743 WeakPolarHBondContact O-CB 3.46Å; V740-A743 PolarHBondContact O-N 2.79Å; V740-L751 HydrophobicContact CB-CD1 4.25Å; V740-L751 HydrophobicContact CG2-CD1 3.72Å; V740-L754 HydrophobicContact CG1-CB 4.41Å; V740-L754 HydrophobicContact CG1-CD2 4.12Å; V740-L754 HydrophobicContact CG1-CG 3.88Å; V740-L754 HydrophobicContact CG2-CD2 3.92Å; V740-Q755 HydrophobicContact CG1-CB 4.26Å; V740-Q755 VanDerWaalsContact O-CB 3.24Å; V740-Q755 WeakPolarHBondContact O-CB 3.49Å; V740-Q755 WeakPolarHBondContact O-CG 3.19Å
741	I	97.8	Very high	95.7	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-72.1	-28.7	-173.8	64.3	-176.2	0	0	0	113.1	F737 N738 Q755 L759 F854 L855	F737-I741 HydrophobicContact CD1-CD1 4.16Å; F737-I741 HydrophobicContact CD2-CG2 4.04Å; F737-I741 HydrophobicContact CE1-CD1 3.96Å; F737-I741 HydrophobicContact CE1-CG2 4.05Å; F737-I741 HydrophobicContact CE2-CG2 3.54Å; F737-I741 HydrophobicContact CZ-CD1 4.48Å; F737-I741 HydrophobicContact CZ-CG2 3.56Å; F737-I741 WeakPolarHBondContact O-CG1 3.34Å; F737-I741 PolarHBondContact O-N 3.31Å; N738-I741 VanDerWaalsContact O-CG1 3.32Å; N738-I741 WeakPolarHBondContact O-CG1 3.16Å; N738-I741 PolarHBondContact O-N 3.13Å; I741-Q755 PolarHBondContact O-NE2 3.14Å; I741-L759 HydrophobicContact CB-CD2 4.29Å; I741-L759 HydrophobicContact CG2-CD2 3.97Å; I741-F854 HydrophobicContact CB-CD1 4.36Å; I741-F854 HydrophobicContact CB-CE1 4.1Å; I741-F854 HydrophobicContact CD1-CD1 3.79Å; I741-F854 HydrophobicContact CD1-CE1 4.39Å; I741-F854 HydrophobicContact CG1-CD1 3.94Å; I741-F854 HydrophobicContact CG1-CE1 4.09Å; I741-L855 HydrophobicContact CB-CD2 4.33Å; I741-L855 HydrophobicContact CD1-CD1 3.99Å; I741-L855 HydrophobicContact CD1-CD2 4.17Å; I741-L855 HydrophobicContact CD1-CG 3.9Å; I741-L855 HydrophobicContact CG2-CD2 4.32Å
742	T	96.7	Very high	95.6	Very high	54 Å²	54	71.3 Å²	71.3	33%	0.331	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	9.1	177.7	62	0	0	0	0	113.8	N738 V740 A744 F854	N738-T742 WeakPolarHBondContact O-CB 3.19Å; N738-T742 WeakPolarHBondContact O-CG2 3.29Å; N738-T742 PolarHBondContact O-N 2.77Å; N738-T742 PolarHBondContact O-OG1 2.84Å; V740-T742 PolarHBondContact O-N 3.44Å; T742-A744 PolarHBondContact O-N 3.36Å; T742-F854 HydrophobicContact CG2-CD1 4.41Å; T742-F854 HydrophobicContact CG2-CD2 4Å; T742-F854 HydrophobicContact CG2-CE1 4.38Å; T742-F854 HydrophobicContact CG2-CE2 3.96Å; T742-F854 HydrophobicContact CG2-CG 4.22Å; T742-F854 HydrophobicContact CG2-CZ 4.16Å
743	A	95.1	Very high	95.6	Very high	14 Å²	14	75.2 Å²	75.2	12%	0.116	38%	0.377	C	S	.	.			trans	-56.6	125.2	-177.4	0	0	0	0	0	111.7	K739 V740 A747 L751 Q755	K739-A743 PolarHBondContact O-N 3.4Å; V740-A743 WeakPolarHBondContact O-CB 3.46Å; V740-A743 PolarHBondContact O-N 2.79Å; A743-A747 HydrophobicContact CB-CB 4.02Å; A743-L751 HydrophobicContact CB-CD2 4.01Å; A743-L751 HydrophobicContact CB-CG 3.92Å; A743-Q755 PolarHBondContact O-NE2 3.28Å; A743-Q755 PolarHBondContact O-OE1 3.03Å
744	A	92.3	Very high	95.7	Very high	54 Å²	54	72 Å²	72	45%	0.446	36%	0.359	S	S	.	.			trans	-73.8	170.4	-179.7	0	0	0	0	0	112.4	T742 D746 A747	T742-A744 PolarHBondContact O-N 3.36Å; A744-D746 VanDerWaalsContact C-N 3.27Å; A744-D746 WeakPolarHBondContact CB-OD1 3.48Å; A744-D746 PolarHBondContact O-N 2.88Å; A744-A747 WeakPolarHBondContact O-CB 3.38Å; A744-A747 PolarHBondContact O-N 2.91Å; A744-A747 VanDerWaalsContact O-N 3.08Å
745	R	88.3	Confident	95.7	Very high	225 Å²	225	65.8 Å²	65.8	85%	0.849	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.6	-176.4	-69	-175.5	178.4	-175.4	0.8	113.2	A747 R752	R745-A747 VanDerWaalsContact C-N 3.35Å; R745-R752 WeakPolarHBondContact O-CD 3.44Å; R745-R752 PolarHBondContact O-NH1 2.96Å
746	D	91.5	Very high	95.7	Very high	147 Å²	147	66.6 Å²	66.6	79%	0.786	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.8	177.5	64.4	-32.5	0	0	0	113.4	A744	A744-D746 VanDerWaalsContact C-N 3.27Å; A744-D746 WeakPolarHBondContact CB-OD1 3.48Å; A744-D746 PolarHBondContact O-N 2.88Å
747	A	93.9	Very high	95.7	Very high	19 Å²	19	67.9 Å²	67.9	16%	0.157	34%	0.336	C	S	.	.	S	Bend	trans	-61.9	154.6	175.5	0	0	0	0	0	111.7	A743 A744 R745 I749 L751 R752	A743-A747 HydrophobicContact CB-CB 4.02Å; A744-A747 WeakPolarHBondContact O-CB 3.38Å; A744-A747 PolarHBondContact O-N 2.91Å; A744-A747 VanDerWaalsContact O-N 3.08Å; R745-A747 VanDerWaalsContact C-N 3.35Å; A747-I749 PolarHBondContact O-N 2.79Å; A747-L751 HydrophobicContact CB-CD2 4.29Å; A747-R752 HydrophobicContact CB-CG 4.18Å; A747-R752 WeakPolarHBondContact O-CD 3.18Å
748	P	95.7	Very high	95.7	Very high	72 Å²	72	67.5 Å²	67.5	47%	0.468	34%	0.335	S	S	.	.			trans	-51.3	137.3	-179	-27.9	34.7	0	0	0	112.7	K750 L751 R752	P748-K750 VanDerWaalsContact C-N 3.26Å; P748-K750 PolarHBondContact O-N 3.43Å; P748-K750 VanDerWaalsContact O-N 3.14Å; P748-L751 HydrophobicContact CB-CB 4.39Å; P748-L751 WeakPolarHBondContact O-CA 2.69Å; P748-L751 WeakPolarHBondContact O-CB 3.37Å; P748-L751 PolarHBondContact O-N 3.31Å; P748-R752 PolarHBondContact O-N 2.92Å; P748-R752 VanDerWaalsContact O-N 3.08Å
749	I	95	Very high	95.7	Very high	135 Å²	135	66.9 Å²	66.9	69%	0.692	33%	0.331	S	S	*	.	H	α-helix	trans	-52.2	-44.2	-175.5	-62.9	171.4	0	0	0	111.6	A747 L751 R752 V753	A747-I749 PolarHBondContact O-N 2.79Å; I749-L751 VanDerWaalsContact C-N 3.29Å; I749-L751 PolarHBondContact O-N 3.46Å; I749-R752 PolarHBondContact O-N 3.21Å; I749-V753 HydrophobicContact CG2-CG2 4.29Å; I749-V753 WeakPolarHBondContact O-CG2 3.37Å; I749-V753 PolarHBondContact O-N 2.78Å
750	K	95.5	Very high	95.8	Very high	167 Å²	167	62.8 Å²	62.8	73%	0.726	32%	0.317	S	S	*	.	H	α-helix	trans	-62.2	-34.2	179.2	-63.9	-174.1	177	-179.1	0	113	V731 P748 L754	V731-K750 HydrophobicContact CG2-CB 3.81Å; P748-K750 VanDerWaalsContact C-N 3.26Å; P748-K750 PolarHBondContact O-N 3.43Å; P748-K750 VanDerWaalsContact O-N 3.14Å; K750-L754 PolarHBondContact O-N 2.91Å; K750-L754 VanDerWaalsContact O-N 3.16Å
751	L	96.8	Very high	95.8	Very high	10 Å²	10	62.9 Å²	62.9	5%	0.052	32%	0.317	C	S	.	.	H	α-helix	trans	-68.7	-45.5	174.5	-178.7	59	0	0	0	111	V731 Y735 V740 A743 A747 P748 I749 V753 L754 Q755	V731-L751 HydrophobicContact CG1-CB 4.24Å; V731-L751 HydrophobicContact CG1-CD1 3.8Å; Y735-L751 HydrophobicContact CD1-CD2 4.17Å; Y735-L751 HydrophobicContact CD2-CD1 3.82Å; Y735-L751 HydrophobicContact CD2-CD2 4.45Å; Y735-L751 HydrophobicContact CE1-CD2 4.16Å; Y735-L751 HydrophobicContact CE2-CD1 4.4Å; Y735-L751 HydrophobicContact CE2-CD2 4.44Å; Y735-L751 HydrophobicContact CG-CD1 3.9Å; Y735-L751 HydrophobicContact CG-CD2 4.32Å; V740-L751 HydrophobicContact CB-CD1 4.25Å; V740-L751 HydrophobicContact CG2-CD1 3.72Å; A743-L751 HydrophobicContact CB-CD2 4.01Å; A743-L751 HydrophobicContact CB-CG 3.92Å; A747-L751 HydrophobicContact CB-CD2 4.29Å; P748-L751 HydrophobicContact CB-CB 4.39Å; P748-L751 WeakPolarHBondContact O-CA 2.69Å; P748-L751 WeakPolarHBondContact O-CB 3.37Å; P748-L751 PolarHBondContact O-N 3.31Å; I749-L751 VanDerWaalsContact C-N 3.29Å; I749-L751 PolarHBondContact O-N 3.46Å; L751-V753 VanDerWaalsContact C-N 3.31Å; L751-V753 PolarHBondContact O-N 3.16Å; L751-L754 PolarHBondContact O-N 3.22Å; L751-Q755 PolarHBondContact O-N 2.82Å
752	R	96.1	Very high	95.8	Very high	97 Å²	97	62.8 Å²	62.8	37%	0.366	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-34.7	175.5	-69.7	-176.5	55.5	-154.4	-12.5	113	R745 A747 P748 I749 Q755 N756	R745-R752 WeakPolarHBondContact O-CD 3.44Å; R745-R752 PolarHBondContact O-NH1 2.96Å; A747-R752 HydrophobicContact CB-CG 4.18Å; A747-R752 WeakPolarHBondContact O-CD 3.18Å; P748-R752 PolarHBondContact O-N 2.92Å; P748-R752 VanDerWaalsContact O-N 3.08Å; I749-R752 PolarHBondContact O-N 3.21Å; R752-Q755 PolarHBondContact O-N 2.74Å; R752-N756 WeakPolarHBondContact O-CB 3.2Å; R752-N756 VanDerWaalsContact O-CG 3.28Å; R752-N756 PolarHBondContact O-N 3.43Å; R752-N756 PolarHBondContact O-ND2 3.32Å
753	V	96.4	Very high	95.9	Very high	82 Å²	82	63.6 Å²	63.6	50%	0.497	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-46.1	172.8	169.3	0	0	0	0	110.5	I749 L751 N756 R757	I749-V753 HydrophobicContact CG2-CG2 4.29Å; I749-V753 WeakPolarHBondContact O-CG2 3.37Å; I749-V753 PolarHBondContact O-N 2.78Å; L751-V753 VanDerWaalsContact C-N 3.31Å; L751-V753 PolarHBondContact O-N 3.16Å; V753-N756 PolarHBondContact O-N 3.24Å; V753-R757 VanDerWaalsContact O-CG 3.3Å; V753-R757 WeakPolarHBondContact O-CG 3.22Å; V753-R757 PolarHBondContact O-N 3.32Å
754	L	97.4	Very high	96.1	Very high	8 Å²	8	63 Å²	63	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-44	176.6	-179.3	60.6	0	0	0	111.8	Y721 Q724 V731 A732 V740 K750 L751 N756 R757 C758	Y721-L754 HydrophobicContact CD2-CD2 4.45Å; Q724-L754 HydrophobicContact CB-CD1 4.27Å; Q724-L754 HydrophobicContact CG-CD1 3.81Å; V731-L754 HydrophobicContact CB-CD2 4.1Å; V731-L754 HydrophobicContact CG1-CB 4.28Å; V731-L754 HydrophobicContact CG1-CD2 3.78Å; A732-L754 HydrophobicContact CB-CD2 3.81Å; V740-L754 HydrophobicContact CG1-CB 4.41Å; V740-L754 HydrophobicContact CG1-CD2 4.12Å; V740-L754 HydrophobicContact CG1-CG 3.88Å; V740-L754 HydrophobicContact CG2-CD2 3.92Å; K750-L754 PolarHBondContact O-N 2.91Å; K750-L754 VanDerWaalsContact O-N 3.16Å; L751-L754 PolarHBondContact O-N 3.22Å; L754-N756 PolarHBondContact O-N 2.8Å; L754-R757 PolarHBondContact O-N 2.94Å; L754-C758 PolarHBondContact O-N 3.01Å; L754-C758 PolarHBondContact O-SG 3.12Å
755	Q	97.9	Very high	96.3	Very high	24 Å²	24	60.8 Å²	60.8	11%	0.112	29%	0.29	C	S	.	.	H	α-helix	trans	-53.2	-53.6	173.2	-179.8	-172.1	37	0	0	110.8	V740 I741 A743 L751 R752 R757 C758 L759	V740-Q755 HydrophobicContact CG1-CB 4.26Å; V740-Q755 VanDerWaalsContact O-CB 3.24Å; V740-Q755 WeakPolarHBondContact O-CB 3.49Å; V740-Q755 WeakPolarHBondContact O-CG 3.19Å; I741-Q755 PolarHBondContact O-NE2 3.14Å; A743-Q755 PolarHBondContact O-NE2 3.28Å; A743-Q755 PolarHBondContact O-OE1 3.03Å; L751-Q755 PolarHBondContact O-N 2.82Å; R752-Q755 PolarHBondContact O-N 2.74Å; Q755-R757 VanDerWaalsContact C-N 3.32Å; Q755-R757 PolarHBondContact O-N 2.92Å; Q755-C758 WeakPolarHBondContact O-CA 3.27Å; Q755-C758 WeakPolarHBondContact O-CB 3.38Å; Q755-C758 PolarHBondContact O-N 3.37Å; Q755-L759 HydrophobicContact CG-CD1 3.76Å; Q755-L759 HydrophobicContact CG-CG 4.29Å; Q755-L759 WeakPolarHBondContact O-CG 3.4Å; Q755-L759 PolarHBondContact O-N 3.12Å
756	N	96.3	Very high	96.7	Very high	75 Å²	75	53 Å²	53	40%	0.401	27%	0.267	S	S	.	.	H	α-helix	trans	-58.4	-42.4	179.5	-76.4	-21.5	0	0	0	112	R752 V753 L754 C758 L759 V760 P761	R752-N756 WeakPolarHBondContact O-CB 3.2Å; R752-N756 VanDerWaalsContact O-CG 3.28Å; R752-N756 PolarHBondContact O-N 3.43Å; R752-N756 PolarHBondContact O-ND2 3.32Å; V753-N756 PolarHBondContact O-N 3.24Å; L754-N756 PolarHBondContact O-N 2.8Å; N756-C758 VanDerWaalsContact C-N 3.29Å; N756-C758 PolarHBondContact O-N 2.78Å; N756-L759 PolarHBondContact O-N 3.29Å; N756-V760 HydrophobicContact CB-CG2 4.21Å; N756-V760 VanDerWaalsContact O-CB 3.26Å; N756-V760 WeakPolarHBondContact O-CB 3.48Å; N756-V760 WeakPolarHBondContact O-CG2 3.34Å; N756-V760 PolarHBondContact O-N 3.1Å; N756-P761 WeakPolarHBondContact O-CD 3.32Å
757	R	96.9	Very high	97.1	Very high	89 Å²	89	46 Å²	46	34%	0.336	23%	0.23	S	C	.	.	H	α-helix	trans	-67.4	-28.9	177.7	-66.7	-69.1	-64.4	166.6	4.9	112.9	D689 R716 V753 L754 Q755 P761	D689-R757 IonicContact OD2-NH1 2.69Å; R716-R757 PolarHBondContact NH1-O 2.89Å; V753-R757 VanDerWaalsContact O-CG 3.3Å; V753-R757 WeakPolarHBondContact O-CG 3.22Å; V753-R757 PolarHBondContact O-N 3.32Å; L754-R757 PolarHBondContact O-N 2.94Å; Q755-R757 VanDerWaalsContact C-N 3.32Å; Q755-R757 PolarHBondContact O-N 2.92Å; R757-P761 WeakPolarHBondContact O-CD 3.08Å
758	C	97.9	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-71.9	-50.6	171	-62.4	0	0	0	0	111.2	R716 A717 L754 Q755 N756	R716-C758 PolarHBondContact NH1-O 3.25Å; A717-C758 HydrophobicContact CB-CB 4.18Å; A717-C758 VanDerWaalsContact CB-O 3.31Å; A717-C758 WeakPolarHBondContact CB-O 3.41Å; L754-C758 PolarHBondContact O-N 3.01Å; L754-C758 PolarHBondContact O-SG 3.12Å; Q755-C758 WeakPolarHBondContact O-CA 3.27Å; Q755-C758 WeakPolarHBondContact O-CB 3.38Å; Q755-C758 PolarHBondContact O-N 3.37Å; N756-C758 VanDerWaalsContact C-N 3.29Å; N756-C758 PolarHBondContact O-N 2.78Å
