A0A087YH28_POEFO Loading...

Aminopeptidase

Aminopeptidase that plays a central role in peptide trimming, a step required for the generation of most HLA class I-binding peptides. Peptide trimming is essential to customize longer precursor peptides to fit them to the correct length required for presentation on MHC class I molecules. Strongly prefers substrates 9-16 residues long. Rapidly degrades 13-mer to a 9-mer and then stops. Preferentially hydrolyzes the residue Leu and peptides with a hydrophobic C-terminus, while it has weak activity toward peptides with charged C-terminus. May play a role in the inactivation of peptide hormones. May be involved in the regulation of blood pressure through the inactivation of angiotensin II and/or the generation of bradykinin in the kidney.

AlphaFold DB , UniProt , Accession A0A087YH28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 943 aa.

						>A0A087YH28_POEFO|A0A087YH28
MIPVGFLVLLAFSIHLVGSQPSQSSQQVTSPPSPTAESLGDGNLSFPWSRLRLPRYIVPLHYHLLLHPNLTTLSFTGTVQIQIDVQNNTNWVVLHSKGLQISKATILDQNLNHLSDQVLPVLHNPSHEQIGIFSPRVLSSGQKYFLYMEFEAELAEGFYGFYKSTYRTSEGETRFLASTHFEPTSARMAFPCFDEPSFKANFSVRIRRSRDYISLSNMPVIKTVQLNGDLLEDQFAPSVMMSTYLVAFIVCDFKSVSAMTSSGVKVSIYAAPEKWMQTHYALEVAVKMLDFYEEYFNIRYPLPKQDLIAIPDFQVGAMENWGLTTYRETSLLYDPLTSSISDKLWVTMVIGHELAHQWFGNLVTMDWWNDLWLNEGFARYMEYISVEATYPILKVDEYLLHTCFVAIGLDSLNSSRPISSPAESPTQIEEMFDSVSYDKGACVLHMLRYFLSEDVFQSGIVRYLRKFSYGNAHNQDLWDSLSNTCSEDDFTSAKHCYSSDQASKNAYLFAGEHLNLTAMMNTWTLQKGIPLVTVTRKGPRLLLRQDRFLRTVHPSDPQWQAVQQGFLWHIPLTYKTDISSTIHRHMMTSPTDSVHIGEKASWVKINSDMTGYYVVHYADDGWDVMAKLLRENHTALSYKDRTHLIHNAFQLVTAGHLPLNKALDLIGYLQLEKHTVPLLEGLAYLEVFYHIIEKRDEPTLTKNLEKYILQFFRAVIDQQTWSDSGTVSERRLRSEVLSLACHLEYPPCLERANQHFKDWLHSNGTLNLPTDVAETVFSVGAQNDHGWTLLLNTYRNSLSEAQKNKILSALTSSRDKDKLQRLLEMGLEGNVIRSQDLSYLILMIARNPKGHHLAWNFVKKNWDALVEKFPLGSFGIRNIIIGTTQQFSFPEELTEVQQFFESIKEQTSQLRATQLALENVQKNIRWVQRNLGVLSNWLNEQMK
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	20.7	Very low	22.8	Very low	89 Å²	89	55.1 Å²	55.1	44%	0.438	33%	0.329	S	S	.	.				0	83.8	0	-62.4	160.4	-139.1	0	0	105.8	W345 R379	M1-W345 HydrophobicContact CB-CE3 3.94Å; M1-W345 HydrophobicContact CB-CH2 3.49Å; M1-W345 VanDerWaalsContact CB-CH2 3.49Å; M1-W345 HydrophobicContact CB-CZ2 4.44Å; M1-W345 HydrophobicContact CB-CZ3 3.16Å; M1-W345 HydrophobicContact CE-CH2 3.6Å; M1-W345 HydrophobicContact CE-CZ3 3.77Å; M1-W345 HydrophobicContact CG-CH2 3.29Å; M1-W345 HydrophobicContact CG-CZ2 4.4Å; M1-W345 HydrophobicContact CG-CZ3 3.37Å; M1-W345 VanDerWaalsContact N-CE2 3.28Å; M1-W345 HydrophobicContact SD-CH2 3.82Å; M1-W345 HydrophobicContact SD-CZ3 3.55Å; M1-W345 VanDerWaalsContact SD-CZ3 3.55Å; M1-R379 PolarHBondContact SD-NH2 3.11Å
2	I	19.6	Very low	22.6	Very low	106 Å²	106	66.2 Å²	66.2	54%	0.544	37%	0.37	S	S	.	.			trans	-75.6	115.4	152.3	-62.4	169.6	0	0	0	102.9	V4 Y839	I2-V4 PolarHBondContact O-N 2.82Å; I2-Y839 HydrophobicContact CD1-CE2 3.74Å
3	P	23.4	Very low	22.4	Very low	75 Å²	75	69.8 Å²	69.8	49%	0.487	40%	0.403	S	S	.	.			trans	-79.4	120.3	-164.6	32	-32.2	0	0	0	108.7	H401	P3-H401 VanDerWaalsContact CG-CE1 3.46Å; P3-H401 WeakPolarHBondContact CG-CE1 3.37Å
4	V	24	Very low	22.4	Very low	45 Å²	45	74.4 Å²	74.4	27%	0.273	42%	0.423	S	S	.	.			trans	-143.7	108.7	174.1	-177.1	0	0	0	0	107.9	I2 L842	I2-V4 PolarHBondContact O-N 2.82Å; V4-L842 HydrophobicContact CG2-CD2 4.49Å
5	G	23.3	Very low	22.2	Very low	22 Å²	22	82.5 Å²	82.5	23%	0.227	46%	0.456	C	S	.	.			trans	-104	147.7	-177.5	0	0	0	0	0	114
6	F	24	Very low	22.2	Very low	37 Å²	37	87.3 Å²	87.3	16%	0.162	48%	0.479	C	S	.	.			trans	-153.1	153.9	163.7	-90.5	-101	0	0	0	111.5	L409 I881 Q885 L915 N919	F6-L409 VanDerWaalsContact O-CD1 3.25Å; F6-L409 WeakPolarHBondContact O-CD1 3.05Å; F6-I881 HydrophobicContact CB-CB 4.36Å; F6-I881 HydrophobicContact CB-CD1 4.19Å; F6-I881 HydrophobicContact CB-CG1 4.34Å; F6-I881 HydrophobicContact CB-CG2 3.17Å; F6-I881 HydrophobicContact CD1-CG2 4.13Å; F6-I881 HydrophobicContact CD2-CG2 3.74Å; F6-I881 HydrophobicContact CG-CG2 3.41Å; F6-I881 VanDerWaalsContact CG-CG2 3.41Å; F6-Q885 HydrophobicContact CD1-CB 3.71Å; F6-Q885 HydrophobicContact CD2-CB 3.78Å; F6-Q885 HydrophobicContact CD2-CG 4.2Å; F6-Q885 HydrophobicContact CE1-CB 3.41Å; F6-Q885 VanDerWaalsContact CE1-CB 3.41Å; F6-Q885 HydrophobicContact CE1-CG 4.13Å; F6-Q885 VanDerWaalsContact CE1-O 3.26Å; F6-Q885 WeakPolarHBondContact CE1-O 3.42Å; F6-Q885 HydrophobicContact CE2-CB 3.49Å; F6-Q885 VanDerWaalsContact CE2-CB 3.49Å; F6-Q885 HydrophobicContact CE2-CG 3.53Å; F6-Q885 HydrophobicContact CG-CB 4.02Å; F6-Q885 HydrophobicContact CZ-CB 3.33Å; F6-Q885 HydrophobicContact CZ-CG 3.53Å; F6-Q885 WeakPolarHBondContact CZ-O 3.39Å; F6-L915 VanDerWaalsContact C-CD2 3.46Å; F6-L915 HydrophobicContact CB-CD2 4.35Å; F6-L915 WeakPolarHBondContact O-CD2 3.29Å; F6-N919 HydrophobicContact CD1-CB 3.54Å; F6-N919 VanDerWaalsContact CD1-ND2 3.26Å; F6-N919 WeakPolarHBondContact CD1-ND2 3.34Å; F6-N919 HydrophobicContact CE1-CB 3.72Å
7	L	25.5	Very low	22.4	Very low	12 Å²	12	90.5 Å²	90.5	6%	0.063	50%	0.501	C	S	.	.			trans	-147.4	158.3	173.7	-124.7	149	0	0	0	117.1	L409 L412 S414 V435 L915 N919	L7-L409 HydrophobicContact CB-CB 3.74Å; L7-L409 HydrophobicContact CB-CD2 4.43Å; L7-L409 HydrophobicContact CB-CG 4.4Å; L7-L409 WeakPolarHBondContact CB-O 3.33Å; L7-L409 HydrophobicContact CD1-CB 3.55Å; L7-L409 HydrophobicContact CD1-CD1 4.14Å; L7-L409 HydrophobicContact CD1-CG 4.43Å; L7-L409 HydrophobicContact CG-CB 4.19Å; L7-L412 HydrophobicContact CB-CB 4.22Å; L7-L412 HydrophobicContact CB-CD1 3.75Å; L7-L412 WeakPolarHBondContact O-CD1 3.38Å; L7-L412 WeakPolarHBondContact O-CG 3.36Å; L7-S414 WeakPolarHBondContact CD2-O 3.43Å; L7-V435 HydrophobicContact CD1-CG2 4.06Å; L7-L915 HydrophobicContact CB-CD1 3.98Å; L7-L915 HydrophobicContact CB-CG 4.3Å; L7-L915 HydrophobicContact CD2-CD1 3.65Å; L7-L915 HydrophobicContact CG-CD1 3.52Å; L7-L915 HydrophobicContact CG-CD2 4.42Å; L7-L915 HydrophobicContact CG-CG 4.31Å; L7-N919 PolarHBondContact N-ND2 3.26Å; L7-N919 PolarHBondContact O-ND2 3.43Å
8	V	23.1	Very low	22.4	Very low	0 Å²	0	89.4 Å²	89.4	0%	0	51%	0.514	C	S	.	.			trans	-148	169.9	175.5	71.3	0	0	0	0	112.7	S414 R911 Q914 L915 L917 E918	V8-S414 WeakPolarHBondContact CA-OG 3.27Å; V8-S414 PolarHBondContact N-OG 3.12Å; V8-S414 CarbonylContact O-C 3.59Å; V8-S414 WeakPolarHBondContact O-CA 3.24Å; V8-S414 WeakPolarHBondContact O-CB 3.46Å; V8-S414 PolarHBondContact O-OG 2.91Å; V8-R911 WeakPolarHBondContact CG1-O 3.45Å; V8-Q914 HydrophobicContact CB-CB 4.04Å; V8-Q914 HydrophobicContact CB-CG 3.9Å; V8-Q914 WeakPolarHBondContact CB-O 3.4Å; V8-Q914 HydrophobicContact CG1-CB 3.14Å; V8-Q914 HydrophobicContact CG1-CG 3.32Å; V8-Q914 WeakPolarHBondContact CG1-O 3.1Å; V8-Q914 HydrophobicContact CG2-CB 3.84Å; V8-Q914 HydrophobicContact CG2-CG 3.34Å; V8-Q914 VanDerWaalsContact CG2-NE2 3.27Å; V8-Q914 WeakPolarHBondContact CG2-O 3.4Å; V8-L915 HydrophobicContact CB-CB 4.21Å; V8-L915 HydrophobicContact CB-CD1 4.31Å; V8-L915 HydrophobicContact CB-CG 4.39Å; V8-L915 HydrophobicContact CG1-CB 3.96Å; V8-L915 HydrophobicContact CG1-CD1 3.8Å; V8-L915 HydrophobicContact CG1-CG 4.27Å; V8-L917 HydrophobicContact CG2-CB 4.46Å; V8-E918 WeakPolarHBondContact CA-OE2 3.07Å; V8-E918 HydrophobicContact CB-CB 3.95Å; V8-E918 HydrophobicContact CB-CG 4.25Å; V8-E918 HydrophobicContact CG2-CB 3.26Å; V8-E918 VanDerWaalsContact CG2-CD 3.49Å; V8-E918 HydrophobicContact CG2-CG 3.26Å
9	L	25.3	Very low	22.5	Very low	31 Å²	31	90.7 Å²	90.7	16%	0.162	53%	0.529	C	S	.	.			trans	-173.8	116.6	146.4	-77.3	174.9	0	0	0	115.5	N413 S414 Q914 E918	L9-N413 PolarHBondContact O-ND2 2.88Å; L9-S414 VanDerWaalsContact CD1-CA 3.49Å; L9-S414 WeakPolarHBondContact CD1-O 3.43Å; L9-S414 VanDerWaalsContact CG-CA 3.44Å; L9-S414 WeakPolarHBondContact CG-O 3.38Å; L9-S414 PolarHBondContact N-OG 2.99Å; L9-Q914 HydrophobicContact CD2-CG 4.29Å; L9-E918 VanDerWaalsContact CA-OE1 3.24Å; L9-E918 WeakPolarHBondContact CA-OE1 3.35Å; L9-E918 PolarHBondContact N-OE1 2.81Å; L9-E918 PolarHBondContact N-OE2 2.92Å
10	L	22.2	Very low	22.7	Very low	99 Å²	99	95.5 Å²	95.5	52%	0.518	55%	0.546	S	S	.	.				63.1	137.6	110.2	-107.8	155.1	0	0	0	119	Q914	L10-Q914 VanDerWaalsContact CA-CD 3.42Å; L10-Q914 HydrophobicContact CB-CG 3.85Å; L10-Q914 HydrophobicContact CD1-CG 4.18Å; L10-Q914 HydrophobicContact CG-CG 3.74Å
11	A	19.4	Very low	22.9	Very low	90 Å²	90	96.5 Å²	96.5	74%	0.744	56%	0.556	S	S	*	*			trans	-108.1	148.9	169.2	0	0	0	0	0	111.5
12	F	21.3	Very low	23.1	Very low	188 Å²	188	97.7 Å²	97.7	83%	0.825	57%	0.574	S	S	*	*			trans	-103.1	160.6	-177.4	-99.4	-91.5	0	0	0	112.7
13	S	20.2	Very low	23.6	Very low	114 Å²	114	102.1 Å²	102.1	80%	0.797	59%	0.592	S	S	*	*			trans	-174	102.1	139.9	-70.9	0	0	0	0	109.3
14	I	21.4	Very low	23.7	Very low	134 Å²	134	104.6 Å²	104.6	69%	0.687	61%	0.611	S	S	*	*				63.9	117.2	94	-56.3	169.4	0	0	0	116.3
15	H	20.3	Very low	23.7	Very low	196 Å²	196	107.2 Å²	107.2	91%	0.907	63%	0.631	S	S	*	*			trans	-143.7	153.3	142.2	-94.9	-8.6	0	0	0	113.1
16	L	22.3	Very low	23.9	Very low	159 Å²	159	114.5 Å²	114.5	83%	0.832	66%	0.659	S	S	*	*			trans	-91.2	164.7	-156.3	-93.3	135.5	0	0	0	115.7
17	V	24.5	Very low	23.9	Very low	141 Å²	141	121.5 Å²	121.5	86%	0.855	69%	0.693	S	S	*	*			trans	-58.6	148.3	179.2	173.9	0	0	0	0	115.3
18	G	22.2	Very low	24.1	Very low	71 Å²	71	127.9 Å²	127.9	73%	0.732	73%	0.731	S	S	*	*			trans	-150.6	110.1	163.1	0	0	0	0	0	113.8
19	S	24.2	Very low	24.3	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	77%	0.77	S	S	*	*			trans	-13.9	144.4	166.2	51.9	0	0	0	0	123.4
20	Q	27.3	Very low	24.5	Very low	186 Å²	186	137.8 Å²	137.8	87%	0.869	80%	0.798	S	S	*	*			trans	-62.1	164.3	158.1	-71.7	-176.9	-34.6	0	0	113.7
21	P	27.6	Very low	24.8	Very low	117 Å²	117	138.9 Å²	138.9	76%	0.76	81%	0.811	S	S	*	*				-146.9	144.9	107.1	36.5	-19.6	0	0	0	117.5
22	S	24.8	Very low	25.3	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	82%	0.815	S	S	*	*			trans	51.5	136.8	139.3	64.6	0	0	0	0	124.7
23	Q	29.2	Very low	25.7	Very low	199 Å²	199	136.8 Å²	136.8	93%	0.93	81%	0.811	S	S	*	*			trans	-60.8	154.6	174.2	-65.6	170	-28.8	0	0	116.4
24	S	25.1	Very low	26.2	Very low	127 Å²	127	137.7 Å²	137.7	89%	0.888	81%	0.814	S	S	*	*			trans	-149.3	162.1	140.2	69.5	0	0	0	0	110.8
25	S	25.1	Very low	26.6	Very low	99 Å²	99	137.2 Å²	137.2	69%	0.692	82%	0.818	S	S	*	*			trans	-114.3	160.4	-149.3	55.9	0	0	0	0	115.2
26	Q	26.4	Very low	27.3	Very low	176 Å²	176	133.1 Å²	133.1	82%	0.822	82%	0.818	S	S	*	*			trans	75.8	119.9	155.6	-64.9	-178.1	-0.7	0	0	119.5
27	Q	24.8	Very low	27.8	Very low	184 Å²	184	133.8 Å²	133.8	86%	0.86	82%	0.817	S	S	*	*				-173.2	142.1	94.3	-105.4	179.3	-12.7	0	0	111.9
28	V	30.3	Very low	28.3	Very low	145 Å²	145	132.8 Å²	132.8	88%	0.879	82%	0.816	S	S	*	*			trans	-87.2	128.1	177.6	172.9	0	0	0	0	108.9
29	T	27	Very low	29.2	Very low	133 Å²	133	135.7 Å²	135.7	82%	0.816	81%	0.814	S	S	*	*			trans	-130.7	132.1	163.4	43.6	0	0	0	0	110.6
30	S	28.8	Very low	29.8	Very low	107 Å²	107	133 Å²	133	75%	0.748	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.8	158.7	178.7	43.5	0	0	0	0	113.2
31	P	29.6	Very low	30.6	Very low	121 Å²	121	130.4 Å²	130.4	79%	0.786	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-83.4	149.8	-165.9	33.6	-34.1	0	0	0	113
32	P	29.8	Very low	31.5	Very low	127 Å²	127	128.3 Å²	128.3	83%	0.825	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-88	141	162.4	30	-21	0	0	0	111.3
33	S	28.2	Very low	33.2	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61.7	159.3	175.7	-49.1	0	0	0	0	113.2	T35	S33-T35 PolarHBondContact O-N 3.45Å
34	P	32.3	Very low	35.5	Very low	133 Å²	133	123.2 Å²	123.2	86%	0.864	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-84.1	116.6	-164.4	32.3	-30.9	0	0	0	112
35	T	28.2	Very low	38.6	Very low	125 Å²	125	121.7 Å²	121.7	77%	0.767	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-98.9	123.4	158.9	34.4	0	0	0	0	109	S33 E37	S33-T35 PolarHBondContact O-N 3.45Å; T35-E37 PolarHBondContact O-N 3.41Å; T35-E37 VanDerWaalsContact O-N 3.11Å
36	A	36.7	Very low	41.9	Very low	110 Å²	110	119.2 Å²	119.2	91%	0.909	73%	0.733	S	S	*	*			trans	-65.6	103.1	173	0	0	0	0	0	109.5
37	E	31.8	Very low	45.1	Very low	173 Å²	173	112.4 Å²	112.4	81%	0.808	70%	0.704	S	S	*	*			trans	-104.7	119.9	164.5	-80.3	-174.6	160.8	0	0	109	T35 L39	T35-E37 PolarHBondContact O-N 3.41Å; T35-E37 VanDerWaalsContact O-N 3.11Å; E37-L39 PolarHBondContact O-N 2.86Å
38	S	34.9	Very low	48.5	Very low	120 Å²	120	106 Å²	106	84%	0.839	67%	0.672	S	S	*	*			trans	-63.9	112	170.5	56.9	0	0	0	0	109.4	G40	S38-G40 PolarHBondContact O-N 3.24Å
39	L	40.9	Very low	51.6	Low	131 Å²	131	104 Å²	104	69%	0.686	66%	0.664	S	S	*	*			trans	-66.7	115.7	170.6	-79	153.4	0	0	0	109.1	E37	E37-L39 PolarHBondContact O-N 2.86Å
40	G	37.2	Very low	54.9	Low	59 Å²	59	105.6 Å²	105.6	61%	0.608	66%	0.655	S	S	*	*			trans	-73.7	143.5	172	0	0	0	0	0	112.1	S38 G42	S38-G40 PolarHBondContact O-N 3.24Å; G40-G42 PolarHBondContact O-N 3.28Å
41	D	43.6	Very low	58.1	Low	131 Å²	131	103 Å²	103	70%	0.701	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	7.9	-170.8	-86.8	-33.9	0	0	0	117.5
42	G	46.8	Very low	61.3	Low	73 Å²	73	100.1 Å²	100.1	75%	0.753	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-7.1	-168.5	0	0	0	0	0	117.9	G40	G40-G42 PolarHBondContact O-N 3.28Å
43	N	60.6	Low	64.6	Low	158 Å²	158	94.4 Å²	94.4	85%	0.845	57%	0.569	S	S	*	*			trans	-146.8	21.4	-163.7	-131.9	12.1	0	0	0	116.3
44	L	78.3	Confident	67.8	Low	49 Å²	49	89.4 Å²	89.4	26%	0.257	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-81.8	122.1	-179.4	-63.6	172.3	0	0	0	111.2	P120 L122 F133	L44-P120 HydrophobicContact CD1-CG 4.15Å; L44-L122 HydrophobicContact CB-CD1 3.92Å; L44-F133 HydrophobicContact CB-CE2 4.29Å; L44-F133 HydrophobicContact CD1-CB 4.47Å; L44-F133 HydrophobicContact CD1-CD2 3.98Å; L44-F133 HydrophobicContact CD1-CE2 4.46Å; L44-F133 HydrophobicContact CD1-CG 4.21Å; L44-F133 HydrophobicContact CD2-CD1 4.42Å; L44-F133 HydrophobicContact CD2-CE1 4.35Å; L44-F133 HydrophobicContact CD2-CE2 4.47Å; L44-F133 HydrophobicContact CD2-CZ 4.36Å
45	S	88.4	Confident	70.9	Confident	95 Å²	95	89.6 Å²	89.6	66%	0.664	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-89.6	154.5	168.5	59.9	0	0	0	0	111	L122	S45-L122 WeakPolarHBondContact O-CD1 3.23Å
46	F	95.1	Very high	74.2	Confident	47 Å²	47	86 Å²	86	21%	0.206	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-60.3	125.2	177.6	-165.9	-91	0	0	0	110.2	W48 V93 L122 N124 Q129	F46-W48 VanDerWaalsContact C-N 3.26Å; F46-W48 HydrophobicContact CD1-CB 4.4Å; F46-W48 WeakPolarHBondContact CD1-O 3.29Å; F46-W48 HydrophobicContact CE1-CB 3.97Å; F46-W48 VanDerWaalsContact CE1-O 3.32Å; F46-W48 WeakPolarHBondContact CE1-O 3.3Å; F46-W48 PolarHBondContact O-N 3.23Å; F46-V93 HydrophobicContact CE1-CG1 4.33Å; F46-V93 HydrophobicContact CE1-CG2 4.47Å; F46-V93 HydrophobicContact CZ-CG1 4.06Å; F46-V93 HydrophobicContact CZ-CG2 4.34Å; F46-L122 HydrophobicContact CD2-CB 3.92Å; F46-N124 HydrophobicContact CD1-CB 3.94Å; F46-N124 HydrophobicContact CD2-CB 3.7Å; F46-N124 HydrophobicContact CE1-CB 3.82Å; F46-N124 HydrophobicContact CE2-CB 3.56Å; F46-N124 HydrophobicContact CG-CB 3.9Å; F46-N124 HydrophobicContact CZ-CB 3.65Å; F46-Q129 HydrophobicContact CE1-CB 4.33Å; F46-Q129 HydrophobicContact CE2-CB 4.5Å; F46-Q129 HydrophobicContact CZ-CB 3.64Å
47	P	93.9	Very high	77.1	Confident	32 Å²	32	80.8 Å²	80.8	21%	0.208	45%	0.447	C	S	.	.	S	Bend	trans	-79.6	-0.9	-163.6	29.9	-35.1	0	0	0	114.7	W91 V93 F133	P47-W91 HydrophobicContact CB-CB 4.4Å; P47-W91 HydrophobicContact CB-CD2 3.81Å; P47-W91 HydrophobicContact CB-CE3 4.32Å; P47-W91 HydrophobicContact CB-CG 3.82Å; P47-W91 HydrophobicContact CG-CB 4.17Å; P47-W91 HydrophobicContact CG-CD2 3.98Å; P47-W91 HydrophobicContact CG-CE3 4.1Å; P47-W91 HydrophobicContact CG-CG 4Å; P47-V93 HydrophobicContact CG-CG2 3.7Å; P47-F133 HydrophobicContact CB-CE1 4.44Å; P47-F133 HydrophobicContact CB-CE2 4.45Å; P47-F133 HydrophobicContact CB-CZ 3.81Å; P47-F133 HydrophobicContact CG-CE2 4.09Å; P47-F133 HydrophobicContact CG-CZ 3.94Å
48	W	96.3	Very high	80.2	Confident	50 Å²	50	74.3 Å²	74.3	19%	0.189	42%	0.419	C	S	.	.			trans	-140	130.1	-170.6	-170.3	-110.1	0	0	0	113.4	F46 R50 R52 P54 W91 V93	F46-W48 VanDerWaalsContact C-N 3.26Å; F46-W48 HydrophobicContact CD1-CB 4.4Å; F46-W48 WeakPolarHBondContact CD1-O 3.29Å; F46-W48 HydrophobicContact CE1-CB 3.97Å; F46-W48 VanDerWaalsContact CE1-O 3.32Å; F46-W48 WeakPolarHBondContact CE1-O 3.3Å; F46-W48 PolarHBondContact O-N 3.23Å; W48-R50 HydrophobicContact CZ2-CB 4.17Å; W48-R50 HydrophobicContact CZ2-CG 4.37Å; W48-R50 PolarHBondContact NE1-O 3.28Å; W48-R52 WeakPolarHBondContact CZ2-O 3.47Å; W48-R52 PolarHBondContact NE1-O 3.11Å; W48-P54 HydrophobicContact CD2-CG 3.86Å; W48-P54 HydrophobicContact CE3-CG 3.96Å; W48-P54 HydrophobicContact CG-CG 4.44Å; W48-P54 HydrophobicContact CH2-CB 3.96Å; W48-P54 HydrophobicContact CH2-CG 4.09Å; W48-P54 HydrophobicContact CZ2-CB 4.16Å; W48-P54 HydrophobicContact CZ2-CG 4Å; W48-P54 HydrophobicContact CZ3-CB 4.18Å; W48-P54 HydrophobicContact CZ3-CG 4.07Å; W48-W91 HydrophobicContact CD2-CH2 4.38Å; W48-W91 AromaticContact CE3-CH2 3.63Å; W48-W91 HydrophobicContact CE3-CH2 3.63Å; W48-W91 HydrophobicContact CE3-CZ2 4.35Å; W48-W91 HydrophobicContact CE3-CZ3 4.48Å; W48-W91 HydrophobicContact CZ3-CH2 4.13Å; W48-V93 HydrophobicContact CB-CB 4.39Å; W48-V93 HydrophobicContact CB-CG1 4.18Å; W48-V93 HydrophobicContact CB-CG2 3.86Å; W48-V93 HydrophobicContact CG-CG1 4.38Å
49	S	94.9	Very high	83.3	Confident	103 Å²	103	68.6 Å²	68.6	72%	0.72	38%	0.379	S	S	*	.			trans	-106.2	1.3	-171.7	60	0	0	0	0	114.9	H127	S49-H127 PolarHBondContact O-CE1 2.83Å
50	R	96.4	Very high	86	Confident	166 Å²	166	64.4 Å²	64.4	63%	0.626	36%	0.357	S	S	*	.			trans	-109.5	151	-176.4	-58	-179	-179.9	-177.9	-0.4	111.5	W48 H127 Q129	W48-R50 HydrophobicContact CZ2-CB 4.17Å; W48-R50 HydrophobicContact CZ2-CG 4.37Å; W48-R50 PolarHBondContact NE1-O 3.28Å; R50-H127 PolarHBondContact O-ND1 3.44Å; R50-Q129 PolarHBondContact O-NE2 3.32Å; R50-Q129 PolarHBondContact O-OE1 3.28Å
51	L	95.3	Very high	88.9	Confident	54 Å²	54	63.2 Å²	63.2	28%	0.283	34%	0.336	S	S	.	.	S	Bend	trans	-63.9	-42.4	170.2	-74	170.2	0	0	0	111.7	H127 Q129 E423	L51-H127 HydrophobicContact CD2-CB 3.92Å; L51-H127 VanDerWaalsContact CD2-CD2 3.42Å; L51-H127 WeakPolarHBondContact CD2-CD2 3.31Å; L51-Q129 PolarHBondContact O-NE2 3.48Å; L51-E423 HydrophobicContact CD1-CB 4.34Å
52	R	97.8	Very high	91.6	Very high	60 Å²	60	57 Å²	57	23%	0.226	30%	0.302	C	S	.	.	S	Bend	trans	-71.4	132.5	175.1	-63.5	-62.1	-58.5	-91.6	6.6	110.8	W48 E195	W48-R52 WeakPolarHBondContact CZ2-O 3.47Å; W48-R52 PolarHBondContact NE1-O 3.11Å; R52-E195 VanDerWaalsContact CA-OE1 3.29Å; R52-E195 WeakPolarHBondContact CA-OE1 3.17Å; R52-E195 IonicContact CZ-OE2 3.82Å; R52-E195 VanDerWaalsContact NE-CD 3.31Å; R52-E195 IonicContact NE-OE1 3.43Å; R52-E195 PolarHBondContact NE-OE1 3.37Å; R52-E195 IonicContact NE-OE2 3.71Å; R52-E195 PolarHBondContact NE-OE2 3.07Å; R52-E195 IonicContact NH2-OE2 3.74Å; R52-E195 PolarHBondContact NH2-OE2 3.23Å
53	L	98.3	Very high	94	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.031	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-65.5	156.5	178.7	-65.8	-179.6	0	0	0	112.2	R55 V93 H95 Q129 F193 E195 F198	L53-R55 PolarHBondContact O-N 2.92Å; L53-V93 HydrophobicContact CD2-CG1 3.91Å; L53-H95 VanDerWaalsContact CG-CE1 3.47Å; L53-H95 WeakPolarHBondContact CG-CE1 3.47Å; L53-Q129 HydrophobicContact CD2-CG 4.16Å; L53-F193 HydrophobicContact CD1-CB 4.02Å; L53-F193 HydrophobicContact CD1-CD1 3.82Å; L53-F193 HydrophobicContact CD1-CG 4.28Å; L53-E195 PolarHBondContact N-OE1 2.85Å; L53-F198 HydrophobicContact CB-CE2 3.98Å; L53-F198 HydrophobicContact CB-CZ 4.32Å; L53-F198 HydrophobicContact CD1-CE2 4.21Å
54	P	97.2	Very high	95.9	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.019	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-62.7	131.8	169.7	-6.4	16.4	0	0	0	111.1	W48 Y56 W91	W48-P54 HydrophobicContact CD2-CG 3.86Å; W48-P54 HydrophobicContact CE3-CG 3.96Å; W48-P54 HydrophobicContact CG-CG 4.44Å; W48-P54 HydrophobicContact CH2-CB 3.96Å; W48-P54 HydrophobicContact CH2-CG 4.09Å; W48-P54 HydrophobicContact CZ2-CB 4.16Å; W48-P54 HydrophobicContact CZ2-CG 4Å; W48-P54 HydrophobicContact CZ3-CB 4.18Å; W48-P54 HydrophobicContact CZ3-CG 4.07Å; P54-Y56 HydrophobicContact CB-CD1 4.07Å; P54-Y56 HydrophobicContact CB-CE1 3.59Å; P54-Y56 HydrophobicContact CB-CE2 4.32Å; P54-Y56 PolarHBondContact O-N 2.65Å; P54-W91 HydrophobicContact CB-CH2 4.37Å; P54-W91 HydrophobicContact CG-CH2 3.71Å; P54-W91 HydrophobicContact CG-CZ3 3.58Å
55	R	96.6	Very high	96.8	Very high	137 Å²	137	47.9 Å²	47.9	52%	0.517	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.6	-177	-69.2	-170.4	169.9	-158.1	-8.8	115.2	L53 F198 D366	L53-R55 PolarHBondContact O-N 2.92Å; R55-F198 HydrophobicContact CG-CZ 4.49Å; R55-D366 IonicContact NH2-OD2 2.89Å; R55-D366 PolarHBondContact NH2-OD2 2.95Å
56	Y	96.4	Very high	97.3	Very high	49 Å²	49	43.4 Å²	43.4	19%	0.192	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	6.1	-176.8	57.9	-101.3	0	0	0	113.9	P54 Q86 N87 T89 W91	P54-Y56 HydrophobicContact CB-CD1 4.07Å; P54-Y56 HydrophobicContact CB-CE1 3.59Å; P54-Y56 HydrophobicContact CB-CE2 4.32Å; P54-Y56 PolarHBondContact O-N 2.65Å; Y56-Q86 WeakPolarHBondContact O-CB 3.17Å; Y56-Q86 PolarHBondContact O-N 2.85Å; Y56-N87 HydrophobicContact CD2-CB 3.83Å; Y56-N87 HydrophobicContact CG-CB 3.84Å; Y56-T89 HydrophobicContact CE2-CG2 4.37Å; Y56-W91 AromaticContact CZ-CH2 4Å; Y56-W91 WeakPolarHBondContact OH-CH2 3.38Å; Y56-W91 WeakPolarHBondContact OH-CZ2 3.28Å
57	I	97.7	Very high	97.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	109.3	168.6	-53.1	175.2	0	0	0	106.2	I83 T89 V92 F193	I57-I83 HydrophobicContact CG2-CB 4.01Å; I57-I83 HydrophobicContact CG2-CD1 3.97Å; I57-I83 HydrophobicContact CG2-CG2 4.25Å; I57-T89 HydrophobicContact CD1-CG2 4.09Å; I57-T89 HydrophobicContact CG1-CG2 4.48Å; I57-V92 HydrophobicContact CD1-CB 4.36Å; I57-V92 HydrophobicContact CD1-CG1 4.22Å; I57-V92 HydrophobicContact CD1-CG2 4.26Å; I57-V92 HydrophobicContact CG2-CG1 4.37Å; I57-F193 HydrophobicContact CB-CE1 4.2Å; I57-F193 HydrophobicContact CB-CZ 4.41Å; I57-F193 HydrophobicContact CG2-CE1 4.03Å; I57-F193 HydrophobicContact CG2-CZ 3.74Å
58	V	98.2	Very high	97.7	Very high	36 Å²	36	42.5 Å²	42.5	22%	0.218	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.3	-170.9	-177.9	0	0	0	0	109.2	I83 D84	V58-I83 CarbonylContact O-C 3.57Å; V58-I83 WeakPolarHBondContact O-CA 3.37Å; V58-D84 PolarHBondContact N-O 3.36Å; V58-D84 PolarHBondContact O-N 2.96Å
59	P	98.6	Very high	97.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	143.2	172.9	33.3	-35.7	0	0	0	110.2	Y62 I81 F193 F198 A200	P59-Y62 HydrophobicContact CB-CE2 3.72Å; P59-Y62 HydrophobicContact CG-CE2 4.29Å; P59-I81 HydrophobicContact CB-CG2 3.95Å; P59-F193 HydrophobicContact CB-CD2 3.87Å; P59-F193 HydrophobicContact CB-CE2 4.33Å; P59-F193 HydrophobicContact CB-CG 4.43Å; P59-F193 HydrophobicContact CG-CB 3.96Å; P59-F193 HydrophobicContact CG-CD2 3.96Å; P59-F193 HydrophobicContact CG-CG 4.01Å; P59-F198 HydrophobicContact CG-CB 3.82Å; P59-F198 HydrophobicContact CG-CD1 4.33Å; P59-F198 HydrophobicContact CG-CG 4.41Å; P59-A200 HydrophobicContact CB-CB 4.39Å
60	L	98.5	Very high	97.8	Very high	43 Å²	43	38.8 Å²	38.8	23%	0.225	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-42.5	177.7	-59.4	-177.7	0	0	0	111.6	Q82 D84 K143 N201	L60-Q82 HydrophobicContact CB-CB 4.44Å; L60-Q82 HydrophobicContact CB-CG 4.45Å; L60-Q82 HydrophobicContact CD1-CG 4.47Å; L60-Q82 PolarHBondContact N-O 3.47Å; L60-D84 HydrophobicContact CD1-CB 4.07Å; L60-D84 HydrophobicContact CD2-CB 4.39Å; L60-D84 HydrophobicContact CG-CB 4.24Å; L60-K143 HydrophobicContact CD1-CD 3.88Å; L60-K143 HydrophobicContact CD1-CG 4.47Å; L60-N201 PolarHBondContact O-N 2.86Å
61	H	98.9	Very high	97.7	Very high	33 Å²	33	37 Å²	37	15%	0.153	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	133.8	-174.8	-159.9	120	0	0	0	111.2	H63 I81 Q82 N201 S203	H61-H63 AromaticContact CD2-CD2 3.99Å; H61-H63 AromaticContact CD2-CE1 3.41Å; H61-H63 PolarHBondContact CD2-CE1 2.86Å; H61-H63 VanDerWaalsContact CD2-CE1 3.41Å; H61-H63 AromaticContact CD2-ND1 3.77Å; H61-H63 AromaticContact CD2-NE2 3.55Å; H61-H63 AromaticContact NE2-CE1 3.39Å; H61-H63 PolarHBondContact NE2-CE1 3.02Å; H61-H63 AromaticContact NE2-ND1 3.69Å; H61-I81 CarbonylContact O-C 3.59Å; H61-I81 WeakPolarHBondContact O-CA 3.07Å; H61-Q82 HydrophobicContact CB-CB 4.14Å; H61-Q82 PolarHBondContact O-N 3.34Å; H61-N201 CarbonylContact C-O 3.47Å; H61-N201 WeakPolarHBondContact CA-O 3.37Å; H61-S203 PolarHBondContact CE1-OG 3.29Å; H61-S203 PolarHBondContact NE2-OG 2.95Å
62	Y	98.9	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.9	172.8	-70.2	-100	0	0	0	110.7	P59 V79 I81 F190 C192 F193 A200 N201 F202 S203	P59-Y62 HydrophobicContact CB-CE2 3.72Å; P59-Y62 HydrophobicContact CG-CE2 4.29Å; Y62-V79 HydrophobicContact CD1-CG2 3.96Å; Y62-I81 HydrophobicContact CD1-CB 4.4Å; Y62-I81 HydrophobicContact CD1-CD1 4.04Å; Y62-I81 HydrophobicContact CD1-CG1 3.7Å; Y62-I81 HydrophobicContact CD1-CG2 4.09Å; Y62-I81 HydrophobicContact CE1-CB 4.31Å; Y62-I81 HydrophobicContact CE1-CD1 3.46Å; Y62-I81 VanDerWaalsContact CE1-CD1 3.46Å; Y62-I81 HydrophobicContact CE1-CG1 3.63Å; Y62-I81 HydrophobicContact CE1-CG2 3.77Å; Y62-I81 HydrophobicContact CE2-CG2 4.22Å; Y62-I81 HydrophobicContact CG-CG2 4.44Å; Y62-F190 HydrophobicContact CD1-CE2 4.38Å; Y62-F190 HydrophobicContact CE1-CE2 4.45Å; Y62-C192 HydrophobicContact CE1-CB 3.75Å; Y62-F193 WeakPolarHBondContact OH-CD2 3.07Å; Y62-F193 PolarHBondContact OH-N 3.28Å; Y62-F193 VanDerWaalsContact OH-N 3.15Å; Y62-A200 HydrophobicContact CD2-CB 3.63Å; Y62-A200 HydrophobicContact CE2-CB 3.54Å; Y62-N201 PolarHBondContact N-O 3.33Å; Y62-F202 VanDerWaalsContact CB-CD1 3.5Å; Y62-F202 HydrophobicContact CD1-CE1 4.14Å; Y62-F202 AromaticContact CD2-CD1 3.89Å; Y62-F202 HydrophobicContact CD2-CD1 3.89Å; Y62-F202 AromaticContact CD2-CE1 3.35Å; Y62-F202 HydrophobicContact CD2-CE1 3.35Å; Y62-F202 HydrophobicContact CD2-CE2 4.4Å; Y62-F202 AromaticContact CD2-CZ 3.66Å; Y62-F202 HydrophobicContact CD2-CZ 3.66Å; Y62-F202 AromaticContact CE2-CE1 3.91Å; Y62-F202 HydrophobicContact CE2-CE1 3.91Å; Y62-F202 AromaticContact CE2-CZ 3.91Å; Y62-F202 HydrophobicContact CE2-CZ 3.91Å; Y62-F202 AromaticContact CG-CD1 3.79Å; Y62-F202 HydrophobicContact CG-CD1 3.79Å; Y62-F202 AromaticContact CG-CE1 3.5Å; Y62-F202 HydrophobicContact CG-CE1 3.5Å; Y62-F202 HydrophobicContact CG-CZ 4.28Å; Y62-F202 CarbonylContact O-C 3.45Å; Y62-F202 WeakPolarHBondContact O-CA 3.41Å; Y62-S203 PolarHBondContact O-N 3.26Å
63	H	98.8	Very high	97.7	Very high	58 Å²	58	37.5 Å²	37.5	27%	0.269	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.3	164.3	-55.1	-78.3	0	0	0	108.3	H61 V79 Q80	H61-H63 AromaticContact CD2-CD2 3.99Å; H61-H63 AromaticContact CD2-CE1 3.41Å; H61-H63 PolarHBondContact CD2-CE1 2.86Å; H61-H63 VanDerWaalsContact CD2-CE1 3.41Å; H61-H63 AromaticContact CD2-ND1 3.77Å; H61-H63 AromaticContact CD2-NE2 3.55Å; H61-H63 AromaticContact NE2-CE1 3.39Å; H61-H63 PolarHBondContact NE2-CE1 3.02Å; H61-H63 AromaticContact NE2-ND1 3.69Å; H63-V79 WeakPolarHBondContact O-CA 3.23Å; H63-Q80 HydrophobicContact CB-CB 4.18Å; H63-Q80 PolarHBondContact N-O 3Å; H63-Q80 PolarHBondContact O-N 2.81Å
64	L	98.8	Very high	97.7	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.4	-177.3	-66.3	172.9	0	0	0	109.6	V79 F190 F202 S203 V204 R205	L64-V79 HydrophobicContact CD2-CB 3.7Å; L64-V79 HydrophobicContact CD2-CG2 3.46Å; L64-V79 VanDerWaalsContact CD2-CG2 3.46Å; L64-F190 HydrophobicContact CD1-CD1 4.16Å; L64-F190 HydrophobicContact CD1-CD2 4.19Å; L64-F190 HydrophobicContact CD1-CE1 4.06Å; L64-F190 HydrophobicContact CD1-CE2 4.06Å; L64-F190 HydrophobicContact CD1-CG 4.25Å; L64-F190 HydrophobicContact CD1-CZ 4.01Å; L64-F190 HydrophobicContact CD2-CB 3.94Å; L64-F190 HydrophobicContact CD2-CD1 4.4Å; L64-F190 HydrophobicContact CD2-CD2 3.75Å; L64-F190 HydrophobicContact CD2-CE2 4.37Å; L64-F190 HydrophobicContact CD2-CG 3.77Å; L64-F202 HydrophobicContact CD1-CD1 4.05Å; L64-S203 PolarHBondContact N-O 2.91Å; L64-V204 HydrophobicContact CD1-CG2 4.45Å; L64-V204 CarbonylContact O-C 3.58Å; L64-R205 PolarHBondContact O-N 2.9Å
65	L	98.8	Very high	97.8	Very high	29 Å²	29	39.1 Å²	39.1	15%	0.152	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.9	166	169.3	67.4	0	0	0	107.7	G77 T78 R205 R207	L65-G77 CarbonylContact O-C 3.54Å; L65-G77 WeakPolarHBondContact O-CA 3.44Å; L65-T78 PolarHBondContact N-O 3.44Å; L65-T78 PolarHBondContact O-N 2.89Å; L65-R205 WeakPolarHBondContact CA-O 3.18Å; L65-R205 HydrophobicContact CD1-CB 3.78Å; L65-R207 HydrophobicContact CD1-CG 4.09Å
66	L	98.8	Very high	97.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.7	177.2	-61.9	163.8	0	0	0	110.2	F75 F150 R205 I206 R207 F248	L66-F75 HydrophobicContact CD2-CD2 4.17Å; L66-F75 HydrophobicContact CD2-CE2 4.38Å; L66-F150 HydrophobicContact CD2-CE2 4.02Å; L66-F150 HydrophobicContact CD2-CZ 3.96Å; L66-R205 PolarHBondContact N-O 3.16Å; L66-I206 HydrophobicContact CB-CD1 3.81Å; L66-I206 HydrophobicContact CD1-CD1 3.95Å; L66-I206 HydrophobicContact CG-CD1 4.4Å; L66-I206 WeakPolarHBondContact O-CA 3.44Å; L66-R207 PolarHBondContact O-N 2.9Å; L66-F248 HydrophobicContact CD1-CD1 3.87Å; L66-F248 HydrophobicContact CD1-CD2 3.72Å; L66-F248 HydrophobicContact CD1-CE1 3.44Å; L66-F248 VanDerWaalsContact CD1-CE1 3.44Å; L66-F248 HydrophobicContact CD1-CE2 3.26Å; L66-F248 HydrophobicContact CD1-CG 4.01Å; L66-F248 HydrophobicContact CD1-CZ 3.11Å
67	H	98.4	Very high	98	Very high	51 Å²	51	33.6 Å²	33.6	24%	0.236	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	80.3	178.1	-176.7	-156.8	0	0	0	109.3	F75 T76 R207	H67-F75 WeakPolarHBondContact O-CA 3.37Å; H67-T76 PolarHBondContact N-O 3.41Å; H67-T76 PolarHBondContact O-N 3.39Å; H67-R207 HydrophobicContact CB-CB 3.95Å; H67-R207 VanDerWaalsContact CD2-CB 3.46Å; H67-R207 WeakPolarHBondContact CD2-CB 3.37Å
68	P	98.1	Very high	98	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.052	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	142.1	171.3	30.1	-35	0	0	0	111.6	F75 F161 V250	P68-F75 HydrophobicContact CB-CB 4.17Å; P68-F161 HydrophobicContact CB-CE1 3.81Å; P68-F161 HydrophobicContact CB-CZ 3.77Å; P68-F161 HydrophobicContact CG-CE1 4.25Å; P68-F161 HydrophobicContact CG-CZ 3.94Å; P68-V250 HydrophobicContact CG-CB 4.44Å; P68-V250 HydrophobicContact CG-CG2 3.72Å
69	N	96.9	Very high	98.1	Very high	64 Å²	64	33.6 Å²	33.6	34%	0.342	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	108.7	171.1	-176.7	-32.6	0	0	0	108.9	T71 T72 L73 S74	N69-T71 PolarHBondContact O-N 3.38Å; N69-T71 WeakPolarHBondContact OD1-CA 3.38Å; N69-T71 VanDerWaalsContact OD1-CB 3.3Å; N69-T71 WeakPolarHBondContact OD1-CB 3.14Å; N69-T71 PolarHBondContact OD1-N 2.79Å; N69-T72 VanDerWaalsContact CB-OG1 3.31Å; N69-T72 WeakPolarHBondContact CB-OG1 3.27Å; N69-T72 PolarHBondContact OD1-N 3.17Å; N69-L73 WeakPolarHBondContact O-CA 3.11Å; N69-L73 PolarHBondContact O-N 3.14Å; N69-S74 PolarHBondContact N-O 3.46Å; N69-S74 PolarHBondContact O-N 3.46Å
70	L	96.6	Very high	98.1	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.063	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.7	-177.2	-59.5	-177.9	0	0	0	113.6	L73 L154 F175 A177 Y212 V250	L70-L73 WeakPolarHBondContact O-CD2 3.39Å; L70-L154 HydrophobicContact CD2-CD1 3.97Å; L70-F175 HydrophobicContact CB-CB 4.4Å; L70-A177 HydrophobicContact CD2-CB 3.58Å; L70-Y212 HydrophobicContact CB-CE2 4.33Å; L70-Y212 HydrophobicContact CD1-CD1 3.93Å; L70-Y212 HydrophobicContact CD1-CD2 4.04Å; L70-Y212 HydrophobicContact CD1-CE1 3.62Å; L70-Y212 HydrophobicContact CD1-CE2 3.78Å; L70-Y212 HydrophobicContact CD1-CG 4.13Å; L70-Y212 HydrophobicContact CG-CE2 4.46Å; L70-V250 HydrophobicContact CD1-CB 4.44Å; L70-V250 HydrophobicContact CD1-CG1 3.96Å
71	T	94.3	Very high	98.1	Very high	129 Å²	129	33.6 Å²	33.6	79%	0.791	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-46.6	171.6	-49.1	0	0	0	0	111.2	N69 L73	N69-T71 PolarHBondContact O-N 3.38Å; N69-T71 WeakPolarHBondContact OD1-CA 3.38Å; N69-T71 VanDerWaalsContact OD1-CB 3.3Å; N69-T71 WeakPolarHBondContact OD1-CB 3.14Å; N69-T71 PolarHBondContact OD1-N 2.79Å; T71-L73 VanDerWaalsContact C-N 3.35Å
72	T	96.5	Very high	98.1	Very high	86 Å²	86	34.2 Å²	34.2	53%	0.528	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.3	178.4	60.8	0	0	0	0	113.2	N69 S74	N69-T72 VanDerWaalsContact CB-OG1 3.31Å; N69-T72 WeakPolarHBondContact CB-OG1 3.27Å; N69-T72 PolarHBondContact OD1-N 3.17Å; T72-S74 VanDerWaalsContact C-N 3.26Å; T72-S74 PolarHBondContact O-N 2.78Å; T72-S74 PolarHBondContact OG1-OG 2.86Å
73	L	97.3	Very high	98	Very high	37 Å²	37	34.2 Å²	34.2	19%	0.194	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	39.3	-177.7	-55	176.5	0	0	0	113	N69 L70 T71 L154 K163 F175	N69-L73 WeakPolarHBondContact O-CA 3.11Å; N69-L73 PolarHBondContact O-N 3.14Å; L70-L73 WeakPolarHBondContact O-CD2 3.39Å; T71-L73 VanDerWaalsContact C-N 3.35Å; L73-L154 PolarHBondContact O-N 3.14Å; L73-K163 HydrophobicContact CD1-CD 3.84Å; L73-K163 HydrophobicContact CD2-CD 4.25Å; L73-F175 HydrophobicContact CD2-CD1 3.95Å; L73-F175 HydrophobicContact CD2-CE1 4.38Å
74	S	98	Very high	98	Very high	41 Å²	41	33.2 Å²	33.2	29%	0.287	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	165.6	178.6	62.2	0	0	0	0	111.3	N69 T72 A152	N69-S74 PolarHBondContact N-O 3.46Å; N69-S74 PolarHBondContact O-N 3.46Å; T72-S74 VanDerWaalsContact C-N 3.26Å; T72-S74 PolarHBondContact O-N 2.78Å; T72-S74 PolarHBondContact OG1-OG 2.86Å; S74-A152 WeakPolarHBondContact CA-O 3.21Å
75	F	98.6	Very high	98	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.013	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.7	175.9	68.9	-81.3	0	0	0	112	L66 H67 P68 L99 F150 E151 A152 L154 F161 A189	L66-F75 HydrophobicContact CD2-CD2 4.17Å; L66-F75 HydrophobicContact CD2-CE2 4.38Å; H67-F75 WeakPolarHBondContact O-CA 3.37Å; P68-F75 HydrophobicContact CB-CB 4.17Å; F75-L99 HydrophobicContact CE2-CD2 4.39Å; F75-L99 HydrophobicContact CZ-CD2 3.97Å; F75-F150 HydrophobicContact CD2-CE2 4.46Å; F75-F150 HydrophobicContact CE2-CD2 4.34Å; F75-F150 AromaticContact CE2-CE2 3.93Å; F75-F150 HydrophobicContact CE2-CE2 3.93Å; F75-E151 WeakPolarHBondContact O-CA 3.48Å; F75-A152 HydrophobicContact CD1-CB 4.44Å; F75-A152 WeakPolarHBondContact CD1-O 3.09Å; F75-A152 HydrophobicContact CE1-CB 3.67Å; F75-A152 HydrophobicContact CZ-CB 3.74Å; F75-A152 PolarHBondContact N-O 3.46Å; F75-A152 PolarHBondContact O-N 3.49Å; F75-L154 HydrophobicContact CD1-CD2 3.89Å; F75-L154 HydrophobicContact CD1-CG 4.4Å; F75-L154 HydrophobicContact CE1-CD2 4.44Å; F75-F161 HydrophobicContact CB-CD1 4.3Å; F75-F161 HydrophobicContact CB-CE1 4.03Å; F75-F161 AromaticContact CD1-CD1 3.68Å; F75-F161 HydrophobicContact CD1-CD1 3.68Å; F75-F161 HydrophobicContact CD1-CE1 4.24Å; F75-F161 AromaticContact CD2-CD1 3.9Å; F75-F161 HydrophobicContact CD2-CD1 3.9Å; F75-F161 HydrophobicContact CD2-CE1 4.26Å; F75-F161 HydrophobicContact CE1-CB 4.29Å; F75-F161 AromaticContact CE1-CD1 3.86Å; F75-F161 HydrophobicContact CE1-CD1 3.86Å; F75-F161 HydrophobicContact CE2-CD1 4.06Å; F75-F161 AromaticContact CG-CD1 3.7Å; F75-F161 HydrophobicContact CG-CD1 3.7Å; F75-F161 AromaticContact CG-CE1 3.94Å; F75-F161 HydrophobicContact CG-CE1 3.94Å; F75-F161 HydrophobicContact CZ-CB 4.31Å; F75-F161 HydrophobicContact CZ-CD1 4.04Å; F75-A189 WeakPolarHBondContact CE2-O 3.46Å
76	T	98.8	Very high	97.9	Very high	63 Å²	63	36 Å²	36	39%	0.387	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.6	167.4	54.5	0	0	0	0	108.9	H67 F150 E151	H67-T76 PolarHBondContact N-O 3.41Å; H67-T76 PolarHBondContact O-N 3.39Å; T76-F150 CarbonylContact C-O 3.56Å; T76-F150 WeakPolarHBondContact CA-O 3.25Å; T76-E151 HydrophobicContact CG2-CB 4.05Å
77	G	98.5	Very high	97.7	Very high	7 Å²	7	40.3 Å²	40.3	7%	0.072	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	158	-179.8	0	0	0	0	0	113.9	L65 F150	L65-G77 CarbonylContact O-C 3.54Å; L65-G77 WeakPolarHBondContact O-CA 3.44Å; G77-F150 PolarHBondContact N-O 2.79Å; G77-F150 PolarHBondContact O-N 2.59Å
78	T	98.8	Very high	97.7	Very high	36 Å²	36	43.2 Å²	43.2	22%	0.221	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.1	168	70.9	0	0	0	0	109.1	L65 M148 E149	L65-T78 PolarHBondContact N-O 3.44Å; L65-T78 PolarHBondContact O-N 2.89Å; T78-M148 CarbonylContact C-O 3.56Å; T78-M148 VanDerWaalsContact CA-O 3.28Å; T78-M148 WeakPolarHBondContact CA-O 3.49Å; T78-E149 HydrophobicContact CG2-CG 3.97Å
79	V	98.8	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.2	172.8	61.3	0	0	0	0	109.9	Y62 H63 L64 I81 Y147 M148 F150	Y62-V79 HydrophobicContact CD1-CG2 3.96Å; H63-V79 WeakPolarHBondContact O-CA 3.23Å; L64-V79 HydrophobicContact CD2-CB 3.7Å; L64-V79 HydrophobicContact CD2-CG2 3.46Å; L64-V79 VanDerWaalsContact CD2-CG2 3.46Å; V79-I81 HydrophobicContact CG2-CD1 4.15Å; V79-I81 HydrophobicContact CG2-CG1 3.57Å; V79-Y147 CarbonylContact O-C 3.59Å; V79-Y147 WeakPolarHBondContact O-CA 3.2Å; V79-M148 HydrophobicContact CG1-CB 3.88Å; V79-M148 HydrophobicContact CG1-CE 3.52Å; V79-M148 PolarHBondContact N-O 2.51Å; V79-M148 PolarHBondContact O-N 3Å; V79-F150 HydrophobicContact CB-CE1 4.05Å; V79-F150 HydrophobicContact CG1-CD1 4.31Å; V79-F150 HydrophobicContact CG1-CE1 3.87Å
80	Q	98.5	Very high	97.5	Very high	44 Å²	44	43 Å²	43	21%	0.206	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.6	166.3	-171.4	-176.9	54.3	0	0	108.9	H63 F145 L146 Y147	H63-Q80 HydrophobicContact CB-CB 4.18Å; H63-Q80 PolarHBondContact N-O 3Å; H63-Q80 PolarHBondContact O-N 2.81Å; Q80-F145 HydrophobicContact CG-CB 4Å; Q80-F145 HydrophobicContact CG-CD1 3.97Å; Q80-F145 HydrophobicContact CG-CG 4.4Å; Q80-L146 CarbonylContact C-O 3.58Å; Q80-L146 VanDerWaalsContact CA-O 3.24Å; Q80-L146 WeakPolarHBondContact CA-O 3.39Å; Q80-Y147 HydrophobicContact CB-CD2 4.29Å
81	I	98.7	Very high	97.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.4	-177.3	-43	177.8	0	0	0	108.6	P59 H61 Y62 V79 I83 L94 F145 L146 M148 F193	P59-I81 HydrophobicContact CB-CG2 3.95Å; H61-I81 CarbonylContact O-C 3.59Å; H61-I81 WeakPolarHBondContact O-CA 3.07Å; Y62-I81 HydrophobicContact CD1-CB 4.4Å; Y62-I81 HydrophobicContact CD1-CD1 4.04Å; Y62-I81 HydrophobicContact CD1-CG1 3.7Å; Y62-I81 HydrophobicContact CD1-CG2 4.09Å; Y62-I81 HydrophobicContact CE1-CB 4.31Å; Y62-I81 HydrophobicContact CE1-CD1 3.46Å; Y62-I81 VanDerWaalsContact CE1-CD1 3.46Å; Y62-I81 HydrophobicContact CE1-CG1 3.63Å; Y62-I81 HydrophobicContact CE1-CG2 3.77Å; Y62-I81 HydrophobicContact CE2-CG2 4.22Å; Y62-I81 HydrophobicContact CG-CG2 4.44Å; V79-I81 HydrophobicContact CG2-CD1 4.15Å; V79-I81 HydrophobicContact CG2-CG1 3.57Å; I81-I83 HydrophobicContact CB-CG2 4.38Å; I81-I83 HydrophobicContact CG2-CG2 3.88Å; I81-I83 PolarHBondContact O-N 2.91Å; I81-L94 HydrophobicContact CD1-CD1 4.09Å; I81-F145 CarbonylContact O-C 3.42Å; I81-F145 VanDerWaalsContact O-CA 3.29Å; I81-F145 WeakPolarHBondContact O-CA 3.41Å; I81-L146 HydrophobicContact CB-CB 4.36Å; I81-L146 HydrophobicContact CD1-CD2 4.31Å; I81-L146 PolarHBondContact N-O 3.22Å; I81-L146 PolarHBondContact O-N 2.91Å; I81-M148 HydrophobicContact CD1-CE 3.98Å; I81-F193 HydrophobicContact CG2-CE2 4.44Å