759	L	98.3	Very high	97.3	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-87.3	-51.3	-165.8	-60.7	-175.6	0	0	0	114.2	A717 I741 Q755 N756 G762 L855 Y858 Y859	A717-L759 HydrophobicContact CB-CD2 4.47Å; I741-L759 HydrophobicContact CB-CD2 4.29Å; I741-L759 HydrophobicContact CG2-CD2 3.97Å; Q755-L759 HydrophobicContact CG-CD1 3.76Å; Q755-L759 HydrophobicContact CG-CG 4.29Å; Q755-L759 WeakPolarHBondContact O-CG 3.4Å; Q755-L759 PolarHBondContact O-N 3.12Å; N756-L759 PolarHBondContact O-N 3.29Å; L759-G762 WeakPolarHBondContact O-CA 3.49Å; L759-G762 PolarHBondContact O-N 3.17Å; L759-L855 HydrophobicContact CD2-CD2 3.44Å; L759-L855 VanDerWaalsContact CD2-CD2 3.44Å; L759-Y858 HydrophobicContact CB-CE1 4.04Å; L759-Y858 HydrophobicContact CD1-CE1 4.18Å; L759-Y858 HydrophobicContact CD1-CE2 4.32Å; L759-Y858 HydrophobicContact CD2-CE1 4.34Å; L759-Y858 HydrophobicContact CG-CE1 4.42Å; L759-Y859 WeakPolarHBondContact CA-OH 3.21Å; L759-Y859 PolarHBondContact O-OH 3.26Å
760	V	97.9	Very high	97.4	Very high	39 Å²	39	40.9 Å²	40.9	24%	0.236	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-58.9	-45.3	-168.5	173.9	0	0	0	0	112.7	N756 G762 W763 H767	N756-V760 HydrophobicContact CB-CG2 4.21Å; N756-V760 VanDerWaalsContact O-CB 3.26Å; N756-V760 WeakPolarHBondContact O-CB 3.48Å; N756-V760 WeakPolarHBondContact O-CG2 3.34Å; N756-V760 PolarHBondContact O-N 3.1Å; V760-G762 PolarHBondContact O-N 3.48Å; V760-W763 HydrophobicContact CB-CE3 4.48Å; V760-W763 HydrophobicContact CG1-CD2 4.25Å; V760-W763 HydrophobicContact CG1-CE3 3.82Å; V760-W763 HydrophobicContact CG1-CH2 4.49Å; V760-W763 HydrophobicContact CG1-CZ3 3.95Å; V760-W763 HydrophobicContact CG2-CH2 3.91Å; V760-W763 HydrophobicContact CG2-CZ2 4Å; V760-W763 HydrophobicContact CG2-CZ3 4.2Å; V760-W763 VanDerWaalsContact O-CB 3.29Å; V760-W763 WeakPolarHBondContact O-CB 3.4Å; V760-W763 VanDerWaalsContact O-CG 3.24Å; V760-W763 PolarHBondContact O-N 3.47Å; V760-H767 PolarHBondContact O-NE2 3.28Å
761	P	98	Very high	97.6	Very high	2 Å²	2	33 Å²	33	1%	0.013	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-68.6	-4.7	-179.9	-13.4	27.3	0	0	0	114	D689 R716 N756 R757 W763 Y764	D689-P761 HydrophobicContact CB-CB 3.92Å; D689-P761 HydrophobicContact CB-CG 4.37Å; D689-P761 WeakPolarHBondContact OD2-CG 3.36Å; R716-P761 VanDerWaalsContact CZ-CB 3.44Å; R716-P761 VanDerWaalsContact NH2-CB 3.34Å; N756-P761 WeakPolarHBondContact O-CD 3.32Å; R757-P761 WeakPolarHBondContact O-CD 3.08Å; P761-W763 VanDerWaalsContact C-N 3.33Å; P761-Y764 WeakPolarHBondContact O-CD1 3.37Å; P761-Y764 WeakPolarHBondContact O-CE1 3.32Å
762	G	98.1	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-79.7	-8.1	168	0	0	0	0	0	114.1	L759 V760 Y764	L759-G762 WeakPolarHBondContact O-CA 3.49Å; L759-G762 PolarHBondContact O-N 3.17Å; V760-G762 PolarHBondContact O-N 3.48Å; G762-Y764 PolarHBondContact O-N 3.41Å
763	W	98.3	Very high	97.5	Very high	70 Å²	70	36 Å²	36	27%	0.265	18%	0.181	S	C	.	.			trans	-76.9	61	176.1	-58.5	-16.5	0	0	0	111.3	V760 P761 A765 V766 H767 Y858 Y859 H862	V760-W763 HydrophobicContact CB-CE3 4.48Å; V760-W763 HydrophobicContact CG1-CD2 4.25Å; V760-W763 HydrophobicContact CG1-CE3 3.82Å; V760-W763 HydrophobicContact CG1-CH2 4.49Å; V760-W763 HydrophobicContact CG1-CZ3 3.95Å; V760-W763 HydrophobicContact CG2-CH2 3.91Å; V760-W763 HydrophobicContact CG2-CZ2 4Å; V760-W763 HydrophobicContact CG2-CZ3 4.2Å; V760-W763 VanDerWaalsContact O-CB 3.29Å; V760-W763 WeakPolarHBondContact O-CB 3.4Å; V760-W763 VanDerWaalsContact O-CG 3.24Å; V760-W763 PolarHBondContact O-N 3.47Å; P761-W763 VanDerWaalsContact C-N 3.33Å; W763-A765 VanDerWaalsContact C-N 3.3Å; W763-A765 PolarHBondContact O-N 3.23Å; W763-A765 VanDerWaalsContact O-N 3.16Å; W763-V766 HydrophobicContact CB-CB 4.25Å; W763-V766 HydrophobicContact CB-CG2 4.2Å; W763-V766 WeakPolarHBondContact O-CB 3.48Å; W763-V766 PolarHBondContact O-N 3.15Å; W763-V766 VanDerWaalsContact O-N 3.08Å; W763-H767 PolarHBondContact O-CD2 2.78Å; W763-H767 PolarHBondContact O-N 2.79Å; W763-Y858 VanDerWaalsContact CZ2-OH 3.27Å; W763-Y858 WeakPolarHBondContact CZ2-OH 3.35Å; W763-Y858 AromaticContact NE1-CE1 3.7Å; W763-Y858 AromaticContact NE1-CZ 3.73Å; W763-Y858 PolarHBondContact NE1-OH 3.38Å; W763-Y858 VanDerWaalsContact NE1-OH 3.12Å; W763-Y859 AromaticContact CD1-CE1 3.81Å; W763-H862 AromaticContact CD1-CD2 3.69Å; W763-H862 AromaticContact CD1-CE1 3.54Å; W763-H862 AromaticContact CD1-CG 3.95Å; W763-H862 AromaticContact CD1-ND1 3.86Å; W763-H862 AromaticContact CD1-NE2 3.41Å; W763-H862 AromaticContact CD2-CE1 3.96Å; W763-H862 AromaticContact CE2-NE2 3.87Å; W763-H862 AromaticContact CG-CE1 3.66Å; W763-H862 AromaticContact CG-ND1 3.98Å; W763-H862 AromaticContact CG-NE2 3.97Å; W763-H862 AromaticContact NE1-CD2 3.92Å; W763-H862 AromaticContact NE1-CE1 3.81Å; W763-H862 AromaticContact NE1-NE2 3.36Å; W763-H862 PolarHBondContact NE1-NE2 3Å
764	Y	98.6	Very high	97.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-57.2	-38.4	-165.6	-58.7	-35	0	0	0	114	P619 F688 L710 I711 P713 P761 G762 H767 L768 L866 W880	P619-Y764 HydrophobicContact CG-CD1 4.34Å; P619-Y764 HydrophobicContact CG-CE1 3.81Å; F688-Y764 AromaticContact CE1-CD1 3.83Å; F688-Y764 HydrophobicContact CE1-CD1 3.83Å; F688-Y764 AromaticContact CZ-CD1 3.98Å; F688-Y764 HydrophobicContact CZ-CD1 3.98Å; L710-Y764 HydrophobicContact CB-CD2 4.37Å; L710-Y764 HydrophobicContact CB-CE2 4.23Å; L710-Y764 HydrophobicContact CD1-CD2 4.09Å; L710-Y764 HydrophobicContact CD1-CG 4.22Å; L710-Y764 HydrophobicContact CD2-CD1 3.84Å; L710-Y764 HydrophobicContact CD2-CD2 4.1Å; L710-Y764 HydrophobicContact CD2-CE1 4.1Å; L710-Y764 HydrophobicContact CD2-CE2 4.35Å; L710-Y764 HydrophobicContact CD2-CG 3.83Å; L710-Y764 HydrophobicContact CG-CD2 4.42Å; I711-Y764 VanDerWaalsContact O-CE2 3.22Å; I711-Y764 WeakPolarHBondContact O-CE2 3.45Å; I711-Y764 PolarHBondContact O-OH 2.97Å; P713-Y764 HydrophobicContact CB-CE2 3.97Å; P713-Y764 HydrophobicContact CG-CE2 4.44Å; P761-Y764 WeakPolarHBondContact O-CD1 3.37Å; P761-Y764 WeakPolarHBondContact O-CE1 3.32Å; G762-Y764 PolarHBondContact O-N 3.41Å; Y764-H767 PolarHBondContact O-N 3.33Å; Y764-L768 VanDerWaalsContact O-CB 3.32Å; Y764-L768 WeakPolarHBondContact O-CB 3.29Å; Y764-L768 WeakPolarHBondContact O-CG 3.29Å; Y764-L768 PolarHBondContact O-N 2.68Å; Y764-L866 HydrophobicContact CD2-CD2 3.79Å; Y764-L866 HydrophobicContact CG-CD2 4.39Å; Y764-W880 HydrophobicContact CD2-CH2 4.03Å; Y764-W880 HydrophobicContact CD2-CZ2 4.11Å; Y764-W880 AromaticContact CE2-CH2 3.84Å; Y764-W880 HydrophobicContact CE2-CH2 3.84Å; Y764-W880 AromaticContact CE2-CZ2 3.81Å; Y764-W880 HydrophobicContact CE2-CZ2 3.81Å
765	A	98.1	Very high	97.6	Very high	7 Å²	7	36.1 Å²	36.1	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-46.8	177.9	0	0	0	0	0	112	W763 H767 L768 E769 E865 L866 L869	W763-A765 VanDerWaalsContact C-N 3.3Å; W763-A765 PolarHBondContact O-N 3.23Å; W763-A765 VanDerWaalsContact O-N 3.16Å; A765-H767 VanDerWaalsContact C-N 3.33Å; A765-H767 PolarHBondContact O-N 2.87Å; A765-L768 PolarHBondContact O-N 2.86Å; A765-E769 WeakPolarHBondContact O-CG 3.26Å; A765-E769 PolarHBondContact O-N 3.45Å; A765-E865 HydrophobicContact CB-CB 4.16Å; A765-L866 HydrophobicContact CB-CB 4.2Å; A765-L869 HydrophobicContact CB-CD2 4.28Å
766	V	97	Very high	97.5	Very high	61 Å²	61	40.6 Å²	40.6	37%	0.37	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-44.5	-179.7	176.9	0	0	0	0	111.1	W763 R770	W763-V766 HydrophobicContact CB-CB 4.25Å; W763-V766 HydrophobicContact CB-CG2 4.2Å; W763-V766 WeakPolarHBondContact O-CB 3.48Å; W763-V766 PolarHBondContact O-N 3.15Å; W763-V766 VanDerWaalsContact O-N 3.08Å; V766-R770 PolarHBondContact O-N 3.15Å
767	H	98.4	Very high	97.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-70.2	-42.3	179.1	-62.3	-52.2	0	0	0	111.7	F688 V760 W763 Y764 A765 E769 R770 W771	F688-H767 HydrophobicContact CD1-CB 3.84Å; F688-H767 HydrophobicContact CE1-CB 3.41Å; F688-H767 VanDerWaalsContact CE1-CB 3.41Å; F688-H767 AromaticContact CE1-CD2 3.64Å; F688-H767 AromaticContact CE1-CG 3.77Å; F688-H767 HydrophobicContact CE2-CB 4.19Å; F688-H767 HydrophobicContact CG-CB 4.42Å; F688-H767 HydrophobicContact CZ-CB 3.6Å; V760-H767 PolarHBondContact O-NE2 3.28Å; W763-H767 PolarHBondContact O-CD2 2.78Å; W763-H767 PolarHBondContact O-N 2.79Å; Y764-H767 PolarHBondContact O-N 3.33Å; A765-H767 VanDerWaalsContact C-N 3.33Å; A765-H767 PolarHBondContact O-N 2.87Å; H767-E769 PolarHBondContact O-N 2.96Å; H767-R770 PolarHBondContact CE1-NH2 3.21Å; H767-R770 PolarHBondContact ND1-NH1 3.06Å; H767-R770 PolarHBondContact ND1-NH2 3Å; H767-R770 WeakPolarHBondContact O-CB 3.41Å; H767-R770 PolarHBondContact O-N 3.4Å; H767-W771 PolarHBondContact O-N 3.48Å
768	L	98.3	Very high	97.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-39.7	176.8	-83.6	172.4	0	0	0	112.9	F688 T708 L710 Y764 A765 R770 W771 L772 V782 L866 L869 L870	F688-L768 HydrophobicContact CE2-CD2 4.19Å; F688-L768 HydrophobicContact CE2-CG 4.04Å; F688-L768 HydrophobicContact CZ-CG 4.36Å; T708-L768 HydrophobicContact CG2-CD2 3.98Å; L710-L768 HydrophobicContact CD1-CD1 4.42Å; Y764-L768 VanDerWaalsContact O-CB 3.32Å; Y764-L768 WeakPolarHBondContact O-CB 3.29Å; Y764-L768 WeakPolarHBondContact O-CG 3.29Å; Y764-L768 PolarHBondContact O-N 2.68Å; A765-L768 PolarHBondContact O-N 2.86Å; L768-R770 VanDerWaalsContact C-N 3.27Å; L768-R770 PolarHBondContact O-N 3.35Å; L768-W771 PolarHBondContact O-N 3.12Å; L768-W771 VanDerWaalsContact O-N 3.09Å; L768-L772 WeakPolarHBondContact O-CG 3.42Å; L768-L772 PolarHBondContact O-N 3.48Å; L768-V782 HydrophobicContact CD1-CG2 4.27Å; L768-V782 HydrophobicContact CD2-CG2 4.31Å; L768-L866 HydrophobicContact CD1-CD1 3.79Å; L768-L869 HydrophobicContact CB-CD2 3.61Å; L768-L869 HydrophobicContact CD1-CD2 4.32Å; L768-L870 HydrophobicContact CD1-CD2 4.35Å
769	E	96.8	Very high	97.5	Very high	82 Å²	82	39.5 Å²	39.5	38%	0.383	21%	0.205	S	C	.	.	H	α-helix	trans	-60.2	-37.9	175.9	-75.8	-163.6	162.1	0	0	111.9	A765 H767 W771 L772 N773 L869 R872	A765-E769 WeakPolarHBondContact O-CG 3.26Å; A765-E769 PolarHBondContact O-N 3.45Å; H767-E769 PolarHBondContact O-N 2.96Å; E769-W771 VanDerWaalsContact C-N 3.32Å; E769-W771 PolarHBondContact O-N 2.83Å; E769-L772 PolarHBondContact O-N 2.83Å; E769-N773 PolarHBondContact O-N 2.9Å; E769-N773 PolarHBondContact O-ND2 3.03Å; E769-N773 PolarHBondContact O-OD1 2.79Å; E769-L869 HydrophobicContact CG-CD1 3.89Å; E769-L869 HydrophobicContact CG-CD2 3.89Å; E769-R872 IonicContact OE1-CZ 3.83Å; E769-R872 IonicContact OE1-NH2 2.72Å; E769-R872 PolarHBondContact OE1-NH2 2.96Å
770	R	97.3	Very high	97.5	Very high	37 Å²	37	39.2 Å²	39.2	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-41.8	172.7	-79.2	-178.4	-94.1	163.2	-42	112.9	D689 S690 E691 V766 H767 L768 H774	D689-R770 PolarHBondContact O-NH1 3.45Å; S690-R770 PolarHBondContact O-NH1 3.23Å; E691-R770 VanDerWaalsContact CD-CZ 3.46Å; E691-R770 IonicContact OE1-CZ 3.57Å; E691-R770 IonicContact OE1-NH1 3.85Å; E691-R770 PolarHBondContact OE1-NH1 3.48Å; E691-R770 IonicContact OE1-NH2 3.96Å; E691-R770 PolarHBondContact OE1-NH2 3.08Å; E691-R770 WeakPolarHBondContact OE2-CD 3.41Å; E691-R770 IonicContact OE2-CZ 3.54Å; E691-R770 VanDerWaalsContact OE2-CZ 3.24Å; E691-R770 IonicContact OE2-NE 3.67Å; E691-R770 PolarHBondContact OE2-NE 3.23Å; E691-R770 IonicContact OE2-NH1 3.19Å; E691-R770 IonicContact OE2-NH2 3.39Å; E691-R770 PolarHBondContact OE2-NH2 3.28Å; V766-R770 PolarHBondContact O-N 3.15Å; H767-R770 PolarHBondContact CE1-NH2 3.21Å; H767-R770 PolarHBondContact ND1-NH1 3.06Å; H767-R770 PolarHBondContact ND1-NH2 3Å; H767-R770 WeakPolarHBondContact O-CB 3.41Å; H767-R770 PolarHBondContact O-N 3.4Å; L768-R770 VanDerWaalsContact C-N 3.27Å; L768-R770 PolarHBondContact O-N 3.35Å; R770-H774 PolarHBondContact O-CD2 3.48Å
771	W	98.4	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69	-38.3	176	-77.1	85.7	0	0	0	112	I617 Y687 F688 A693 A694 A697 I706 H767 L768 E769 N773 H774 Y775 L780	I617-W771 HydrophobicContact CB-CH2 4.29Å; I617-W771 HydrophobicContact CB-CZ2 4.02Å; I617-W771 HydrophobicContact CD1-CD2 3.63Å; I617-W771 VanDerWaalsContact CD1-CE2 3.46Å; I617-W771 HydrophobicContact CD1-CE3 4.21Å; I617-W771 HydrophobicContact CD1-CG 3.94Å; I617-W771 HydrophobicContact CD1-CH2 4.49Å; I617-W771 HydrophobicContact CD1-CZ2 3.95Å; I617-W771 HydrophobicContact CG2-CH2 3.48Å; I617-W771 VanDerWaalsContact CG2-CH2 3.48Å; I617-W771 HydrophobicContact CG2-CZ2 3.74Å; I617-W771 HydrophobicContact CG2-CZ3 3.92Å; Y687-W771 WeakPolarHBondContact O-CZ2 3.34Å; F688-W771 PolarHBondContact O-NE1 3.2Å; A693-W771 HydrophobicContact CB-CZ2 4.2Å; A694-W771 HydrophobicContact CB-CD2 3.8Å; A694-W771 HydrophobicContact CB-CE3 4.1Å; A694-W771 HydrophobicContact CB-CG 4.08Å; A694-W771 HydrophobicContact CB-CZ2 4.34Å; A694-W771 HydrophobicContact CB-CZ3 4.49Å; A697-W771 HydrophobicContact CB-CH2 4.18Å; A697-W771 HydrophobicContact CB-CZ3 4.21Å; I706-W771 HydrophobicContact CD1-CE3 4.27Å; I706-W771 HydrophobicContact CD1-CZ3 3.82Å; I706-W771 HydrophobicContact CG1-CE3 4.26Å; I706-W771 HydrophobicContact CG1-CZ3 4.32Å; I706-W771 HydrophobicContact CG2-CE3 3.96Å; I706-W771 HydrophobicContact CG2-CZ3 4.19Å; H767-W771 PolarHBondContact O-N 3.48Å; L768-W771 PolarHBondContact O-N 3.12Å; L768-W771 VanDerWaalsContact O-N 3.09Å; E769-W771 VanDerWaalsContact C-N 3.32Å; E769-W771 PolarHBondContact O-N 2.83Å; W771-N773 VanDerWaalsContact C-N 3.27Å; W771-N773 PolarHBondContact O-N 3.41Å; W771-H774 PolarHBondContact O-N 2.94Å; W771-H774 VanDerWaalsContact O-N 3.1Å; W771-Y775 AromaticContact CE3-CD2 3.85Å; W771-Y775 HydrophobicContact CE3-CD2 3.85Å; W771-Y775 AromaticContact CE3-CE2 3.96Å; W771-Y775 HydrophobicContact CE3-CE2 3.96Å; W771-Y775 HydrophobicContact CZ3-CD2 4.2Å; W771-Y775 AromaticContact CZ3-CE2 3.82Å; W771-Y775 HydrophobicContact CZ3-CE2 3.82Å; W771-Y775 PolarHBondContact O-N 3.15Å; W771-L780 HydrophobicContact CB-CD1 4.45Å; W771-L780 HydrophobicContact CB-CD2 4.24Å