82	Q	98.6	Very high	97.6	Very high	47 Å²	47	37.9 Å²	37.9	22%	0.22	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.7	165.7	-168.9	177.5	33.6	0	0	108.8	L60 H61 Y144 F145	L60-Q82 HydrophobicContact CB-CB 4.44Å; L60-Q82 HydrophobicContact CB-CG 4.45Å; L60-Q82 HydrophobicContact CD1-CG 4.47Å; L60-Q82 PolarHBondContact N-O 3.47Å; H61-Q82 HydrophobicContact CB-CB 4.14Å; H61-Q82 PolarHBondContact O-N 3.34Å; Q82-Y144 CarbonylContact C-O 3.51Å; Q82-Y144 WeakPolarHBondContact CA-O 3.39Å; Q82-F145 HydrophobicContact CB-CD1 3.81Å; Q82-F145 HydrophobicContact CB-CE1 3.59Å; Q82-F145 HydrophobicContact CB-CZ 4.34Å; Q82-F145 HydrophobicContact CG-CD1 4.16Å; Q82-F145 HydrophobicContact CG-CE1 3.7Å; Q82-F145 HydrophobicContact CG-CZ 3.94Å
83	I	98.4	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.4	179.4	59.8	174.2	0	0	0	110.7	I57 V58 I81 V85 V92 K143 Y144 F193	I57-I83 HydrophobicContact CG2-CB 4.01Å; I57-I83 HydrophobicContact CG2-CD1 3.97Å; I57-I83 HydrophobicContact CG2-CG2 4.25Å; V58-I83 CarbonylContact O-C 3.57Å; V58-I83 WeakPolarHBondContact O-CA 3.37Å; I81-I83 HydrophobicContact CB-CG2 4.38Å; I81-I83 HydrophobicContact CG2-CG2 3.88Å; I81-I83 PolarHBondContact O-N 2.91Å; I83-V85 HydrophobicContact CD1-CG2 4.27Å; I83-V85 HydrophobicContact CG1-CG2 4.49Å; I83-V92 HydrophobicContact CD1-CG2 4.02Å; I83-K143 CarbonylContact O-C 3.53Å; I83-K143 WeakPolarHBondContact O-CA 3.4Å; I83-Y144 PolarHBondContact N-O 3.04Å; I83-Y144 PolarHBondContact O-N 3.13Å; I83-F193 HydrophobicContact CG2-CE2 3.91Å; I83-F193 HydrophobicContact CG2-CZ 4.17Å
84	D	98	Very high	97.7	Very high	37 Å²	37	32 Å²	32	20%	0.198	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.6	168.4	-175.3	30.1	0	0	0	109.6	V58 L60	V58-D84 PolarHBondContact N-O 3.36Å; V58-D84 PolarHBondContact O-N 2.96Å; L60-D84 HydrophobicContact CD1-CB 4.07Å; L60-D84 HydrophobicContact CD2-CB 4.39Å; L60-D84 HydrophobicContact CG-CB 4.24Å
85	V	97.8	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.7	-176.1	175.8	0	0	0	0	108.4	I83 N87 T89 L138 S140 G141 Q142 Y144	I83-V85 HydrophobicContact CD1-CG2 4.27Å; I83-V85 HydrophobicContact CG1-CG2 4.49Å; V85-N87 WeakPolarHBondContact CG1-O 3.38Å; V85-T89 HydrophobicContact CG1-CG2 4.04Å; V85-L138 HydrophobicContact CG1-CB 4.13Å; V85-L138 HydrophobicContact CG2-CB 4.16Å; V85-L138 HydrophobicContact CG2-CD1 4.39Å; V85-S140 CarbonylContact O-C 3.45Å; V85-S140 VanDerWaalsContact O-CA 3.27Å; V85-S140 WeakPolarHBondContact O-CA 3.47Å; V85-G141 PolarHBondContact O-N 2.92Å; V85-Q142 PolarHBondContact N-O 2.8Å; V85-Y144 HydrophobicContact CB-CD2 4.43Å; V85-Y144 HydrophobicContact CB-CE2 4.38Å; V85-Y144 HydrophobicContact CG2-CD2 3.75Å; V85-Y144 HydrophobicContact CG2-CE2 4.11Å
86	Q	96.7	Very high	97.8	Very high	90 Å²	90	30.7 Å²	30.7	42%	0.421	16%	0.162	S	C	.	.			trans	-90.6	-26.1	-176	-60.4	-176.2	-10.4	0	0	112.6	Y56 S140	Y56-Q86 WeakPolarHBondContact O-CB 3.17Å; Y56-Q86 PolarHBondContact O-N 2.85Å; Q86-S140 WeakPolarHBondContact O-CB 3.28Å; Q86-S140 PolarHBondContact O-OG 2.93Å
87	N	96.6	Very high	97.7	Very high	91 Å²	91	31.9 Å²	31.9	49%	0.487	16%	0.162	S	C	.	.	S	Bend	trans	-124.5	142.8	174.4	-69.8	8.3	0	0	0	110.4	Y56 V85 T89	Y56-N87 HydrophobicContact CD2-CB 3.83Å; Y56-N87 HydrophobicContact CG-CB 3.84Å; V85-N87 WeakPolarHBondContact CG1-O 3.38Å; N87-T89 PolarHBondContact O-N 2.91Å
88	N	97.1	Very high	97.6	Very high	112 Å²	112	35 Å²	35	60%	0.599	19%	0.194	S	C	*	.			trans	-55.1	126.2	175	-70.8	-3.2	0	0	0	110.5	V137 L138 S140	N88-V137 HydrophobicContact CB-CG1 4.03Å; N88-L138 WeakPolarHBondContact CA-O 3.47Å; N88-S140 WeakPolarHBondContact OD1-CB 3.38Å; N88-S140 PolarHBondContact OD1-N 3.1Å
89	T	96.2	Very high	97.6	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.049	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154	179.4	-178.3	0	0	0	0	109.8	Y56 I57 V85 N87 W91 L138	Y56-T89 HydrophobicContact CE2-CG2 4.37Å; I57-T89 HydrophobicContact CD1-CG2 4.09Å; I57-T89 HydrophobicContact CG1-CG2 4.48Å; V85-T89 HydrophobicContact CG1-CG2 4.04Å; N87-T89 PolarHBondContact O-N 2.91Å; T89-W91 WeakPolarHBondContact CG2-O 3.07Å; T89-W91 PolarHBondContact OG1-N 2.79Å; T89-W91 VanDerWaalsContact OG1-N 3.14Å; T89-W91 PolarHBondContact OG1-O 3.02Å; T89-L138 HydrophobicContact CG2-CB 4.16Å; T89-L138 HydrophobicContact CG2-CD1 4.26Å; T89-L138 PolarHBondContact N-O 2.85Å; T89-L138 VanDerWaalsContact N-O 3.1Å; T89-L138 WeakPolarHBondContact O-CA 3.4Å; T89-L138 VanDerWaalsContact O-CB 3.29Å; T89-L138 WeakPolarHBondContact O-CB 3.44Å; T89-L138 PolarHBondContact O-N 2.82Å
90	N	94.3	Very high	97.5	Very high	60 Å²	60	40.2 Å²	40.2	32%	0.321	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	17.6	170.4	66.1	-31.1	0	0	0	111.6	F133 S134	N90-F133 CarbonylContact O-C 3.51Å; N90-F133 WeakPolarHBondContact O-CA 3.34Å; N90-S134 PolarHBondContact O-N 3.42Å
91	W	95.4	Very high	97.5	Very high	34 Å²	34	39.5 Å²	39.5	13%	0.129	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.7	178.3	54	-99.6	0	0	0	111.5	P47 W48 P54 Y56 T89 V93 I132 F133	P47-W91 HydrophobicContact CB-CB 4.4Å; P47-W91 HydrophobicContact CB-CD2 3.81Å; P47-W91 HydrophobicContact CB-CE3 4.32Å; P47-W91 HydrophobicContact CB-CG 3.82Å; P47-W91 HydrophobicContact CG-CB 4.17Å; P47-W91 HydrophobicContact CG-CD2 3.98Å; P47-W91 HydrophobicContact CG-CE3 4.1Å; P47-W91 HydrophobicContact CG-CG 4Å; W48-W91 HydrophobicContact CD2-CH2 4.38Å; W48-W91 AromaticContact CE3-CH2 3.63Å; W48-W91 HydrophobicContact CE3-CH2 3.63Å; W48-W91 HydrophobicContact CE3-CZ2 4.35Å; W48-W91 HydrophobicContact CE3-CZ3 4.48Å; W48-W91 HydrophobicContact CZ3-CH2 4.13Å; P54-W91 HydrophobicContact CB-CH2 4.37Å; P54-W91 HydrophobicContact CG-CH2 3.71Å; P54-W91 HydrophobicContact CG-CZ3 3.58Å; Y56-W91 AromaticContact CZ-CH2 4Å; Y56-W91 WeakPolarHBondContact OH-CH2 3.38Å; Y56-W91 WeakPolarHBondContact OH-CZ2 3.28Å; T89-W91 WeakPolarHBondContact CG2-O 3.07Å; T89-W91 PolarHBondContact OG1-N 2.79Å; T89-W91 VanDerWaalsContact OG1-N 3.14Å; T89-W91 PolarHBondContact OG1-O 3.02Å; W91-V93 HydrophobicContact CE3-CB 4.3Å; W91-V93 HydrophobicContact CE3-CG2 3.64Å; W91-V93 HydrophobicContact CZ3-CB 4.01Å; W91-V93 HydrophobicContact CZ3-CG2 3.64Å; W91-I132 CarbonylContact C-O 3.53Å; W91-I132 VanDerWaalsContact CA-O 3.23Å; W91-I132 WeakPolarHBondContact CA-O 3.41Å; W91-F133 HydrophobicContact CB-CD1 3.99Å; W91-F133 HydrophobicContact CB-CE1 4.08Å; W91-F133 HydrophobicContact CB-CG 4.37Å; W91-F133 HydrophobicContact CG-CE1 4.47Å
92	V	97.5	Very high	97.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.4	172.8	-175.1	0	0	0	0	108.4	I57 I83 L94 G131 I132 L138 L146 F193	I57-V92 HydrophobicContact CD1-CB 4.36Å; I57-V92 HydrophobicContact CD1-CG1 4.22Å; I57-V92 HydrophobicContact CD1-CG2 4.26Å; I57-V92 HydrophobicContact CG2-CG1 4.37Å; I83-V92 HydrophobicContact CD1-CG2 4.02Å; V92-L94 HydrophobicContact CG1-CD2 4.27Å; V92-G131 WeakPolarHBondContact O-CA 3.16Å; V92-I132 PolarHBondContact N-O 3.04Å; V92-I132 PolarHBondContact O-N 2.64Å; V92-L138 HydrophobicContact CG2-CD1 3.77Å; V92-L146 HydrophobicContact CG1-CD2 4.45Å; V92-F193 HydrophobicContact CG1-CZ 3.89Å
93	V	98.3	Very high	97.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.6	174.3	172.2	0	0	0	0	109.2	F46 P47 W48 L53 W91 Q129 I130	F46-V93 HydrophobicContact CE1-CG1 4.33Å; F46-V93 HydrophobicContact CE1-CG2 4.47Å; F46-V93 HydrophobicContact CZ-CG1 4.06Å; F46-V93 HydrophobicContact CZ-CG2 4.34Å; P47-V93 HydrophobicContact CG-CG2 3.7Å; W48-V93 HydrophobicContact CB-CB 4.39Å; W48-V93 HydrophobicContact CB-CG1 4.18Å; W48-V93 HydrophobicContact CB-CG2 3.86Å; W48-V93 HydrophobicContact CG-CG1 4.38Å; L53-V93 HydrophobicContact CD2-CG1 3.91Å; W91-V93 HydrophobicContact CE3-CB 4.3Å; W91-V93 HydrophobicContact CE3-CG2 3.64Å; W91-V93 HydrophobicContact CZ3-CB 4.01Å; W91-V93 HydrophobicContact CZ3-CG2 3.64Å; V93-Q129 HydrophobicContact CG1-CB 4.21Å; V93-Q129 HydrophobicContact CG1-CG 4.27Å; V93-I130 VanDerWaalsContact CA-O 3.32Å; V93-I130 WeakPolarHBondContact CA-O 3.27Å
94	L	98.7	Very high	97.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	173.4	-179.4	66.6	157	0	0	0	110.2	I81 V92 Q129 I130 I132 L146 M148 P191 F193	I81-L94 HydrophobicContact CD1-CD1 4.09Å; V92-L94 HydrophobicContact CG1-CD2 4.27Å; L94-Q129 CarbonylContact O-C 3.58Å; L94-Q129 VanDerWaalsContact O-CA 3.28Å; L94-Q129 WeakPolarHBondContact O-CA 3.34Å; L94-I130 HydrophobicContact CD1-CD1 4.42Å; L94-I130 HydrophobicContact CD2-CD1 3.99Å; L94-I130 HydrophobicContact CD2-CG1 3.81Å; L94-I130 HydrophobicContact CG-CD1 4.04Å; L94-I130 HydrophobicContact CG-CG1 3.84Å; L94-I130 PolarHBondContact N-O 2.92Å; L94-I130 VanDerWaalsContact N-O 3.14Å; L94-I130 PolarHBondContact O-N 2.95Å; L94-I132 HydrophobicContact CD2-CD1 4.23Å; L94-L146 HydrophobicContact CD1-CD2 4.08Å; L94-L146 HydrophobicContact CD2-CD2 3.91Å; L94-M148 HydrophobicContact CD1-CE 3.87Å; L94-M148 HydrophobicContact CD1-SD 4.46Å; L94-P191 HydrophobicContact CD1-CB 3.84Å; L94-F193 HydrophobicContact CB-CD2 4.42Å; L94-F193 HydrophobicContact CB-CE2 4.38Å; L94-F193 HydrophobicContact CB-CZ 4.42Å
95	H	98.9	Very high	97.1	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.023	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144	-179.8	-62.6	116.2	0	0	0	112.7	L53 E128 R187 P191 C192 D194	L53-H95 VanDerWaalsContact CG-CE1 3.47Å; L53-H95 WeakPolarHBondContact CG-CE1 3.47Å; H95-E128 CarbonylContact C-O 3.54Å; H95-E128 VanDerWaalsContact CA-O 3.27Å; H95-E128 WeakPolarHBondContact CA-O 3.4Å; H95-R187 HydrophobicContact CB-CB 3.64Å; H95-R187 HydrophobicContact CB-CG 4.45Å; H95-R187 VanDerWaalsContact CD2-CZ 3.42Å; H95-R187 PolarHBondContact CD2-NH1 3.18Å; H95-R187 VanDerWaalsContact CD2-NH1 3.25Å; H95-R187 PolarHBondContact CE1-NH2 2.94Å; H95-R187 VanDerWaalsContact CE1-NH2 3.33Å; H95-R187 VanDerWaalsContact CG-CZ 3.46Å; H95-R187 PolarHBondContact ND1-NH2 2.96Å; H95-R187 PolarHBondContact NE2-NH2 3.39Å; H95-P191 VanDerWaalsContact O-CA 3.3Å; H95-P191 WeakPolarHBondContact O-CA 3.25Å; H95-C192 WeakPolarHBondContact CA-O 3.41Å; H95-C192 WeakPolarHBondContact CB-O 3.49Å; H95-C192 PolarHBondContact N-O 2.92Å; H95-C192 PolarHBondContact O-N 2.82Å; H95-D194 HydrophobicContact CB-CB 3.85Å; H95-D194 WeakPolarHBondContact ND1-CB 3.33Å; H95-D194 PolarHBondContact ND1-N 2.76Å; H95-D194 VanDerWaalsContact ND1-N 3.18Å
96	S	98.6	Very high	97.1	Very high	10 Å²	10	43 Å²	43	7%	0.07	24%	0.237	C	C	.	.			trans	-161.9	132	169.8	178.6	0	0	0	0	109.5	E128	S96-E128 PolarHBondContact N-O 2.98Å; S96-E128 CarbonylContact O-C 3.6Å
97	K	97.6	Very high	96.9	Very high	89 Å²	89	39.1 Å²	39.1	39%	0.387	22%	0.219	S	C	.	.			trans	-139.4	124.6	-179.2	-178.3	-176.7	-173.9	166.7	0	110.8	L99 E128 R187 M188	K97-L99 PolarHBondContact O-N 2.63Å; K97-E128 HydrophobicContact CB-CB 4.44Å; K97-E128 HydrophobicContact CD-CG 4.24Å; K97-E128 WeakPolarHBondContact CD-OE1 3.21Å; K97-E128 VanDerWaalsContact CE-OE1 3.3Å; K97-E128 WeakPolarHBondContact CE-OE1 3.4Å; K97-E128 IonicContact NZ-OE1 3.96Å; K97-E128 PolarHBondContact NZ-OE1 2.8Å; K97-R187 HydrophobicContact CB-CG 4.09Å; K97-R187 PolarHBondContact N-O 2.72Å; K97-M188 HydrophobicContact CB-CG 3.97Å; K97-M188 HydrophobicContact CD-CG 3.85Å; K97-M188 HydrophobicContact CD-SD 4.11Å; K97-M188 HydrophobicContact CG-CG 4.15Å; K97-M188 WeakPolarHBondContact O-CA 3.31Å
98	G	95.9	Very high	96.7	Very high	72 Å²	72	36.6 Å²	36.6	74%	0.742	21%	0.206	S	C	*	.	S	Bend	trans	70.5	12	176.4	0	0	0	0	0	115
99	L	98.2	Very high	96.4	Very high	11 Å²	11	36 Å²	36	6%	0.058	20%	0.199	C	C	.	.			trans	-103.4	133.4	177.3	-58.7	179	0	0	0	110.7	F75 K97 F150 A152 M188 P191	F75-L99 HydrophobicContact CE2-CD2 4.39Å; F75-L99 HydrophobicContact CZ-CD2 3.97Å; K97-L99 PolarHBondContact O-N 2.63Å; L99-F150 HydrophobicContact CD1-CD2 4.32Å; L99-F150 HydrophobicContact CD2-CD2 4.27Å; L99-A152 HydrophobicContact CD2-CB 3.65Å; L99-M188 WeakPolarHBondContact CD2-O 3.26Å; L99-P191 HydrophobicContact CD1-CG 4.05Å
100	Q	98.1	Very high	96.2	Very high	134 Å²	134	41.6 Å²	41.6	63%	0.626	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	115.7	170.2	-61.1	-172	16.2	0	0	109	F150 E151	Q100-F150 CarbonylContact O-C 3.58Å; Q100-F150 WeakPolarHBondContact O-CA 3.26Å; Q100-F150 WeakPolarHBondContact O-CB 3.47Å; Q100-E151 HydrophobicContact CB-CG 4.09Å; Q100-E151 PolarHBondContact N-O 2.8Å; Q100-E151 PolarHBondContact O-N 3.35Å
101	I	97.9	Very high	95.9	Very high	29 Å²	29	43.1 Å²	43.1	15%	0.149	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.7	-178.5	-59.4	173	0	0	0	108.4	V121 I130 E149 F150 P191	I101-V121 HydrophobicContact CD1-CG1 4.18Å; I101-V121 HydrophobicContact CG2-CG2 4.11Å; I101-I130 HydrophobicContact CD1-CD1 3.37Å; I101-I130 HydrophobicContact CD1-CG2 4.32Å; I101-E149 WeakPolarHBondContact CA-O 3.19Å; I101-F150 HydrophobicContact CG1-CB 4.42Å; I101-P191 HydrophobicContact CD1-CG 4.08Å; I101-P191 HydrophobicContact CG1-CG 4.45Å
102	S	96	Very high	95.6	Very high	81 Å²	81	46 Å²	46	57%	0.566	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	-25.4	-177.2	59.4	0	0	0	0	112.8	E149	S102-E149 PolarHBondContact N-O 2.82Å; S102-E149 WeakPolarHBondContact OG-CB 3.39Å; S102-E149 PolarHBondContact OG-O 2.85Å
103	K	96.8	Very high	95.2	Very high	67 Å²	67	50.4 Å²	50.4	29%	0.291	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	137.6	-179	-174.3	173.7	172.4	-170.3	0	111.3	V118 Y147 M148 E149	K103-V118 HydrophobicContact CG-CG1 4.2Å; K103-V118 HydrophobicContact CG-CG2 4.08Å; K103-Y147 HydrophobicContact CD-CE1 4.34Å; K103-M148 CarbonylContact O-C 3.57Å; K103-M148 WeakPolarHBondContact O-CA 3.31Å; K103-E149 HydrophobicContact CB-CB 4.07Å; K103-E149 HydrophobicContact CB-CG 4.14Å; K103-E149 HydrophobicContact CD-CG 4.41Å; K103-E149 IonicContact NZ-OE1 2.92Å; K103-E149 PolarHBondContact O-N 2.79Å
104	A	97.3	Very high	94.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	133.7	169.8	0	0	0	0	0	110.6	L119 V121 I132 Y147 M148	A104-L119 PolarHBondContact O-N 2.97Å; A104-V121 HydrophobicContact CB-CG2 3.63Å; A104-I132 HydrophobicContact CB-CD1 4.11Å; A104-I132 HydrophobicContact CB-CG2 4.48Å; A104-Y147 CarbonylContact C-O 3.36Å; A104-Y147 WeakPolarHBondContact CA-O 3.32Å; A104-M148 HydrophobicContact CB-CG 4.05Å
105	T	96.3	Very high	94.1	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.6	175.7	59	0	0	0	0	111	Y147	T105-Y147 PolarHBondContact N-O 2.88Å; T105-Y147 PolarHBondContact O-N 2.93Å
106	I	96.1	Very high	93.3	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.015	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.6	172.2	-58.5	166.9	0	0	0	108.7	L114 L119 I132 L138 Y144 F145 L146	I106-L114 HydrophobicContact CB-CD1 4.12Å; I106-L114 HydrophobicContact CG2-CD1 3.57Å; I106-L114 HydrophobicContact CG2-CG 4.27Å; I106-L114 WeakPolarHBondContact O-CB 3.36Å; I106-L114 WeakPolarHBondContact O-CG 3.38Å; I106-L114 PolarHBondContact O-N 3.05Å; I106-L119 HydrophobicContact CB-CD1 4.22Å; I106-L119 HydrophobicContact CD1-CD1 3.83Å; I106-L119 HydrophobicContact CG1-CD1 3.7Å; I106-I132 HydrophobicContact CD1-CG2 4.41Å; I106-L138 HydrophobicContact CD1-CD1 4.48Å; I106-L138 HydrophobicContact CG2-CD2 4.13Å; I106-Y144 HydrophobicContact CG2-CD1 4.31Å; I106-F145 CarbonylContact C-O 3.39Å; I106-F145 WeakPolarHBondContact CA-O 3.23Å; I106-L146 HydrophobicContact CG1-CD1 4.03Å
107	L	94.1	Very high	92.7	Very high	9 Å²	9	66.9 Å²	66.9	5%	0.047	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	148.5	178.4	-42.9	166.5	0	0	0	110.2	L111 N112 H113 Y144 F145	L107-L111 HydrophobicContact CD1-CD2 4.16Å; L107-N112 CarbonylContact C-O 3.58Å; L107-N112 VanDerWaalsContact CA-O 3.23Å; L107-N112 WeakPolarHBondContact CA-O 3.46Å; L107-H113 HydrophobicContact CD2-CB 4.21Å; L107-H113 VanDerWaalsContact CD2-CE1 3.45Å; L107-H113 WeakPolarHBondContact CD2-CE1 3.47Å; L107-H113 WeakPolarHBondContact CD2-ND1 3.5Å; L107-Y144 WeakPolarHBondContact O-CA 3.29Å; L107-Y144 WeakPolarHBondContact O-CB 3.45Å; L107-F145 HydrophobicContact CB-CB 4.11Å; L107-F145 HydrophobicContact CD1-CB 4.12Å; L107-F145 HydrophobicContact CG-CB 4.43Å; L107-F145 PolarHBondContact N-O 2.85Å; L107-F145 PolarHBondContact O-N 3.37Å
108	D	92.3	Very high	92.4	Very high	39 Å²	39	66.6 Å²	66.6	21%	0.209	37%	0.365	C	S	.	.			trans	-75.8	-177.9	168.8	74	10.4	0	0	0	112.2	N110 L111 N112 L114	D108-N110 PolarHBondContact O-N 3.27Å; D108-N110 VanDerWaalsContact OD1-CA 3.29Å; D108-N110 WeakPolarHBondContact OD1-CA 3.4Å; D108-N110 WeakPolarHBondContact OD1-CB 3.36Å; D108-N110 PolarHBondContact OD1-N 3.03Å; D108-L111 PolarHBondContact O-N 2.82Å; D108-L111 PolarHBondContact OD1-N 2.96Å; D108-L111 VanDerWaalsContact OD1-N 3.14Å; D108-N112 PolarHBondContact N-O 3.29Å; D108-N112 PolarHBondContact OD1-N 3.46Å; D108-L114 HydrophobicContact CB-CD2 3.99Å
109	Q	90.5	Very high	92.3	Very high	100 Å²	100	63.9 Å²	63.9	47%	0.467	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.2	178.7	-65.3	-174.4	-14	0	0	114.1	L111 K143	Q109-L111 VanDerWaalsContact C-N 3.26Å; Q109-K143 HydrophobicContact CG-CB 4.22Å; Q109-K143 WeakPolarHBondContact CG-O 3.35Å
110	N	91.1	Very high	91.9	Very high	125 Å²	125	65.4 Å²	65.4	67%	0.668	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	9.4	176.8	-59.1	-53.5	0	0	0	111.9	D108 N112	D108-N110 PolarHBondContact O-N 3.27Å; D108-N110 VanDerWaalsContact OD1-CA 3.29Å; D108-N110 WeakPolarHBondContact OD1-CA 3.4Å; D108-N110 WeakPolarHBondContact OD1-CB 3.36Å; D108-N110 PolarHBondContact OD1-N 3.03Å; N110-N112 PolarHBondContact O-N 3.43Å
111	L	89.1	Confident	91.8	Very high	92 Å²	92	60.6 Å²	60.6	48%	0.482	32%	0.324	S	S	.	.	S	Bend	trans	61.8	20.8	-175.1	-55.5	174	0	0	0	113.7	L107 D108 Q109 F145	L107-L111 HydrophobicContact CD1-CD2 4.16Å; D108-L111 PolarHBondContact O-N 2.82Å; D108-L111 PolarHBondContact OD1-N 2.96Å; D108-L111 VanDerWaalsContact OD1-N 3.14Å; Q109-L111 VanDerWaalsContact C-N 3.26Å; L111-F145 HydrophobicContact CD2-CD1 4.42Å; L111-F145 HydrophobicContact CD2-CD2 3.56Å; L111-F145 HydrophobicContact CD2-CE2 3.7Å; L111-F145 HydrophobicContact CD2-CG 3.95Å; L111-F145 HydrophobicContact CD2-CZ 4.18Å
112	N	89.3	Confident	91.7	Very high	93 Å²	93	60.9 Å²	60.9	50%	0.497	33%	0.326	S	S	.	.			trans	-81.4	138.1	171.2	-60.8	-49.6	0	0	0	109.7	L107 D108 N110 L114	L107-N112 CarbonylContact C-O 3.58Å; L107-N112 VanDerWaalsContact CA-O 3.23Å; L107-N112 WeakPolarHBondContact CA-O 3.46Å; D108-N112 PolarHBondContact N-O 3.29Å; D108-N112 PolarHBondContact OD1-N 3.46Å; N110-N112 PolarHBondContact O-N 3.43Å; N112-L114 PolarHBondContact O-N 3.17Å
113	H	89	Confident	91.7	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.435	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-63.5	132.1	174.7	-72	-95.7	0	0	0	111.1	L107 S115	L107-H113 HydrophobicContact CD2-CB 4.21Å; L107-H113 VanDerWaalsContact CD2-CE1 3.45Å; L107-H113 WeakPolarHBondContact CD2-CE1 3.47Å; L107-H113 WeakPolarHBondContact CD2-ND1 3.5Å; H113-S115 WeakPolarHBondContact CB-O 3.41Å; H113-S115 PolarHBondContact O-N 2.62Å
114	L	87.9	Confident	91.7	Very high	19 Å²	19	60.2 Å²	60.2	10%	0.099	32%	0.315	C	S	.	.	S	Bend	trans	-71.6	-16.1	172	-64.3	-172.6	0	0	0	112.5	I106 D108 N112 L138 Y144	I106-L114 HydrophobicContact CB-CD1 4.12Å; I106-L114 HydrophobicContact CG2-CD1 3.57Å; I106-L114 HydrophobicContact CG2-CG 4.27Å; I106-L114 WeakPolarHBondContact O-CB 3.36Å; I106-L114 WeakPolarHBondContact O-CG 3.38Å; I106-L114 PolarHBondContact O-N 3.05Å; D108-L114 HydrophobicContact CB-CD2 3.99Å; N112-L114 PolarHBondContact O-N 3.17Å; L114-L138 HydrophobicContact CD1-CD2 3.76Å; L114-Y144 HydrophobicContact CD1-CD1 4.01Å; L114-Y144 HydrophobicContact CD1-CE1 4.04Å