772	L	96.8	Very high	97.6	Very high	44 Å²	44	38.7 Å²	38.7	23%	0.23	20%	0.199	C	C	.	.	H	α-helix	trans	-68.7	-22.4	177.8	-72.7	164.9	0	0	0	113.9	L768 E769 H774 L780 L869 M873	L768-L772 WeakPolarHBondContact O-CG 3.42Å; L768-L772 PolarHBondContact O-N 3.48Å; E769-L772 PolarHBondContact O-N 2.83Å; L772-H774 PolarHBondContact O-N 3.43Å; L772-L780 HydrophobicContact CD2-CD1 3.61Å; L772-L780 HydrophobicContact CG-CD1 4.08Å; L772-L869 HydrophobicContact CD1-CD1 3.7Å; L772-L869 HydrophobicContact CD1-CD2 4.32Å; L772-L869 HydrophobicContact CD1-CG 4.26Å; L772-M873 HydrophobicContact CD1-CE 4.41Å; L772-M873 HydrophobicContact CD1-CG 3.97Å; L772-M873 HydrophobicContact CD1-SD 3.74Å; L772-M873 HydrophobicContact CD2-CE 4.14Å; L772-M873 HydrophobicContact CD2-CG 4.3Å; L772-M873 HydrophobicContact CD2-SD 4.41Å
773	N	95.5	Very high	97.6	Very high	126 Å²	126	39 Å²	39	67%	0.674	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.8	171.4	-69.1	-23.1	0	0	0	112.8	E769 W771	E769-N773 PolarHBondContact O-N 2.9Å; E769-N773 PolarHBondContact O-ND2 3.03Å; E769-N773 PolarHBondContact O-OD1 2.79Å; W771-N773 VanDerWaalsContact C-N 3.27Å; W771-N773 PolarHBondContact O-N 3.41Å
774	H	97.4	Very high	97.6	Very high	89 Å²	89	36.6 Å²	36.6	41%	0.412	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-26.6	-175	-65.4	-65.9	0	0	0	114.2	A698 R770 W771 L772	A698-H774 HydrophobicContact CB-CB 3.69Å; R770-H774 PolarHBondContact O-CD2 3.48Å; W771-H774 PolarHBondContact O-N 2.94Å; W771-H774 VanDerWaalsContact O-N 3.1Å; L772-H774 PolarHBondContact O-N 3.43Å
775	Y	97.6	Very high	97.5	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.016	20%	0.195	C	C	.	.	S	Bend	trans	-119	139.6	178.5	-76.2	-85.6	0	0	0	110.8	A697 A698 L701 A704 I706 W771 Q779	A697-Y775 HydrophobicContact CB-CE2 4.39Å; A697-Y775 PolarHBondContact O-OH 2.87Å; A698-Y775 WeakPolarHBondContact CA-OH 3.4Å; A698-Y775 HydrophobicContact CB-CD2 4.29Å; A698-Y775 HydrophobicContact CB-CE2 3.72Å; A698-Y775 PolarHBondContact N-OH 3.24Å; L701-Y775 WeakPolarHBondContact O-CE1 3.25Å; L701-Y775 PolarHBondContact O-OH 3.13Å; A704-Y775 HydrophobicContact CB-CE1 4.39Å; I706-Y775 HydrophobicContact CD1-CD1 4.37Å; I706-Y775 HydrophobicContact CD1-CD2 4.39Å; I706-Y775 HydrophobicContact CD1-CE1 4.02Å; I706-Y775 HydrophobicContact CD1-CE2 4.02Å; I706-Y775 HydrophobicContact CG1-CD1 4Å; I706-Y775 HydrophobicContact CG1-CD2 4.15Å; I706-Y775 HydrophobicContact CG1-CE1 4.17Å; I706-Y775 HydrophobicContact CG1-CE2 4.29Å; I706-Y775 HydrophobicContact CG1-CG 3.99Å; W771-Y775 AromaticContact CE3-CD2 3.85Å; W771-Y775 HydrophobicContact CE3-CD2 3.85Å; W771-Y775 AromaticContact CE3-CE2 3.96Å; W771-Y775 HydrophobicContact CE3-CE2 3.96Å; W771-Y775 HydrophobicContact CZ3-CD2 4.2Å; W771-Y775 AromaticContact CZ3-CE2 3.82Å; W771-Y775 HydrophobicContact CZ3-CE2 3.82Å; W771-Y775 PolarHBondContact O-N 3.15Å; Y775-Q779 HydrophobicContact CD1-CB 4.28Å
776	H	96.7	Very high	97.3	Very high	118 Å²	118	40.2 Å²	40.2	55%	0.546	21%	0.21	S	C	.	.			trans	-64.1	146.6	173.4	-171.8	-95.1	0	0	0	110.6	S778 Q779	H776-S778 WeakPolarHBondContact ND1-CB 3.16Å; H776-S778 PolarHBondContact ND1-N 3.19Å; H776-S778 VanDerWaalsContact ND1-N 3.15Å; H776-S778 PolarHBondContact ND1-OG 2.7Å; H776-S778 PolarHBondContact O-N 2.96Å; H776-S778 VanDerWaalsContact O-N 3.09Å; H776-Q779 WeakPolarHBondContact O-CA 3.47Å; H776-Q779 WeakPolarHBondContact O-CB 3.24Å; H776-Q779 PolarHBondContact O-N 3.42Å
777	S	95.9	Very high	97.2	Very high	37 Å²	37	39.6 Å²	39.6	26%	0.259	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-55.9	-31.6	-178.6	60.4	0	0	0	0	113.2	Q779 L780	S777-Q779 PolarHBondContact O-N 2.97Å; S777-L780 PolarHBondContact O-N 3.19Å; S777-L780 VanDerWaalsContact O-N 3.1Å; S777-L780 VanDerWaalsContact O-O 3.13Å
778	S	96.6	Very high	97.1	Very high	69 Å²	69	39.9 Å²	39.9	48%	0.483	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-71.4	-11.8	175.4	72.1	0	0	0	0	115	K705 H776	K705-S778 PolarHBondContact NZ-O 3.49Å; H776-S778 WeakPolarHBondContact ND1-CB 3.16Å; H776-S778 PolarHBondContact ND1-N 3.19Å; H776-S778 VanDerWaalsContact ND1-N 3.15Å; H776-S778 PolarHBondContact ND1-OG 2.7Å; H776-S778 PolarHBondContact O-N 2.96Å; H776-S778 VanDerWaalsContact O-N 3.09Å
779	Q	98.2	Very high	96.9	Very high	36 Å²	36	45 Å²	45	17%	0.168	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-90.6	-6.9	170.1	-69.3	175.8	-95.3	0	0	112.3	P702 A704 K705 I706 Y775 H776 S777 F802	P702-Q779 PolarHBondContact O-NE2 3.32Å; A704-Q779 PolarHBondContact O-NE2 3.23Å; K705-Q779 CarbonylContact C-O 3.6Å; K705-Q779 HydrophobicContact CD-CB 4.48Å; I706-Q779 PolarHBondContact N-O 3Å; Y775-Q779 HydrophobicContact CD1-CB 4.28Å; H776-Q779 WeakPolarHBondContact O-CA 3.47Å; H776-Q779 WeakPolarHBondContact O-CB 3.24Å; H776-Q779 PolarHBondContact O-N 3.42Å; S777-Q779 PolarHBondContact O-N 2.97Å; Q779-F802 WeakPolarHBondContact O-CZ 3.3Å
780	L	98.4	Very high	96.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.2	-178.7	-82.8	140.7	0	0	0	111	I706 W771 L772 S777 M873 Q875	I706-L780 HydrophobicContact CB-CD2 3.67Å; I706-L780 HydrophobicContact CB-CG 3.93Å; I706-L780 HydrophobicContact CG1-CD2 4.43Å; I706-L780 HydrophobicContact CG1-CG 4.42Å; I706-L780 HydrophobicContact CG2-CD2 3.49Å; I706-L780 VanDerWaalsContact CG2-CD2 3.49Å; I706-L780 HydrophobicContact CG2-CG 4.32Å; I706-L780 CarbonylContact O-C 3.47Å; I706-L780 WeakPolarHBondContact O-CA 3.38Å; W771-L780 HydrophobicContact CB-CD1 4.45Å; W771-L780 HydrophobicContact CB-CD2 4.24Å; L772-L780 HydrophobicContact CD2-CD1 3.61Å; L772-L780 HydrophobicContact CG-CD1 4.08Å; S777-L780 PolarHBondContact O-N 3.19Å; S777-L780 VanDerWaalsContact O-N 3.1Å; S777-L780 VanDerWaalsContact O-O 3.13Å; L780-M873 HydrophobicContact CB-CE 4.07Å; L780-Q875 PolarHBondContact O-NE2 3.25Å
781	L	98.5	Very high	96.8	Very high	20 Å²	20	47 Å²	47	11%	0.105	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.3	171.1	178.5	66.7	0	0	0	109.7	I706 I707 T708 L783 I799 F802	I706-L781 PolarHBondContact O-N 2.96Å; I707-L781 WeakPolarHBondContact CA-O 3.32Å; I707-L781 HydrophobicContact CD1-CD2 4.47Å; I707-L781 HydrophobicContact CG1-CB 4.24Å; I707-L781 HydrophobicContact CG1-CD2 4.42Å; T708-L781 PolarHBondContact N-O 2.92Å; L781-L783 HydrophobicContact CD1-CD2 4.4Å; L781-L783 HydrophobicContact CD2-CD2 3.65Å; L781-L783 HydrophobicContact CD2-CG 4.42Å; L781-L783 HydrophobicContact CG-CD2 3.77Å; L781-L783 HydrophobicContact CG-CG 4.36Å; L781-I799 HydrophobicContact CD2-CG1 4.02Å; L781-F802 HydrophobicContact CB-CD1 3.89Å; L781-F802 HydrophobicContact CB-CD2 4.07Å; L781-F802 HydrophobicContact CB-CE1 3.69Å; L781-F802 HydrophobicContact CB-CE2 3.9Å; L781-F802 HydrophobicContact CB-CG 4.05Å; L781-F802 HydrophobicContact CB-CZ 3.68Å; L781-F802 HydrophobicContact CD2-CB 3.88Å; L781-F802 HydrophobicContact CD2-CD1 3.72Å; L781-F802 HydrophobicContact CD2-CE1 4.33Å; L781-F802 HydrophobicContact CD2-CG 3.8Å; L781-F802 HydrophobicContact CG-CD1 4.42Å; L781-F802 HydrophobicContact CG-CG 4.39Å
782	V	98.5	Very high	96.7	Very high	10 Å²	10	47 Å²	47	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.7	176.4	-177.1	0	0	0	0	108.6	T708 L710 L768 L870 M873 Q875	T708-V782 HydrophobicContact CG2-CB 4.25Å; T708-V782 HydrophobicContact CG2-CG1 4.19Å; T708-V782 HydrophobicContact CG2-CG2 3.87Å; L710-V782 HydrophobicContact CD1-CG1 3.54Å; L710-V782 HydrophobicContact CG-CG1 3.85Å; L768-V782 HydrophobicContact CD1-CG2 4.27Å; L768-V782 HydrophobicContact CD2-CG2 4.31Å; V782-L870 HydrophobicContact CB-CD2 4.05Å; V782-L870 HydrophobicContact CG1-CD2 3.99Å; V782-L870 HydrophobicContact CG2-CD2 3.76Å; V782-M873 HydrophobicContact CG2-CE 4.08Å; V782-Q875 HydrophobicContact CG2-CG 4.49Å
783	L	98.3	Very high	96.8	Very high	5 Å²	5	45 Å²	45	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	141.1	-179.9	-60.8	-179.2	0	0	0	111.2	L627 I707 T708 I709 L710 L781 G785 V795 I799	L627-L783 HydrophobicContact CD2-CD1 3.76Å; I707-L783 HydrophobicContact CG2-CD1 3.45Å; I707-L783 VanDerWaalsContact CG2-CD1 3.45Å; I707-L783 HydrophobicContact CG2-CG 3.93Å; T708-L783 WeakPolarHBondContact O-CB 3.27Å; T708-L783 PolarHBondContact O-N 2.93Å; I709-L783 HydrophobicContact CB-CB 4.45Å; I709-L783 HydrophobicContact CG1-CB 4.27Å; I709-L783 HydrophobicContact CG1-CD1 4.2Å; I709-L783 HydrophobicContact CG2-CB 4.31Å; L710-L783 PolarHBondContact N-O 3.4Å; L781-L783 HydrophobicContact CD1-CD2 4.4Å; L781-L783 HydrophobicContact CD2-CD2 3.65Å; L781-L783 HydrophobicContact CD2-CG 4.42Å; L781-L783 HydrophobicContact CG-CD2 3.77Å; L781-L783 HydrophobicContact CG-CG 4.36Å; L783-G785 PolarHBondContact O-N 2.89Å; L783-V795 HydrophobicContact CD1-CG1 4.03Å; L783-V795 HydrophobicContact CD2-CG1 4.02Å; L783-V795 HydrophobicContact CG-CG1 4.48Å; L783-I799 HydrophobicContact CD1-CD1 3.62Å; L783-I799 HydrophobicContact CD1-CG1 4.11Å; L783-I799 HydrophobicContact CD2-CG1 4.19Å
784	D	97.8	Very high	96.8	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	110.8	168.2	-175.9	-13.2	0	0	0	109.5	Q786 M787 L788 P878 S879	D784-Q786 VanDerWaalsContact C-N 3.26Å; D784-Q786 PolarHBondContact O-N 3.13Å; D784-Q786 WeakPolarHBondContact OD1-CB 3.38Å; D784-Q786 PolarHBondContact OD1-N 3.08Å; D784-M787 HydrophobicContact CB-CB 4.03Å; D784-M787 HydrophobicContact CB-CG 4.01Å; D784-M787 PolarHBondContact O-N 3.26Å; D784-M787 PolarHBondContact OD1-N 2.94Å; D784-M787 WeakPolarHBondContact OD2-CG 3.49Å; D784-L788 PolarHBondContact O-N 3.42Å; D784-P878 HydrophobicContact CB-CB 4.1Å; D784-P878 WeakPolarHBondContact OD2-CA 3.49Å; D784-S879 PolarHBondContact OD2-N 2.82Å; D784-S879 PolarHBondContact OD2-OG 3.31Å
785	G	96.6	Very high	96.8	Very high	4 Å²	4	36.4 Å²	36.4	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-69.9	-22.2	-179.2	0	0	0	0	0	113.5	L710 L783 L788 K789	L710-G785 PolarHBondContact O-N 3.06Å; L783-G785 PolarHBondContact O-N 2.89Å; G785-L788 PolarHBondContact O-N 3.05Å; G785-K789 PolarHBondContact O-N 3.2Å; G785-K789 VanDerWaalsContact O-N 3.11Å
786	Q	94.1	Very high	96.9	Very high	81 Å²	81	36.3 Å²	36.3	38%	0.379	19%	0.192	S	C	.	.	H	α-helix	trans	-69.6	-44.8	172.5	-175.9	63.6	3.8	0	0	109.9	D784 L788 K789 T790	D784-Q786 VanDerWaalsContact C-N 3.26Å; D784-Q786 PolarHBondContact O-N 3.13Å; D784-Q786 WeakPolarHBondContact OD1-CB 3.38Å; D784-Q786 PolarHBondContact OD1-N 3.08Å; Q786-L788 VanDerWaalsContact C-N 3.32Å; Q786-L788 PolarHBondContact O-N 3.42Å; Q786-K789 WeakPolarHBondContact O-CB 3.49Å; Q786-K789 PolarHBondContact O-N 3.21Å; Q786-T790 PolarHBondContact O-N 2.84Å; Q786-T790 PolarHBondContact O-OG1 2.78Å
787	M	96	Very high	96.9	Very high	47 Å²	47	33 Å²	33	23%	0.232	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-37.3	172.7	-70.8	-65.6	-64.8	0	0	112.3	D784 K789 T790 E791 V795	D784-M787 HydrophobicContact CB-CB 4.03Å; D784-M787 HydrophobicContact CB-CG 4.01Å; D784-M787 PolarHBondContact O-N 3.26Å; D784-M787 PolarHBondContact OD1-N 2.94Å; D784-M787 WeakPolarHBondContact OD2-CG 3.49Å; M787-K789 PolarHBondContact O-N 3.48Å; M787-T790 PolarHBondContact O-N 3.43Å; M787-E791 HydrophobicContact CE-CB 4.04Å; M787-E791 HydrophobicContact CE-CG 4.39Å; M787-E791 VanDerWaalsContact CE-OE2 3.29Å; M787-E791 WeakPolarHBondContact CE-OE2 3.09Å; M787-E791 CarbonylContact O-C 3.56Å; M787-E791 VanDerWaalsContact O-CA 3.32Å; M787-E791 WeakPolarHBondContact O-CA 3.39Å; M787-E791 PolarHBondContact O-N 3.01Å; M787-V795 HydrophobicContact CB-CG2 3.78Å
788	L	96.6	Very high	96.9	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-33.3	174.4	179.6	63.6	0	0	0	111.8	L627 F630 I709 D784 G785 Q786 P792 V795	L627-L788 HydrophobicContact CB-CD2 4.1Å; F630-L788 HydrophobicContact CD2-CD1 4.23Å; F630-L788 HydrophobicContact CE2-CD1 4.32Å; I709-L788 HydrophobicContact CD1-CD2 3.94Å; I709-L788 HydrophobicContact CG2-CD2 4.17Å; D784-L788 PolarHBondContact O-N 3.42Å; G785-L788 PolarHBondContact O-N 3.05Å; Q786-L788 VanDerWaalsContact C-N 3.32Å; Q786-L788 PolarHBondContact O-N 3.42Å; L788-P792 HydrophobicContact CD1-CB 4.25Å; L788-P792 WeakPolarHBondContact O-CB 3.43Å; L788-V795 HydrophobicContact CB-CG2 4.42Å; L788-V795 HydrophobicContact CD1-CB 4.44Å; L788-V795 HydrophobicContact CD1-CG1 4.17Å
789	K	94.1	Very high	97	Very high	107 Å²	107	33.2 Å²	33.2	47%	0.465	17%	0.166	S	C	.	.	H	α-helix	trans	-76.9	-39.7	177.9	-177.9	-177.7	173	-171.6	0	112.3	G785 Q786 M787 F823 W824	G785-K789 PolarHBondContact O-N 3.2Å; G785-K789 VanDerWaalsContact O-N 3.11Å; Q786-K789 WeakPolarHBondContact O-CB 3.49Å; Q786-K789 PolarHBondContact O-N 3.21Å; M787-K789 PolarHBondContact O-N 3.48Å; K789-F823 HydrophobicContact CD-CE1 4.06Å; K789-F823 HydrophobicContact CG-CD1 4.13Å; K789-F823 HydrophobicContact CG-CE1 3.96Å; K789-W824 VanDerWaalsContact O-CD1 3.28Å
790	T	94.9	Very high	96.9	Very high	62 Å²	62	31.8 Å²	31.8	38%	0.38	16%	0.159	S	C	.	.	H	α-helix	trans	-93.3	-39.4	-173.5	56.1	0	0	0	0	113.5	Q786 M787 W824	Q786-T790 PolarHBondContact O-N 2.84Å; Q786-T790 PolarHBondContact O-OG1 2.78Å; M787-T790 PolarHBondContact O-N 3.43Å; T790-W824 PolarHBondContact O-NE1 3.48Å
791	E	96.1	Very high	96.8	Very high	99 Å²	99	40.1 Å²	40.1	46%	0.463	20%	0.195	S	C	.	.			trans	-137.6	63.8	-176.5	-63	-168.9	174.1	0	0	112	M787 A793 S794 V795	M787-E791 HydrophobicContact CE-CB 4.04Å; M787-E791 HydrophobicContact CE-CG 4.39Å; M787-E791 VanDerWaalsContact CE-OE2 3.29Å; M787-E791 WeakPolarHBondContact CE-OE2 3.09Å; M787-E791 CarbonylContact O-C 3.56Å; M787-E791 VanDerWaalsContact O-CA 3.32Å; M787-E791 WeakPolarHBondContact O-CA 3.39Å; M787-E791 PolarHBondContact O-N 3.01Å; E791-A793 PolarHBondContact O-N 3.11Å; E791-S794 PolarHBondContact O-N 3.09Å; E791-S794 PolarHBondContact OE2-OG 3.06Å; E791-V795 PolarHBondContact O-N 2.78Å
792	P	97.1	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-32.9	-175.8	21.6	-32.9	0	0	0	113.6	F630 L788 S794 V795 M796 L815 W824	F630-P792 HydrophobicContact CD2-CB 4.12Å; F630-P792 HydrophobicContact CE2-CB 3.68Å; F630-P792 HydrophobicContact CE2-CG 4.4Å; F630-P792 HydrophobicContact CZ-CB 4.45Å; L788-P792 HydrophobicContact CD1-CB 4.25Å; L788-P792 WeakPolarHBondContact O-CB 3.43Å; P792-S794 PolarHBondContact O-N 2.96Å; P792-V795 WeakPolarHBondContact O-CB 3.29Å; P792-V795 PolarHBondContact O-N 3.28Å; P792-M796 WeakPolarHBondContact O-CG 3.35Å; P792-M796 PolarHBondContact O-N 3.43Å; P792-L815 HydrophobicContact CB-CD1 3.93Å; P792-L815 HydrophobicContact CG-CD1 3.88Å; P792-W824 VanDerWaalsContact CD-CD1 3.49Å; P792-W824 HydrophobicContact CG-CB 3.63Å; P792-W824 HydrophobicContact CG-CD2 3.76Å; P792-W824 HydrophobicContact CG-CE3 4.28Å; P792-W824 HydrophobicContact CG-CG 3.45Å; P792-W824 VanDerWaalsContact CG-CG 3.45Å
793	A	97.4	Very high	96.7	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-43.3	179.8	0	0	0	0	0	112.5	E791 V795 M796 D797 H812	E791-A793 PolarHBondContact O-N 3.11Å; A793-V795 VanDerWaalsContact C-N 3.26Å; A793-V795 PolarHBondContact O-N 3.15Å; A793-M796 PolarHBondContact O-N 3.35Å; A793-M796 VanDerWaalsContact O-N 3.15Å; A793-D797 PolarHBondContact O-N 3.15Å; A793-H812 HydrophobicContact CB-CB 4.37Å; A793-H812 VanDerWaalsContact CB-CE1 3.5Å; A793-H812 WeakPolarHBondContact CB-CE1 3.48Å
794	S	96.8	Very high	96.5	Very high	31 Å²	31	44 Å²	44	22%	0.217	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-35.2	174.6	-54.6	0	0	0	0	112.2	E791 P792 K798	E791-S794 PolarHBondContact O-N 3.09Å; E791-S794 PolarHBondContact OE2-OG 3.06Å; P792-S794 PolarHBondContact O-N 2.96Å; S794-K798 PolarHBondContact O-N 2.79Å
795	V	97.6	Very high	96.2	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-69.7	-44.5	174.8	174.9	0	0	0	0	110.7	L783 M787 L788 E791 P792 A793 D797 K798 I799	L783-V795 HydrophobicContact CD1-CG1 4.03Å; L783-V795 HydrophobicContact CD2-CG1 4.02Å; L783-V795 HydrophobicContact CG-CG1 4.48Å; M787-V795 HydrophobicContact CB-CG2 3.78Å; L788-V795 HydrophobicContact CB-CG2 4.42Å; L788-V795 HydrophobicContact CD1-CB 4.44Å; L788-V795 HydrophobicContact CD1-CG1 4.17Å; E791-V795 PolarHBondContact O-N 2.78Å; P792-V795 WeakPolarHBondContact O-CB 3.29Å; P792-V795 PolarHBondContact O-N 3.28Å; A793-V795 VanDerWaalsContact C-N 3.26Å; A793-V795 PolarHBondContact O-N 3.15Å; V795-D797 VanDerWaalsContact C-N 3.31Å; V795-D797 PolarHBondContact O-N 3.44Å; V795-K798 WeakPolarHBondContact O-CB 3.4Å; V795-K798 PolarHBondContact O-N 2.86Å; V795-K798 VanDerWaalsContact O-N 3.13Å; V795-I799 HydrophobicContact CG1-CD1 4.11Å; V795-I799 WeakPolarHBondContact O-CG1 3.3Å; V795-I799 PolarHBondContact O-N 3.32Å; V795-I799 VanDerWaalsContact O-N 3.1Å
796	M	98.1	Very high	95.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-38.2	177.3	-69.3	-51.1	-62.8	0	0	112.2	L627 F630 L631 P792 A793 K798 I799 Q800 Y811	L627-M796 HydrophobicContact CD1-SD 3.74Å; F630-M796 HydrophobicContact CB-CE 4.22Å; F630-M796 HydrophobicContact CB-CG 4.29Å; F630-M796 HydrophobicContact CB-SD 3.79Å; L631-M796 HydrophobicContact CD2-CE 3.58Å; L631-M796 HydrophobicContact CG-CE 4.06Å; P792-M796 WeakPolarHBondContact O-CG 3.35Å; P792-M796 PolarHBondContact O-N 3.43Å; A793-M796 PolarHBondContact O-N 3.35Å; A793-M796 VanDerWaalsContact O-N 3.15Å; M796-K798 VanDerWaalsContact C-N 3.3Å; M796-K798 PolarHBondContact O-N 2.97Å; M796-I799 PolarHBondContact O-N 3.35Å; M796-I799 VanDerWaalsContact O-N 3.12Å; M796-I799 HydrophobicContact SD-CD1 4.01Å; M796-Q800 VanDerWaalsContact O-CG 3.31Å; M796-Q800 WeakPolarHBondContact O-CG 3.36Å; M796-Q800 PolarHBondContact O-N 2.98Å; M796-Y811 HydrophobicContact CB-CD1 4.13Å; M796-Y811 HydrophobicContact CB-CD2 3.45Å; M796-Y811 VanDerWaalsContact CB-CD2 3.45Å; M796-Y811 HydrophobicContact CB-CE1 4.39Å; M796-Y811 HydrophobicContact CB-CE2 3.78Å; M796-Y811 HydrophobicContact CB-CG 3.64Å; M796-Y811 HydrophobicContact CE-CE1 3.91Å; M796-Y811 HydrophobicContact CE-CE2 3.98Å; M796-Y811 WeakPolarHBondContact CE-OH 3.43Å; M796-Y811 HydrophobicContact CG-CD1 3.81Å; M796-Y811 HydrophobicContact CG-CD2 4.07Å; M796-Y811 HydrophobicContact CG-CE1 3.98Å; M796-Y811 HydrophobicContact CG-CE2 4.24Å; M796-Y811 HydrophobicContact CG-CG 3.85Å
797	D	96.9	Very high	95.6	Very high	50 Å²	50	49 Å²	49	27%	0.267	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-38.6	174.1	-75.2	-7.6	0	0	0	113.1	A793 V795 Q800 K801	A793-D797 PolarHBondContact O-N 3.15Å; V795-D797 VanDerWaalsContact C-N 3.31Å; V795-D797 PolarHBondContact O-N 3.44Å; D797-Q800 PolarHBondContact OD1-NE2 2.67Å; D797-K801 WeakPolarHBondContact O-CG 3.42Å; D797-K801 PolarHBondContact O-N 3.43Å
798	K	96.7	Very high	95.4	Very high	109 Å²	109	52.1 Å²	52.1	47%	0.474	28%	0.284	S	S	.	.	H	α-helix	trans	-66	-40.9	174.6	-67.3	175.1	-176.7	176.6	0	111.3	S794 V795 M796 K801 F802	S794-K798 PolarHBondContact O-N 2.79Å; V795-K798 WeakPolarHBondContact O-CB 3.4Å; V795-K798 PolarHBondContact O-N 2.86Å; V795-K798 VanDerWaalsContact O-N 3.13Å; M796-K798 VanDerWaalsContact C-N 3.3Å; M796-K798 PolarHBondContact O-N 2.97Å; K798-K801 PolarHBondContact O-N 2.74Å; K798-F802 WeakPolarHBondContact O-CB 3.29Å; K798-F802 PolarHBondContact O-N 3.15Å
799	I	98	Very high	95.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-45.7	179.6	-62.1	171.4	0	0	0	110.7	L627 L631 I707 L781 L783 V795 M796 K801 F802 L803	L627-I799 HydrophobicContact CD1-CD1 3.37Å; L627-I799 HydrophobicContact CD2-CD1 4.33Å; L627-I799 HydrophobicContact CG-CD1 4.48Å; L631-I799 HydrophobicContact CD2-CG2 3.81Å; I707-I799 HydrophobicContact CD1-CD1 4.4Å; I707-I799 HydrophobicContact CD1-CG1 4.27Å; I707-I799 HydrophobicContact CD1-CG2 3.77Å; L781-I799 HydrophobicContact CD2-CG1 4.02Å; L783-I799 HydrophobicContact CD1-CD1 3.62Å; L783-I799 HydrophobicContact CD1-CG1 4.11Å; L783-I799 HydrophobicContact CD2-CG1 4.19Å; V795-I799 HydrophobicContact CG1-CD1 4.11Å; V795-I799 WeakPolarHBondContact O-CG1 3.3Å; V795-I799 PolarHBondContact O-N 3.32Å; V795-I799 VanDerWaalsContact O-N 3.1Å; M796-I799 PolarHBondContact O-N 3.35Å; M796-I799 VanDerWaalsContact O-N 3.12Å; M796-I799 HydrophobicContact SD-CD1 4.01Å; I799-K801 VanDerWaalsContact C-N 3.26Å; I799-K801 PolarHBondContact O-N 3.45Å; I799-F802 PolarHBondContact O-N 2.93Å; I799-F802 VanDerWaalsContact O-N 3.09Å; I799-L803 HydrophobicContact CG2-CD1 3.63Å; I799-L803 HydrophobicContact CG2-CG 3.94Å; I799-L803 WeakPolarHBondContact O-CB 3.39Å; I799-L803 VanDerWaalsContact O-CG 3.32Å; I799-L803 WeakPolarHBondContact O-CG 3.31Å; I799-L803 PolarHBondContact O-N 2.84Å
800	Q	96.9	Very high	95.4	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.028	29%	0.286	C	S	.	.	H	α-helix	trans	-55.2	-43.1	176.8	-68.3	-179.8	106.8	0	0	111.4	H634 M796 D797 G804 L805 I809 Y811	H634-Q800 PolarHBondContact CD2-OE1 3.29Å; H634-Q800 PolarHBondContact NE2-OE1 3.41Å; M796-Q800 VanDerWaalsContact O-CG 3.31Å; M796-Q800 WeakPolarHBondContact O-CG 3.36Å; M796-Q800 PolarHBondContact O-N 2.98Å; D797-Q800 PolarHBondContact OD1-NE2 2.67Å; Q800-G804 PolarHBondContact O-N 2.75Å; Q800-L805 HydrophobicContact CG-CD1 4.22Å; Q800-L805 PolarHBondContact O-N 3.15Å; Q800-I809 PolarHBondContact NE2-O 3.38Å; Q800-I809 PolarHBondContact OE1-O 3.11Å; Q800-Y811 HydrophobicContact CG-CE2 4.48Å
801	K	96.4	Very high	95.5	Very high	174 Å²	174	48.8 Å²	48.8	76%	0.757	27%	0.268	S	S	*	.	H	α-helix	trans	-65.5	-43.8	175	-71.3	172.6	-177.2	174.4	0	113	D797 K798 I799 G804	D797-K801 WeakPolarHBondContact O-CG 3.42Å; D797-K801 PolarHBondContact O-N 3.43Å; K798-K801 PolarHBondContact O-N 2.74Å; I799-K801 VanDerWaalsContact C-N 3.26Å; I799-K801 PolarHBondContact O-N 3.45Å; K801-G804 PolarHBondContact O-N 3.47Å
802	F	97.6	Very high	95.4	Very high	40 Å²	40	48.9 Å²	48.9	18%	0.175	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-38.6	179.8	168.2	-108.9	0	0	0	113	K705 I707 Q779 L781 K798 I799 G804	K705-F802 HydrophobicContact CB-CE1 3.77Å; K705-F802 HydrophobicContact CB-CZ 4.03Å; K705-F802 HydrophobicContact CD-CE1 4.13Å; K705-F802 HydrophobicContact CD-CE2 4.15Å; K705-F802 HydrophobicContact CD-CZ 3.72Å; K705-F802 HydrophobicContact CG-CE1 4.16Å; K705-F802 HydrophobicContact CG-CZ 4.24Å; I707-F802 HydrophobicContact CD1-CD1 4.45Å; I707-F802 HydrophobicContact CD1-CE1 4.43Å; I707-F802 HydrophobicContact CG1-CD1 4.43Å; I707-F802 HydrophobicContact CG1-CE1 4Å; Q779-F802 WeakPolarHBondContact O-CZ 3.3Å; L781-F802 HydrophobicContact CB-CD1 3.89Å; L781-F802 HydrophobicContact CB-CD2 4.07Å; L781-F802 HydrophobicContact CB-CE1 3.69Å; L781-F802 HydrophobicContact CB-CE2 3.9Å; L781-F802 HydrophobicContact CB-CG 4.05Å; L781-F802 HydrophobicContact CB-CZ 3.68Å; L781-F802 HydrophobicContact CD2-CB 3.88Å; L781-F802 HydrophobicContact CD2-CD1 3.72Å; L781-F802 HydrophobicContact CD2-CE1 4.33Å; L781-F802 HydrophobicContact CD2-CG 3.8Å; L781-F802 HydrophobicContact CG-CD1 4.42Å; L781-F802 HydrophobicContact CG-CG 4.39Å; K798-F802 WeakPolarHBondContact O-CB 3.29Å; K798-F802 PolarHBondContact O-N 3.15Å; I799-F802 PolarHBondContact O-N 2.93Å; I799-F802 VanDerWaalsContact O-N 3.09Å; F802-G804 VanDerWaalsContact C-N 3.3Å
803	L	96.3	Very high	95.3	Very high	17 Å²	17	56.2 Å²	56.2	9%	0.089	30%	0.3	C	S	.	.	H	α-helix	trans	-77.8	-17.6	176.3	-60.9	-179.6	0	0	0	112.5	L614 L637 Y679 K705 I799 L805	L614-L803 HydrophobicContact CB-CD2 4.46Å; L614-L803 HydrophobicContact CD1-CD2 4.23Å; L614-L803 HydrophobicContact CD2-CD1 3.97Å; L614-L803 HydrophobicContact CD2-CD2 4.14Å; L637-L803 HydrophobicContact CD1-CD1 4.26Å; L637-L803 HydrophobicContact CD2-CD1 4.17Å; Y679-L803 HydrophobicContact CE1-CD2 4.39Å; K705-L803 HydrophobicContact CB-CD2 4Å; K705-L803 HydrophobicContact CG-CD2 4.14Å; I799-L803 HydrophobicContact CG2-CD1 3.63Å; I799-L803 HydrophobicContact CG2-CG 3.94Å; I799-L803 WeakPolarHBondContact O-CB 3.39Å; I799-L803 VanDerWaalsContact O-CG 3.32Å; I799-L803 WeakPolarHBondContact O-CG 3.31Å; I799-L803 PolarHBondContact O-N 2.84Å; L803-L805 HydrophobicContact CB-CD2 4Å; L803-L805 HydrophobicContact CB-CG 3.92Å; L803-L805 HydrophobicContact CD1-CD1 4.37Å
804	G	94.8	Very high	95.2	Very high	60 Å²	60	58.5 Å²	58.5	62%	0.619	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	38	-178.1	0	0	0	0	0	112.6	Q800 K801 F802	Q800-G804 PolarHBondContact O-N 2.75Å; K801-G804 PolarHBondContact O-N 3.47Å; F802-G804 VanDerWaalsContact C-N 3.3Å