115	S	86.1	Confident	91.6	Very high	30 Å²	30	65.2 Å²	65.2	21%	0.21	35%	0.348	C	S	.	.			trans	-151	140.6	174.2	172.4	0	0	0	0	110.6	H113 Q117	H113-S115 WeakPolarHBondContact CB-O 3.41Å; H113-S115 PolarHBondContact O-N 2.62Å; S115-Q117 PolarHBondContact O-N 2.06Å; S115-Q117 PolarHBondContact OG-N 3.39Å; S115-Q117 VanDerWaalsContact OG-N 3.08Å; S115-Q117 PolarHBondContact OG-O 3.16Å
116	D	80.9	Confident	91.5	Very high	168 Å²	168	69.3 Å²	69.3	90%	0.898	38%	0.377	S	S	*	.	S	Bend	trans	-73.3	-10.3	174.2	-58.9	-43.8	0	0	0	112.6
117	Q	87.1	Confident	91.5	Very high	143 Å²	143	71.1 Å²	71.1	67%	0.668	39%	0.385	S	S	*	.	S	Bend	trans	-100	149.6	179.1	-62.6	-177.7	-6	0	0	111.9	S115 L119	S115-Q117 PolarHBondContact O-N 2.06Å; S115-Q117 PolarHBondContact OG-N 3.39Å; S115-Q117 VanDerWaalsContact OG-N 3.08Å; S115-Q117 PolarHBondContact OG-O 3.16Å; Q117-L119 PolarHBondContact O-N 2.75Å
118	V	90.8	Very high	91.7	Very high	84 Å²	84	72 Å²	72	51%	0.509	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-62.8	132.6	168.3	-177.2	0	0	0	0	108.8	K103	K103-V118 HydrophobicContact CG-CG1 4.2Å; K103-V118 HydrophobicContact CG-CG2 4.08Å
119	L	93.3	Very high	92	Very high	14 Å²	14	70.2 Å²	70.2	7%	0.073	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-81.4	141.5	-178.1	-57.9	178.3	0	0	0	110.6	A104 I106 Q117 I132 P135	A104-L119 PolarHBondContact O-N 2.97Å; I106-L119 HydrophobicContact CB-CD1 4.22Å; I106-L119 HydrophobicContact CD1-CD1 3.83Å; I106-L119 HydrophobicContact CG1-CD1 3.7Å; Q117-L119 PolarHBondContact O-N 2.75Å; L119-I132 HydrophobicContact CB-CG2 4Å; L119-I132 HydrophobicContact CD1-CG2 3.92Å; L119-P135 HydrophobicContact CD2-CG 4.06Å
120	P	90.6	Very high	92.3	Very high	44 Å²	44	65.4 Å²	65.4	29%	0.286	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-65.3	137.8	174.9	27	-33.6	0	0	0	110.7	L44	L44-P120 HydrophobicContact CD1-CG 4.15Å
121	V	94.9	Very high	92.7	Very high	32 Å²	32	59.5 Å²	59.5	19%	0.194	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.6	175.9	-175	0	0	0	0	108.5	I101 A104 I130 I132	I101-V121 HydrophobicContact CD1-CG1 4.18Å; I101-V121 HydrophobicContact CG2-CG2 4.11Å; A104-V121 HydrophobicContact CB-CG2 3.63Å; V121-I130 HydrophobicContact CG1-CB 3.9Å; V121-I130 HydrophobicContact CG1-CD1 4.34Å; V121-I130 HydrophobicContact CG1-CG2 4.04Å; V121-I132 HydrophobicContact CG1-CG1 4.48Å; V121-I132 HydrophobicContact CG2-CG1 4.34Å
122	L	96.5	Very high	93	Very high	36 Å²	36	55.1 Å²	55.1	19%	0.188	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.1	173.1	-57.5	-171.1	0	0	0	109.7	L44 S45 F46 I130 G131 F133	L44-L122 HydrophobicContact CB-CD1 3.92Å; S45-L122 WeakPolarHBondContact O-CD1 3.23Å; F46-L122 HydrophobicContact CD2-CB 3.92Å; L122-I130 CarbonylContact O-C 3.58Å; L122-I130 WeakPolarHBondContact O-CA 3.4Å; L122-G131 PolarHBondContact N-O 3.4Å; L122-G131 PolarHBondContact O-N 3.34Å; L122-F133 HydrophobicContact CD1-CD2 4.3Å; L122-F133 HydrophobicContact CD1-CE2 3.64Å; L122-F133 HydrophobicContact CG-CE2 4.39Å
123	H	95.8	Very high	93.3	Very high	107 Å²	107	52.1 Å²	52.1	50%	0.495	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.2	179.7	-67.3	-101.8	0	0	0	111
124	N	96.7	Very high	93.4	Very high	26 Å²	26	48 Å²	48	14%	0.139	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	84.9	165.7	-179	2.6	0	0	0	109.3	F46 S126 H127 E128 Q129	F46-N124 HydrophobicContact CD1-CB 3.94Å; F46-N124 HydrophobicContact CD2-CB 3.7Å; F46-N124 HydrophobicContact CE1-CB 3.82Å; F46-N124 HydrophobicContact CE2-CB 3.56Å; F46-N124 HydrophobicContact CG-CB 3.9Å; F46-N124 HydrophobicContact CZ-CB 3.65Å; N124-S126 PolarHBondContact O-N 3Å; N124-S126 PolarHBondContact OD1-N 3.11Å; N124-S126 PolarHBondContact OD1-OG 3.48Å; N124-H127 PolarHBondContact ND2-ND1 3.45Å; N124-H127 PolarHBondContact O-N 3.46Å; N124-E128 PolarHBondContact O-N 3.25Å; N124-Q129 PolarHBondContact N-O 3.06Å; N124-Q129 PolarHBondContact O-N 2.73Å; N124-Q129 VanDerWaalsContact O-N 3.09Å
125	P	95.1	Very high	93.4	Very high	105 Å²	105	50.8 Å²	50.8	68%	0.682	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-60.7	-31.1	-176.7	-24.7	35	0	0	0	113.6	H127 E128	P125-H127 PolarHBondContact O-N 2.92Å; P125-E128 PolarHBondContact O-N 3.05Å; P125-E128 VanDerWaalsContact O-N 3.08Å
126	S	93.4	Very high	93.7	Very high	93 Å²	93	57.1 Å²	57.1	65%	0.65	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-64.3	-27.9	-179.8	71	0	0	0	0	113.3	N124	N124-S126 PolarHBondContact O-N 3Å; N124-S126 PolarHBondContact OD1-N 3.11Å; N124-S126 PolarHBondContact OD1-OG 3.48Å
127	H	96.6	Very high	94.3	Very high	41 Å²	41	53.4 Å²	53.4	19%	0.19	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-106	2.2	174.5	-64	-179	0	0	0	112.5	S49 R50 L51 N124 P125 Q129	S49-H127 PolarHBondContact O-CE1 2.83Å; R50-H127 PolarHBondContact O-ND1 3.44Å; L51-H127 HydrophobicContact CD2-CB 3.92Å; L51-H127 VanDerWaalsContact CD2-CD2 3.42Å; L51-H127 WeakPolarHBondContact CD2-CD2 3.31Å; N124-H127 PolarHBondContact ND2-ND1 3.45Å; N124-H127 PolarHBondContact O-N 3.46Å; P125-H127 PolarHBondContact O-N 2.92Å; H127-Q129 HydrophobicContact CB-CB 4.35Å; H127-Q129 HydrophobicContact CB-CG 4Å; H127-Q129 WeakPolarHBondContact O-CG 3.48Å; H127-Q129 PolarHBondContact O-N 3.08Å
128	E	97.9	Very high	94.7	Very high	27 Å²	27	46.6 Å²	46.6	13%	0.126	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	36.9	-174.2	-52.4	177.3	157.5	0	0	112.7	H95 S96 K97 N124 P125 R187	H95-E128 CarbonylContact C-O 3.54Å; H95-E128 VanDerWaalsContact CA-O 3.27Å; H95-E128 WeakPolarHBondContact CA-O 3.4Å; S96-E128 PolarHBondContact N-O 2.98Å; S96-E128 CarbonylContact O-C 3.6Å; K97-E128 HydrophobicContact CB-CB 4.44Å; K97-E128 HydrophobicContact CD-CG 4.24Å; K97-E128 WeakPolarHBondContact CD-OE1 3.21Å; K97-E128 VanDerWaalsContact CE-OE1 3.3Å; K97-E128 WeakPolarHBondContact CE-OE1 3.4Å; K97-E128 IonicContact NZ-OE1 3.96Å; K97-E128 PolarHBondContact NZ-OE1 2.8Å; N124-E128 PolarHBondContact O-N 3.25Å; P125-E128 PolarHBondContact O-N 3.05Å; P125-E128 VanDerWaalsContact O-N 3.08Å; E128-R187 WeakPolarHBondContact OE2-CD 3.17Å; E128-R187 IonicContact OE2-CZ 2.81Å; E128-R187 IonicContact OE2-NE 2.62Å; E128-R187 IonicContact OE2-NH1 2.93Å; E128-R187 PolarHBondContact OE2-NH1 2.7Å
129	Q	98.6	Very high	95	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	156	-175.5	-70.9	167.2	1.5	0	0	112.3	F46 R50 L51 L53 V93 L94 N124 H127	F46-Q129 HydrophobicContact CE1-CB 4.33Å; F46-Q129 HydrophobicContact CE2-CB 4.5Å; F46-Q129 HydrophobicContact CZ-CB 3.64Å; R50-Q129 PolarHBondContact O-NE2 3.32Å; R50-Q129 PolarHBondContact O-OE1 3.28Å; L51-Q129 PolarHBondContact O-NE2 3.48Å; L53-Q129 HydrophobicContact CD2-CG 4.16Å; V93-Q129 HydrophobicContact CG1-CB 4.21Å; V93-Q129 HydrophobicContact CG1-CG 4.27Å; L94-Q129 CarbonylContact O-C 3.58Å; L94-Q129 VanDerWaalsContact O-CA 3.28Å; L94-Q129 WeakPolarHBondContact O-CA 3.34Å; N124-Q129 PolarHBondContact N-O 3.06Å; N124-Q129 PolarHBondContact O-N 2.73Å; N124-Q129 VanDerWaalsContact O-N 3.09Å; H127-Q129 HydrophobicContact CB-CB 4.35Å; H127-Q129 HydrophobicContact CB-CG 4Å; H127-Q129 WeakPolarHBondContact O-CG 3.48Å; H127-Q129 PolarHBondContact O-N 3.08Å
130	I	98.4	Very high	95.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.8	167.4	57.2	171.8	0	0	0	110.3	V93 L94 I101 V121 L122 I132 M148 P191	V93-I130 VanDerWaalsContact CA-O 3.32Å; V93-I130 WeakPolarHBondContact CA-O 3.27Å; L94-I130 HydrophobicContact CD1-CD1 4.42Å; L94-I130 HydrophobicContact CD2-CD1 3.99Å; L94-I130 HydrophobicContact CD2-CG1 3.81Å; L94-I130 HydrophobicContact CG-CD1 4.04Å; L94-I130 HydrophobicContact CG-CG1 3.84Å; L94-I130 PolarHBondContact N-O 2.92Å; L94-I130 VanDerWaalsContact N-O 3.14Å; L94-I130 PolarHBondContact O-N 2.95Å; I101-I130 HydrophobicContact CD1-CD1 3.37Å; I101-I130 HydrophobicContact CD1-CG2 4.32Å; V121-I130 HydrophobicContact CG1-CB 3.9Å; V121-I130 HydrophobicContact CG1-CD1 4.34Å; V121-I130 HydrophobicContact CG1-CG2 4.04Å; L122-I130 CarbonylContact O-C 3.58Å; L122-I130 WeakPolarHBondContact O-CA 3.4Å; I130-I132 HydrophobicContact CD1-CD1 4.49Å; I130-M148 HydrophobicContact CD1-SD 4.15Å; I130-P191 HydrophobicContact CD1-CB 4.05Å
131	G	97.6	Very high	95.3	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.4	177.4	0	0	0	0	0	110.9	V92 L122	V92-G131 WeakPolarHBondContact O-CA 3.16Å; L122-G131 PolarHBondContact N-O 3.4Å; L122-G131 PolarHBondContact O-N 3.34Å
132	I	96.6	Very high	95.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.6	-177.7	-57.6	172.2	0	0	0	108.1	W91 V92 L94 A104 I106 L119 V121 I130 L146 M148	W91-I132 CarbonylContact C-O 3.53Å; W91-I132 VanDerWaalsContact CA-O 3.23Å; W91-I132 WeakPolarHBondContact CA-O 3.41Å; V92-I132 PolarHBondContact N-O 3.04Å; V92-I132 PolarHBondContact O-N 2.64Å; L94-I132 HydrophobicContact CD2-CD1 4.23Å; A104-I132 HydrophobicContact CB-CD1 4.11Å; A104-I132 HydrophobicContact CB-CG2 4.48Å; I106-I132 HydrophobicContact CD1-CG2 4.41Å; L119-I132 HydrophobicContact CB-CG2 4Å; L119-I132 HydrophobicContact CD1-CG2 3.92Å; V121-I132 HydrophobicContact CG1-CG1 4.48Å; V121-I132 HydrophobicContact CG2-CG1 4.34Å; I130-I132 HydrophobicContact CD1-CD1 4.49Å; I132-L146 HydrophobicContact CD1-CD1 3.68Å; I132-L146 HydrophobicContact CD1-CD2 4.04Å; I132-L146 HydrophobicContact CD1-CG 4.41Å; I132-L146 HydrophobicContact CG2-CD1 4.46Å; I132-M148 HydrophobicContact CD1-CG 4.34Å; I132-M148 HydrophobicContact CD1-SD 3.69Å
133	F	94.4	Very high	95.3	Very high	30 Å²	30	52.6 Å²	52.6	13%	0.132	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.5	178.9	-78.2	-93.7	0	0	0	110.9	L44 P47 N90 W91 L122	L44-F133 HydrophobicContact CB-CE2 4.29Å; L44-F133 HydrophobicContact CD1-CB 4.47Å; L44-F133 HydrophobicContact CD1-CD2 3.98Å; L44-F133 HydrophobicContact CD1-CE2 4.46Å; L44-F133 HydrophobicContact CD1-CG 4.21Å; L44-F133 HydrophobicContact CD2-CD1 4.42Å; L44-F133 HydrophobicContact CD2-CE1 4.35Å; L44-F133 HydrophobicContact CD2-CE2 4.47Å; L44-F133 HydrophobicContact CD2-CZ 4.36Å; P47-F133 HydrophobicContact CB-CE1 4.44Å; P47-F133 HydrophobicContact CB-CE2 4.45Å; P47-F133 HydrophobicContact CB-CZ 3.81Å; P47-F133 HydrophobicContact CG-CE2 4.09Å; P47-F133 HydrophobicContact CG-CZ 3.94Å; N90-F133 CarbonylContact O-C 3.51Å; N90-F133 WeakPolarHBondContact O-CA 3.34Å; W91-F133 HydrophobicContact CB-CD1 3.99Å; W91-F133 HydrophobicContact CB-CE1 4.08Å; W91-F133 HydrophobicContact CB-CG 4.37Å; W91-F133 HydrophobicContact CG-CE1 4.47Å; L122-F133 HydrophobicContact CD1-CD2 4.3Å; L122-F133 HydrophobicContact CD1-CE2 3.64Å; L122-F133 HydrophobicContact CG-CE2 4.39Å
134	S	91.9	Very high	95.4	Very high	7 Å²	7	48.5 Å²	48.5	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	133.9	169.5	-179.1	0	0	0	0	109.7	N90 R136 L138	N90-S134 PolarHBondContact O-N 3.42Å; S134-R136 WeakPolarHBondContact CB-O 3.49Å; S134-R136 PolarHBondContact O-N 2.8Å; S134-R136 PolarHBondContact OG-N 3.31Å; S134-R136 PolarHBondContact OG-O 3.26Å; S134-L138 WeakPolarHBondContact OG-CD2 3.38Å
135	P	88.6	Confident	95.5	Very high	79 Å²	79	48.4 Å²	48.4	51%	0.513	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-10.6	175.9	22.6	-22	0	0	0	112.6	L119	L119-P135 HydrophobicContact CD2-CG 4.06Å
136	R	91	Very high	95.6	Very high	163 Å²	163	43.4 Å²	43.4	62%	0.615	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.8	175.7	-59	-177.3	-173.7	-177.7	3.2	110	S134 L138	S134-R136 WeakPolarHBondContact CB-O 3.49Å; S134-R136 PolarHBondContact O-N 2.8Å; S134-R136 PolarHBondContact OG-N 3.31Å; S134-R136 PolarHBondContact OG-O 3.26Å; R136-L138 PolarHBondContact O-N 2.8Å
137	V	94.4	Very high	95.8	Very high	89 Å²	89	41.3 Å²	41.3	54%	0.539	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.1	173.2	179.1	0	0	0	0	109.3	N88 S139	N88-V137 HydrophobicContact CB-CG1 4.03Å; V137-S139 PolarHBondContact O-N 2.96Å
138	L	95.9	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	118.5	166.4	-51.1	-178.4	0	0	0	107.4	V85 N88 T89 V92 I106 L114 S134 R136 Y144	V85-L138 HydrophobicContact CG1-CB 4.13Å; V85-L138 HydrophobicContact CG2-CB 4.16Å; V85-L138 HydrophobicContact CG2-CD1 4.39Å; N88-L138 WeakPolarHBondContact CA-O 3.47Å; T89-L138 HydrophobicContact CG2-CB 4.16Å; T89-L138 HydrophobicContact CG2-CD1 4.26Å; T89-L138 PolarHBondContact N-O 2.85Å; T89-L138 VanDerWaalsContact N-O 3.1Å; T89-L138 WeakPolarHBondContact O-CA 3.4Å; T89-L138 VanDerWaalsContact O-CB 3.29Å; T89-L138 WeakPolarHBondContact O-CB 3.44Å; T89-L138 PolarHBondContact O-N 2.82Å; V92-L138 HydrophobicContact CG2-CD1 3.77Å; I106-L138 HydrophobicContact CD1-CD1 4.48Å; I106-L138 HydrophobicContact CG2-CD2 4.13Å; L114-L138 HydrophobicContact CD1-CD2 3.76Å; S134-L138 WeakPolarHBondContact OG-CD2 3.38Å; R136-L138 PolarHBondContact O-N 2.8Å; L138-Y144 HydrophobicContact CB-CD2 4.28Å; L138-Y144 HydrophobicContact CB-CE2 3.81Å; L138-Y144 HydrophobicContact CD2-CD1 3.9Å; L138-Y144 HydrophobicContact CD2-CD2 4.2Å; L138-Y144 HydrophobicContact CD2-CE1 3.82Å; L138-Y144 HydrophobicContact CD2-CE2 4.12Å; L138-Y144 HydrophobicContact CD2-CG 4.1Å
139	S	96.1	Very high	95.9	Very high	50 Å²	50	40.7 Å²	40.7	35%	0.35	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-87.8	142.9	-169.8	-61.7	0	0	0	0	111.8	V137 Q142 Y144	V137-S139 PolarHBondContact O-N 2.96Å; S139-Q142 WeakPolarHBondContact O-CB 3.36Å; S139-Q142 PolarHBondContact O-N 2.81Å; S139-Q142 VanDerWaalsContact O-N 3.16Å; S139-Y144 PolarHBondContact N-OH 3.44Å
140	S	96.3	Very high	95.9	Very high	67 Å²	67	40.9 Å²	40.9	47%	0.469	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	136.4	173.3	176	0	0	0	0	111.4	V85 Q86 N88 Q142	V85-S140 CarbonylContact O-C 3.45Å; V85-S140 VanDerWaalsContact O-CA 3.27Å; V85-S140 WeakPolarHBondContact O-CA 3.47Å; Q86-S140 WeakPolarHBondContact O-CB 3.28Å; Q86-S140 PolarHBondContact O-OG 2.93Å; N88-S140 WeakPolarHBondContact OD1-CB 3.38Å; N88-S140 PolarHBondContact OD1-N 3.1Å; S140-Q142 PolarHBondContact O-N 3.38Å
141	G	93.6	Very high	95.9	Very high	54 Å²	54	45.3 Å²	45.3	56%	0.557	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	5.5	-177.1	0	0	0	0	0	114.6	V85	V85-G141 PolarHBondContact O-N 2.92Å
142	Q	95.9	Very high	96	Very high	83 Å²	83	46.2 Å²	46.2	39%	0.388	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	149.4	176.6	-62.8	-62.2	-32.8	0	0	111.7	V85 S139 S140 Y144	V85-Q142 PolarHBondContact N-O 2.8Å; S139-Q142 WeakPolarHBondContact O-CB 3.36Å; S139-Q142 PolarHBondContact O-N 2.81Å; S139-Q142 VanDerWaalsContact O-N 3.16Å; S140-Q142 PolarHBondContact O-N 3.38Å; Q142-Y144 HydrophobicContact CB-CD2 4.47Å; Q142-Y144 HydrophobicContact CB-CE2 3.61Å
143	K	97.3	Very high	96	Very high	82 Å²	82	53.9 Å²	53.9	36%	0.357	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.1	175.7	-59.9	-177.9	-179.5	-174.4	0	110.4	L60 I83 Q109	L60-K143 HydrophobicContact CD1-CD 3.88Å; L60-K143 HydrophobicContact CD1-CG 4.47Å; I83-K143 CarbonylContact O-C 3.53Å; I83-K143 WeakPolarHBondContact O-CA 3.4Å; Q109-K143 HydrophobicContact CG-CB 4.22Å; Q109-K143 WeakPolarHBondContact CG-O 3.35Å
144	Y	97.8	Very high	96.2	Very high	22 Å²	22	52.6 Å²	52.6	9%	0.086	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	167.9	177.9	-61.9	-87.8	0	0	0	109.8	Q82 I83 V85 I106 L107 L114 L138 S139 Q142	Q82-Y144 CarbonylContact C-O 3.51Å; Q82-Y144 WeakPolarHBondContact CA-O 3.39Å; I83-Y144 PolarHBondContact N-O 3.04Å; I83-Y144 PolarHBondContact O-N 3.13Å; V85-Y144 HydrophobicContact CB-CD2 4.43Å; V85-Y144 HydrophobicContact CB-CE2 4.38Å; V85-Y144 HydrophobicContact CG2-CD2 3.75Å; V85-Y144 HydrophobicContact CG2-CE2 4.11Å; I106-Y144 HydrophobicContact CG2-CD1 4.31Å; L107-Y144 WeakPolarHBondContact O-CA 3.29Å; L107-Y144 WeakPolarHBondContact O-CB 3.45Å; L114-Y144 HydrophobicContact CD1-CD1 4.01Å; L114-Y144 HydrophobicContact CD1-CE1 4.04Å; L138-Y144 HydrophobicContact CB-CD2 4.28Å; L138-Y144 HydrophobicContact CB-CE2 3.81Å; L138-Y144 HydrophobicContact CD2-CD1 3.9Å; L138-Y144 HydrophobicContact CD2-CD2 4.2Å; L138-Y144 HydrophobicContact CD2-CE1 3.82Å; L138-Y144 HydrophobicContact CD2-CE2 4.12Å; L138-Y144 HydrophobicContact CD2-CG 4.1Å; S139-Y144 PolarHBondContact N-OH 3.44Å; Q142-Y144 HydrophobicContact CB-CD2 4.47Å; Q142-Y144 HydrophobicContact CB-CE2 3.61Å
145	F	97.9	Very high	96.4	Very high	23 Å²	23	53.5 Å²	53.5	10%	0.101	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.6	169.9	-61.9	-96.5	0	0	0	110.5	Q80 I81 Q82 I106 L107 L111	Q80-F145 HydrophobicContact CG-CB 4Å; Q80-F145 HydrophobicContact CG-CD1 3.97Å; Q80-F145 HydrophobicContact CG-CG 4.4Å; I81-F145 CarbonylContact O-C 3.42Å; I81-F145 VanDerWaalsContact O-CA 3.29Å; I81-F145 WeakPolarHBondContact O-CA 3.41Å; Q82-F145 HydrophobicContact CB-CD1 3.81Å; Q82-F145 HydrophobicContact CB-CE1 3.59Å; Q82-F145 HydrophobicContact CB-CZ 4.34Å; Q82-F145 HydrophobicContact CG-CD1 4.16Å; Q82-F145 HydrophobicContact CG-CE1 3.7Å; Q82-F145 HydrophobicContact CG-CZ 3.94Å; I106-F145 CarbonylContact C-O 3.39Å; I106-F145 WeakPolarHBondContact CA-O 3.23Å; L107-F145 HydrophobicContact CB-CB 4.11Å; L107-F145 HydrophobicContact CD1-CB 4.12Å; L107-F145 HydrophobicContact CG-CB 4.43Å; L107-F145 PolarHBondContact N-O 2.85Å; L107-F145 PolarHBondContact O-N 3.37Å; L111-F145 HydrophobicContact CD2-CD1 4.42Å; L111-F145 HydrophobicContact CD2-CD2 3.56Å; L111-F145 HydrophobicContact CD2-CE2 3.7Å; L111-F145 HydrophobicContact CD2-CG 3.95Å; L111-F145 HydrophobicContact CD2-CZ 4.18Å
146	L	97.5	Very high	96.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.3	168.5	179.7	63	0	0	0	108.7	Q80 I81 V92 L94 I106 I132 M148	Q80-L146 CarbonylContact C-O 3.58Å; Q80-L146 VanDerWaalsContact CA-O 3.24Å; Q80-L146 WeakPolarHBondContact CA-O 3.39Å; I81-L146 HydrophobicContact CB-CB 4.36Å; I81-L146 HydrophobicContact CD1-CD2 4.31Å; I81-L146 PolarHBondContact N-O 3.22Å; I81-L146 PolarHBondContact O-N 2.91Å; V92-L146 HydrophobicContact CG1-CD2 4.45Å; L94-L146 HydrophobicContact CD1-CD2 4.08Å; L94-L146 HydrophobicContact CD2-CD2 3.91Å; I106-L146 HydrophobicContact CG1-CD1 4.03Å; I132-L146 HydrophobicContact CD1-CD1 3.68Å; I132-L146 HydrophobicContact CD1-CD2 4.04Å; I132-L146 HydrophobicContact CD1-CG 4.41Å; I132-L146 HydrophobicContact CG2-CD1 4.46Å; L146-M148 HydrophobicContact CD1-CG 4.48Å; L146-M148 HydrophobicContact CD2-CE 3.45Å; L146-M148 VanDerWaalsContact CD2-CE 3.45Å; L146-M148 HydrophobicContact CD2-SD 3.95Å; L146-M148 HydrophobicContact CG-CE 3.74Å; L146-M148 HydrophobicContact CG-CG 4.36Å; L146-M148 HydrophobicContact CG-SD 4.19Å
147	Y	97.6	Very high	96.1	Very high	50 Å²	50	49.9 Å²	49.9	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128	176.9	175.3	-93.5	0	0	0	110.2	V79 Q80 K103 A104 T105 E149	V79-Y147 CarbonylContact O-C 3.59Å; V79-Y147 WeakPolarHBondContact O-CA 3.2Å; Q80-Y147 HydrophobicContact CB-CD2 4.29Å; K103-Y147 HydrophobicContact CD-CE1 4.34Å; A104-Y147 CarbonylContact C-O 3.36Å; A104-Y147 WeakPolarHBondContact CA-O 3.32Å; T105-Y147 PolarHBondContact N-O 2.88Å; T105-Y147 PolarHBondContact O-N 2.93Å; Y147-E149 HydrophobicContact CE1-CG 3.61Å; Y147-E149 VanDerWaalsContact CE1-OE1 3.26Å; Y147-E149 WeakPolarHBondContact CE1-OE1 3.18Å; Y147-E149 WeakPolarHBondContact OH-CG 3.41Å; Y147-E149 PolarHBondContact OH-OE1 3.01Å