805	L	91.6	Very high	95.2	Very high	17 Å²	17	57.3 Å²	57.3	9%	0.089	30%	0.303	C	S	.	.			trans	-65.9	136.3	-177.5	-59.9	-179.3	0	0	0	110.9	L637 Y679 Q800 L803	L637-L805 HydrophobicContact CD1-CD1 4.04Å; L637-L805 HydrophobicContact CD2-CD1 4.17Å; L637-L805 HydrophobicContact CD2-CD2 3.92Å; L637-L805 HydrophobicContact CG-CD1 4.01Å; Y679-L805 HydrophobicContact CD2-CD2 4.45Å; Q800-L805 HydrophobicContact CG-CD1 4.22Å; Q800-L805 PolarHBondContact O-N 3.15Å; L803-L805 HydrophobicContact CB-CD2 4Å; L803-L805 HydrophobicContact CB-CG 3.92Å; L803-L805 HydrophobicContact CD1-CD1 4.37Å
806	P	87.8	Confident	95.1	Very high	108 Å²	108	58.4 Å²	58.4	70%	0.701	31%	0.312	S	S	*	.	S	Bend	trans	-71	-38.5	-177.9	27.7	-32.8	0	0	0	111.7	D636	D636-P806 WeakPolarHBondContact OD2-CD 3.44Å; D636-P806 WeakPolarHBondContact OD2-CG 3.3Å
807	N	89.8	Confident	94.9	Very high	87 Å²	87	63.2 Å²	63.2	47%	0.465	33%	0.333	S	S	.	.	S	Bend	trans	-94.1	133.2	174.3	-58.5	-53.9	0	0	0	109.3	H634 D636	H634-N807 PolarHBondContact CE1-O 3.42Å; H634-N807 VanDerWaalsContact CE1-O 3.28Å; H634-N807 PolarHBondContact NE2-O 2.68Å; D636-N807 PolarHBondContact OD1-ND2 3Å; D636-N807 WeakPolarHBondContact OD2-CB 3.39Å; D636-N807 PolarHBondContact OD2-N 3.21Å; D636-N807 PolarHBondContact OD2-ND2 2.85Å
808	V	92.5	Very high	94.8	Very high	111 Å²	111	62 Å²	62	67%	0.673	33%	0.327	S	S	*	.			trans	-112.2	122.5	176.6	-178.8	0	0	0	0	109
809	I	94.3	Very high	94.5	Very high	34 Å²	34	61.8 Å²	61.8	17%	0.174	34%	0.337	C	S	.	.			trans	-93.5	137.1	172.9	-70.1	169	0	0	0	110.4	H634 P635 Q800 Y811 I814	H634-I809 HydrophobicContact CB-CD1 4.13Å; P635-I809 HydrophobicContact CG-CD1 4.31Å; Q800-I809 PolarHBondContact NE2-O 3.38Å; Q800-I809 PolarHBondContact OE1-O 3.11Å; I809-Y811 HydrophobicContact CB-CD2 4.22Å; I809-Y811 HydrophobicContact CB-CE2 3.91Å; I809-Y811 HydrophobicContact CG2-CD2 3.97Å; I809-Y811 HydrophobicContact CG2-CE2 3.98Å; I809-Y811 HydrophobicContact CG2-CG 4.44Å; I809-Y811 PolarHBondContact O-N 3.43Å; I809-I814 HydrophobicContact CG2-CD1 3.47Å; I809-I814 VanDerWaalsContact CG2-CD1 3.47Å; I809-I814 HydrophobicContact CG2-CG1 4.32Å
810	N	95.7	Very high	94.2	Very high	73 Å²	73	70.5 Å²	70.5	39%	0.39	37%	0.374	S	S	.	.			trans	-84.2	96.5	167.1	-174.5	-17.6	0	0	0	110.5	H812 K813	N810-H812 PolarHBondContact O-N 3.32Å; N810-H812 VanDerWaalsContact OD1-CB 3.23Å; N810-H812 WeakPolarHBondContact OD1-CB 3.44Å; N810-H812 PolarHBondContact OD1-CD2 3.25Å; N810-H812 PolarHBondContact OD1-N 3.43Å; N810-K813 HydrophobicContact CB-CD 4.44Å; N810-K813 HydrophobicContact CB-CG 4.42Å; N810-K813 PolarHBondContact O-N 3.34Å; N810-K813 VanDerWaalsContact O-N 3.11Å
811	Y	96.7	Very high	93.9	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-64.6	-20.5	180	-80.4	-94.6	0	0	0	113.8	F630 M633 M796 Q800 I809 K813 I814 L815	F630-Y811 HydrophobicContact CB-CE1 4.37Å; F630-Y811 WeakPolarHBondContact O-CE1 3.43Å; F630-Y811 PolarHBondContact O-OH 3.24Å; F630-Y811 VanDerWaalsContact O-OH 3.06Å; M633-Y811 HydrophobicContact CB-CE1 4.41Å; M796-Y811 HydrophobicContact CB-CD1 4.13Å; M796-Y811 HydrophobicContact CB-CD2 3.45Å; M796-Y811 VanDerWaalsContact CB-CD2 3.45Å; M796-Y811 HydrophobicContact CB-CE1 4.39Å; M796-Y811 HydrophobicContact CB-CE2 3.78Å; M796-Y811 HydrophobicContact CB-CG 3.64Å; M796-Y811 HydrophobicContact CE-CE1 3.91Å; M796-Y811 HydrophobicContact CE-CE2 3.98Å; M796-Y811 WeakPolarHBondContact CE-OH 3.43Å; M796-Y811 HydrophobicContact CG-CD1 3.81Å; M796-Y811 HydrophobicContact CG-CD2 4.07Å; M796-Y811 HydrophobicContact CG-CE1 3.98Å; M796-Y811 HydrophobicContact CG-CE2 4.24Å; M796-Y811 HydrophobicContact CG-CG 3.85Å; Q800-Y811 HydrophobicContact CG-CE2 4.48Å; I809-Y811 HydrophobicContact CB-CD2 4.22Å; I809-Y811 HydrophobicContact CB-CE2 3.91Å; I809-Y811 HydrophobicContact CG2-CD2 3.97Å; I809-Y811 HydrophobicContact CG2-CE2 3.98Å; I809-Y811 HydrophobicContact CG2-CG 4.44Å; I809-Y811 PolarHBondContact O-N 3.43Å; Y811-K813 PolarHBondContact O-N 3.24Å; Y811-I814 HydrophobicContact CD1-CD1 4.03Å; Y811-I814 HydrophobicContact CD1-CG1 4.2Å; Y811-I814 HydrophobicContact CE1-CD1 4.18Å; Y811-I814 HydrophobicContact CG-CD1 4.49Å; Y811-I814 PolarHBondContact O-N 3.17Å; Y811-L815 HydrophobicContact CD1-CD1 4.03Å; Y811-L815 HydrophobicContact CD1-CG 4.23Å; Y811-L815 WeakPolarHBondContact O-CB 3.3Å; Y811-L815 PolarHBondContact O-N 3.49Å
812	H	94.8	Very high	93.6	Very high	101 Å²	101	65.4 Å²	65.4	47%	0.468	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-64.2	-21.6	174.3	-61.3	-87.9	0	0	0	112.7	A793 N810	A793-H812 HydrophobicContact CB-CB 4.37Å; A793-H812 VanDerWaalsContact CB-CE1 3.5Å; A793-H812 WeakPolarHBondContact CB-CE1 3.48Å; N810-H812 PolarHBondContact O-N 3.32Å; N810-H812 VanDerWaalsContact OD1-CB 3.23Å; N810-H812 WeakPolarHBondContact OD1-CB 3.44Å; N810-H812 PolarHBondContact OD1-CD2 3.25Å; N810-H812 PolarHBondContact OD1-N 3.43Å
813	K	94.4	Very high	93.5	Very high	154 Å²	154	66.7 Å²	66.7	67%	0.67	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-89.8	-16.4	179.1	-65.7	-173.7	176.9	-176.2	0	113.8	N810 Y811	N810-K813 HydrophobicContact CB-CD 4.44Å; N810-K813 HydrophobicContact CB-CG 4.42Å; N810-K813 PolarHBondContact O-N 3.34Å; N810-K813 VanDerWaalsContact O-N 3.11Å; Y811-K813 PolarHBondContact O-N 3.24Å
814	I	94.9	Very high	93.5	Very high	52 Å²	52	69 Å²	69	27%	0.267	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	0.8	-172.9	64.2	173.4	0	0	0	113.2	M633 I809 Y811 L827	M633-I814 HydrophobicContact CE-CB 4.08Å; M633-I814 HydrophobicContact CE-CD1 3.59Å; M633-I814 HydrophobicContact CE-CG1 3.79Å; I809-I814 HydrophobicContact CG2-CD1 3.47Å; I809-I814 VanDerWaalsContact CG2-CD1 3.47Å; I809-I814 HydrophobicContact CG2-CG1 4.32Å; Y811-I814 HydrophobicContact CD1-CD1 4.03Å; Y811-I814 HydrophobicContact CD1-CG1 4.2Å; Y811-I814 HydrophobicContact CE1-CD1 4.18Å; Y811-I814 HydrophobicContact CG-CD1 4.49Å; Y811-I814 PolarHBondContact O-N 3.17Å; I814-L827 WeakPolarHBondContact O-CB 3.33Å; I814-L827 PolarHBondContact O-N 2.98Å
815	L	96.4	Very high	93.5	Very high	5 Å²	5	66.3 Å²	66.3	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.6	168.3	-62.3	-179.8	0	0	0	109.4	F630 M633 P792 Y811 W824 C825	F630-L815 HydrophobicContact CD1-CD1 4.41Å; F630-L815 HydrophobicContact CD1-CD2 3.69Å; F630-L815 HydrophobicContact CE1-CD1 4.42Å; F630-L815 HydrophobicContact CE1-CD2 3.6Å; F630-L815 HydrophobicContact CG-CD1 4.46Å; F630-L815 HydrophobicContact CG-CD2 4.47Å; F630-L815 HydrophobicContact CZ-CD1 4.48Å; F630-L815 HydrophobicContact CZ-CD2 4.32Å; M633-L815 HydrophobicContact CE-CD2 3.99Å; M633-L815 HydrophobicContact SD-CD2 4.12Å; P792-L815 HydrophobicContact CB-CD1 3.93Å; P792-L815 HydrophobicContact CG-CD1 3.88Å; Y811-L815 HydrophobicContact CD1-CD1 4.03Å; Y811-L815 HydrophobicContact CD1-CG 4.23Å; Y811-L815 WeakPolarHBondContact O-CB 3.3Å; Y811-L815 PolarHBondContact O-N 3.49Å; L815-W824 HydrophobicContact CB-CE3 3.9Å; L815-W824 HydrophobicContact CB-CZ3 4.36Å; L815-C825 WeakPolarHBondContact CA-O 3.41Å
816	A	95.6	Very high	93.7	Very high	26 Å²	26	68.2 Å²	68.2	22%	0.215	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143	174	0	0	0	0	0	110.3	W824 C825 L827 T833	A816-W824 VanDerWaalsContact C-CE3 3.47Å; A816-C825 PolarHBondContact N-O 3.1Å; A816-C825 PolarHBondContact O-N 2.94Å; A816-L827 HydrophobicContact CB-CB 4.28Å; A816-L827 HydrophobicContact CB-CD1 4.03Å; A816-T833 HydrophobicContact CB-CG2 4.26Å
817	F	95.2	Very high	94	Very high	102 Å²	102	66.1 Å²	66.1	45%	0.447	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.2	173	-174.6	-99.1	0	0	0	109.8	P819 W824	F817-P819 HydrophobicContact CD1-CG 4.42Å; F817-P819 WeakPolarHBondContact O-CD 3.2Å; F817-W824 HydrophobicContact CB-CD2 4.13Å; F817-W824 HydrophobicContact CB-CE3 4.41Å; F817-W824 HydrophobicContact CB-CZ2 4.38Å; F817-W824 AromaticContact CD2-CD1 3.87Å; F817-W824 HydrophobicContact CD2-CG 4.27Å; F817-W824 AromaticContact CD2-NE1 3.91Å
818	D	93.7	Very high	94	Very high	26 Å²	26	65.5 Å²	65.5	14%	0.139	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	111.6	175.7	-175.6	-56.2	0	0	0	109.5	K820 K821 G822 F823 T833	D818-K820 VanDerWaalsContact C-N 3.28Å; D818-K820 PolarHBondContact O-N 3.46Å; D818-K820 WeakPolarHBondContact OD1-CA 3.41Å; D818-K820 WeakPolarHBondContact OD1-CB 3.25Å; D818-K820 PolarHBondContact OD1-N 3.02Å; D818-K821 HydrophobicContact CB-CB 3.92Å; D818-K821 PolarHBondContact O-N 2.88Å; D818-K821 PolarHBondContact OD1-N 3.4Å; D818-G822 PolarHBondContact O-N 3.46Å; D818-F823 PolarHBondContact N-O 3.13Å; D818-T833 HydrophobicContact CB-CG2 4.42Å; D818-T833 PolarHBondContact OD2-OG1 2.86Å
819	P	91.4	Very high	93.8	Very high	104 Å²	104	69.3 Å²	69.3	68%	0.675	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-29.5	-176.7	-23.1	34.2	0	0	0	113.8	F817	F817-P819 HydrophobicContact CD1-CG 4.42Å; F817-P819 WeakPolarHBondContact O-CD 3.2Å
820	K	90.4	Very high	93.2	Very high	183 Å²	183	71.6 Å²	71.6	80%	0.796	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-41.9	178.8	-66.3	-178.6	178.6	178.2	0	110.2	D818 R843	D818-K820 VanDerWaalsContact C-N 3.28Å; D818-K820 PolarHBondContact O-N 3.46Å; D818-K820 WeakPolarHBondContact OD1-CA 3.41Å; D818-K820 WeakPolarHBondContact OD1-CB 3.25Å; D818-K820 PolarHBondContact OD1-N 3.02Å; K820-R843 PolarHBondContact O-NH2 3.24Å
821	K	90.9	Very high	92.7	Very high	43 Å²	43	70.9 Å²	70.9	19%	0.187	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-36.7	175.2	-174.6	64.9	-171.7	-171.6	0	111.6	D818 F823 C835 L836 G837 K840	D818-K821 HydrophobicContact CB-CB 3.92Å; D818-K821 PolarHBondContact O-N 2.88Å; D818-K821 PolarHBondContact OD1-N 3.4Å; K821-F823 VanDerWaalsContact C-N 3.33Å; K821-F823 HydrophobicContact CG-CB 4.08Å; K821-F823 HydrophobicContact CG-CD2 4.2Å; K821-F823 WeakPolarHBondContact O-CD2 3.33Å; K821-C835 HydrophobicContact CD-CB 4.26Å; K821-C835 HydrophobicContact CG-CB 4.08Å; K821-L836 WeakPolarHBondContact CE-O 3.45Å; K821-L836 PolarHBondContact NZ-O 3.25Å; K821-G837 PolarHBondContact NZ-O 3.36Å; K821-K840 WeakPolarHBondContact CE-O 3.28Å; K821-K840 PolarHBondContact NZ-O 2.89Å
822	G	91.9	Very high	92.3	Very high	31 Å²	31	78.1 Å²	78.1	32%	0.32	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	18.5	-171.9	0	0	0	0	0	113.5	D818	D818-G822 PolarHBondContact O-N 3.46Å
823	F	94.4	Very high	92.2	Very high	66 Å²	66	75.7 Å²	75.7	29%	0.289	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.3	-177.8	-68	-88.7	0	0	0	110.6	K789 D818 K821 C825 G841	K789-F823 HydrophobicContact CD-CE1 4.06Å; K789-F823 HydrophobicContact CG-CD1 4.13Å; K789-F823 HydrophobicContact CG-CE1 3.96Å; D818-F823 PolarHBondContact N-O 3.13Å; K821-F823 VanDerWaalsContact C-N 3.33Å; K821-F823 HydrophobicContact CG-CB 4.08Å; K821-F823 HydrophobicContact CG-CD2 4.2Å; K821-F823 WeakPolarHBondContact O-CD2 3.33Å; F823-C825 PolarHBondContact O-SG 3.33Å; F823-G841 VanDerWaalsContact CE2-CA 3.42Å
824	W	95.7	Very high	92.1	Very high	67 Å²	67	74.6 Å²	74.6	25%	0.254	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	139.7	170.4	-70.1	85.9	0	0	0	112	K789 T790 P792 L815 A816 F817	K789-W824 VanDerWaalsContact O-CD1 3.28Å; T790-W824 PolarHBondContact O-NE1 3.48Å; P792-W824 VanDerWaalsContact CD-CD1 3.49Å; P792-W824 HydrophobicContact CG-CB 3.63Å; P792-W824 HydrophobicContact CG-CD2 3.76Å; P792-W824 HydrophobicContact CG-CE3 4.28Å; P792-W824 HydrophobicContact CG-CG 3.45Å; P792-W824 VanDerWaalsContact CG-CG 3.45Å; L815-W824 HydrophobicContact CB-CE3 3.9Å; L815-W824 HydrophobicContact CB-CZ3 4.36Å; A816-W824 VanDerWaalsContact C-CE3 3.47Å; F817-W824 HydrophobicContact CB-CD2 4.13Å; F817-W824 HydrophobicContact CB-CE3 4.41Å; F817-W824 HydrophobicContact CB-CZ2 4.38Å; F817-W824 AromaticContact CD2-CD1 3.87Å; F817-W824 HydrophobicContact CD2-CG 4.27Å; F817-W824 AromaticContact CD2-NE1 3.91Å
825	C	95.5	Very high	92.1	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.014	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	162.4	-176.4	-56.8	0	0	0	0	110.2	L815 A816 F823 L827 T833 C835	L815-C825 WeakPolarHBondContact CA-O 3.41Å; A816-C825 PolarHBondContact N-O 3.1Å; A816-C825 PolarHBondContact O-N 2.94Å; F823-C825 PolarHBondContact O-SG 3.33Å; C825-L827 PolarHBondContact O-N 3.11Å; C825-T833 HydrophobicContact CB-CG2 4.43Å; C825-C835 HydrophobicContact CB-CB 3.95Å; C825-C835 WeakPolarHBondContact CB-SG 3.27Å; C825-C835 WeakPolarHBondContact SG-CA 3.41Å; C825-C835 WeakPolarHBondContact SG-CB 3.38Å; C825-C835 CovalentContact SG-SG 2.03Å; C825-C835 PolarHBondContact SG-SG 2.97Å
826	Q	94.8	Very high	91.8	Very high	58 Å²	58	75.8 Å²	75.8	27%	0.271	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130	171.7	172.4	177.3	21.1	0	0	109.6	M633 L828 T833 K834	M633-Q826 HydrophobicContact CE-CB 4.07Å; M633-Q826 HydrophobicContact CE-CG 3.64Å; M633-Q826 HydrophobicContact SD-CB 3.88Å; M633-Q826 HydrophobicContact SD-CG 3.9Å; Q826-L828 HydrophobicContact CG-CD2 4.09Å; Q826-T833 CarbonylContact O-C 3.55Å; Q826-T833 WeakPolarHBondContact O-CA 3.44Å; Q826-K834 HydrophobicContact CB-CB 4.23Å; Q826-K834 PolarHBondContact N-O 3.28Å; Q826-K834 VanDerWaalsContact N-O 3.08Å; Q826-K834 PolarHBondContact O-N 3.44Å
827	L	94.2	Very high	91.5	Very high	63 Å²	63	76.7 Å²	76.7	33%	0.33	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.4	171.7	-175.1	63.1	0	0	0	109.3	I814 A816 C825	I814-L827 WeakPolarHBondContact O-CB 3.33Å; I814-L827 PolarHBondContact O-N 2.98Å; A816-L827 HydrophobicContact CB-CB 4.28Å; A816-L827 HydrophobicContact CB-CD1 4.03Å; C825-L827 PolarHBondContact O-N 3.11Å
828	L	91.4	Very high	91.2	Very high	74 Å²	74	81.4 Å²	81.4	39%	0.387	45%	0.446	S	S	.	.			trans	-106.1	169.2	174.6	-57.4	-178.6	0	0	0	110.5	Q826 G831 K832 K834	Q826-L828 HydrophobicContact CG-CD2 4.09Å; L828-G831 PolarHBondContact O-N 3.11Å; L828-K832 HydrophobicContact CB-CB 4.33Å; L828-K832 WeakPolarHBondContact CB-O 3.24Å; L828-K832 PolarHBondContact N-O 3.42Å; L828-K834 HydrophobicContact CD1-CB 3.96Å; L828-K834 HydrophobicContact CD2-CB 4.27Å; L828-K834 HydrophobicContact CG-CB 4.09Å
829	E	86.7	Confident	90.7	Very high	191 Å²	191	83 Å²	83	89%	0.893	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-55.3	143.5	172.6	-67.5	-176.5	169.8	0	0	112.1	G831	E829-G831 VanDerWaalsContact C-N 3.3Å; E829-G831 PolarHBondContact O-N 2.91Å
830	G	82.4	Confident	90.7	Very high	83 Å²	83	81.2 Å²	81.2	86%	0.856	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	72.5	17.6	-177.5	0	0	0	0	0	114.8	K832	G830-K832 VanDerWaalsContact C-N 3.3Å; G830-K832 PolarHBondContact O-N 2.67Å
831	G	84.6	Confident	90.5	Very high	58 Å²	58	74.2 Å²	74.2	60%	0.598	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	78.6	8.5	174.5	0	0	0	0	0	115	L828 E829	L828-G831 PolarHBondContact O-N 3.11Å; E829-G831 VanDerWaalsContact C-N 3.3Å; E829-G831 PolarHBondContact O-N 2.91Å
832	K	89.8	Confident	90.3	Very high	152 Å²	152	75.2 Å²	75.2	66%	0.661	42%	0.424	S	S	*	.			trans	-75.5	148.4	177.2	-66.4	179.4	-177.3	174.1	0	110.7	L828 G830	L828-K832 HydrophobicContact CB-CB 4.33Å; L828-K832 WeakPolarHBondContact CB-O 3.24Å; L828-K832 PolarHBondContact N-O 3.42Å; G830-K832 VanDerWaalsContact C-N 3.3Å; G830-K832 PolarHBondContact O-N 2.67Å
833	T	91.4	Very high	90.1	Very high	49 Å²	49	83.7 Å²	83.7	30%	0.301	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.4	178.3	48.8	0	0	0	0	111.2	A816 D818 C825 Q826	A816-T833 HydrophobicContact CB-CG2 4.26Å; D818-T833 HydrophobicContact CB-CG2 4.42Å; D818-T833 PolarHBondContact OD2-OG1 2.86Å; C825-T833 HydrophobicContact CB-CG2 4.43Å; Q826-T833 CarbonylContact O-C 3.55Å; Q826-T833 WeakPolarHBondContact O-CA 3.44Å
834	K	93.1	Very high	89.9	Confident	132 Å²	132	84.5 Å²	84.5	57%	0.574	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	98.4	168.9	-174.6	-179.4	177.7	-173.1	0	109.2	Q826 L828	Q826-K834 HydrophobicContact CB-CB 4.23Å; Q826-K834 PolarHBondContact N-O 3.28Å; Q826-K834 VanDerWaalsContact N-O 3.08Å; Q826-K834 PolarHBondContact O-N 3.44Å; L828-K834 HydrophobicContact CD1-CB 3.96Å; L828-K834 HydrophobicContact CD2-CB 4.27Å; L828-K834 HydrophobicContact CG-CB 4.09Å
835	C	93.6	Very high	89.8	Confident	42 Å²	42	86 Å²	86	28%	0.284	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-92.3	159.8	-177.5	-64.2	0	0	0	0	113	K821 C825	K821-C835 HydrophobicContact CD-CB 4.26Å; K821-C835 HydrophobicContact CG-CB 4.08Å; C825-C835 HydrophobicContact CB-CB 3.95Å; C825-C835 WeakPolarHBondContact CB-SG 3.27Å; C825-C835 WeakPolarHBondContact SG-CA 3.41Å; C825-C835 WeakPolarHBondContact SG-CB 3.38Å; C825-C835 CovalentContact SG-SG 2.03Å; C825-C835 PolarHBondContact SG-SG 2.97Å
836	L	92	Very high	89.8	Confident	39 Å²	39	93.1 Å²	93.1	20%	0.204	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-59	147.8	168	-75.7	167.6	0	0	0	112	T625 A626 L629 K821 K840	T625-L836 HydrophobicContact CG2-CD2 3.8Å; A626-L836 HydrophobicContact CB-CD1 3.68Å; L629-L836 HydrophobicContact CD1-CD2 3.22Å; L629-L836 HydrophobicContact CD1-CG 4.02Å; L629-L836 HydrophobicContact CG-CD2 4.05Å; K821-L836 WeakPolarHBondContact CE-O 3.45Å; K821-L836 PolarHBondContact NZ-O 3.25Å; L836-K840 HydrophobicContact CB-CB 3.87Å; L836-K840 HydrophobicContact CB-CG 4.21Å; L836-K840 HydrophobicContact CD1-CB 4.12Å; L836-K840 HydrophobicContact CD1-CG 4.49Å; L836-K840 HydrophobicContact CD2-CG 4.34Å; L836-K840 HydrophobicContact CG-CB 4.5Å
837	G	88.3	Confident	89.9	Confident	46 Å²	46	91.4 Å²	91.4	47%	0.474	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-57.7	168.8	-179.5	0	0	0	0	0	114.9	K821 S839 K840	K821-G837 PolarHBondContact NZ-O 3.36Å; G837-S839 PolarHBondContact O-N 3.35Å; G837-S839 VanDerWaalsContact O-N 3.11Å; G837-K840 PolarHBondContact O-N 2.98Å
838	K	88.1	Confident	89.9	Confident	200 Å²	200	91 Å²	91	87%	0.87	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.1	-175.6	-65.9	-175.1	-179.1	179.9	0	113.8	K840	K838-K840 PolarHBondContact O-N 2.62Å
839	S	85	Confident	90.1	Very high	59 Å²	59	92.5 Å²	92.5	41%	0.413	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-6.1	178.5	65	0	0	0	0	114.4	G837 R842	G837-S839 PolarHBondContact O-N 3.35Å; G837-S839 VanDerWaalsContact O-N 3.11Å; S839-R842 VanDerWaalsContact O-CZ 3.28Å; S839-R842 PolarHBondContact O-NH1 3.06Å
840	K	90.2	Very high	90.5	Very high	67 Å²	67	89.9 Å²	89.9	29%	0.291	50%	0.496	S	S	.	.	S	Bend	trans	-116.9	130.8	179.4	-48.2	-66.5	175.9	165.1	0	109.2	T625 E648 K821 L836 G837 K838	T625-K840 HydrophobicContact CG2-CD 4.47Å; T625-K840 PolarHBondContact OG1-NZ 3.05Å; E648-K840 IonicContact OE1-NZ 3.47Å; E648-K840 PolarHBondContact OE1-NZ 2.88Å; K821-K840 WeakPolarHBondContact CE-O 3.28Å; K821-K840 PolarHBondContact NZ-O 2.89Å; L836-K840 HydrophobicContact CB-CB 3.87Å; L836-K840 HydrophobicContact CB-CG 4.21Å; L836-K840 HydrophobicContact CD1-CB 4.12Å; L836-K840 HydrophobicContact CD1-CG 4.49Å; L836-K840 HydrophobicContact CD2-CG 4.34Å; L836-K840 HydrophobicContact CG-CB 4.5Å; G837-K840 PolarHBondContact O-N 2.98Å; K838-K840 PolarHBondContact O-N 2.62Å
841	G	85.8	Confident	91.2	Very high	36 Å²	36	86 Å²	86	37%	0.371	46%	0.456	S	S	.	.	S	Bend	trans	68.6	46	-171.2	0	0	0	0	0	112.6	F823	F823-G841 VanDerWaalsContact CE2-CA 3.42Å
842	R	87.7	Confident	91.8	Very high	64 Å²	64	87.1 Å²	87.1	24%	0.242	45%	0.446	C	S	.	.			trans	-61.4	143	176	-69.8	-174.4	-177	79	-2.6	109.3	A726 S839 Y844	A726-R842 VanDerWaalsContact CB-NE 3.3Å; S839-R842 VanDerWaalsContact O-CZ 3.28Å; S839-R842 PolarHBondContact O-NH1 3.06Å; R842-Y844 HydrophobicContact CB-CD1 3.82Å; R842-Y844 HydrophobicContact CB-CE1 4Å
843	R	86.8	Confident	92	Very high	210 Å²	210	85.2 Å²	85.2	79%	0.792	44%	0.439	S	S	*	.			trans	-89.5	122	168.7	-62.2	-175.8	-175.5	-172.4	0.8	107.8	K820	K820-R843 PolarHBondContact O-NH2 3.24Å
844	Y	91.8	Very high	92.3	Very high	83 Å²	83	86.5 Å²	86.5	33%	0.325	44%	0.441	S	S	.	.			trans	-141.5	161.4	175.1	40.4	-107.6	0	0	0	108.1	Y718 S719 Q722 R842	Y718-Y844 HydrophobicContact CD1-CD2 4.31Å; Y718-Y844 AromaticContact CD1-CE2 3.89Å; Y718-Y844 HydrophobicContact CD1-CE2 3.89Å; Y718-Y844 AromaticContact CE1-CD2 3.68Å; Y718-Y844 HydrophobicContact CE1-CD2 3.68Å; Y718-Y844 AromaticContact CE1-CE2 3.74Å; Y718-Y844 HydrophobicContact CE1-CE2 3.74Å; S719-Y844 PolarHBondContact OG-OH 2.9Å; Q722-Y844 HydrophobicContact CB-CD1 3.71Å; Q722-Y844 HydrophobicContact CB-CE1 3.85Å; Q722-Y844 HydrophobicContact CB-CG 4.07Å; Q722-Y844 HydrophobicContact CG-CD1 3.86Å; Q722-Y844 HydrophobicContact CG-CD2 3.8Å; Q722-Y844 HydrophobicContact CG-CE1 4.16Å; Q722-Y844 HydrophobicContact CG-CE2 4.1Å; Q722-Y844 HydrophobicContact CG-CG 3.66Å; R842-Y844 HydrophobicContact CB-CD1 3.82Å; R842-Y844 HydrophobicContact CB-CE1 4Å
845	P	93.4	Very high	92.5	Very high	97 Å²	97	80.2 Å²	80.2	63%	0.63	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-55	154.2	177.1	-24.2	34.5	0	0	0	111.7	Y718	Y718-P845 WeakPolarHBondContact CE1-O 3.43Å; Y718-P845 PolarHBondContact OH-O 2.53Å
846	D	94.7	Very high	92.6	Very high	152 Å²	152	81.8 Å²	81.8	81%	0.813	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-64.8	154.8	171.9	-64	-40.1	0	0	0	110.5	Y718	Y718-D846 PolarHBondContact OH-O 2.83Å
847	M	96.2	Very high	92.7	Very high	22 Å²	22	85.3 Å²	85.3	11%	0.108	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-65.6	138.1	176	179.7	169.3	53.8	0	0	109.7	A714 Y718 F737 Q852 L855	A714-M847 HydrophobicContact CB-CE 4.1Å; Y718-M847 HydrophobicContact CD1-CB 4.07Å; Y718-M847 HydrophobicContact CD2-CB 4.38Å; Y718-M847 HydrophobicContact CD2-CG 4.39Å; Y718-M847 HydrophobicContact CE1-CB 4.11Å; Y718-M847 HydrophobicContact CE2-CB 4.4Å; Y718-M847 HydrophobicContact CG-CB 4.2Å; Y718-M847 HydrophobicContact CG-CG 4.48Å; Y718-M847 HydrophobicContact CG-SD 4.4Å; F737-M847 HydrophobicContact CD1-CG 4.25Å; F737-M847 HydrophobicContact CD1-SD 4.21Å; F737-M847 HydrophobicContact CE1-CG 4.23Å; F737-M847 HydrophobicContact CE1-SD 3.59Å; F737-M847 VanDerWaalsContact CE1-SD 3.59Å; M847-Q852 HydrophobicContact CE-CB 3.8Å; M847-Q852 HydrophobicContact CE-CG 3.8Å; M847-L855 HydrophobicContact SD-CD1 3.98Å
848	D	95	Very high	93.1	Very high	56 Å²	56	86.6 Å²	86.6	30%	0.299	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-66.5	146.4	178.2	59.2	94.6	0	0	0	111.5	E850 S851 Q852	D848-E850 VanDerWaalsContact C-N 3.27Å; D848-E850 PolarHBondContact O-N 3.01Å; D848-S851 PolarHBondContact O-N 3.03Å; D848-S851 VanDerWaalsContact OD1-CB 3.25Å; D848-S851 WeakPolarHBondContact OD1-CB 3.44Å; D848-S851 PolarHBondContact OD1-N 3.36Å; D848-S851 PolarHBondContact OD1-OG 2.8Å; D848-S851 PolarHBondContact OD2-OG 2.86Å; D848-Q852 PolarHBondContact O-N 2.91Å; D848-Q852 VanDerWaalsContact O-N 3.09Å
849	P	95.6	Very high	93.6	Very high	105 Å²	105	77.2 Å²	77.2	68%	0.682	38%	0.379	S	S	*	.	H	α-helix	trans	-58.6	-34.3	-176.2	-27.1	35.2	0	0	0	114.3	Q852 E853	P849-Q852 PolarHBondContact O-N 3.28Å; P849-E853 PolarHBondContact O-N 2.88Å
850	E	95.7	Very high	94.1	Very high	136 Å²	136	78.8 Å²	78.8	64%	0.636	38%	0.376	S	S	*	.	H	α-helix	trans	-65.1	-45	179.2	-170.5	-172.7	164	0	0	111.3	D848 Q852 E853 F854	D848-E850 VanDerWaalsContact C-N 3.27Å; D848-E850 PolarHBondContact O-N 3.01Å; E850-Q852 VanDerWaalsContact C-N 3.31Å; E850-Q852 PolarHBondContact O-N 3.41Å; E850-E853 PolarHBondContact O-N 2.94Å; E850-F854 WeakPolarHBondContact O-CB 3.36Å; E850-F854 PolarHBondContact O-N 2.83Å
851	S	97.6	Very high	94.4	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-63.9	-36.8	173.9	-62.7	0	0	0	0	112.4	N738 D848 L855	N738-S851 WeakPolarHBondContact CA-OG 3.43Å; N738-S851 VanDerWaalsContact CB-OG 3.3Å; N738-S851 WeakPolarHBondContact CB-OG 3.48Å; D848-S851 PolarHBondContact O-N 3.03Å; D848-S851 VanDerWaalsContact OD1-CB 3.25Å; D848-S851 WeakPolarHBondContact OD1-CB 3.44Å; D848-S851 PolarHBondContact OD1-N 3.36Å; D848-S851 PolarHBondContact OD1-OG 2.8Å; D848-S851 PolarHBondContact OD2-OG 2.86Å; S851-L855 WeakPolarHBondContact O-CB 3.26Å; S851-L855 VanDerWaalsContact O-CG 3.28Å; S851-L855 WeakPolarHBondContact O-CG 3.49Å; S851-L855 PolarHBondContact O-N 2.82Å
852	Q	95.8	Very high	94.9	Very high	83 Å²	83	81.9 Å²	81.9	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-64.7	-46.2	178.1	-169.5	170.1	11.1	0	0	111.7	M847 D848 P849 E850 L855 R856	M847-Q852 HydrophobicContact CE-CB 3.8Å; M847-Q852 HydrophobicContact CE-CG 3.8Å; D848-Q852 PolarHBondContact O-N 2.91Å; D848-Q852 VanDerWaalsContact O-N 3.09Å; P849-Q852 PolarHBondContact O-N 3.28Å; E850-Q852 VanDerWaalsContact C-N 3.31Å; E850-Q852 PolarHBondContact O-N 3.41Å; Q852-L855 PolarHBondContact O-N 2.83Å; Q852-R856 WeakPolarHBondContact O-CB 3.2Å; Q852-R856 PolarHBondContact O-N 3.09Å
853	E	94.9	Very high	95.3	Very high	112 Å²	112	79.2 Å²	79.2	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-64.8	-45.2	178.1	-172	58.9	-153.2	0	0	111.5	P849 E850 L855 R856 E857	P849-E853 PolarHBondContact O-N 2.88Å; E850-E853 PolarHBondContact O-N 2.94Å; E853-L855 VanDerWaalsContact C-N 3.32Å; E853-L855 PolarHBondContact O-N 3.38Å; E853-R856 WeakPolarHBondContact O-CB 3.47Å; E853-R856 PolarHBondContact O-N 3.04Å; E853-E857 PolarHBondContact O-N 3Å; E853-E857 VanDerWaalsContact O-N 3.12Å