148	M	98.2	Very high	96	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.8	177.8	-66.8	165.8	-66.8	0	0	111.8	T78 V79 I81 L94 K103 A104 I130 I132 L146 P191	T78-M148 CarbonylContact C-O 3.56Å; T78-M148 VanDerWaalsContact CA-O 3.28Å; T78-M148 WeakPolarHBondContact CA-O 3.49Å; V79-M148 HydrophobicContact CG1-CB 3.88Å; V79-M148 HydrophobicContact CG1-CE 3.52Å; V79-M148 PolarHBondContact N-O 2.51Å; V79-M148 PolarHBondContact O-N 3Å; I81-M148 HydrophobicContact CD1-CE 3.98Å; L94-M148 HydrophobicContact CD1-CE 3.87Å; L94-M148 HydrophobicContact CD1-SD 4.46Å; K103-M148 CarbonylContact O-C 3.57Å; K103-M148 WeakPolarHBondContact O-CA 3.31Å; A104-M148 HydrophobicContact CB-CG 4.05Å; I130-M148 HydrophobicContact CD1-SD 4.15Å; I132-M148 HydrophobicContact CD1-CG 4.34Å; I132-M148 HydrophobicContact CD1-SD 3.69Å; L146-M148 HydrophobicContact CD1-CG 4.48Å; L146-M148 HydrophobicContact CD2-CE 3.45Å; L146-M148 VanDerWaalsContact CD2-CE 3.45Å; L146-M148 HydrophobicContact CD2-SD 3.95Å; L146-M148 HydrophobicContact CG-CE 3.74Å; L146-M148 HydrophobicContact CG-CG 4.36Å; L146-M148 HydrophobicContact CG-SD 4.19Å; M148-P191 HydrophobicContact CE-CB 3.75Å; M148-P191 HydrophobicContact CE-CG 4.26Å; M148-P191 HydrophobicContact SD-CB 3.97Å; M148-P191 HydrophobicContact SD-CG 4.2Å
149	E	98.6	Very high	96	Very high	55 Å²	55	47.2 Å²	47.2	26%	0.257	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.3	169.7	-56.2	-179.9	-168.4	0	0	108.5	T78 I101 S102 K103 Y147	T78-E149 HydrophobicContact CG2-CG 3.97Å; I101-E149 WeakPolarHBondContact CA-O 3.19Å; S102-E149 PolarHBondContact N-O 2.82Å; S102-E149 WeakPolarHBondContact OG-CB 3.39Å; S102-E149 PolarHBondContact OG-O 2.85Å; K103-E149 HydrophobicContact CB-CB 4.07Å; K103-E149 HydrophobicContact CB-CG 4.14Å; K103-E149 HydrophobicContact CD-CG 4.41Å; K103-E149 IonicContact NZ-OE1 2.92Å; K103-E149 PolarHBondContact O-N 2.79Å; Y147-E149 HydrophobicContact CE1-CG 3.61Å; Y147-E149 VanDerWaalsContact CE1-OE1 3.26Å; Y147-E149 WeakPolarHBondContact CE1-OE1 3.18Å; Y147-E149 WeakPolarHBondContact OH-CG 3.41Å; Y147-E149 PolarHBondContact OH-OE1 3.01Å
150	F	98.6	Very high	96	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.022	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	160.9	-174.7	59.6	-91	0	0	0	113.1	L66 F75 T76 G77 V79 L99 Q100 I101 A189 F190 P191	L66-F150 HydrophobicContact CD2-CE2 4.02Å; L66-F150 HydrophobicContact CD2-CZ 3.96Å; F75-F150 HydrophobicContact CD2-CE2 4.46Å; F75-F150 HydrophobicContact CE2-CD2 4.34Å; F75-F150 AromaticContact CE2-CE2 3.93Å; F75-F150 HydrophobicContact CE2-CE2 3.93Å; T76-F150 CarbonylContact C-O 3.56Å; T76-F150 WeakPolarHBondContact CA-O 3.25Å; G77-F150 PolarHBondContact N-O 2.79Å; G77-F150 PolarHBondContact O-N 2.59Å; V79-F150 HydrophobicContact CB-CE1 4.05Å; V79-F150 HydrophobicContact CG1-CD1 4.31Å; V79-F150 HydrophobicContact CG1-CE1 3.87Å; L99-F150 HydrophobicContact CD1-CD2 4.32Å; L99-F150 HydrophobicContact CD2-CD2 4.27Å; Q100-F150 CarbonylContact O-C 3.58Å; Q100-F150 WeakPolarHBondContact O-CA 3.26Å; Q100-F150 WeakPolarHBondContact O-CB 3.47Å; I101-F150 HydrophobicContact CG1-CB 4.42Å; F150-A189 WeakPolarHBondContact CE2-O 3.35Å; F150-F190 HydrophobicContact CE1-CB 4.14Å; F150-F190 HydrophobicContact CE2-CB 4.33Å; F150-F190 HydrophobicContact CZ-CB 3.64Å; F150-P191 HydrophobicContact CD1-CG 4.3Å
151	E	98.6	Very high	96.1	Very high	93 Å²	93	41.8 Å²	41.8	44%	0.435	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.9	173	66.9	-174.8	169.2	0	0	112	F75 T76 Q100	F75-E151 WeakPolarHBondContact O-CA 3.48Å; T76-E151 HydrophobicContact CG2-CB 4.05Å; Q100-E151 HydrophobicContact CB-CG 4.09Å; Q100-E151 PolarHBondContact N-O 2.8Å; Q100-E151 PolarHBondContact O-N 3.35Å
152	A	98.3	Very high	96.3	Very high	18 Å²	18	39.2 Å²	39.2	15%	0.149	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	166.7	173.2	0	0	0	0	0	111.6	S74 F75 L99	S74-A152 WeakPolarHBondContact CA-O 3.21Å; F75-A152 HydrophobicContact CD1-CB 4.44Å; F75-A152 WeakPolarHBondContact CD1-O 3.09Å; F75-A152 HydrophobicContact CE1-CB 3.67Å; F75-A152 HydrophobicContact CZ-CB 3.74Å; F75-A152 PolarHBondContact N-O 3.46Å; F75-A152 PolarHBondContact O-N 3.49Å; L99-A152 HydrophobicContact CD2-CB 3.65Å
153	E	98.3	Very high	96.4	Very high	161 Å²	161	37.3 Å²	37.3	75%	0.752	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	149.7	165.6	-64.8	-176.8	171.1	0	0	110	A155	E153-A155 PolarHBondContact O-N 3.35Å
154	L	98.1	Very high	96.4	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-65.2	129.6	168.4	-70	173.5	0	0	0	108.3	L70 L73 F75 F161 K163 A177	L70-L154 HydrophobicContact CD2-CD1 3.97Å; L73-L154 PolarHBondContact O-N 3.14Å; F75-L154 HydrophobicContact CD1-CD2 3.89Å; F75-L154 HydrophobicContact CD1-CG 4.4Å; F75-L154 HydrophobicContact CE1-CD2 4.44Å; L154-F161 HydrophobicContact CD2-CB 4.48Å; L154-F161 HydrophobicContact CD2-CD1 3.59Å; L154-F161 HydrophobicContact CD2-CD2 4.06Å; L154-F161 HydrophobicContact CD2-CE1 3.77Å; L154-F161 HydrophobicContact CD2-CE2 4.21Å; L154-F161 HydrophobicContact CD2-CG 3.75Å; L154-F161 HydrophobicContact CD2-CZ 4.07Å; L154-K163 HydrophobicContact CB-CB 4.18Å; L154-K163 HydrophobicContact CD1-CB 4.3Å; L154-A177 HydrophobicContact CD1-CB 3.85Å; L154-A177 HydrophobicContact CD2-CB 3.96Å
155	A	95	Very high	96.3	Very high	26 Å²	26	34.3 Å²	34.3	22%	0.215	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-60.9	141.7	-178.2	0	0	0	0	0	111.8	E153 G157 F161 Y162 K163	E153-A155 PolarHBondContact O-N 3.35Å; A155-G157 VanDerWaalsContact C-N 3.33Å; A155-F161 PolarHBondContact N-O 2.87Å; A155-Y162 WeakPolarHBondContact O-CA 3.37Å; A155-Y162 WeakPolarHBondContact O-CB 3.37Å; A155-K163 PolarHBondContact O-N 2.86Å
156	E	88.3	Confident	96.2	Very high	138 Å²	138	34 Å²	34	65%	0.645	17%	0.173	S	C	*	.	S	Bend	trans	-77.5	-20.4	172	-65.5	-66.8	143.1	0	0	112.6	K163	E156-K163 WeakPolarHBondContact OE1-CE 3.17Å; E156-K163 IonicContact OE1-NZ 3.44Å; E156-K163 PolarHBondContact OE1-NZ 3.4Å; E156-K163 WeakPolarHBondContact OE2-CE 3.29Å; E156-K163 IonicContact OE2-NZ 3.97Å; E156-K163 PolarHBondContact OE2-NZ 3.08Å
157	G	85.7	Confident	95.9	Very high	29 Å²	29	41.5 Å²	41.5	30%	0.299	20%	0.202	S	C	.	.	S	Bend	trans	-82	-162.4	177.2	0	0	0	0	0	113.1	A155 Y162	A155-G157 VanDerWaalsContact C-N 3.33Å; G157-Y162 WeakPolarHBondContact O-CB 3.3Å; G157-Y162 WeakPolarHBondContact O-CD2 3.45Å
158	F	92.5	Very high	95.7	Very high	16 Å²	16	40.1 Å²	40.1	7%	0.07	20%	0.198	C	C	.	.	S	Bend	trans	-105.5	8.7	-174.9	-52.5	-77.5	0	0	0	114.4	H180 D312 Q314 Q835 F869	F158-H180 WeakPolarHBondContact O-CB 3.25Å; F158-D312 HydrophobicContact CE1-CB 4.29Å; F158-Q314 HydrophobicContact CB-CB 3.49Å; F158-Q314 VanDerWaalsContact CB-CB 3.49Å; F158-Q314 HydrophobicContact CD1-CB 4.28Å; F158-Q314 HydrophobicContact CD2-CB 3.84Å; F158-Q314 HydrophobicContact CD2-CG 4.34Å; F158-Q314 HydrophobicContact CG-CB 3.62Å; F158-Q835 HydrophobicContact CE1-CB 4.01Å; F158-Q835 HydrophobicContact CZ-CB 4.12Å; F158-F869 HydrophobicContact CE2-CD1 4.39Å; F158-F869 AromaticContact CE2-CE1 3.96Å; F158-F869 HydrophobicContact CE2-CE1 3.96Å
159	Y	94.9	Very high	95.3	Very high	16 Å²	16	44.5 Å²	44.5	6%	0.063	23%	0.229	C	C	.	.	S	Bend	trans	-129.2	159	-173.7	-64.9	-93.3	0	0	0	111.7	H180 Q314 P870	Y159-H180 AromaticContact CD1-CD2 3.3Å; Y159-H180 WeakPolarHBondContact CD1-CD2 3.15Å; Y159-H180 AromaticContact CD1-NE2 3.86Å; Y159-H180 AromaticContact CE1-CD2 3.38Å; Y159-H180 WeakPolarHBondContact CE1-CD2 3.42Å; Y159-H180 AromaticContact CE1-NE2 3.45Å; Y159-H180 WeakPolarHBondContact CE1-NE2 3.32Å; Y159-Q314 PolarHBondContact OH-NE2 3.18Å; Y159-P870 HydrophobicContact CD2-CG 3.75Å; Y159-P870 HydrophobicContact CE2-CG 3.39Å
160	G	97.6	Very high	94.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.8	-144.9	-175.8	0	0	0	0	0	110.6	T179 H180 F181	G160-T179 VanDerWaalsContact O-CA 3.32Å; G160-T179 WeakPolarHBondContact O-CA 3.33Å; G160-H180 PolarHBondContact N-O 3.17Å; G160-H180 PolarHBondContact O-N 3.32Å; G160-H180 VanDerWaalsContact O-N 3.12Å; G160-F181 WeakPolarHBondContact O-CE1 3.41Å
161	F	98.6	Very high	94.3	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.013	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	106.8	169.9	-170.5	-154.2	0	0	0	108.6	P68 F75 L154 A155 A177 S178 T179 A189 F248	P68-F161 HydrophobicContact CB-CE1 3.81Å; P68-F161 HydrophobicContact CB-CZ 3.77Å; P68-F161 HydrophobicContact CG-CE1 4.25Å; P68-F161 HydrophobicContact CG-CZ 3.94Å; F75-F161 HydrophobicContact CB-CD1 4.3Å; F75-F161 HydrophobicContact CB-CE1 4.03Å; F75-F161 AromaticContact CD1-CD1 3.68Å; F75-F161 HydrophobicContact CD1-CD1 3.68Å; F75-F161 HydrophobicContact CD1-CE1 4.24Å; F75-F161 AromaticContact CD2-CD1 3.9Å; F75-F161 HydrophobicContact CD2-CD1 3.9Å; F75-F161 HydrophobicContact CD2-CE1 4.26Å; F75-F161 HydrophobicContact CE1-CB 4.29Å; F75-F161 AromaticContact CE1-CD1 3.86Å; F75-F161 HydrophobicContact CE1-CD1 3.86Å; F75-F161 HydrophobicContact CE2-CD1 4.06Å; F75-F161 AromaticContact CG-CD1 3.7Å; F75-F161 HydrophobicContact CG-CD1 3.7Å; F75-F161 AromaticContact CG-CE1 3.94Å; F75-F161 HydrophobicContact CG-CE1 3.94Å; F75-F161 HydrophobicContact CZ-CB 4.31Å; F75-F161 HydrophobicContact CZ-CD1 4.04Å; L154-F161 HydrophobicContact CD2-CB 4.48Å; L154-F161 HydrophobicContact CD2-CD1 3.59Å; L154-F161 HydrophobicContact CD2-CD2 4.06Å; L154-F161 HydrophobicContact CD2-CE1 3.77Å; L154-F161 HydrophobicContact CD2-CE2 4.21Å; L154-F161 HydrophobicContact CD2-CG 3.75Å; L154-F161 HydrophobicContact CD2-CZ 4.07Å; A155-F161 PolarHBondContact N-O 2.87Å; F161-A177 HydrophobicContact CD2-CB 4.28Å; F161-A177 HydrophobicContact CE2-CB 3.48Å; F161-A177 VanDerWaalsContact CE2-CB 3.48Å; F161-A177 HydrophobicContact CZ-CB 3.76Å; F161-S178 WeakPolarHBondContact CD2-O 3.49Å; F161-T179 HydrophobicContact CB-CG2 4.3Å; F161-T179 HydrophobicContact CD2-CG2 3.64Å; F161-T179 HydrophobicContact CE2-CG2 4.32Å; F161-T179 HydrophobicContact CG-CG2 4.27Å; F161-A189 HydrophobicContact CB-CB 3.81Å; F161-F248 HydrophobicContact CB-CE2 4.38Å; F161-F248 AromaticContact CD1-CE2 3.91Å; F161-F248 HydrophobicContact CD1-CE2 3.91Å; F161-F248 HydrophobicContact CD2-CD2 4.07Å; F161-F248 AromaticContact CD2-CE2 3.62Å; F161-F248 HydrophobicContact CD2-CE2 3.62Å; F161-F248 HydrophobicContact CE1-CD2 4.46Å; F161-F248 AromaticContact CE1-CE2 3.98Å; F161-F248 HydrophobicContact CE1-CE2 3.98Å; F161-F248 AromaticContact CE2-CD2 3.73Å; F161-F248 HydrophobicContact CE2-CD2 3.73Å; F161-F248 AromaticContact CE2-CE2 3.7Å; F161-F248 HydrophobicContact CE2-CE2 3.7Å; F161-F248 AromaticContact CG-CE2 3.74Å; F161-F248 HydrophobicContact CG-CE2 3.74Å; F161-F248 AromaticContact CZ-CD2 3.95Å; F161-F248 HydrophobicContact CZ-CD2 3.95Å; F161-F248 AromaticContact CZ-CE2 3.89Å; F161-F248 HydrophobicContact CZ-CE2 3.89Å
162	Y	98.1	Very high	94.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.7	-162.2	74.8	-85.6	0	0	0	111.6	A155 G157 A177 S178 H180 D312 F313	A155-Y162 WeakPolarHBondContact O-CA 3.37Å; A155-Y162 WeakPolarHBondContact O-CB 3.37Å; G157-Y162 WeakPolarHBondContact O-CB 3.3Å; G157-Y162 WeakPolarHBondContact O-CD2 3.45Å; Y162-A177 WeakPolarHBondContact O-CA 3.37Å; Y162-S178 WeakPolarHBondContact CD1-O 3.24Å; Y162-S178 WeakPolarHBondContact CE1-O 3.44Å; Y162-S178 PolarHBondContact N-O 2.66Å; Y162-S178 PolarHBondContact O-N 2.99Å; Y162-H180 HydrophobicContact CE1-CB 4.07Å; Y162-D312 WeakPolarHBondContact CE2-O 3.25Å; Y162-D312 PolarHBondContact OH-O 2.82Å; Y162-F313 WeakPolarHBondContact OH-CD2 3.16Å
163	K	97.1	Very high	93.9	Very high	43 Å²	43	53.5 Å²	53.5	19%	0.187	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	145.1	176.9	77.1	-177.9	-166.5	-170.5	0	110.7	L73 L154 A155 E156 L176	L73-K163 HydrophobicContact CD1-CD 3.84Å; L73-K163 HydrophobicContact CD2-CD 4.25Å; L154-K163 HydrophobicContact CB-CB 4.18Å; L154-K163 HydrophobicContact CD1-CB 4.3Å; A155-K163 PolarHBondContact O-N 2.86Å; E156-K163 WeakPolarHBondContact OE1-CE 3.17Å; E156-K163 IonicContact OE1-NZ 3.44Å; E156-K163 PolarHBondContact OE1-NZ 3.4Å; E156-K163 WeakPolarHBondContact OE2-CE 3.29Å; E156-K163 IonicContact OE2-NZ 3.97Å; E156-K163 PolarHBondContact OE2-NZ 3.08Å; K163-L176 WeakPolarHBondContact CA-O 3.38Å
164	S	97.5	Very high	93.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.1	167.6	171.1	0	0	0	0	109.7	L176 D312	S164-L176 PolarHBondContact N-O 2.89Å; S164-L176 WeakPolarHBondContact O-CD2 3.36Å; S164-L176 PolarHBondContact O-N 3.02Å; S164-D312 WeakPolarHBondContact CA-OD2 3.4Å; S164-D312 WeakPolarHBondContact CB-OD2 3.27Å; S164-D312 WeakPolarHBondContact OG-CB 3.15Å; S164-D312 PolarHBondContact OG-N 3.3Å; S164-D312 VanDerWaalsContact OG-N 3.14Å; S164-D312 PolarHBondContact OG-OD2 3.47Å
165	T	96.3	Very high	93.7	Very high	40 Å²	40	52.9 Å²	52.9	25%	0.245	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.1	-177	64.6	0	0	0	0	112.7	T173 R174 F175 P311 D312 R833	T165-T173 HydrophobicContact CG2-CG2 4.35Å; T165-R174 VanDerWaalsContact CA-O 3.24Å; T165-R174 WeakPolarHBondContact CA-O 3.48Å; T165-F175 HydrophobicContact CG2-CD1 3.56Å; T165-F175 HydrophobicContact CG2-CE1 3.63Å; T165-F175 HydrophobicContact CG2-CG 4.36Å; T165-F175 HydrophobicContact CG2-CZ 4.48Å; T165-P311 WeakPolarHBondContact O-CB 3.44Å; T165-D312 PolarHBondContact N-OD2 2.8Å; T165-R833 PolarHBondContact O-NH1 2.81Å; T165-R833 PolarHBondContact O-NH2 2.94Å
166	Y	95.1	Very high	93.9	Very high	17 Å²	17	51.6 Å²	51.6	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.9	165.8	71.8	-86.2	0	0	0	110.8	T168 R174 L176 D252 F253 A271 P272 P311	Y166-T168 HydrophobicContact CE2-CG2 4.23Å; Y166-R174 HydrophobicContact CD1-CB 3.88Å; Y166-R174 HydrophobicContact CD2-CB 4.34Å; Y166-R174 HydrophobicContact CE1-CB 3.41Å; Y166-R174 VanDerWaalsContact CE1-CB 3.41Å; Y166-R174 HydrophobicContact CE1-CG 4.17Å; Y166-R174 HydrophobicContact CE2-CB 3.91Å; Y166-R174 HydrophobicContact CE2-CG 3.9Å; Y166-R174 HydrophobicContact CG-CB 4.33Å; Y166-R174 VanDerWaalsContact CZ-CB 3.43Å; Y166-R174 PolarHBondContact N-O 3.45Å; Y166-R174 VanDerWaalsContact N-O 3.08Å; Y166-R174 PolarHBondContact O-N 2.94Å; Y166-L176 HydrophobicContact CD1-CD2 3.97Å; Y166-L176 HydrophobicContact CE1-CD2 4.45Å; Y166-D252 PolarHBondContact OH-OD1 3.3Å; Y166-D252 PolarHBondContact OH-OD2 3.3Å; Y166-F253 HydrophobicContact CD1-CE1 4.05Å; Y166-F253 HydrophobicContact CE1-CD1 4.36Å; Y166-F253 AromaticContact CE1-CE1 3.69Å; Y166-F253 HydrophobicContact CE1-CE1 3.69Å; Y166-A271 HydrophobicContact CD1-CB 4.42Å; Y166-A271 HydrophobicContact CD2-CB 3.96Å; Y166-A271 HydrophobicContact CE1-CB 4.36Å; Y166-A271 HydrophobicContact CE2-CB 3.92Å; Y166-A271 HydrophobicContact CG-CB 4.21Å; Y166-P272 WeakPolarHBondContact OH-CD 3.26Å; Y166-P311 HydrophobicContact CD1-CG 4.34Å; Y166-P311 HydrophobicContact CG-CG 4.48Å
167	R	91.9	Very high	94.4	Very high	158 Å²	158	45 Å²	45	60%	0.596	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.1	-179.4	-160.8	176	-176.1	-148.2	-4.3	109.8	G171 E172	R167-G171 PolarHBondContact NE-O 3.07Å; R167-E172 CarbonylContact C-O 3.1Å; R167-E172 VanDerWaalsContact CA-O 3.29Å; R167-E172 WeakPolarHBondContact CA-O 3.35Å
168	T	92.8	Very high	95	Very high	20 Å²	20	43.7 Å²	43.7	12%	0.123	22%	0.217	C	C	.	.			trans	-77.7	164.3	173.3	69	0	0	0	0	110.7	Y166 E170 G171 E172 R174	Y166-T168 HydrophobicContact CE2-CG2 4.23Å; T168-E170 PolarHBondContact O-N 3.08Å; T168-E170 PolarHBondContact OG1-N 3.34Å; T168-G171 WeakPolarHBondContact O-CA 3.41Å; T168-G171 PolarHBondContact O-N 2.96Å; T168-E172 HydrophobicContact CG2-CB 4.29Å; T168-E172 PolarHBondContact N-O 3.47Å; T168-E172 WeakPolarHBondContact OG1-CB 3.16Å; T168-E172 PolarHBondContact OG1-N 3.21Å; T168-R174 HydrophobicContact CG2-CG 4.1Å
169	S	89.2	Confident	95.3	Very high	92 Å²	92	42.9 Å²	42.9	64%	0.643	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.6	173.3	60.3	0	0	0	0	113.5	G171 E273	S169-G171 PolarHBondContact O-N 3.38Å; S169-E273 WeakPolarHBondContact CB-OE1 3.44Å; S169-E273 VanDerWaalsContact N-CD 3.32Å; S169-E273 PolarHBondContact N-OE1 3.35Å; S169-E273 PolarHBondContact N-OE2 2.88Å; S169-E273 PolarHBondContact OG-OE1 2.63Å
170	E	90.3	Very high	95.5	Very high	178 Å²	178	42.4 Å²	42.4	83%	0.832	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.8	174	-61.6	-177.8	178.9	0	0	113.1	T168	T168-E170 PolarHBondContact O-N 3.08Å; T168-E170 PolarHBondContact OG1-N 3.34Å
171	G	87.2	Confident	95.5	Very high	24 Å²	24	42.4 Å²	42.4	25%	0.247	21%	0.212	C	C	.	.	S	Bend	trans	92.3	4.1	177	0	0	0	0	0	115.1	R167 T168 S169	R167-G171 PolarHBondContact NE-O 3.07Å; T168-G171 WeakPolarHBondContact O-CA 3.41Å; T168-G171 PolarHBondContact O-N 2.96Å; S169-G171 PolarHBondContact O-N 3.38Å
172	E	93.4	Very high	95.5	Very high	87 Å²	87	42.9 Å²	42.9	41%	0.407	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-70.4	135.4	175.6	-170.2	-168.4	178.6	0	0	110.8	R167 T168 R174	R167-E172 CarbonylContact C-O 3.1Å; R167-E172 VanDerWaalsContact CA-O 3.29Å; R167-E172 WeakPolarHBondContact CA-O 3.35Å; T168-E172 HydrophobicContact CG2-CB 4.29Å; T168-E172 PolarHBondContact N-O 3.47Å; T168-E172 WeakPolarHBondContact OG1-CB 3.16Å; T168-E172 PolarHBondContact OG1-N 3.21Å; E172-R174 IonicContact OE1-CZ 2.82Å; E172-R174 IonicContact OE1-NE 3.46Å; E172-R174 PolarHBondContact OE1-NE 2.71Å; E172-R174 IonicContact OE1-NH2 2.69Å; E172-R174 PolarHBondContact OE1-NH2 3.31Å; E172-R174 IonicContact OE2-CZ 2.69Å; E172-R174 IonicContact OE2-NE 3.42Å; E172-R174 PolarHBondContact OE2-NE 3.23Å; E172-R174 IonicContact OE2-NH2 3.18Å; E172-R174 PolarHBondContact OE2-NH2 3.5Å
173	T	94.1	Very high	95.5	Very high	72 Å²	72	43 Å²	43	44%	0.442	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	122	171.9	-59.3	0	0	0	0	110	T165 F175	T165-T173 HydrophobicContact CG2-CG2 4.35Å; T173-F175 HydrophobicContact CG2-CE2 4.18Å; T173-F175 HydrophobicContact CG2-CZ 4.21Å
174	R	96.3	Very high	95.5	Very high	82 Å²	82	41.5 Å²	41.5	31%	0.309	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.3	175.4	-66.5	-71.5	-179.6	124.6	-10	110.2	T165 Y166 T168 E172 D252	T165-R174 VanDerWaalsContact CA-O 3.24Å; T165-R174 WeakPolarHBondContact CA-O 3.48Å; Y166-R174 HydrophobicContact CD1-CB 3.88Å; Y166-R174 HydrophobicContact CD2-CB 4.34Å; Y166-R174 HydrophobicContact CE1-CB 3.41Å; Y166-R174 VanDerWaalsContact CE1-CB 3.41Å; Y166-R174 HydrophobicContact CE1-CG 4.17Å; Y166-R174 HydrophobicContact CE2-CB 3.91Å; Y166-R174 HydrophobicContact CE2-CG 3.9Å; Y166-R174 HydrophobicContact CG-CB 4.33Å; Y166-R174 VanDerWaalsContact CZ-CB 3.43Å; Y166-R174 PolarHBondContact N-O 3.45Å; Y166-R174 VanDerWaalsContact N-O 3.08Å; Y166-R174 PolarHBondContact O-N 2.94Å; T168-R174 HydrophobicContact CG2-CG 4.1Å; E172-R174 IonicContact OE1-CZ 2.82Å; E172-R174 IonicContact OE1-NE 3.46Å; E172-R174 PolarHBondContact OE1-NE 2.71Å; E172-R174 IonicContact OE1-NH2 2.69Å; E172-R174 PolarHBondContact OE1-NH2 3.31Å; E172-R174 IonicContact OE2-CZ 2.69Å; E172-R174 IonicContact OE2-NE 3.42Å; E172-R174 PolarHBondContact OE2-NE 3.23Å; E172-R174 IonicContact OE2-NH2 3.18Å; E172-R174 PolarHBondContact OE2-NH2 3.5Å; R174-D252 IonicContact CZ-OD2 3.71Å; R174-D252 IonicContact NE-OD2 2.71Å; R174-D252 IonicContact NH1-OD2 3.18Å; R174-D252 PolarHBondContact NH1-OD2 3.01Å
175	F	97	Very high	95.6	Very high	68 Å²	68	42 Å²	42	30%	0.298	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.3	178.5	-65.8	-92.1	0	0	0	110.5	L70 L73 T165 T173	L70-F175 HydrophobicContact CB-CB 4.4Å; L73-F175 HydrophobicContact CD2-CD1 3.95Å; L73-F175 HydrophobicContact CD2-CE1 4.38Å; T165-F175 HydrophobicContact CG2-CD1 3.56Å; T165-F175 HydrophobicContact CG2-CE1 3.63Å; T165-F175 HydrophobicContact CG2-CG 4.36Å; T165-F175 HydrophobicContact CG2-CZ 4.48Å; T173-F175 HydrophobicContact CG2-CE2 4.18Å; T173-F175 HydrophobicContact CG2-CZ 4.21Å
176	L	98.3	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	159.4	166.3	61.5	142.9	0	0	0	109.6	K163 S164 Y166 V250 C251 F253 I310 P311	K163-L176 WeakPolarHBondContact CA-O 3.38Å; S164-L176 PolarHBondContact N-O 2.89Å; S164-L176 WeakPolarHBondContact O-CD2 3.36Å; S164-L176 PolarHBondContact O-N 3.02Å; Y166-L176 HydrophobicContact CD1-CD2 3.97Å; Y166-L176 HydrophobicContact CE1-CD2 4.45Å; L176-V250 VanDerWaalsContact CA-O 3.28Å; L176-V250 WeakPolarHBondContact CA-O 3.44Å; L176-V250 WeakPolarHBondContact CB-O 3.34Å; L176-C251 HydrophobicContact CB-CB 3.67Å; L176-C251 HydrophobicContact CD1-CB 4.46Å; L176-F253 HydrophobicContact CD1-CZ 4.13Å; L176-F253 HydrophobicContact CD2-CE1 4.35Å; L176-F253 HydrophobicContact CD2-CZ 4.32Å; L176-I310 HydrophobicContact CD1-CD1 4.39Å; L176-I310 HydrophobicContact CD1-CG2 4.46Å; L176-P311 HydrophobicContact CD2-CG 4.19Å
177	A	98.6	Very high	95.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.1	166.4	0	0	0	0	0	109.6	L70 L154 F161 Y162 I249 V250	L70-A177 HydrophobicContact CD2-CB 3.58Å; L154-A177 HydrophobicContact CD1-CB 3.85Å; L154-A177 HydrophobicContact CD2-CB 3.96Å; F161-A177 HydrophobicContact CD2-CB 4.28Å; F161-A177 HydrophobicContact CE2-CB 3.48Å; F161-A177 VanDerWaalsContact CE2-CB 3.48Å; F161-A177 HydrophobicContact CZ-CB 3.76Å; Y162-A177 WeakPolarHBondContact O-CA 3.37Å; A177-I249 CarbonylContact O-C 3.25Å; A177-I249 VanDerWaalsContact O-CA 3.29Å; A177-I249 WeakPolarHBondContact O-CA 3.37Å; A177-I249 WeakPolarHBondContact O-CG2 3.13Å; A177-V250 PolarHBondContact N-O 2.79Å; A177-V250 PolarHBondContact O-N 2.89Å
178	S	98.5	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	166.7	-177.7	-168.7	0	0	0	0	110.8	F161 Y162	F161-S178 WeakPolarHBondContact CD2-O 3.49Å; Y162-S178 WeakPolarHBondContact CD1-O 3.24Å; Y162-S178 WeakPolarHBondContact CE1-O 3.44Å; Y162-S178 PolarHBondContact N-O 2.66Å; Y162-S178 PolarHBondContact O-N 2.99Å
179	T	98.7	Very high	96.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.7	-179.1	40.1	0	0	0	0	111.3	G160 F161 F181 A247 F248	G160-T179 VanDerWaalsContact O-CA 3.32Å; G160-T179 WeakPolarHBondContact O-CA 3.33Å; F161-T179 HydrophobicContact CB-CG2 4.3Å; F161-T179 HydrophobicContact CD2-CG2 3.64Å; F161-T179 HydrophobicContact CE2-CG2 4.32Å; F161-T179 HydrophobicContact CG-CG2 4.27Å; T179-F181 HydrophobicContact CG2-CE1 3.67Å; T179-F181 HydrophobicContact CG2-CE2 4.19Å; T179-F181 HydrophobicContact CG2-CZ 3.37Å; T179-A247 WeakPolarHBondContact OG1-CA 3.33Å; T179-F248 HydrophobicContact CG2-CD1 4.41Å; T179-F248 HydrophobicContact CG2-CD2 3.54Å; T179-F248 HydrophobicContact CG2-CE1 4.18Å; T179-F248 HydrophobicContact CG2-CE2 3.25Å; T179-F248 HydrophobicContact CG2-CG 4.12Å; T179-F248 HydrophobicContact CG2-CZ 3.6Å; T179-F248 WeakPolarHBondContact CG2-O 3.46Å; T179-F248 PolarHBondContact OG1-N 3.36Å; T179-F248 PolarHBondContact OG1-O 3.39Å
180	H	98.3	Very high	96.9	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.028	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	111.6	166.8	-179.1	62.7	0	0	0	108.2	F158 Y159 G160 Y162 F313	F158-H180 WeakPolarHBondContact O-CB 3.25Å; Y159-H180 AromaticContact CD1-CD2 3.3Å; Y159-H180 WeakPolarHBondContact CD1-CD2 3.15Å; Y159-H180 AromaticContact CD1-NE2 3.86Å; Y159-H180 AromaticContact CE1-CD2 3.38Å; Y159-H180 WeakPolarHBondContact CE1-CD2 3.42Å; Y159-H180 AromaticContact CE1-NE2 3.45Å; Y159-H180 WeakPolarHBondContact CE1-NE2 3.32Å; G160-H180 PolarHBondContact N-O 3.17Å; G160-H180 PolarHBondContact O-N 3.32Å; G160-H180 VanDerWaalsContact O-N 3.12Å; Y162-H180 HydrophobicContact CE1-CB 4.07Å; H180-F313 HydrophobicContact CB-CE2 4.3Å; H180-F313 AromaticContact ND1-CZ 3.91Å
181	F	98.7	Very high	97.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.			trans	-113.4	-19.4	-167	-65.9	-20.9	0	0	0	114.4	G160 T179 P183 T184 S185 A186 A189 F190 V246 F248	G160-F181 WeakPolarHBondContact O-CE1 3.41Å; T179-F181 HydrophobicContact CG2-CE1 3.67Å; T179-F181 HydrophobicContact CG2-CE2 4.19Å; T179-F181 HydrophobicContact CG2-CZ 3.37Å; F181-P183 CarbonylContact O-C 3.51Å; F181-P183 VanDerWaalsContact O-C 3.25Å; F181-T184 PolarHBondContact O-N 3.41Å; F181-S185 PolarHBondContact O-N 3.09Å; F181-A186 HydrophobicContact CB-CB 3.96Å; F181-A186 HydrophobicContact CD1-CB 4.4Å; F181-A186 HydrophobicContact CD2-CB 3.72Å; F181-A186 HydrophobicContact CE2-CB 4.32Å; F181-A186 HydrophobicContact CG-CB 3.79Å; F181-A189 HydrophobicContact CE1-CB 3.51Å; F181-A189 HydrophobicContact CZ-CB 3.47Å; F181-A189 VanDerWaalsContact CZ-CB 3.47Å; F181-F190 AromaticContact CE2-CE1 3.84Å; F181-F190 HydrophobicContact CE2-CE1 3.84Å; F181-F190 HydrophobicContact CZ-CE1 4.18Å; F181-V246 HydrophobicContact CD2-CB 4.09Å; F181-V246 WeakPolarHBondContact CD2-O 3.32Å; F181-V246 HydrophobicContact CE2-CB 3.92Å; F181-V246 HydrophobicContact CE2-CG1 4.06Å; F181-V246 WeakPolarHBondContact CE2-O 3.13Å; F181-F248 HydrophobicContact CE2-CE1 4.2Å; F181-F248 HydrophobicContact CE2-CZ 4.4Å; F181-F248 HydrophobicContact CZ-CE1 4.04Å; F181-F248 AromaticContact CZ-CZ 3.78Å; F181-F248 HydrophobicContact CZ-CZ 3.78Å
182	E	98.3	Very high	97.9	Very high	13 Å²	13	19.7 Å²	19.7	6%	0.061	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	135.4	175.9	-161.7	177.6	-147.9	0	0	110.7	Y244 M318 W368 F432	E182-Y244 HydrophobicContact CB-CD2 3.84Å; E182-Y244 HydrophobicContact CG-CD2 3.78Å; E182-Y244 HydrophobicContact CG-CE2 4.23Å; E182-Y244 HydrophobicContact CG-CG 4.43Å; E182-M318 HydrophobicContact CB-CE 3.76Å; E182-M318 HydrophobicContact CB-SD 3.48Å; E182-M318 WeakPolarHBondContact CB-SD 3.33Å; E182-M318 HydrophobicContact CG-CE 4.47Å; E182-M318 HydrophobicContact CG-SD 4.46Å; E182-W368 HydrophobicContact CG-CH2 3.8Å; E182-W368 HydrophobicContact CG-CZ3 3.98Å; E182-W368 WeakPolarHBondContact OE1-CZ3 3.46Å; E182-F432 VanDerWaalsContact CD-CE1 3.49Å; E182-F432 HydrophobicContact CG-CE1 4.14Å; E182-F432 HydrophobicContact CG-CZ 3.74Å
183	P	97.4	Very high	98.1	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.019	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87	-33.1	-4.3	31.2	-32.4	0	0	0	114.6	F181 W368 I428 E429 F432	F181-P183 CarbonylContact O-C 3.51Å; F181-P183 VanDerWaalsContact O-C 3.25Å; P183-W368 HydrophobicContact CB-CD2 4.2Å; P183-W368 HydrophobicContact CB-CE3 4.13Å; P183-W368 HydrophobicContact CB-CH2 3.74Å; P183-W368 HydrophobicContact CB-CZ2 3.73Å; P183-W368 HydrophobicContact CB-CZ3 3.9Å; P183-W368 WeakPolarHBondContact O-CZ2 3.47Å; P183-I428 HydrophobicContact CB-CG2 3.44Å; P183-I428 VanDerWaalsContact CB-CG2 3.44Å; P183-I428 HydrophobicContact CG-CB 4.49Å; P183-I428 HydrophobicContact CG-CG2 3.67Å; P183-E429 WeakPolarHBondContact CD-OE1 3.35Å; P183-E429 HydrophobicContact CG-CG 4.15Å; P183-F432 HydrophobicContact CB-CE2 3.96Å; P183-F432 HydrophobicContact CB-CZ 4.18Å; P183-F432 HydrophobicContact CG-CE2 4.11Å
184	T	98.1	Very high	98.4	Very high	11 Å²	11	12.2 Å²	12.2	7%	0.067	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.4	35.3	-166.6	64.7	0	0	0	0	113.4	F181 R187 D194 I428	F181-T184 PolarHBondContact O-N 3.41Å; T184-R187 WeakPolarHBondContact O-CD 3.27Å; T184-R187 VanDerWaalsContact O-CG 3.28Å; T184-R187 WeakPolarHBondContact O-CG 3.46Å; T184-R187 PolarHBondContact O-NE 2.69Å; T184-D194 VanDerWaalsContact C-OD2 3.24Å; T184-I428 HydrophobicContact CG2-CD1 4.04Å
185	S	98.3	Very high	98.5	Very high	10 Å²	10	8.4 Å²	8.4	7%	0.07	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-0.7	-173	-72.6	0	0	0	0	114.4	F181 R187 M188	F181-S185 PolarHBondContact O-N 3.09Å; S185-R187 PolarHBondContact O-N 2.87Å; S185-M188 WeakPolarHBondContact O-CB 3.11Å; S185-M188 PolarHBondContact O-N 2.84Å
186	A	98.9	Very high	98.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-61	-35.7	171.3	0	0	0	0	0	111.3	F181 M188 A189 F190 D194	F181-A186 HydrophobicContact CB-CB 3.96Å; F181-A186 HydrophobicContact CD1-CB 4.4Å; F181-A186 HydrophobicContact CD2-CB 3.72Å; F181-A186 HydrophobicContact CE2-CB 4.32Å; F181-A186 HydrophobicContact CG-CB 3.79Å; A186-M188 PolarHBondContact O-N 2.61Å; A186-A189 PolarHBondContact O-N 3.46Å; A186-F190 HydrophobicContact CB-CE1 4.39Å; A186-F190 HydrophobicContact CB-CZ 4.19Å; A186-F190 PolarHBondContact O-N 3.02Å; A186-F190 VanDerWaalsContact O-N 3.11Å; A186-D194 WeakPolarHBondContact CB-OD1 3.29Å
187	R	98.7	Very high	98.5	Very high	12 Å²	12	6.6 Å²	6.6	5%	0.045	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-57.9	-14.3	172.7	69.2	-172.2	66.8	-172.4	-5	115.1	H95 K97 E128 T184 S185 D194	H95-R187 HydrophobicContact CB-CB 3.64Å; H95-R187 HydrophobicContact CB-CG 4.45Å; H95-R187 VanDerWaalsContact CD2-CZ 3.42Å; H95-R187 PolarHBondContact CD2-NH1 3.18Å; H95-R187 VanDerWaalsContact CD2-NH1 3.25Å; H95-R187 PolarHBondContact CE1-NH2 2.94Å; H95-R187 VanDerWaalsContact CE1-NH2 3.33Å; H95-R187 VanDerWaalsContact CG-CZ 3.46Å; H95-R187 PolarHBondContact ND1-NH2 2.96Å; H95-R187 PolarHBondContact NE2-NH2 3.39Å; K97-R187 HydrophobicContact CB-CG 4.09Å; K97-R187 PolarHBondContact N-O 2.72Å; E128-R187 WeakPolarHBondContact OE2-CD 3.17Å; E128-R187 IonicContact OE2-CZ 2.81Å; E128-R187 IonicContact OE2-NE 2.62Å; E128-R187 IonicContact OE2-NH1 2.93Å; E128-R187 PolarHBondContact OE2-NH1 2.7Å; T184-R187 WeakPolarHBondContact O-CD 3.27Å; T184-R187 VanDerWaalsContact O-CG 3.28Å; T184-R187 WeakPolarHBondContact O-CG 3.46Å; T184-R187 PolarHBondContact O-NE 2.69Å; S185-R187 PolarHBondContact O-N 2.87Å; R187-D194 HydrophobicContact CB-CB 4.19Å; R187-D194 IonicContact CZ-OD2 3.37Å; R187-D194 PolarHBondContact N-OD2 3.37Å; R187-D194 IonicContact NE-OD2 3.84Å; R187-D194 PolarHBondContact NE-OD2 2.75Å; R187-D194 PolarHBondContact NH2-O 3.39Å; R187-D194 IonicContact NH2-OD2 3.42Å
188	M	98.6	Very high	98.5	Very high	49 Å²	49	7.1 Å²	7.1	24%	0.241	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-89.3	-9.8	175.4	-61.2	172.8	60.6	0	0	113.2	K97 L99 S185 A186	K97-M188 HydrophobicContact CB-CG 3.97Å; K97-M188 HydrophobicContact CD-CG 3.85Å; K97-M188 HydrophobicContact CD-SD 4.11Å; K97-M188 HydrophobicContact CG-CG 4.15Å; K97-M188 WeakPolarHBondContact O-CA 3.31Å; L99-M188 WeakPolarHBondContact CD2-O 3.26Å; S185-M188 WeakPolarHBondContact O-CB 3.11Å; S185-M188 PolarHBondContact O-N 2.84Å; A186-M188 PolarHBondContact O-N 2.61Å
189	A	98.8	Very high	98.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-32.5	179.8	0	0	0	0	0	112.5	F75 F150 F161 F181 A186 F248	F75-A189 WeakPolarHBondContact CE2-O 3.46Å; F150-A189 WeakPolarHBondContact CE2-O 3.35Å; F161-A189 HydrophobicContact CB-CB 3.81Å; F181-A189 HydrophobicContact CE1-CB 3.51Å; F181-A189 HydrophobicContact CZ-CB 3.47Å; F181-A189 VanDerWaalsContact CZ-CB 3.47Å; A186-A189 PolarHBondContact O-N 3.46Å; A189-F248 HydrophobicContact CB-CZ 4.14Å
190	F	98.9	Very high	98.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-155.6	146.7	173	55.9	-83.6	0	0	0	110.5	Y62 L64 F150 F181 A186 C192 F202 V246 F248	Y62-F190 HydrophobicContact CD1-CE2 4.38Å; Y62-F190 HydrophobicContact CE1-CE2 4.45Å; L64-F190 HydrophobicContact CD1-CD1 4.16Å; L64-F190 HydrophobicContact CD1-CD2 4.19Å; L64-F190 HydrophobicContact CD1-CE1 4.06Å; L64-F190 HydrophobicContact CD1-CE2 4.06Å; L64-F190 HydrophobicContact CD1-CG 4.25Å; L64-F190 HydrophobicContact CD1-CZ 4.01Å; L64-F190 HydrophobicContact CD2-CB 3.94Å; L64-F190 HydrophobicContact CD2-CD1 4.4Å; L64-F190 HydrophobicContact CD2-CD2 3.75Å; L64-F190 HydrophobicContact CD2-CE2 4.37Å; L64-F190 HydrophobicContact CD2-CG 3.77Å; F150-F190 HydrophobicContact CE1-CB 4.14Å; F150-F190 HydrophobicContact CE2-CB 4.33Å; F150-F190 HydrophobicContact CZ-CB 3.64Å; F181-F190 AromaticContact CE2-CE1 3.84Å; F181-F190 HydrophobicContact CE2-CE1 3.84Å; F181-F190 HydrophobicContact CZ-CE1 4.18Å; A186-F190 HydrophobicContact CB-CE1 4.39Å; A186-F190 HydrophobicContact CB-CZ 4.19Å; A186-F190 PolarHBondContact O-N 3.02Å; A186-F190 VanDerWaalsContact O-N 3.11Å; F190-C192 HydrophobicContact CD2-CB 3.71Å; F190-C192 HydrophobicContact CE2-CB 3.51Å; F190-C192 PolarHBondContact O-N 2.69Å; F190-C192 PolarHBondContact O-SG 3.14Å; F190-C192 VanDerWaalsContact O-SG 3.37Å; F190-F202 HydrophobicContact CE2-CE1 4.26Å; F190-F202 HydrophobicContact CZ-CE1 4.32Å; F190-V246 HydrophobicContact CE1-CB 4.49Å; F190-V246 HydrophobicContact CE1-CG1 4.13Å; F190-V246 HydrophobicContact CZ-CB 4.31Å; F190-V246 HydrophobicContact CZ-CG1 4.25Å; F190-V246 HydrophobicContact CZ-CG2 4.22Å; F190-F248 HydrophobicContact CE1-CE1 4.42Å
191	P	98.8	Very high	98.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.			trans	-63.4	127.4	175	-19	31.6	0	0	0	111	L94 H95 L99 I101 I130 M148 F150	L94-P191 HydrophobicContact CD1-CB 3.84Å; H95-P191 VanDerWaalsContact O-CA 3.3Å; H95-P191 WeakPolarHBondContact O-CA 3.25Å; L99-P191 HydrophobicContact CD1-CG 4.05Å; I101-P191 HydrophobicContact CD1-CG 4.08Å; I101-P191 HydrophobicContact CG1-CG 4.45Å; I130-P191 HydrophobicContact CD1-CB 4.05Å; M148-P191 HydrophobicContact CE-CB 3.75Å; M148-P191 HydrophobicContact CE-CG 4.26Å; M148-P191 HydrophobicContact SD-CB 3.97Å; M148-P191 HydrophobicContact SD-CG 4.2Å; F150-P191 HydrophobicContact CD1-CG 4.3Å
192	C	98.9	Very high	98.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-156.2	169.8	-175.5	56	0	0	0	0	114.3	Y62 H95 F190 D194 T243	Y62-C192 HydrophobicContact CE1-CB 3.75Å; H95-C192 WeakPolarHBondContact CA-O 3.41Å; H95-C192 WeakPolarHBondContact CB-O 3.49Å; H95-C192 PolarHBondContact N-O 2.92Å; H95-C192 PolarHBondContact O-N 2.82Å; F190-C192 HydrophobicContact CD2-CB 3.71Å; F190-C192 HydrophobicContact CE2-CB 3.51Å; F190-C192 PolarHBondContact O-N 2.69Å; F190-C192 PolarHBondContact O-SG 3.14Å; F190-C192 VanDerWaalsContact O-SG 3.37Å; C192-D194 PolarHBondContact O-N 2.63Å; C192-T243 HydrophobicContact CB-CG2 4.07Å
193	F	98.9	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.			trans	-83.4	72.1	173.4	-68.4	-99.9	0	0	0	108.3	L53 I57 P59 Y62 I81 I83 V92 L94 E195 F198	L53-F193 HydrophobicContact CD1-CB 4.02Å; L53-F193 HydrophobicContact CD1-CD1 3.82Å; L53-F193 HydrophobicContact CD1-CG 4.28Å; I57-F193 HydrophobicContact CB-CE1 4.2Å; I57-F193 HydrophobicContact CB-CZ 4.41Å; I57-F193 HydrophobicContact CG2-CE1 4.03Å; I57-F193 HydrophobicContact CG2-CZ 3.74Å; P59-F193 HydrophobicContact CB-CD2 3.87Å; P59-F193 HydrophobicContact CB-CE2 4.33Å; P59-F193 HydrophobicContact CB-CG 4.43Å; P59-F193 HydrophobicContact CG-CB 3.96Å; P59-F193 HydrophobicContact CG-CD2 3.96Å; P59-F193 HydrophobicContact CG-CG 4.01Å; Y62-F193 WeakPolarHBondContact OH-CD2 3.07Å; Y62-F193 PolarHBondContact OH-N 3.28Å; Y62-F193 VanDerWaalsContact OH-N 3.15Å; I81-F193 HydrophobicContact CG2-CE2 4.44Å; I83-F193 HydrophobicContact CG2-CE2 3.91Å; I83-F193 HydrophobicContact CG2-CZ 4.17Å; V92-F193 HydrophobicContact CG1-CZ 3.89Å; L94-F193 HydrophobicContact CB-CD2 4.42Å; L94-F193 HydrophobicContact CB-CE2 4.38Å; L94-F193 HydrophobicContact CB-CZ 4.42Å; F193-E195 PolarHBondContact O-N 2.91Å; F193-F198 HydrophobicContact CB-CB 3.92Å; F193-F198 HydrophobicContact CB-CD2 3.97Å; F193-F198 HydrophobicContact CB-CG 3.93Å
194	D	98.8	Very high	98.7	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.011	6%	0.055	C	C	.	.			trans	-77.6	62	-166.2	-161.2	24.1	0	0	0	114.2	H95 T184 A186 R187 C192 T243	H95-D194 HydrophobicContact CB-CB 3.85Å; H95-D194 WeakPolarHBondContact ND1-CB 3.33Å; H95-D194 PolarHBondContact ND1-N 2.76Å; H95-D194 VanDerWaalsContact ND1-N 3.18Å; T184-D194 VanDerWaalsContact C-OD2 3.24Å; A186-D194 WeakPolarHBondContact CB-OD1 3.29Å; R187-D194 HydrophobicContact CB-CB 4.19Å; R187-D194 IonicContact CZ-OD2 3.37Å; R187-D194 PolarHBondContact N-OD2 3.37Å; R187-D194 IonicContact NE-OD2 3.84Å; R187-D194 PolarHBondContact NE-OD2 2.75Å; R187-D194 PolarHBondContact NH2-O 3.39Å; R187-D194 IonicContact NH2-OD2 3.42Å; C192-D194 PolarHBondContact O-N 2.63Å; D194-T243 WeakPolarHBondContact OD1-CB 3.18Å; D194-T243 PolarHBondContact OD1-OG1 3.42Å
195	E	98.8	Very high	98.7	Very high	3 Å²	3	14.4 Å²	14.4	1%	0.014	7%	0.071	C	C	.	.	S	Bend	trans	-133.2	144.2	168.4	-50.2	-174.4	-178.8	0	0	109.5	R52 L53 F193 S197 F198 W367	R52-E195 VanDerWaalsContact CA-OE1 3.29Å; R52-E195 WeakPolarHBondContact CA-OE1 3.17Å; R52-E195 IonicContact CZ-OE2 3.82Å; R52-E195 VanDerWaalsContact NE-CD 3.31Å; R52-E195 IonicContact NE-OE1 3.43Å; R52-E195 PolarHBondContact NE-OE1 3.37Å; R52-E195 IonicContact NE-OE2 3.71Å; R52-E195 PolarHBondContact NE-OE2 3.07Å; R52-E195 IonicContact NH2-OE2 3.74Å; R52-E195 PolarHBondContact NH2-OE2 3.23Å; L53-E195 PolarHBondContact N-OE1 2.85Å; F193-E195 PolarHBondContact O-N 2.91Å; E195-S197 PolarHBondContact O-N 3.44Å; E195-S197 VanDerWaalsContact O-N 3.09Å; E195-F198 HydrophobicContact CB-CD2 3.82Å; E195-F198 HydrophobicContact CB-CE2 4.21Å; E195-F198 HydrophobicContact CG-CD2 4.22Å; E195-F198 HydrophobicContact CG-CE2 4.23Å; E195-F198 PolarHBondContact O-N 2.86Å; E195-W367 HydrophobicContact CB-CE3 4.44Å; E195-W367 HydrophobicContact CB-CZ3 3.89Å; E195-W367 HydrophobicContact CG-CZ3 3.9Å
196	P	98.6	Very high	98.8	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.5	-169.8	22.8	-34.2	0	0	0	115	S242 Y244 T364 M365 W367 W368 N471	P196-S242 PolarHBondContact O-OG 3.49Å; P196-Y244 HydrophobicContact CB-CD1 4.44Å; P196-Y244 HydrophobicContact CB-CE1 4.34Å; P196-T364 HydrophobicContact CB-CG2 3.95Å; P196-M365 HydrophobicContact CB-CE 4.37Å; P196-M365 HydrophobicContact CG-CE 4.38Å; P196-W367 HydrophobicContact CG-CE3 4.26Å; P196-W368 HydrophobicContact CB-CZ2 4.49Å; P196-W368 HydrophobicContact CG-CZ2 4.14Å; P196-N471 PolarHBondContact O-ND2 3.09Å
197	S	97.9	Very high	98.7	Very high	28 Å²	28	17.6 Å²	17.6	20%	0.196	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.3	177.5	30.1	0	0	0	0	114.4	E195 K199 D366	E195-S197 PolarHBondContact O-N 3.44Å; E195-S197 VanDerWaalsContact O-N 3.09Å; S197-K199 PolarHBondContact O-N 2.78Å; S197-D366 WeakPolarHBondContact CB-O 3.29Å; S197-D366 PolarHBondContact OG-O 3.47Å; S197-D366 VanDerWaalsContact OG-O 3.08Å
198	F	98.7	Very high	98.7	Very high	11 Å²	11	18.3 Å²	18.3	5%	0.048	8%	0.084	C	C	.	.			trans	-86.6	61.6	175	-68.2	-65.7	0	0	0	111.4	L53 R55 P59 F193 E195	L53-F198 HydrophobicContact CB-CE2 3.98Å; L53-F198 HydrophobicContact CB-CZ 4.32Å; L53-F198 HydrophobicContact CD1-CE2 4.21Å; R55-F198 HydrophobicContact CG-CZ 4.49Å; P59-F198 HydrophobicContact CG-CB 3.82Å; P59-F198 HydrophobicContact CG-CD1 4.33Å; P59-F198 HydrophobicContact CG-CG 4.41Å; F193-F198 HydrophobicContact CB-CB 3.92Å; F193-F198 HydrophobicContact CB-CD2 3.97Å; F193-F198 HydrophobicContact CB-CG 3.93Å; E195-F198 HydrophobicContact CB-CD2 3.82Å; E195-F198 HydrophobicContact CB-CE2 4.21Å; E195-F198 HydrophobicContact CG-CD2 4.22Å; E195-F198 HydrophobicContact CG-CE2 4.23Å; E195-F198 PolarHBondContact O-N 2.86Å
199	K	98.8	Very high	98.5	Very high	9 Å²	9	17.8 Å²	17.8	4%	0.039	9%	0.085	C	C	.	.			trans	-65.3	140	175.5	-69.2	-165.7	171.5	-171.3	0	111.5	S197 M240 M241 S242 N361 L362 T364 Y469 G470	S197-K199 PolarHBondContact O-N 2.78Å; K199-M240 HydrophobicContact CB-CE 4.16Å; K199-M241 VanDerWaalsContact CA-O 3.3Å; K199-M241 WeakPolarHBondContact CA-O 3.42Å; K199-S242 WeakPolarHBondContact CE-OG 3.42Å; K199-N361 PolarHBondContact NZ-O 3.33Å; K199-L362 PolarHBondContact NZ-O 2.88Å; K199-T364 WeakPolarHBondContact CE-OG1 3.44Å; K199-T364 PolarHBondContact NZ-OG1 3.11Å; K199-Y469 WeakPolarHBondContact CD-O 3.5Å; K199-G470 WeakPolarHBondContact CE-O 3.48Å; K199-G470 PolarHBondContact NZ-O 3.27Å