854	F	97.1	Very high	95.8	Very high	76 Å²	76	71.4 Å²	71.4	33%	0.333	35%	0.349	S	S	.	.	H	α-helix	trans	-56	-46.2	175.6	173.9	-91.8	0	0	0	112	I741 T742 E850 E857 Y858	I741-F854 HydrophobicContact CB-CD1 4.36Å; I741-F854 HydrophobicContact CB-CE1 4.1Å; I741-F854 HydrophobicContact CD1-CD1 3.79Å; I741-F854 HydrophobicContact CD1-CE1 4.39Å; I741-F854 HydrophobicContact CG1-CD1 3.94Å; I741-F854 HydrophobicContact CG1-CE1 4.09Å; T742-F854 HydrophobicContact CG2-CD1 4.41Å; T742-F854 HydrophobicContact CG2-CD2 4Å; T742-F854 HydrophobicContact CG2-CE1 4.38Å; T742-F854 HydrophobicContact CG2-CE2 3.96Å; T742-F854 HydrophobicContact CG2-CG 4.22Å; T742-F854 HydrophobicContact CG2-CZ 4.16Å; E850-F854 WeakPolarHBondContact O-CB 3.36Å; E850-F854 PolarHBondContact O-N 2.83Å; F854-E857 PolarHBondContact O-N 3.3Å; F854-Y858 VanDerWaalsContact O-CB 3.27Å; F854-Y858 WeakPolarHBondContact O-CB 3.35Å; F854-Y858 PolarHBondContact O-N 3.03Å
855	L	97.6	Very high	96	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-72.5	-32	-178.2	-69.2	172.1	0	0	0	112.8	A714 F737 I741 L759 M847 S851 Q852 E853 Y858 Y859	A714-L855 HydrophobicContact CB-CB 3.68Å; A714-L855 HydrophobicContact CB-CD1 3.8Å; A714-L855 HydrophobicContact CB-CG 4.36Å; F737-L855 HydrophobicContact CE1-CD1 3.63Å; F737-L855 HydrophobicContact CZ-CD1 3.78Å; I741-L855 HydrophobicContact CB-CD2 4.33Å; I741-L855 HydrophobicContact CD1-CD1 3.99Å; I741-L855 HydrophobicContact CD1-CD2 4.17Å; I741-L855 HydrophobicContact CD1-CG 3.9Å; I741-L855 HydrophobicContact CG2-CD2 4.32Å; L759-L855 HydrophobicContact CD2-CD2 3.44Å; L759-L855 VanDerWaalsContact CD2-CD2 3.44Å; M847-L855 HydrophobicContact SD-CD1 3.98Å; S851-L855 WeakPolarHBondContact O-CB 3.26Å; S851-L855 VanDerWaalsContact O-CG 3.28Å; S851-L855 WeakPolarHBondContact O-CG 3.49Å; S851-L855 PolarHBondContact O-N 2.82Å; Q852-L855 PolarHBondContact O-N 2.83Å; E853-L855 VanDerWaalsContact C-N 3.32Å; E853-L855 PolarHBondContact O-N 3.38Å; L855-Y858 PolarHBondContact O-N 3.48Å; L855-Y859 HydrophobicContact CB-CD2 4.34Å; L855-Y859 HydrophobicContact CD2-CE2 4.04Å; L855-Y859 WeakPolarHBondContact O-CB 3.45Å; L855-Y859 VanDerWaalsContact O-CD2 3.27Å; L855-Y859 WeakPolarHBondContact O-CD2 3.32Å; L855-Y859 PolarHBondContact O-N 3.1Å
856	R	94.8	Very high	96.2	Very high	75 Å²	75	67 Å²	67	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-58.6	-50.5	173.1	-178.9	-178.7	-63.9	-152.2	-1.7	110.5	Q852 E853 R860 E884	Q852-R856 WeakPolarHBondContact O-CB 3.2Å; Q852-R856 PolarHBondContact O-N 3.09Å; E853-R856 WeakPolarHBondContact O-CB 3.47Å; E853-R856 PolarHBondContact O-N 3.04Å; R856-R860 PolarHBondContact O-N 2.97Å; R856-R860 VanDerWaalsContact O-N 3.14Å; R856-E884 IonicContact NE-OE2 3.55Å
857	E	95.4	Very high	96.3	Very high	112 Å²	112	60.9 Å²	60.9	52%	0.523	29%	0.292	S	S	.	.	H	α-helix	trans	-67.5	-43.1	178	-172.4	59.2	-162.5	0	0	111.3	E853 F854 Y859 R860	E853-E857 PolarHBondContact O-N 3Å; E853-E857 VanDerWaalsContact O-N 3.12Å; F854-E857 PolarHBondContact O-N 3.3Å; E857-Y859 VanDerWaalsContact C-N 3.31Å; E857-Y859 PolarHBondContact O-N 2.93Å; E857-R860 VanDerWaalsContact O-CB 3.27Å; E857-R860 WeakPolarHBondContact O-CB 3.2Å; E857-R860 PolarHBondContact O-N 3.29Å; E857-R860 IonicContact OE1-NH1 3.53Å; E857-R860 IonicContact OE2-NH1 3.58Å
858	Y	96.9	Very high	96.3	Very high	74 Å²	74	64.8 Å²	64.8	29%	0.29	31%	0.309	S	S	.	.	H	α-helix	trans	-57.3	-40.5	178.3	177.8	-96.5	0	0	0	113.4	L759 W763 F854 L855	L759-Y858 HydrophobicContact CB-CE1 4.04Å; L759-Y858 HydrophobicContact CD1-CE1 4.18Å; L759-Y858 HydrophobicContact CD1-CE2 4.32Å; L759-Y858 HydrophobicContact CD2-CE1 4.34Å; L759-Y858 HydrophobicContact CG-CE1 4.42Å; W763-Y858 VanDerWaalsContact CZ2-OH 3.27Å; W763-Y858 WeakPolarHBondContact CZ2-OH 3.35Å; W763-Y858 AromaticContact NE1-CE1 3.7Å; W763-Y858 AromaticContact NE1-CZ 3.73Å; W763-Y858 PolarHBondContact NE1-OH 3.38Å; W763-Y858 VanDerWaalsContact NE1-OH 3.12Å; F854-Y858 VanDerWaalsContact O-CB 3.27Å; F854-Y858 WeakPolarHBondContact O-CB 3.35Å; F854-Y858 PolarHBondContact O-N 3.03Å; L855-Y858 PolarHBondContact O-N 3.48Å
859	Y	97.8	Very high	96.4	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-92.3	-0.7	-179	-72.4	-61.2	0	0	0	114.3	P713 L759 W763 L855 E857 D861 H862 N863	P713-Y859 HydrophobicContact CB-CD1 4.04Å; P713-Y859 HydrophobicContact CB-CD2 3.73Å; P713-Y859 HydrophobicContact CB-CE1 3.99Å; P713-Y859 HydrophobicContact CB-CE2 3.67Å; P713-Y859 HydrophobicContact CB-CG 3.92Å; P713-Y859 HydrophobicContact CG-CD1 4.15Å; P713-Y859 HydrophobicContact CG-CD2 3.64Å; P713-Y859 HydrophobicContact CG-CE2 4.11Å; P713-Y859 HydrophobicContact CG-CG 3.65Å; L759-Y859 WeakPolarHBondContact CA-OH 3.21Å; L759-Y859 PolarHBondContact O-OH 3.26Å; W763-Y859 AromaticContact CD1-CE1 3.81Å; L855-Y859 HydrophobicContact CB-CD2 4.34Å; L855-Y859 HydrophobicContact CD2-CE2 4.04Å; L855-Y859 WeakPolarHBondContact O-CB 3.45Å; L855-Y859 VanDerWaalsContact O-CD2 3.27Å; L855-Y859 WeakPolarHBondContact O-CD2 3.32Å; L855-Y859 PolarHBondContact O-N 3.1Å; E857-Y859 VanDerWaalsContact C-N 3.31Å; E857-Y859 PolarHBondContact O-N 2.93Å; Y859-D861 PolarHBondContact O-N 2.63Å; Y859-H862 HydrophobicContact CD1-CB 4.34Å; Y859-H862 WeakPolarHBondContact O-CB 3.3Å; Y859-H862 PolarHBondContact O-N 3.39Å; Y859-H862 VanDerWaalsContact O-N 3.16Å; Y859-N863 WeakPolarHBondContact O-CB 3.46Å; Y859-N863 VanDerWaalsContact O-CG 3.31Å; Y859-N863 PolarHBondContact O-N 3Å
860	R	95.5	Very high	96.5	Very high	93 Å²	93	57.4 Å²	57.4	35%	0.351	26%	0.263	S	S	.	.	H	α-helix	trans	-51.1	-57.8	-175.3	-176	-178.8	-178.4	160.1	9.3	112.5	R856 E857 H862 N863 I864 T888	R856-R860 PolarHBondContact O-N 2.97Å; R856-R860 VanDerWaalsContact O-N 3.14Å; E857-R860 VanDerWaalsContact O-CB 3.27Å; E857-R860 WeakPolarHBondContact O-CB 3.2Å; E857-R860 PolarHBondContact O-N 3.29Å; E857-R860 IonicContact OE1-NH1 3.53Å; E857-R860 IonicContact OE2-NH1 3.58Å; R860-H862 VanDerWaalsContact C-N 3.35Å; R860-H862 PolarHBondContact O-N 3.35Å; R860-N863 PolarHBondContact O-N 2.98Å; R860-I864 HydrophobicContact CG-CD1 4.37Å; R860-I864 WeakPolarHBondContact O-CG1 3.17Å; R860-I864 PolarHBondContact O-N 3.19Å; R860-T888 HydrophobicContact CG-CG2 3.7Å; R860-T888 PolarHBondContact NH2-O 2.81Å
861	D	95.2	Very high	96.4	Very high	118 Å²	118	60.2 Å²	60.2	63%	0.631	27%	0.27	S	S	*	.	H	α-helix	trans	-65.8	-38.6	-179.5	-70	-21.9	0	0	0	111.9	Y859 N863 I864 E865	Y859-D861 PolarHBondContact O-N 2.63Å; D861-N863 VanDerWaalsContact C-N 3.31Å; D861-N863 PolarHBondContact O-N 3.42Å; D861-I864 PolarHBondContact O-N 2.67Å; D861-E865 WeakPolarHBondContact O-CG 3.46Å; D861-E865 PolarHBondContact O-N 2.72Å
862	H	96.6	Very high	96.2	Very high	50 Å²	50	68 Å²	68	23%	0.231	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-38.7	175.9	-71	-67.6	0	0	0	112.6	W763 Y859 R860 L866	W763-H862 AromaticContact CD1-CD2 3.69Å; W763-H862 AromaticContact CD1-CE1 3.54Å; W763-H862 AromaticContact CD1-CG 3.95Å; W763-H862 AromaticContact CD1-ND1 3.86Å; W763-H862 AromaticContact CD1-NE2 3.41Å; W763-H862 AromaticContact CD2-CE1 3.96Å; W763-H862 AromaticContact CE2-NE2 3.87Å; W763-H862 AromaticContact CG-CE1 3.66Å; W763-H862 AromaticContact CG-ND1 3.98Å; W763-H862 AromaticContact CG-NE2 3.97Å; W763-H862 AromaticContact NE1-CD2 3.92Å; W763-H862 AromaticContact NE1-CE1 3.81Å; W763-H862 AromaticContact NE1-NE2 3.36Å; W763-H862 PolarHBondContact NE1-NE2 3Å; Y859-H862 HydrophobicContact CD1-CB 4.34Å; Y859-H862 WeakPolarHBondContact O-CB 3.3Å; Y859-H862 PolarHBondContact O-N 3.39Å; Y859-H862 VanDerWaalsContact O-N 3.16Å; R860-H862 VanDerWaalsContact C-N 3.35Å; R860-H862 PolarHBondContact O-N 3.35Å; H862-L866 WeakPolarHBondContact O-CB 3.5Å; H862-L866 PolarHBondContact O-N 3Å
863	N	97.6	Very high	96.1	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.043	28%	0.284	C	S	.	.	H	α-helix	trans	-71.2	-37.8	177.5	-75.3	-17.6	0	0	0	111.6	Y859 R860 D861 L866 S867 L881	Y859-N863 WeakPolarHBondContact O-CB 3.46Å; Y859-N863 VanDerWaalsContact O-CG 3.31Å; Y859-N863 PolarHBondContact O-N 3Å; R860-N863 PolarHBondContact O-N 2.98Å; D861-N863 VanDerWaalsContact C-N 3.31Å; D861-N863 PolarHBondContact O-N 3.42Å; N863-L866 PolarHBondContact O-N 3.08Å; N863-S867 WeakPolarHBondContact O-CB 3.26Å; N863-S867 PolarHBondContact O-N 2.7Å; N863-L881 HydrophobicContact CB-CD1 3.7Å
864	I	96.1	Very high	96.1	Very high	46 Å²	46	62.7 Å²	62.7	24%	0.236	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-49.9	172.3	-68.8	168	0	0	0	109.9	R860 D861 L866 S867 K868 L885 T888	R860-I864 HydrophobicContact CG-CD1 4.37Å; R860-I864 WeakPolarHBondContact O-CG1 3.17Å; R860-I864 PolarHBondContact O-N 3.19Å; D861-I864 PolarHBondContact O-N 2.67Å; I864-L866 VanDerWaalsContact C-N 3.33Å; I864-L866 PolarHBondContact O-N 3.07Å; I864-S867 WeakPolarHBondContact O-CB 3.25Å; I864-S867 PolarHBondContact O-N 3.28Å; I864-S867 VanDerWaalsContact O-N 3.14Å; I864-S867 PolarHBondContact O-OG 2.83Å; I864-K868 HydrophobicContact CG2-CD 4.47Å; I864-K868 PolarHBondContact O-N 3.37Å; I864-K868 VanDerWaalsContact O-N 3.12Å; I864-L885 HydrophobicContact CG1-CD2 4.04Å; I864-T888 HydrophobicContact CD1-CG2 4.12Å
865	E	96.2	Very high	96	Very high	85 Å²	85	60.7 Å²	60.7	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-38.2	178.4	-68.9	-49.3	124.5	0	0	112.5	A765 D861 S867 K868 L869	A765-E865 HydrophobicContact CB-CB 4.16Å; D861-E865 WeakPolarHBondContact O-CG 3.46Å; D861-E865 PolarHBondContact O-N 2.72Å; E865-S867 VanDerWaalsContact C-N 3.32Å; E865-S867 PolarHBondContact O-N 2.86Å; E865-K868 PolarHBondContact O-N 3.08Å; E865-K868 IonicContact OE1-NZ 3.5Å; E865-K868 PolarHBondContact OE1-NZ 2.95Å; E865-L869 WeakPolarHBondContact O-CB 3.45Å; E865-L869 PolarHBondContact O-N 3.08Å
866	L	98	Very high	95.8	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-42.9	173	178.9	64.1	0	0	0	111.4	L710 Y764 A765 L768 H862 N863 I864 K868 L869 L870 W880 L881	L710-L866 HydrophobicContact CD1-CD1 4.21Å; L710-L866 HydrophobicContact CD1-CD2 4.17Å; Y764-L866 HydrophobicContact CD2-CD2 3.79Å; Y764-L866 HydrophobicContact CG-CD2 4.39Å; A765-L866 HydrophobicContact CB-CB 4.2Å; L768-L866 HydrophobicContact CD1-CD1 3.79Å; H862-L866 WeakPolarHBondContact O-CB 3.5Å; H862-L866 PolarHBondContact O-N 3Å; N863-L866 PolarHBondContact O-N 3.08Å; I864-L866 VanDerWaalsContact C-N 3.33Å; I864-L866 PolarHBondContact O-N 3.07Å; L866-K868 PolarHBondContact O-N 2.69Å; L866-L869 PolarHBondContact O-N 2.93Å; L866-L870 HydrophobicContact CD1-CD1 4.15Å; L866-L870 HydrophobicContact CD1-CD2 4.35Å; L866-L870 HydrophobicContact CD1-CG 3.99Å; L866-L870 HydrophobicContact CG-CD1 4.02Å; L866-L870 HydrophobicContact CG-CG 4.25Å; L866-L870 WeakPolarHBondContact O-CB 3.22Å; L866-L870 VanDerWaalsContact O-CG 3.3Å; L866-L870 WeakPolarHBondContact O-CG 3.4Å; L866-L870 PolarHBondContact O-N 2.79Å; L866-W880 HydrophobicContact CD2-CH2 3.98Å; L866-W880 HydrophobicContact CD2-CZ2 4.29Å; L866-L881 HydrophobicContact CD2-CD2 3.91Å; L866-L881 HydrophobicContact CG-CD2 4.06Å
867	S	97.6	Very high	95.9	Very high	24 Å²	24	63.7 Å²	63.7	17%	0.168	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-43.6	179.6	80.2	0	0	0	0	112.1	N863 I864 E865 Y871	N863-S867 WeakPolarHBondContact O-CB 3.26Å; N863-S867 PolarHBondContact O-N 2.7Å; I864-S867 WeakPolarHBondContact O-CB 3.25Å; I864-S867 PolarHBondContact O-N 3.28Å; I864-S867 VanDerWaalsContact O-N 3.14Å; I864-S867 PolarHBondContact O-OG 2.83Å; E865-S867 VanDerWaalsContact C-N 3.32Å; E865-S867 PolarHBondContact O-N 2.86Å; S867-Y871 WeakPolarHBondContact O-CB 3.23Å; S867-Y871 PolarHBondContact O-N 3.27Å
868	K	95.9	Very high	95.9	Very high	104 Å²	104	58.5 Å²	58.5	45%	0.452	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-43.6	174.8	-66.2	173	-174.2	167.5	0	110.8	I864 E865 L866 Y871 R872	I864-K868 HydrophobicContact CG2-CD 4.47Å; I864-K868 PolarHBondContact O-N 3.37Å; I864-K868 VanDerWaalsContact O-N 3.12Å; E865-K868 PolarHBondContact O-N 3.08Å; E865-K868 IonicContact OE1-NZ 3.5Å; E865-K868 PolarHBondContact OE1-NZ 2.95Å; L866-K868 PolarHBondContact O-N 2.69Å; K868-Y871 PolarHBondContact O-N 2.93Å; K868-R872 WeakPolarHBondContact O-CG 3.33Å; K868-R872 PolarHBondContact O-N 2.85Å
869	L	96.1	Very high	95.8	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-48.5	178.6	-176.9	65.4	0	0	0	111.9	A765 L768 E769 L772 E865 L866 Y871 R872 M873	A765-L869 HydrophobicContact CB-CD2 4.28Å; L768-L869 HydrophobicContact CB-CD2 3.61Å; L768-L869 HydrophobicContact CD1-CD2 4.32Å; E769-L869 HydrophobicContact CG-CD1 3.89Å; E769-L869 HydrophobicContact CG-CD2 3.89Å; L772-L869 HydrophobicContact CD1-CD1 3.7Å; L772-L869 HydrophobicContact CD1-CD2 4.32Å; L772-L869 HydrophobicContact CD1-CG 4.26Å; E865-L869 WeakPolarHBondContact O-CB 3.45Å; E865-L869 PolarHBondContact O-N 3.08Å; L866-L869 PolarHBondContact O-N 2.93Å; L869-Y871 VanDerWaalsContact C-N 3.29Å; L869-Y871 PolarHBondContact O-N 2.86Å; L869-R872 VanDerWaalsContact CD1-NH2 3.31Å; L869-R872 WeakPolarHBondContact O-CB 3.47Å; L869-R872 PolarHBondContact O-N 2.56Å; L869-R872 VanDerWaalsContact O-N 3.15Å; L869-M873 HydrophobicContact CG-SD 4.11Å; L869-M873 VanDerWaalsContact O-CG 3.31Å; L869-M873 WeakPolarHBondContact O-CG 3.19Å; L869-M873 PolarHBondContact O-N 2.84Å
870	L	97.1	Very high	95.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-38.8	178.6	-67.8	179.1	0	0	0	111.8	L768 V782 L866 M873 G874 Q875 L877 P878 L881	L768-L870 HydrophobicContact CD1-CD2 4.35Å; V782-L870 HydrophobicContact CB-CD2 4.05Å; V782-L870 HydrophobicContact CG1-CD2 3.99Å; V782-L870 HydrophobicContact CG2-CD2 3.76Å; L866-L870 HydrophobicContact CD1-CD1 4.15Å; L866-L870 HydrophobicContact CD1-CD2 4.35Å; L866-L870 HydrophobicContact CD1-CG 3.99Å; L866-L870 HydrophobicContact CG-CD1 4.02Å; L866-L870 HydrophobicContact CG-CG 4.25Å; L866-L870 WeakPolarHBondContact O-CB 3.22Å; L866-L870 VanDerWaalsContact O-CG 3.3Å; L866-L870 WeakPolarHBondContact O-CG 3.4Å; L866-L870 PolarHBondContact O-N 2.79Å; L870-M873 HydrophobicContact CD2-SD 4.26Å; L870-M873 CarbonylContact O-C 3.4Å; L870-M873 PolarHBondContact O-N 2.98Å; L870-G874 PolarHBondContact O-N 2.78Å; L870-G874 VanDerWaalsContact O-N 3.11Å; L870-Q875 HydrophobicContact CB-CB 4.38Å; L870-Q875 HydrophobicContact CD2-CB 4.1Å; L870-Q875 PolarHBondContact O-N 2.78Å; L870-L877 HydrophobicContact CB-CD2 3.99Å; L870-L877 HydrophobicContact CD1-CD2 4.04Å; L870-P878 HydrophobicContact CD1-CG 4.46Å; L870-L881 HydrophobicContact CD1-CD2 4.07Å
871	Y	95.4	Very high	95.7	Very high	196 Å²	196	52.3 Å²	52.3	77%	0.769	27%	0.267	S	S	*	.	H	α-helix	trans	-60.5	-47.8	172.5	-176	-96.3	0	0	0	111.8	S867 K868 L869 M873 G874	S867-Y871 WeakPolarHBondContact O-CB 3.23Å; S867-Y871 PolarHBondContact O-N 3.27Å; K868-Y871 PolarHBondContact O-N 2.93Å; L869-Y871 VanDerWaalsContact C-N 3.29Å; L869-Y871 PolarHBondContact O-N 2.86Å; Y871-M873 VanDerWaalsContact C-N 3.25Å; Y871-M873 PolarHBondContact O-N 2.8Å; Y871-G874 PolarHBondContact O-N 2.98Å
872	R	93.5	Very high	95.7	Very high	162 Å²	162	53.4 Å²	53.4	61%	0.611	26%	0.262	S	S	*	.	H	α-helix	trans	-58.6	-35.3	174.4	-73.2	-172.7	-66.3	166	-0.1	112.7	E769 K868 L869 G874	E769-R872 IonicContact OE1-CZ 3.83Å; E769-R872 IonicContact OE1-NH2 2.72Å; E769-R872 PolarHBondContact OE1-NH2 2.96Å; K868-R872 WeakPolarHBondContact O-CG 3.33Å; K868-R872 PolarHBondContact O-N 2.85Å; L869-R872 VanDerWaalsContact CD1-NH2 3.31Å; L869-R872 WeakPolarHBondContact O-CB 3.47Å; L869-R872 PolarHBondContact O-N 2.56Å; L869-R872 VanDerWaalsContact O-N 3.15Å; R872-G874 VanDerWaalsContact C-N 3.27Å; R872-G874 PolarHBondContact O-N 2.87Å
873	M	93.4	Very high	95.4	Very high	17 Å²	17	56.8 Å²	56.8	8%	0.084	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.2	176.6	-66.6	171.6	68.3	0	0	113.8	L772 L780 V782 L869 L870 Y871 Q875	L772-M873 HydrophobicContact CD1-CE 4.41Å; L772-M873 HydrophobicContact CD1-CG 3.97Å; L772-M873 HydrophobicContact CD1-SD 3.74Å; L772-M873 HydrophobicContact CD2-CE 4.14Å; L772-M873 HydrophobicContact CD2-CG 4.3Å; L772-M873 HydrophobicContact CD2-SD 4.41Å; L780-M873 HydrophobicContact CB-CE 4.07Å; V782-M873 HydrophobicContact CG2-CE 4.08Å; L869-M873 HydrophobicContact CG-SD 4.11Å; L869-M873 VanDerWaalsContact O-CG 3.31Å; L869-M873 WeakPolarHBondContact O-CG 3.19Å; L869-M873 PolarHBondContact O-N 2.84Å; L870-M873 HydrophobicContact CD2-SD 4.26Å; L870-M873 CarbonylContact O-C 3.4Å; L870-M873 PolarHBondContact O-N 2.98Å; Y871-M873 VanDerWaalsContact C-N 3.25Å; Y871-M873 PolarHBondContact O-N 2.8Å; M873-Q875 VanDerWaalsContact C-N 3.29Å; M873-Q875 HydrophobicContact CB-CB 4.43Å; M873-Q875 HydrophobicContact CB-CG 3.77Å; M873-Q875 HydrophobicContact CE-CG 4.08Å
874	G	94.7	Very high	95.1	Very high	68 Å²	68	57.4 Å²	57.4	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	24.6	-171.8	0	0	0	0	0	113.9	L870 Y871 R872	L870-G874 PolarHBondContact O-N 2.78Å; L870-G874 VanDerWaalsContact O-N 3.11Å; Y871-G874 PolarHBondContact O-N 2.98Å; R872-G874 VanDerWaalsContact C-N 3.27Å; R872-G874 PolarHBondContact O-N 2.87Å
875	Q	94.2	Very high	94.8	Very high	33 Å²	33	56.9 Å²	56.9	15%	0.154	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-96.4	141.6	-179.4	-63.5	-72.6	-30.2	0	0	110.7	L780 V782 L870 M873	L780-Q875 PolarHBondContact O-NE2 3.25Å; V782-Q875 HydrophobicContact CG2-CG 4.49Å; L870-Q875 HydrophobicContact CB-CB 4.38Å; L870-Q875 HydrophobicContact CD2-CB 4.1Å; L870-Q875 PolarHBondContact O-N 2.78Å; M873-Q875 VanDerWaalsContact C-N 3.29Å; M873-Q875 HydrophobicContact CB-CB 4.43Å; M873-Q875 HydrophobicContact CB-CG 3.77Å; M873-Q875 HydrophobicContact CE-CG 4.08Å
876	P	94.4	Very high	94.1	Very high	85 Å²	85	57.7 Å²	57.7	55%	0.552	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-68.2	143.5	176	29.2	-34.1	0	0	0	111.1
877	L	95.9	Very high	92.6	Very high	53 Å²	53	63.6 Å²	63.6	28%	0.277	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-68	130.8	175	-59.7	-179.5	0	0	0	110.6	L870 L881 R882	L870-L877 HydrophobicContact CB-CD2 3.99Å; L870-L877 HydrophobicContact CD1-CD2 4.04Å; L877-L881 HydrophobicContact CD2-CD2 4.07Å; L877-R882 HydrophobicContact CB-CG 3.77Å; L877-R882 HydrophobicContact CD1-CG 4.14Å; L877-R882 PolarHBondContact O-NE 2.91Å; L877-R882 VanDerWaalsContact O-NE 3.07Å; L877-R882 PolarHBondContact O-NH2 2.9Å
878	P	96.1	Very high	90.7	Very high	4 Å²	4	64 Å²	64	3%	0.026	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-53.3	149.7	169.1	-26.3	35	0	0	0	111.9	D784 L870 W880 L881 R882	D784-P878 HydrophobicContact CB-CB 4.1Å; D784-P878 WeakPolarHBondContact OD2-CA 3.49Å; L870-P878 HydrophobicContact CD1-CG 4.46Å; P878-W880 VanDerWaalsContact C-N 3.34Å; P878-W880 HydrophobicContact CB-CD2 4.49Å; P878-W880 HydrophobicContact CB-CG 4.28Å; P878-W880 VanDerWaalsContact CB-NE1 3.27Å; P878-W880 PolarHBondContact O-N 3.09Å; P878-L881 HydrophobicContact CB-CB 4.27Å; P878-L881 PolarHBondContact O-N 2.77Å; P878-R882 PolarHBondContact O-N 3.45Å; P878-R882 VanDerWaalsContact O-N 3.14Å
879	S	94.6	Very high	88.1	Confident	27 Å²	27	72.8 Å²	72.8	19%	0.189	35%	0.348	C	S	.	.	H	α-helix	trans	-58.8	-46.7	-178.9	66.9	0	0	0	0	111.3	D784 L881 R882 E883	D784-S879 PolarHBondContact OD2-N 2.82Å; D784-S879 PolarHBondContact OD2-OG 3.31Å; S879-L881 PolarHBondContact O-N 2.79Å; S879-R882 WeakPolarHBondContact O-CB 3.5Å; S879-R882 PolarHBondContact O-N 3.03Å; S879-R882 VanDerWaalsContact O-N 3.13Å; S879-E883 PolarHBondContact O-N 2.93Å; S879-E883 VanDerWaalsContact O-N 3.11Å
880	W	94.9	Very high	87.7	Confident	12 Å²	12	76.1 Å²	76.1	5%	0.045	36%	0.364	C	S	.	.	H	α-helix	trans	-59.1	-35.8	178.1	69.2	-98	0	0	0	112.3	L710 I711 N712 P713 Y764 L866 P878 E883 E884	L710-W880 HydrophobicContact CB-CZ2 4.08Å; L710-W880 PolarHBondContact O-NE1 2.81Å; I711-W880 VanDerWaalsContact C-CE2 3.43Å; I711-W880 WeakPolarHBondContact O-CZ2 3.4Å; N712-W880 HydrophobicContact CB-CB 4.39Å; N712-W880 HydrophobicContact CB-CD2 4.25Å; N712-W880 HydrophobicContact CB-CE3 4.08Å; N712-W880 HydrophobicContact CB-CG 4.41Å; P713-W880 HydrophobicContact CG-CZ3 4.36Å; Y764-W880 HydrophobicContact CD2-CH2 4.03Å; Y764-W880 HydrophobicContact CD2-CZ2 4.11Å; Y764-W880 AromaticContact CE2-CH2 3.84Å; Y764-W880 HydrophobicContact CE2-CH2 3.84Å; Y764-W880 AromaticContact CE2-CZ2 3.81Å; Y764-W880 HydrophobicContact CE2-CZ2 3.81Å; L866-W880 HydrophobicContact CD2-CH2 3.98Å; L866-W880 HydrophobicContact CD2-CZ2 4.29Å; P878-W880 VanDerWaalsContact C-N 3.34Å; P878-W880 HydrophobicContact CB-CD2 4.49Å; P878-W880 HydrophobicContact CB-CG 4.28Å; P878-W880 VanDerWaalsContact CB-NE1 3.27Å; P878-W880 PolarHBondContact O-N 3.09Å; W880-E883 PolarHBondContact O-N 2.78Å; W880-E884 HydrophobicContact CE3-CG 4.35Å; W880-E884 WeakPolarHBondContact O-CG 3.36Å; W880-E884 PolarHBondContact O-N 2.94Å
881	L	96.4	Very high	87.2	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-73.5	-36.1	-179.3	-179.1	60.9	0	0	0	111	N863 L866 L870 L877 P878 S879 E883 E884 L885	N863-L881 HydrophobicContact CB-CD1 3.7Å; L866-L881 HydrophobicContact CD2-CD2 3.91Å; L866-L881 HydrophobicContact CG-CD2 4.06Å; L870-L881 HydrophobicContact CD1-CD2 4.07Å; L877-L881 HydrophobicContact CD2-CD2 4.07Å; P878-L881 HydrophobicContact CB-CB 4.27Å; P878-L881 PolarHBondContact O-N 2.77Å; S879-L881 PolarHBondContact O-N 2.79Å; L881-E883 VanDerWaalsContact C-N 3.33Å; L881-E884 PolarHBondContact O-N 3.19Å; L881-L885 HydrophobicContact CD1-CD1 4.07Å; L881-L885 HydrophobicContact CD1-CG 4.1Å; L881-L885 HydrophobicContact CG-CD1 3.9Å; L881-L885 HydrophobicContact CG-CG 4.38Å; L881-L885 WeakPolarHBondContact O-CB 3.23Å; L881-L885 WeakPolarHBondContact O-CG 3.28Å; L881-L885 PolarHBondContact O-N 3.38Å
882	R	94.1	Very high	86.8	Confident	140 Å²	140	73.7 Å²	73.7	53%	0.528	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-42.6	173.9	-75.8	-177.8	-94.9	178.3	-4.5	111.2	L877 P878 S879 V886	L877-R882 HydrophobicContact CB-CG 3.77Å; L877-R882 HydrophobicContact CD1-CG 4.14Å; L877-R882 PolarHBondContact O-NE 2.91Å; L877-R882 VanDerWaalsContact O-NE 3.07Å; L877-R882 PolarHBondContact O-NH2 2.9Å; P878-R882 PolarHBondContact O-N 3.45Å; P878-R882 VanDerWaalsContact O-N 3.14Å; S879-R882 WeakPolarHBondContact O-CB 3.5Å; S879-R882 PolarHBondContact O-N 3.03Å; S879-R882 VanDerWaalsContact O-N 3.13Å; R882-V886 VanDerWaalsContact O-CG2 3.3Å; R882-V886 WeakPolarHBondContact O-CG2 3.19Å; R882-V886 PolarHBondContact O-N 2.81Å
883	E	91.8	Very high	86.4	Confident	121 Å²	121	68.5 Å²	68.5	57%	0.565	35%	0.347	S	S	*	.	H	α-helix	trans	-61.9	-49.7	176.5	-69.7	165.6	-163.3	0	0	111.4	S879 W880 L881 L885 V886 H887	S879-E883 PolarHBondContact O-N 2.93Å; S879-E883 VanDerWaalsContact O-N 3.11Å; W880-E883 PolarHBondContact O-N 2.78Å; L881-E883 VanDerWaalsContact C-N 3.33Å; E883-L885 PolarHBondContact O-N 3.32Å; E883-V886 PolarHBondContact O-N 3.02Å; E883-H887 PolarHBondContact O-CD2 3.17Å
884	E	90.6	Very high	85.9	Confident	22 Å²	22	71.7 Å²	71.7	10%	0.103	36%	0.363	C	S	.	.	H	α-helix	trans	-60.2	-41.6	178.7	-71.8	-67	161.6	0	0	112.9	N712 R856 W880 L881 V886 H887 T888	N712-E884 PolarHBondContact ND2-OE1 3.37Å; R856-E884 IonicContact NE-OE2 3.55Å; W880-E884 HydrophobicContact CE3-CG 4.35Å; W880-E884 WeakPolarHBondContact O-CG 3.36Å; W880-E884 PolarHBondContact O-N 2.94Å; L881-E884 PolarHBondContact O-N 3.19Å; E884-V886 VanDerWaalsContact C-N 3.32Å; E884-V886 PolarHBondContact O-N 3.33Å; E884-H887 PolarHBondContact O-N 3.06Å; E884-T888 PolarHBondContact O-N 3.49Å; E884-T888 PolarHBondContact O-OG1 3.31Å
885	L	89.1	Confident	85.3	Confident	35 Å²	35	71.9 Å²	71.9	18%	0.183	34%	0.341	C	S	.	.	H	α-helix	trans	-69.9	-26.7	-179.2	-69.4	170.7	0	0	0	113.5	I864 L881 E883 H887 T888	I864-L885 HydrophobicContact CG1-CD2 4.04Å; L881-L885 HydrophobicContact CD1-CD1 4.07Å; L881-L885 HydrophobicContact CD1-CG 4.1Å; L881-L885 HydrophobicContact CG-CD1 3.9Å; L881-L885 HydrophobicContact CG-CG 4.38Å; L881-L885 WeakPolarHBondContact O-CB 3.23Å; L881-L885 WeakPolarHBondContact O-CG 3.28Å; L881-L885 PolarHBondContact O-N 3.38Å; E883-L885 PolarHBondContact O-N 3.32Å; L885-H887 VanDerWaalsContact C-N 3.31Å; L885-T888 WeakPolarHBondContact CA-OG1 3.42Å; L885-T888 WeakPolarHBondContact O-CB 3.36Å; L885-T888 PolarHBondContact O-N 3.21Å
886	V	83.2	Confident	84.7	Confident	102 Å²	102	74.7 Å²	74.7	62%	0.618	35%	0.354	S	S	*	.	H	α-helix	trans	-67.1	-36.2	174.6	169.5	0	0	0	0	110.8	R882 E883 E884 T888	R882-V886 VanDerWaalsContact O-CG2 3.3Å; R882-V886 WeakPolarHBondContact O-CG2 3.19Å; R882-V886 PolarHBondContact O-N 2.81Å; E883-V886 PolarHBondContact O-N 3.02Å; E884-V886 VanDerWaalsContact C-N 3.32Å; E884-V886 PolarHBondContact O-N 3.33Å; V886-T888 PolarHBondContact O-N 3.31Å
887	H	65.3	Low	84	Confident	124 Å²	124	73.9 Å²	73.9	57%	0.574	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.7	175.6	-65.3	-62	0	0	0	114.1	E883 E884 L885	E883-H887 PolarHBondContact O-CD2 3.17Å; E884-H887 PolarHBondContact O-N 3.06Å; L885-H887 VanDerWaalsContact C-N 3.31Å
888	T	57.8	Low	83	Confident	34 Å²	34	75.7 Å²	75.7	21%	0.209	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.5	-178.2	-47.2	0	0	0	0	112.8	R860 I864 E884 L885 V886	R860-T888 HydrophobicContact CG-CG2 3.7Å; R860-T888 PolarHBondContact NH2-O 2.81Å; I864-T888 HydrophobicContact CD1-CG2 4.12Å; E884-T888 PolarHBondContact O-N 3.49Å; E884-T888 PolarHBondContact O-OG1 3.31Å; L885-T888 WeakPolarHBondContact CA-OG1 3.42Å; L885-T888 WeakPolarHBondContact O-CB 3.36Å; L885-T888 PolarHBondContact O-N 3.21Å; V886-T888 PolarHBondContact O-N 3.31Å
889	R	42	Very low	81.8	Confident	287 Å²	287	82.2 Å²	82.2	100%	1.083	37%	0.373	S	S	*	.			trans	-91.3	0	170.8	-71.9	-176.4	178.1	-176.6	-0.8	109.8

Retrieved 889 of 889 residues in 1922.6 ms (Link to these results)

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