200	A	98.9	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-150.6	168.3	178.6	0	0	0	0	0	111.3	P59 Y62 F202 M240 M241	P59-A200 HydrophobicContact CB-CB 4.39Å; Y62-A200 HydrophobicContact CD2-CB 3.63Å; Y62-A200 HydrophobicContact CE2-CB 3.54Å; A200-F202 HydrophobicContact CB-CE2 4.33Å; A200-F202 HydrophobicContact CB-CZ 4.47Å; A200-F202 WeakPolarHBondContact O-CD2 3.42Å; A200-F202 VanDerWaalsContact O-CE2 3.28Å; A200-F202 WeakPolarHBondContact O-CE2 3.33Å; A200-M240 WeakPolarHBondContact O-CA 3.27Å; A200-M241 PolarHBondContact N-O 3.06Å; A200-M241 PolarHBondContact O-N 3.19Å
201	N	98.9	Very high	98.1	Very high	48 Å²	48	30 Å²	30	26%	0.257	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	148.8	167.5	-61.9	96.8	0	0	0	110.9	L60 H61 Y62 S238	L60-N201 PolarHBondContact O-N 2.86Å; H61-N201 CarbonylContact C-O 3.47Å; H61-N201 WeakPolarHBondContact CA-O 3.37Å; Y62-N201 PolarHBondContact N-O 3.33Å; N201-S238 PolarHBondContact ND2-O 2.59Å
202	F	98.9	Very high	98	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.2	178.6	-63.7	-96	0	0	0	110.8	Y62 L64 F190 A200 P237 S238 M241 T243 V246	Y62-F202 VanDerWaalsContact CB-CD1 3.5Å; Y62-F202 HydrophobicContact CD1-CE1 4.14Å; Y62-F202 AromaticContact CD2-CD1 3.89Å; Y62-F202 HydrophobicContact CD2-CD1 3.89Å; Y62-F202 AromaticContact CD2-CE1 3.35Å; Y62-F202 HydrophobicContact CD2-CE1 3.35Å; Y62-F202 HydrophobicContact CD2-CE2 4.4Å; Y62-F202 AromaticContact CD2-CZ 3.66Å; Y62-F202 HydrophobicContact CD2-CZ 3.66Å; Y62-F202 AromaticContact CE2-CE1 3.91Å; Y62-F202 HydrophobicContact CE2-CE1 3.91Å; Y62-F202 AromaticContact CE2-CZ 3.91Å; Y62-F202 HydrophobicContact CE2-CZ 3.91Å; Y62-F202 AromaticContact CG-CD1 3.79Å; Y62-F202 HydrophobicContact CG-CD1 3.79Å; Y62-F202 AromaticContact CG-CE1 3.5Å; Y62-F202 HydrophobicContact CG-CE1 3.5Å; Y62-F202 HydrophobicContact CG-CZ 4.28Å; Y62-F202 CarbonylContact O-C 3.45Å; Y62-F202 WeakPolarHBondContact O-CA 3.41Å; L64-F202 HydrophobicContact CD1-CD1 4.05Å; F190-F202 HydrophobicContact CE2-CE1 4.26Å; F190-F202 HydrophobicContact CZ-CE1 4.32Å; A200-F202 HydrophobicContact CB-CE2 4.33Å; A200-F202 HydrophobicContact CB-CZ 4.47Å; A200-F202 WeakPolarHBondContact O-CD2 3.42Å; A200-F202 VanDerWaalsContact O-CE2 3.28Å; A200-F202 WeakPolarHBondContact O-CE2 3.33Å; F202-P237 CarbonylContact O-C 3.58Å; F202-P237 WeakPolarHBondContact O-CA 3.48Å; F202-S238 PolarHBondContact N-OG 2.88Å; F202-S238 PolarHBondContact O-N 2.89Å; F202-M241 HydrophobicContact CB-CE 4.32Å; F202-M241 HydrophobicContact CD2-CE 3.65Å; F202-M241 HydrophobicContact CD2-CG 3.92Å; F202-M241 HydrophobicContact CE2-CE 4.28Å; F202-M241 HydrophobicContact CE2-CG 3.94Å; F202-M241 WeakPolarHBondContact CE2-O 3.28Å; F202-M241 HydrophobicContact CG-CE 4.15Å; F202-T243 HydrophobicContact CZ-CG2 4.07Å; F202-V246 HydrophobicContact CD1-CG2 3.56Å; F202-V246 HydrophobicContact CD2-CG2 3.97Å; F202-V246 HydrophobicContact CE1-CG2 3.48Å; F202-V246 VanDerWaalsContact CE1-CG2 3.48Å; F202-V246 HydrophobicContact CE2-CG2 3.89Å; F202-V246 HydrophobicContact CG-CG2 3.83Å; F202-V246 HydrophobicContact CZ-CG2 3.65Å
203	S	98.8	Very high	98	Very high	17 Å²	17	35.1 Å²	35.1	12%	0.119	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	104	168.9	-64	0	0	0	0	109.2	H61 Y62 L64	H61-S203 PolarHBondContact CE1-OG 3.29Å; H61-S203 PolarHBondContact NE2-OG 2.95Å; Y62-S203 PolarHBondContact O-N 3.26Å; L64-S203 PolarHBondContact N-O 2.91Å
204	V	98.9	Very high	98	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.03	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.1	-175.8	-179.2	0	0	0	0	110.4	L64 I206 F235 F248	L64-V204 HydrophobicContact CD1-CG2 4.45Å; L64-V204 CarbonylContact O-C 3.58Å; V204-I206 HydrophobicContact CG1-CD1 3.76Å; V204-I206 HydrophobicContact CG1-CG1 3.97Å; V204-F235 HydrophobicContact CB-CB 4.47Å; V204-F235 HydrophobicContact CB-CD2 4.24Å; V204-F235 HydrophobicContact CG1-CD2 4.15Å; V204-F235 WeakPolarHBondContact O-CB 3.3Å; V204-F235 WeakPolarHBondContact O-CD2 3.45Å; V204-F235 PolarHBondContact O-N 3.21Å; V204-F248 HydrophobicContact CG1-CD1 4.49Å
205	R	98.9	Very high	98	Very high	106 Å²	106	35.9 Å²	35.9	40%	0.4	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.7	168.2	-55.3	-176.5	-163.5	174.3	8.6	109.3	L64 L65 L66 E232 D233 Q234	L64-R205 PolarHBondContact O-N 2.9Å; L65-R205 WeakPolarHBondContact CA-O 3.18Å; L65-R205 HydrophobicContact CD1-CB 3.78Å; L66-R205 PolarHBondContact N-O 3.16Å; R205-E232 HydrophobicContact CB-CG 4.36Å; R205-D233 CarbonylContact C-O 3.58Å; R205-D233 VanDerWaalsContact CA-O 3.24Å; R205-D233 WeakPolarHBondContact CA-O 3.45Å; R205-Q234 HydrophobicContact CG-CB 4.49Å; R205-Q234 HydrophobicContact CG-CG 4.14Å
206	I	98.9	Very high	98	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.6	-179.7	-55.6	-62.1	0	0	0	109.3	L66 V204 E232 D233 F235 F248 V250	L66-I206 HydrophobicContact CB-CD1 3.81Å; L66-I206 HydrophobicContact CD1-CD1 3.95Å; L66-I206 HydrophobicContact CG-CD1 4.4Å; L66-I206 WeakPolarHBondContact O-CA 3.44Å; V204-I206 HydrophobicContact CG1-CD1 3.76Å; V204-I206 HydrophobicContact CG1-CG1 3.97Å; I206-E232 WeakPolarHBondContact O-CA 3.48Å; I206-D233 PolarHBondContact N-O 2.82Å; I206-D233 PolarHBondContact O-N 3.45Å; I206-F235 HydrophobicContact CB-CE2 4.29Å; I206-F235 HydrophobicContact CG1-CE2 3.79Å; I206-F248 HydrophobicContact CD1-CB 3.95Å; I206-F248 HydrophobicContact CD1-CD2 4.34Å; I206-F248 HydrophobicContact CD1-CG 4.09Å; I206-F248 HydrophobicContact CG1-CB 4.4Å; I206-V250 HydrophobicContact CG2-CG2 3.68Å
207	R	98.6	Very high	98	Very high	76 Å²	76	36 Å²	36	29%	0.287	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.3	168.7	-69.4	176.8	-176.8	168.3	1.3	109.8	L65 L66 H67 L226 L231 E232	L65-R207 HydrophobicContact CD1-CG 4.09Å; L66-R207 PolarHBondContact O-N 2.9Å; H67-R207 HydrophobicContact CB-CB 3.95Å; H67-R207 VanDerWaalsContact CD2-CB 3.46Å; H67-R207 WeakPolarHBondContact CD2-CB 3.37Å; R207-L226 HydrophobicContact CG-CD1 3.88Å; R207-L231 CarbonylContact C-O 3.56Å; R207-L231 VanDerWaalsContact CA-O 3.29Å; R207-L231 WeakPolarHBondContact CA-O 3.36Å; R207-E232 HydrophobicContact CG-CB 4.1Å; R207-E232 HydrophobicContact CG-CG 4.02Å; R207-E232 IonicContact CZ-OE2 3.67Å; R207-E232 IonicContact NE-OE2 3.35Å; R207-E232 PolarHBondContact NE-OE2 3.23Å; R207-E232 IonicContact NH2-OE2 2.7Å; R207-E232 PolarHBondContact NH2-OE2 2.93Å
208	R	97.5	Very high	98.1	Very high	26 Å²	26	35.5 Å²	35.5	10%	0.098	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	165.1	-178.7	56.6	163.7	176.6	83.3	8.1	111.4	Y212 I213 L230 L231 D233 V250	R208-Y212 VanDerWaalsContact CD-O 3.26Å; R208-Y212 WeakPolarHBondContact CD-O 3.21Å; R208-Y212 PolarHBondContact NE-O 3.07Å; R208-Y212 PolarHBondContact NH1-O 3.45Å; R208-I213 VanDerWaalsContact CD-C 3.47Å; R208-L230 WeakPolarHBondContact O-CA 3.43Å; R208-L231 PolarHBondContact N-O 3.22Å; R208-L231 PolarHBondContact O-N 2.91Å; R208-D233 IonicContact CZ-OD1 3.74Å; R208-D233 IonicContact CZ-OD2 3.61Å; R208-D233 IonicContact NE-OD2 3.05Å; R208-D233 PolarHBondContact NE-OD2 3.09Å; R208-D233 VanDerWaalsContact NH2-CG 3.29Å; R208-D233 IonicContact NH2-OD1 2.59Å; R208-D233 PolarHBondContact NH2-OD1 3.13Å; R208-D233 IonicContact NH2-OD2 2.93Å; R208-D233 PolarHBondContact NH2-OD2 3.24Å; R208-V250 HydrophobicContact CB-CG1 4.13Å
209	S	95.3	Very high	98.1	Very high	38 Å²	38	37.1 Å²	37.1	27%	0.266	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	167.8	167.5	70.1	0	0	0	0	111.5	D211 Y212	S209-D211 VanDerWaalsContact C-N 3.27Å; S209-D211 PolarHBondContact O-N 2.74Å; S209-Y212 WeakPolarHBondContact OG-CD2 3.41Å
210	R	94.5	Very high	98.1	Very high	120 Å²	120	39.7 Å²	39.7	45%	0.453	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.9	-179.8	-73.2	179.3	177	-84.9	-1.7	114.3	Y212 Q225 L231	R210-Y212 VanDerWaalsContact C-N 3.3Å; R210-Y212 PolarHBondContact O-N 3.16Å; R210-Q225 VanDerWaalsContact NH2-OE1 3.1Å; R210-L231 HydrophobicContact CG-CD1 3.99Å; R210-L231 HydrophobicContact CG-CG 4.15Å
211	D	93.6	Very high	98	Very high	137 Å²	137	45 Å²	45	73%	0.733	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-18	-174.1	-56.2	-42.4	0	0	0	113.1	S209	S209-D211 VanDerWaalsContact C-N 3.27Å; S209-D211 PolarHBondContact O-N 2.74Å
212	Y	97.6	Very high	98	Very high	51 Å²	51	48.5 Å²	48.5	20%	0.2	23%	0.233	C	C	.	.			trans	-101.6	156.9	176.5	-62.5	-68.5	0	0	0	111.1	L70 R208 S209 R210 V250 C251 D252	L70-Y212 HydrophobicContact CB-CE2 4.33Å; L70-Y212 HydrophobicContact CD1-CD1 3.93Å; L70-Y212 HydrophobicContact CD1-CD2 4.04Å; L70-Y212 HydrophobicContact CD1-CE1 3.62Å; L70-Y212 HydrophobicContact CD1-CE2 3.78Å; L70-Y212 HydrophobicContact CD1-CG 4.13Å; L70-Y212 HydrophobicContact CG-CE2 4.46Å; R208-Y212 VanDerWaalsContact CD-O 3.26Å; R208-Y212 WeakPolarHBondContact CD-O 3.21Å; R208-Y212 PolarHBondContact NE-O 3.07Å; R208-Y212 PolarHBondContact NH1-O 3.45Å; S209-Y212 WeakPolarHBondContact OG-CD2 3.41Å; R210-Y212 VanDerWaalsContact C-N 3.3Å; R210-Y212 PolarHBondContact O-N 3.16Å; Y212-V250 HydrophobicContact CD2-CG1 4.46Å; Y212-V250 HydrophobicContact CG-CG1 4.02Å; Y212-C251 CarbonylContact C-O 3.08Å; Y212-C251 WeakPolarHBondContact CA-O 3.31Å; Y212-D252 HydrophobicContact CD1-CB 4.26Å
213	I	98.5	Very high	97.9	Very high	57 Å²	57	51.8 Å²	51.8	29%	0.292	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	163	159.7	60.6	167.3	0	0	0	109.4	R208 L215 V250 C251 Y269	R208-I213 VanDerWaalsContact CD-C 3.47Å; I213-L215 HydrophobicContact CD1-CD1 4.47Å; I213-L215 HydrophobicContact CD1-CD2 4.31Å; I213-L215 HydrophobicContact CD1-CG 4.32Å; I213-V250 WeakPolarHBondContact O-CA 3.5Å; I213-C251 VanDerWaalsContact CG1-O 3.25Å; I213-C251 WeakPolarHBondContact CG1-O 3.19Å; I213-C251 PolarHBondContact N-O 3.11Å; I213-C251 PolarHBondContact O-N 2.77Å; I213-Y269 HydrophobicContact CD1-CD1 4.14Å; I213-Y269 HydrophobicContact CD1-CE1 3.84Å
214	S	98.8	Very high	97.9	Very high	5 Å²	5	52.9 Å²	52.9	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.4	164.9	76.9	0	0	0	0	110.8	D233 F235 I249	S214-D233 WeakPolarHBondContact OG-CB 3.49Å; S214-D233 PolarHBondContact OG-OD2 3Å; S214-F235 WeakPolarHBondContact OG-CZ 3.37Å; S214-I249 CarbonylContact C-O 3.53Å; S214-I249 VanDerWaalsContact CA-O 3.27Å; S214-I249 WeakPolarHBondContact CA-O 3.01Å
215	L	98.9	Very high	97.8	Very high	12 Å²	12	58.4 Å²	58.4	6%	0.063	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.1	176	-57.3	175.2	0	0	0	108.7	I213 F248 I249 Y269 I308 L323	I213-L215 HydrophobicContact CD1-CD1 4.47Å; I213-L215 HydrophobicContact CD1-CD2 4.31Å; I213-L215 HydrophobicContact CD1-CG 4.32Å; L215-F248 CarbonylContact O-C 3.46Å; L215-F248 WeakPolarHBondContact O-CA 3.43Å; L215-I249 HydrophobicContact CB-CB 4.49Å; L215-I249 PolarHBondContact N-O 2.99Å; L215-I249 PolarHBondContact O-N 3.31Å; L215-Y269 HydrophobicContact CD1-CD1 3.81Å; L215-Y269 HydrophobicContact CD1-CD2 4.06Å; L215-Y269 HydrophobicContact CD1-CE1 3.89Å; L215-Y269 HydrophobicContact CD1-CE2 4.13Å; L215-Y269 HydrophobicContact CD1-CG 3.91Å; L215-Y269 HydrophobicContact CD2-CE1 3.93Å; L215-Y269 HydrophobicContact CD2-CE2 4.31Å; L215-Y269 HydrophobicContact CG-CE1 4.49Å; L215-I308 HydrophobicContact CD1-CD1 3.94Å; L215-L323 HydrophobicContact CB-CD1 4.08Å; L215-L323 HydrophobicContact CB-CD2 3.79Å; L215-L323 HydrophobicContact CD1-CD1 4.16Å
216	S	98.9	Very high	97.6	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	-177	170.4	-171.9	0	0	0	0	109.6	M218 A247 K304	S216-M218 PolarHBondContact O-N 2.91Å; S216-A247 WeakPolarHBondContact CA-O 3.49Å; S216-A247 WeakPolarHBondContact CB-O 3.43Å; S216-A247 PolarHBondContact OG-O 3.22Å; S216-K304 PolarHBondContact O-NZ 3.07Å
217	N	98.9	Very high	96.9	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	32%	0.319	C	S	.	.	S	Bend	trans	-51.6	-41.6	-179.9	-61.6	96.5	0	0	0	113.1	M241 L245 A247 K304 W321	N217-M241 HydrophobicContact CB-CE 4.29Å; N217-L245 PolarHBondContact ND2-O 3.04Å; N217-A247 PolarHBondContact N-O 2.79Å; N217-A247 PolarHBondContact OD1-N 2.73Å; N217-A247 PolarHBondContact OD1-O 3.01Å; N217-K304 WeakPolarHBondContact O-CE 3.37Å; N217-K304 PolarHBondContact O-NZ 3.1Å; N217-W321 VanDerWaalsContact CA-O 3.29Å; N217-W321 WeakPolarHBondContact CA-O 3.34Å; N217-W321 WeakPolarHBondContact CB-O 3.42Å; N217-W321 PolarHBondContact ND2-O 3.08Å
218	M	98.9	Very high	96.1	Very high	19 Å²	19	62.4 Å²	62.4	9%	0.094	33%	0.333	C	S	.	.	S	Bend	trans	-105.2	165.2	-173.8	-65.9	-54.1	-73.1	0	0	111.9	S216 F235 A236 P237 L302	S216-M218 PolarHBondContact O-N 2.91Å; M218-F235 WeakPolarHBondContact O-CD1 3.39Å; M218-A236 HydrophobicContact CB-CB 4.12Å; M218-A236 WeakPolarHBondContact CB-O 3.39Å; M218-A236 HydrophobicContact CE-CB 4.35Å; M218-A236 VanDerWaalsContact CG-O 3.27Å; M218-A236 WeakPolarHBondContact CG-O 3.38Å; M218-P237 WeakPolarHBondContact CE-O 3.44Å; M218-L302 HydrophobicContact CE-CD2 4.25Å; M218-L302 HydrophobicContact SD-CD1 3.98Å; M218-L302 HydrophobicContact SD-CD2 3.84Å; M218-L302 HydrophobicContact SD-CG 4.36Å
219	P	98.6	Very high	95.7	Very high	45 Å²	45	66.9 Å²	66.9	29%	0.292	36%	0.358	S	S	.	.			trans	-69.8	152.3	173.7	29.3	-37.1	0	0	0	112.3	I221 F235 A236 P303 K304	P219-I221 PolarHBondContact O-N 3.39Å; P219-F235 WeakPolarHBondContact O-CA 3.36Å; P219-A236 HydrophobicContact CG-CB 4.33Å; P219-A236 PolarHBondContact O-N 3.18Å; P219-P303 HydrophobicContact CG-CG 3.66Å; P219-K304 HydrophobicContact CB-CG 4.47Å
220	V	98.6	Very high	95.7	Very high	62 Å²	62	67.5 Å²	67.5	38%	0.376	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	125	169.1	179	0	0	0	0	109.2	D233 F235	V220-D233 HydrophobicContact CG1-CB 4.38Å; V220-D233 HydrophobicContact CG2-CB 4.36Å; V220-F235 HydrophobicContact CG2-CD1 3.78Å; V220-F235 HydrophobicContact CG2-CE1 3.38Å; V220-F235 HydrophobicContact CG2-CZ 3.86Å
221	I	98.1	Very high	95.9	Very high	112 Å²	112	62.8 Å²	62.8	57%	0.574	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	-29.3	174.3	55	164.5	0	0	0	112	P219 Q234 A236	P219-I221 PolarHBondContact O-N 3.39Å; I221-Q234 HydrophobicContact CG1-CB 4.15Å; I221-Q234 WeakPolarHBondContact CG1-O 3.42Å; I221-Q234 PolarHBondContact N-O 2.99Å; I221-A236 HydrophobicContact CG2-CB 3.66Å
222	K	98.1	Very high	96.1	Very high	122 Å²	122	56.8 Å²	56.8	53%	0.53	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	136.9	-175.9	-167.3	179.8	-174.2	-175.3	0	110.6	V224 Q234	K222-V224 HydrophobicContact CD-CG2 3.84Å; K222-V224 HydrophobicContact CG-CG2 3.98Å; K222-Q234 HydrophobicContact CB-CB 4.4Å; K222-Q234 PolarHBondContact N-O 2.97Å; K222-Q234 PolarHBondContact O-N 3.31Å
223	T	98.3	Very high	96.2	Very high	70 Å²	70	54.5 Å²	54.5	43%	0.429	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.4	165.4	-58.2	0	0	0	0	108.5	L231 E232 D233	T223-L231 HydrophobicContact CG2-CB 3.97Å; T223-L231 HydrophobicContact CG2-CD1 4.24Å; T223-L231 HydrophobicContact CG2-CD2 4.36Å; T223-L231 HydrophobicContact CG2-CG 4.42Å; T223-E232 CarbonylContact C-O 3.49Å; T223-E232 WeakPolarHBondContact CA-O 3.3Å; T223-D233 WeakPolarHBondContact CB-OD1 3Å; T223-D233 WeakPolarHBondContact CG2-OD1 3.24Å; T223-D233 PolarHBondContact OG1-OD1 2.73Å
224	V	97.4	Very high	96.2	Very high	41 Å²	41	53.7 Å²	53.7	25%	0.248	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.7	-179.6	-176.4	0	0	0	0	109.2	K222 L226 L231 E232	K222-V224 HydrophobicContact CD-CG2 3.84Å; K222-V224 HydrophobicContact CG-CG2 3.98Å; V224-L226 HydrophobicContact CG1-CD2 4.37Å; V224-L231 CarbonylContact O-C 3.58Å; V224-L231 WeakPolarHBondContact O-CA 3.48Å; V224-E232 PolarHBondContact N-O 3.35Å; V224-E232 PolarHBondContact O-N 2.63Å
225	Q	96.6	Very high	96.2	Very high	121 Å²	121	54 Å²	54	57%	0.565	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.2	169.4	-176.6	169.6	-2.5	0	0	109.8	R210 L231	R210-Q225 VanDerWaalsContact NH2-OE1 3.1Å; Q225-L231 HydrophobicContact CB-CD2 4.1Å; Q225-L231 HydrophobicContact CG-CD2 4.31Å
226	L	94.6	Very high	96.2	Very high	49 Å²	49	54.2 Å²	54.2	26%	0.257	30%	0.3	S	S	.	.			trans	-97.7	-177.6	174.3	-60.2	-175.6	0	0	0	110.4	R207 V224 L230 E232	R207-L226 HydrophobicContact CG-CD1 3.88Å; V224-L226 HydrophobicContact CG1-CD2 4.37Å; L226-L230 HydrophobicContact CB-CB 4.3Å; L226-L230 PolarHBondContact N-O 3.32Å; L226-E232 HydrophobicContact CD1-CB 3.93Å; L226-E232 HydrophobicContact CD2-CB 4.4Å; L226-E232 HydrophobicContact CG-CB 4.09Å
227	N	84.7	Confident	96.2	Very high	161 Å²	161	57.5 Å²	57.5	86%	0.861	32%	0.322	S	S	*	.	S	Bend	trans	-60.5	136.7	174.5	-67.1	-16.4	0	0	0	110.8
228	G	82.9	Confident	96.2	Very high	57 Å²	57	57.6 Å²	57.6	59%	0.588	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-145.8	-174.3	0	0	0	0	0	113
229	D	87.7	Confident	96.2	Very high	119 Å²	119	58.2 Å²	58.2	64%	0.636	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	17	-178.6	-69	-42.8	0	0	0	113.9
230	L	96.1	Very high	96.2	Very high	52 Å²	52	59.5 Å²	59.5	27%	0.272	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	140.4	179.5	-67.9	176.7	0	0	0	112.3	R208 L226	R208-L230 WeakPolarHBondContact O-CA 3.43Å; L226-L230 HydrophobicContact CB-CB 4.3Å; L226-L230 PolarHBondContact N-O 3.32Å
231	L	98.1	Very high	96.2	Very high	20 Å²	20	56.6 Å²	56.6	11%	0.105	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.4	171.3	-60.4	179.5	0	0	0	109.2	R207 R208 R210 T223 V224 Q225	R207-L231 CarbonylContact C-O 3.56Å; R207-L231 VanDerWaalsContact CA-O 3.29Å; R207-L231 WeakPolarHBondContact CA-O 3.36Å; R208-L231 PolarHBondContact N-O 3.22Å; R208-L231 PolarHBondContact O-N 2.91Å; R210-L231 HydrophobicContact CG-CD1 3.99Å; R210-L231 HydrophobicContact CG-CG 4.15Å; T223-L231 HydrophobicContact CG2-CB 3.97Å; T223-L231 HydrophobicContact CG2-CD1 4.24Å; T223-L231 HydrophobicContact CG2-CD2 4.36Å; T223-L231 HydrophobicContact CG2-CG 4.42Å; V224-L231 CarbonylContact O-C 3.58Å; V224-L231 WeakPolarHBondContact O-CA 3.48Å; Q225-L231 HydrophobicContact CB-CD2 4.1Å; Q225-L231 HydrophobicContact CG-CD2 4.31Å
232	E	98.6	Very high	96.2	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.051	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.5	170.4	-172.6	178.4	105.3	0	0	109.4	R205 I206 R207 T223 V224 L226 Q234	R205-E232 HydrophobicContact CB-CG 4.36Å; I206-E232 WeakPolarHBondContact O-CA 3.48Å; R207-E232 HydrophobicContact CG-CB 4.1Å; R207-E232 HydrophobicContact CG-CG 4.02Å; R207-E232 IonicContact CZ-OE2 3.67Å; R207-E232 IonicContact NE-OE2 3.35Å; R207-E232 PolarHBondContact NE-OE2 3.23Å; R207-E232 IonicContact NH2-OE2 2.7Å; R207-E232 PolarHBondContact NH2-OE2 2.93Å; T223-E232 CarbonylContact C-O 3.49Å; T223-E232 WeakPolarHBondContact CA-O 3.3Å; V224-E232 PolarHBondContact N-O 3.35Å; V224-E232 PolarHBondContact O-N 2.63Å; L226-E232 HydrophobicContact CD1-CB 3.93Å; L226-E232 HydrophobicContact CD2-CB 4.4Å; L226-E232 HydrophobicContact CG-CB 4.09Å; E232-Q234 HydrophobicContact CG-CG 4.48Å; E232-Q234 PolarHBondContact OE1-NE2 3.33Å
233	D	98.8	Very high	96.3	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.7	170.9	-67.7	-31	0	0	0	109.2	R205 I206 R208 S214 V220 T223 F235	R205-D233 CarbonylContact C-O 3.58Å; R205-D233 VanDerWaalsContact CA-O 3.24Å; R205-D233 WeakPolarHBondContact CA-O 3.45Å; I206-D233 PolarHBondContact N-O 2.82Å; I206-D233 PolarHBondContact O-N 3.45Å; R208-D233 IonicContact CZ-OD1 3.74Å; R208-D233 IonicContact CZ-OD2 3.61Å; R208-D233 IonicContact NE-OD2 3.05Å; R208-D233 PolarHBondContact NE-OD2 3.09Å; R208-D233 VanDerWaalsContact NH2-CG 3.29Å; R208-D233 IonicContact NH2-OD1 2.59Å; R208-D233 PolarHBondContact NH2-OD1 3.13Å; R208-D233 IonicContact NH2-OD2 2.93Å; R208-D233 PolarHBondContact NH2-OD2 3.24Å; S214-D233 WeakPolarHBondContact OG-CB 3.49Å; S214-D233 PolarHBondContact OG-OD2 3Å; V220-D233 HydrophobicContact CG1-CB 4.38Å; V220-D233 HydrophobicContact CG2-CB 4.36Å; T223-D233 WeakPolarHBondContact CB-OD1 3Å; T223-D233 WeakPolarHBondContact CG2-OD1 3.24Å; T223-D233 PolarHBondContact OG1-OD1 2.73Å; D233-F235 HydrophobicContact CB-CE2 4.03Å; D233-F235 HydrophobicContact CB-CZ 4.34Å
234	Q	98.8	Very high	96.3	Very high	40 Å²	40	42.2 Å²	42.2	19%	0.187	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.2	176	-57.6	-176.7	-7.2	0	0	107.7	R205 I221 K222 E232	R205-Q234 HydrophobicContact CG-CB 4.49Å; R205-Q234 HydrophobicContact CG-CG 4.14Å; I221-Q234 HydrophobicContact CG1-CB 4.15Å; I221-Q234 WeakPolarHBondContact CG1-O 3.42Å; I221-Q234 PolarHBondContact N-O 2.99Å; K222-Q234 HydrophobicContact CB-CB 4.4Å; K222-Q234 PolarHBondContact N-O 2.97Å; K222-Q234 PolarHBondContact O-N 3.31Å; E232-Q234 HydrophobicContact CG-CG 4.48Å; E232-Q234 PolarHBondContact OE1-NE2 3.33Å
235	F	98.9	Very high	96.3	Very high	10 Å²	10	40.2 Å²	40.2	4%	0.044	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	151.4	179.9	-64.9	-88.5	0	0	0	110.9	V204 I206 S214 M218 P219 V220 D233	V204-F235 HydrophobicContact CB-CB 4.47Å; V204-F235 HydrophobicContact CB-CD2 4.24Å; V204-F235 HydrophobicContact CG1-CD2 4.15Å; V204-F235 WeakPolarHBondContact O-CB 3.3Å; V204-F235 WeakPolarHBondContact O-CD2 3.45Å; V204-F235 PolarHBondContact O-N 3.21Å; I206-F235 HydrophobicContact CB-CE2 4.29Å; I206-F235 HydrophobicContact CG1-CE2 3.79Å; S214-F235 WeakPolarHBondContact OG-CZ 3.37Å; M218-F235 WeakPolarHBondContact O-CD1 3.39Å; P219-F235 WeakPolarHBondContact O-CA 3.36Å; V220-F235 HydrophobicContact CG2-CD1 3.78Å; V220-F235 HydrophobicContact CG2-CE1 3.38Å; V220-F235 HydrophobicContact CG2-CZ 3.86Å; D233-F235 HydrophobicContact CB-CE2 4.03Å; D233-F235 HydrophobicContact CB-CZ 4.34Å
236	A	98.8	Very high	96.5	Very high	17 Å²	17	34.5 Å²	34.5	14%	0.14	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-60	149.2	172.2	0	0	0	0	0	110.4	M218 P219 I221 S238	M218-A236 HydrophobicContact CB-CB 4.12Å; M218-A236 WeakPolarHBondContact CB-O 3.39Å; M218-A236 HydrophobicContact CE-CB 4.35Å; M218-A236 VanDerWaalsContact CG-O 3.27Å; M218-A236 WeakPolarHBondContact CG-O 3.38Å; P219-A236 HydrophobicContact CG-CB 4.33Å; P219-A236 PolarHBondContact O-N 3.18Å; I221-A236 HydrophobicContact CG2-CB 3.66Å; A236-S238 PolarHBondContact O-N 3.35Å
237	P	98.8	Very high	96.7	Very high	72 Å²	72	32.1 Å²	32.1	47%	0.468	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-59.3	136.3	172.5	-21.9	32.9	0	0	0	111.5	F202 M218	F202-P237 CarbonylContact O-C 3.58Å; F202-P237 WeakPolarHBondContact O-CA 3.48Å; M218-P237 WeakPolarHBondContact CE-O 3.44Å
238	S	98.8	Very high	97.3	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.042	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-69.2	164.7	173.9	76	0	0	0	0	111.8	N201 F202 A236	N201-S238 PolarHBondContact ND2-O 2.59Å; F202-S238 PolarHBondContact N-OG 2.88Å; F202-S238 PolarHBondContact O-N 2.89Å; A236-S238 PolarHBondContact O-N 3.35Å
239	V	98.6	Very high	98.1	Very high	31 Å²	31	21.8 Å²	21.8	19%	0.188	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-65.6	171.3	157.6	-62.4	0	0	0	0	110.8	M241 L302 W321 Y469	V239-M241 PolarHBondContact O-N 2.86Å; V239-L302 HydrophobicContact CG1-CD2 3.9Å; V239-L302 HydrophobicContact CG2-CD2 4.01Å; V239-W321 HydrophobicContact CG2-CD2 4.15Å; V239-W321 HydrophobicContact CG2-CE3 3.74Å; V239-W321 HydrophobicContact CG2-CH2 3.65Å; V239-W321 HydrophobicContact CG2-CZ2 4.08Å; V239-W321 HydrophobicContact CG2-CZ3 3.47Å; V239-W321 VanDerWaalsContact CG2-CZ3 3.47Å; V239-Y469 HydrophobicContact CB-CD1 4.17Å; V239-Y469 HydrophobicContact CB-CE1 3.75Å; V239-Y469 HydrophobicContact CG1-CE1 4.02Å; V239-Y469 HydrophobicContact CG2-CD1 4.35Å; V239-Y469 HydrophobicContact CG2-CE1 3.95Å
240	M	98.3	Very high	98.6	Very high	72 Å²	72	16.3 Å²	16.3	36%	0.355	9%	0.091	S	C	.	.	S	Bend	trans	-61.7	117.6	171.3	-77.3	-95.2	-69	0	0	110	K199 A200	K199-M240 HydrophobicContact CB-CE 4.16Å; A200-M240 WeakPolarHBondContact O-CA 3.27Å
241	M	98.9	Very high	98.7	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.01	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-148.7	164.8	-179.7	70	-173.9	-170.4	0	0	111.5	K199 A200 F202 N217 V239 L245 V246 W321	K199-M241 VanDerWaalsContact CA-O 3.3Å; K199-M241 WeakPolarHBondContact CA-O 3.42Å; A200-M241 PolarHBondContact N-O 3.06Å; A200-M241 PolarHBondContact O-N 3.19Å; F202-M241 HydrophobicContact CB-CE 4.32Å; F202-M241 HydrophobicContact CD2-CE 3.65Å; F202-M241 HydrophobicContact CD2-CG 3.92Å; F202-M241 HydrophobicContact CE2-CE 4.28Å; F202-M241 HydrophobicContact CE2-CG 3.94Å; F202-M241 WeakPolarHBondContact CE2-O 3.28Å; F202-M241 HydrophobicContact CG-CE 4.15Å; N217-M241 HydrophobicContact CB-CE 4.29Å; V239-M241 PolarHBondContact O-N 2.86Å; M241-L245 HydrophobicContact CB-CD1 4.4Å; M241-L245 HydrophobicContact SD-CB 4.44Å; M241-V246 HydrophobicContact CE-CB 4.49Å; M241-V246 HydrophobicContact CE-CG2 3.83Å; M241-W321 HydrophobicContact CB-CE3 3.64Å; M241-W321 HydrophobicContact CB-CZ3 3.89Å; M241-W321 HydrophobicContact SD-CB 4.21Å; M241-W321 HydrophobicContact SD-CE3 4.27Å
242	S	98.9	Very high	98.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.			trans	-78.7	154.6	179.2	-53.9	0	0	0	0	111.6	P196 K199 Y244 L245	P196-S242 PolarHBondContact O-OG 3.49Å; K199-S242 WeakPolarHBondContact CE-OG 3.42Å; S242-Y244 VanDerWaalsContact C-N 3.29Å; S242-Y244 PolarHBondContact O-N 3.47Å; S242-L245 PolarHBondContact O-N 3.08Å
243	T	98.9	Very high	98.7	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-58.6	-36.5	-178.1	48.1	0	0	0	0	113.5	C192 D194 F202 L245 V246	C192-T243 HydrophobicContact CB-CG2 4.07Å; D194-T243 WeakPolarHBondContact OD1-CB 3.18Å; D194-T243 PolarHBondContact OD1-OG1 3.42Å; F202-T243 HydrophobicContact CZ-CG2 4.07Å; T243-L245 PolarHBondContact O-N 2.71Å; T243-L245 VanDerWaalsContact O-N 3.13Å; T243-V246 WeakPolarHBondContact O-CB 3.37Å; T243-V246 WeakPolarHBondContact O-CG2 3.26Å; T243-V246 PolarHBondContact O-N 2.97Å; T243-V246 VanDerWaalsContact O-N 3.12Å
244	Y	98.8	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-64.2	-17.2	-178.7	83.2	-93.7	0	0	0	113.7	E182 P196 S242 M318 G360 T364 W368 N374	E182-Y244 HydrophobicContact CB-CD2 3.84Å; E182-Y244 HydrophobicContact CG-CD2 3.78Å; E182-Y244 HydrophobicContact CG-CE2 4.23Å; E182-Y244 HydrophobicContact CG-CG 4.43Å; P196-Y244 HydrophobicContact CB-CD1 4.44Å; P196-Y244 HydrophobicContact CB-CE1 4.34Å; S242-Y244 VanDerWaalsContact C-N 3.29Å; S242-Y244 PolarHBondContact O-N 3.47Å; Y244-M318 HydrophobicContact CD2-CE 3.61Å; Y244-M318 HydrophobicContact CE2-CE 3.73Å; Y244-G360 PolarHBondContact OH-O 2.92Å; Y244-T364 HydrophobicContact CE1-CG2 3.86Å; Y244-W368 HydrophobicContact CD1-CH2 4.1Å; Y244-W368 HydrophobicContact CD1-CZ2 4.46Å; Y244-W368 HydrophobicContact CE1-CH2 4.4Å; Y244-W368 HydrophobicContact CG-CH2 4.17Å; Y244-N374 PolarHBondContact OH-ND2 3.18Å
245	L	98.9	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-91.3	-11.1	178.8	-65	172.3	0	0	0	113.6	N217 M241 S242 T243 A247 M318 E319 N320 N361	N217-L245 PolarHBondContact ND2-O 3.04Å; M241-L245 HydrophobicContact CB-CD1 4.4Å; M241-L245 HydrophobicContact SD-CB 4.44Å; S242-L245 PolarHBondContact O-N 3.08Å; T243-L245 PolarHBondContact O-N 2.71Å; T243-L245 VanDerWaalsContact O-N 3.13Å; L245-A247 PolarHBondContact O-N 3.45Å; L245-M318 HydrophobicContact CD2-CE 4.01Å; L245-E319 HydrophobicContact CD2-CG 3.75Å; L245-N320 WeakPolarHBondContact O-CB 3.39Å; L245-N361 HydrophobicContact CD1-CB 4.08Å; L245-N361 VanDerWaalsContact CD1-OD1 3.27Å; L245-N361 WeakPolarHBondContact CD1-OD1 3.41Å; L245-N361 WeakPolarHBondContact CD2-OD1 3.48Å
246	V	98.9	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.			trans	-60.8	133.3	175.4	178.9	0	0	0	0	108.5	F181 F190 F202 M241 T243 F248	F181-V246 HydrophobicContact CD2-CB 4.09Å; F181-V246 WeakPolarHBondContact CD2-O 3.32Å; F181-V246 HydrophobicContact CE2-CB 3.92Å; F181-V246 HydrophobicContact CE2-CG1 4.06Å; F181-V246 WeakPolarHBondContact CE2-O 3.13Å; F190-V246 HydrophobicContact CE1-CB 4.49Å; F190-V246 HydrophobicContact CE1-CG1 4.13Å; F190-V246 HydrophobicContact CZ-CB 4.31Å; F190-V246 HydrophobicContact CZ-CG1 4.25Å; F190-V246 HydrophobicContact CZ-CG2 4.22Å; F202-V246 HydrophobicContact CD1-CG2 3.56Å; F202-V246 HydrophobicContact CD2-CG2 3.97Å; F202-V246 HydrophobicContact CE1-CG2 3.48Å; F202-V246 VanDerWaalsContact CE1-CG2 3.48Å; F202-V246 HydrophobicContact CE2-CG2 3.89Å; F202-V246 HydrophobicContact CG-CG2 3.83Å; F202-V246 HydrophobicContact CZ-CG2 3.65Å; M241-V246 HydrophobicContact CE-CB 4.49Å; M241-V246 HydrophobicContact CE-CG2 3.83Å; T243-V246 WeakPolarHBondContact O-CB 3.37Å; T243-V246 WeakPolarHBondContact O-CG2 3.26Å; T243-V246 PolarHBondContact O-N 2.97Å; T243-V246 VanDerWaalsContact O-N 3.12Å; V246-F248 HydrophobicContact CG1-CD1 4.14Å; V246-F248 HydrophobicContact CG1-CE1 3.99Å
247	A	98.9	Very high	98.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.			trans	-140.8	143.2	176	0	0	0	0	0	111.2	T179 S216 N217 L245 N320 L323	T179-A247 WeakPolarHBondContact OG1-CA 3.33Å; S216-A247 WeakPolarHBondContact CA-O 3.49Å; S216-A247 WeakPolarHBondContact CB-O 3.43Å; S216-A247 PolarHBondContact OG-O 3.22Å; N217-A247 PolarHBondContact N-O 2.79Å; N217-A247 PolarHBondContact OD1-N 2.73Å; N217-A247 PolarHBondContact OD1-O 3.01Å; L245-A247 PolarHBondContact O-N 3.45Å; A247-N320 HydrophobicContact CB-CB 3.58Å; A247-L323 HydrophobicContact CB-CB 4.4Å; A247-L323 HydrophobicContact CB-CD2 4.11Å; A247-L323 HydrophobicContact CB-CG 4.47Å
248	F	98.6	Very high	98.7	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.3	167	41.9	-95	0	0	0	110.6	L66 F161 T179 F181 A189 F190 V204 I206 L215 V246	L66-F248 HydrophobicContact CD1-CD1 3.87Å; L66-F248 HydrophobicContact CD1-CD2 3.72Å; L66-F248 HydrophobicContact CD1-CE1 3.44Å; L66-F248 VanDerWaalsContact CD1-CE1 3.44Å; L66-F248 HydrophobicContact CD1-CE2 3.26Å; L66-F248 HydrophobicContact CD1-CG 4.01Å; L66-F248 HydrophobicContact CD1-CZ 3.11Å; F161-F248 HydrophobicContact CB-CE2 4.38Å; F161-F248 AromaticContact CD1-CE2 3.91Å; F161-F248 HydrophobicContact CD1-CE2 3.91Å; F161-F248 HydrophobicContact CD2-CD2 4.07Å; F161-F248 AromaticContact CD2-CE2 3.62Å; F161-F248 HydrophobicContact CD2-CE2 3.62Å; F161-F248 HydrophobicContact CE1-CD2 4.46Å; F161-F248 AromaticContact CE1-CE2 3.98Å; F161-F248 HydrophobicContact CE1-CE2 3.98Å; F161-F248 AromaticContact CE2-CD2 3.73Å; F161-F248 HydrophobicContact CE2-CD2 3.73Å; F161-F248 AromaticContact CE2-CE2 3.7Å; F161-F248 HydrophobicContact CE2-CE2 3.7Å; F161-F248 AromaticContact CG-CE2 3.74Å; F161-F248 HydrophobicContact CG-CE2 3.74Å; F161-F248 AromaticContact CZ-CD2 3.95Å; F161-F248 HydrophobicContact CZ-CD2 3.95Å; F161-F248 AromaticContact CZ-CE2 3.89Å; F161-F248 HydrophobicContact CZ-CE2 3.89Å; T179-F248 HydrophobicContact CG2-CD1 4.41Å; T179-F248 HydrophobicContact CG2-CD2 3.54Å; T179-F248 HydrophobicContact CG2-CE1 4.18Å; T179-F248 HydrophobicContact CG2-CE2 3.25Å; T179-F248 HydrophobicContact CG2-CG 4.12Å; T179-F248 HydrophobicContact CG2-CZ 3.6Å; T179-F248 WeakPolarHBondContact CG2-O 3.46Å; T179-F248 PolarHBondContact OG1-N 3.36Å; T179-F248 PolarHBondContact OG1-O 3.39Å; F181-F248 HydrophobicContact CE2-CE1 4.2Å; F181-F248 HydrophobicContact CE2-CZ 4.4Å; F181-F248 HydrophobicContact CZ-CE1 4.04Å; F181-F248 AromaticContact CZ-CZ 3.78Å; F181-F248 HydrophobicContact CZ-CZ 3.78Å; A189-F248 HydrophobicContact CB-CZ 4.14Å; F190-F248 HydrophobicContact CE1-CE1 4.42Å; V204-F248 HydrophobicContact CG1-CD1 4.49Å; I206-F248 HydrophobicContact CD1-CB 3.95Å; I206-F248 HydrophobicContact CD1-CD2 4.34Å; I206-F248 HydrophobicContact CD1-CG 4.09Å; I206-F248 HydrophobicContact CG1-CB 4.4Å; L215-F248 CarbonylContact O-C 3.46Å; L215-F248 WeakPolarHBondContact O-CA 3.43Å; V246-F248 HydrophobicContact CG1-CD1 4.14Å; V246-F248 HydrophobicContact CG1-CE1 3.99Å
249	I	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.7	-174.2	-56.7	177	0	0	0	108.9	A177 S214 L215 C251 I308 I310 L323 T325	A177-I249 CarbonylContact O-C 3.25Å; A177-I249 VanDerWaalsContact O-CA 3.29Å; A177-I249 WeakPolarHBondContact O-CA 3.37Å; A177-I249 WeakPolarHBondContact O-CG2 3.13Å; S214-I249 CarbonylContact C-O 3.53Å; S214-I249 VanDerWaalsContact CA-O 3.27Å; S214-I249 WeakPolarHBondContact CA-O 3.01Å; L215-I249 HydrophobicContact CB-CB 4.49Å; L215-I249 PolarHBondContact N-O 2.99Å; L215-I249 PolarHBondContact O-N 3.31Å; I249-C251 HydrophobicContact CG2-CB 4.26Å; I249-I308 HydrophobicContact CD1-CD1 3.91Å; I249-I308 HydrophobicContact CD1-CG2 3.66Å; I249-I308 HydrophobicContact CG2-CD1 4.18Å; I249-I310 HydrophobicContact CD1-CD1 3.97Å; I249-L323 HydrophobicContact CD1-CD1 4.44Å; I249-L323 HydrophobicContact CD1-CD2 4.03Å; I249-L323 HydrophobicContact CD1-CG 4.27Å; I249-L323 HydrophobicContact CG1-CD2 4.15Å; I249-T325 HydrophobicContact CD1-CG2 3.86Å
250	V	98.9	Very high	98.7	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.024	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.7	171.6	-176.9	0	0	0	0	108.5	P68 L70 L176 A177 I206 R208 Y212 I213	P68-V250 HydrophobicContact CG-CB 4.44Å; P68-V250 HydrophobicContact CG-CG2 3.72Å; L70-V250 HydrophobicContact CD1-CB 4.44Å; L70-V250 HydrophobicContact CD1-CG1 3.96Å; L176-V250 VanDerWaalsContact CA-O 3.28Å; L176-V250 WeakPolarHBondContact CA-O 3.44Å; L176-V250 WeakPolarHBondContact CB-O 3.34Å; A177-V250 PolarHBondContact N-O 2.79Å; A177-V250 PolarHBondContact O-N 2.89Å; I206-V250 HydrophobicContact CG2-CG2 3.68Å; R208-V250 HydrophobicContact CB-CG1 4.13Å; Y212-V250 HydrophobicContact CD2-CG1 4.46Å; Y212-V250 HydrophobicContact CG-CG1 4.02Å; I213-V250 WeakPolarHBondContact O-CA 3.5Å
251	C	98.6	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	179.4	-173.1	66.5	0	0	0	0	111.2	L176 Y212 I213 I249 F253	L176-C251 HydrophobicContact CB-CB 3.67Å; L176-C251 HydrophobicContact CD1-CB 4.46Å; Y212-C251 CarbonylContact C-O 3.08Å; Y212-C251 WeakPolarHBondContact CA-O 3.31Å; I213-C251 VanDerWaalsContact CG1-O 3.25Å; I213-C251 WeakPolarHBondContact CG1-O 3.19Å; I213-C251 PolarHBondContact N-O 3.11Å; I213-C251 PolarHBondContact O-N 2.77Å; I249-C251 HydrophobicContact CG2-CB 4.26Å; C251-F253 HydrophobicContact CB-CD1 4.01Å; C251-F253 HydrophobicContact CB-CE1 4.31Å; C251-F253 HydrophobicContact CB-CG 4.23Å
252	D	97.9	Very high	98.6	Very high	22 Å²	22	28.1 Å²	28.1	12%	0.118	17%	0.168	C	C	.	.			trans	-116.1	29.1	177.5	61.3	-23.2	0	0	0	112.1	Y166 R174 Y212	Y166-D252 PolarHBondContact OH-OD1 3.3Å; Y166-D252 PolarHBondContact OH-OD2 3.3Å; R174-D252 IonicContact CZ-OD2 3.71Å; R174-D252 IonicContact NE-OD2 2.71Å; R174-D252 IonicContact NH1-OD2 3.18Å; R174-D252 PolarHBondContact NH1-OD2 3.01Å; Y212-D252 HydrophobicContact CD1-CB 4.26Å
253	F	98.6	Very high	98.5	Very high	10 Å²	10	30.4 Å²	30.4	4%	0.044	19%	0.191	C	C	.	.			trans	-70.9	157	-175.5	-75.1	11.5	0	0	0	113.1	Y166 L176 C251 Y269 A270 A271 I308 A309 P311	Y166-F253 HydrophobicContact CD1-CE1 4.05Å; Y166-F253 HydrophobicContact CE1-CD1 4.36Å; Y166-F253 AromaticContact CE1-CE1 3.69Å; Y166-F253 HydrophobicContact CE1-CE1 3.69Å; L176-F253 HydrophobicContact CD1-CZ 4.13Å; L176-F253 HydrophobicContact CD2-CE1 4.35Å; L176-F253 HydrophobicContact CD2-CZ 4.32Å; C251-F253 HydrophobicContact CB-CD1 4.01Å; C251-F253 HydrophobicContact CB-CE1 4.31Å; C251-F253 HydrophobicContact CB-CG 4.23Å; F253-Y269 HydrophobicContact CB-CD1 4.39Å; F253-A270 WeakPolarHBondContact CA-O 3.38Å; F253-A270 VanDerWaalsContact CB-O 3.26Å; F253-A270 WeakPolarHBondContact CB-O 3.32Å; F253-A270 VanDerWaalsContact CG-C 3.45Å; F253-A270 WeakPolarHBondContact CG-O 3.33Å; F253-A271 HydrophobicContact CD1-CB 4.4Å; F253-A271 HydrophobicContact CE1-CB 4.04Å; F253-A271 HydrophobicContact CZ-CB 4.48Å; F253-I308 HydrophobicContact CD2-CD1 3.61Å; F253-I308 HydrophobicContact CD2-CG1 3.79Å; F253-I308 HydrophobicContact CE2-CD1 3.91Å; F253-I308 HydrophobicContact CE2-CG1 3.87Å; F253-A309 VanDerWaalsContact CE2-O 3.23Å; F253-A309 WeakPolarHBondContact CE2-O 3.46Å; F253-P311 HydrophobicContact CZ-CG 4.15Å
254	K	98.3	Very high	98.5	Very high	119 Å²	119	30.8 Å²	30.8	52%	0.517	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	156.8	170.5	-68.4	-176.6	178.1	176.3	0	110.1	Y269 A270 P272 W275	K254-Y269 WeakPolarHBondContact O-CA 3.37Å; K254-A270 PolarHBondContact N-O 2.88Å; K254-A270 PolarHBondContact O-N 2.95Å; K254-P272 HydrophobicContact CD-CB 4.06Å; K254-P272 HydrophobicContact CG-CB 4.28Å; K254-P272 HydrophobicContact CG-CG 4.34Å; K254-W275 HydrophobicContact CB-CB 4.37Å; K254-W275 VanDerWaalsContact CB-CD1 3.42Å; K254-W275 HydrophobicContact CB-CG 4.06Å
255	S	98.6	Very high	98.5	Very high	44 Å²	44	35.2 Å²	35.2	31%	0.308	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.7	175.6	62.1	0	0	0	0	114.8	I268 Y269 W275	S255-I268 WeakPolarHBondContact CA-O 3.39Å; S255-I268 VanDerWaalsContact CB-O 3.31Å; S255-I268 WeakPolarHBondContact CB-O 3.34Å; S255-Y269 VanDerWaalsContact CB-CE1 3.49Å; S255-W275 PolarHBondContact O-NE1 3.24Å
256	V	98.8	Very high	98.5	Very high	23 Å²	23	35.2 Å²	35.2	14%	0.139	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.3	164.7	64.1	0	0	0	0	107.4	S267 I268 W275 T278 L282	V256-S267 CarbonylContact O-C 3.59Å; V256-S267 VanDerWaalsContact O-CA 3.25Å; V256-S267 WeakPolarHBondContact O-CA 3.43Å; V256-I268 HydrophobicContact CG1-CB 4.1Å; V256-I268 HydrophobicContact CG1-CG1 4.36Å; V256-I268 PolarHBondContact N-O 3.15Å; V256-I268 VanDerWaalsContact N-O 3.14Å; V256-I268 PolarHBondContact O-N 2.9Å; V256-W275 HydrophobicContact CB-CZ2 3.87Å; V256-W275 HydrophobicContact CG2-CZ2 4.14Å; V256-T278 WeakPolarHBondContact CG1-OG1 3.21Å; V256-L282 HydrophobicContact CB-CD2 4.29Å; V256-L282 HydrophobicContact CG1-CB 4.22Å; V256-L282 HydrophobicContact CG1-CD2 3.89Å; V256-L282 HydrophobicContact CG2-CD2 3.69Å
257	S	98.8	Very high	98.5	Very high	49 Å²	49	35.3 Å²	35.3	34%	0.343	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152	-176.2	-56.2	0	0	0	0	112.9	K265 V266 S267	S257-K265 WeakPolarHBondContact OG-CE 3.27Å; S257-V266 CarbonylContact C-O 3.59Å; S257-V266 WeakPolarHBondContact CA-O 3.43Å; S257-V266 WeakPolarHBondContact CB-O 3.29Å; S257-S267 WeakPolarHBondContact OG-CB 3.3Å; S257-S267 PolarHBondContact OG-OG 3.3Å
258	A	98.8	Very high	98.5	Very high	38 Å²	38	35.3 Å²	35.3	31%	0.314	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	169	168.3	0	0	0	0	0	109.9	V266 L282 V286	A258-V266 PolarHBondContact N-O 2.87Å; A258-V266 PolarHBondContact O-N 3.01Å; A258-L282 HydrophobicContact CB-CD1 4.04Å; A258-L282 HydrophobicContact CB-CD2 3.96Å; A258-L282 HydrophobicContact CB-CG 4.13Å; A258-V286 HydrophobicContact CB-CG2 3.92Å
259	M	98.6	Very high	98.6	Very high	121 Å²	121	36.6 Å²	36.6	60%	0.596	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.8	174.4	-65.4	-64.3	-161.8	0	0	109.6	V264 K265	M259-V264 WeakPolarHBondContact CA-O 3.47Å; M259-K265 HydrophobicContact CE-CB 4.16Å; M259-K265 HydrophobicContact CE-CG 4.41Å; M259-K265 VanDerWaalsContact SD-CA 3.52Å; M259-K265 HydrophobicContact SD-CB 3.67Å; M259-K265 HydrophobicContact SD-CG 4.12Å
260	T	98.7	Very high	98.6	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	22%	0.218	C	C	.	.			trans	-70	170.4	164.8	64	0	0	0	0	111.5	S262 G263 V264 V266 V286 L289 D290	T260-S262 PolarHBondContact O-N 3.48Å; T260-S262 PolarHBondContact OG1-N 3Å; T260-S262 PolarHBondContact OG1-OG 3.15Å; T260-G263 PolarHBondContact O-N 3.49Å; T260-G263 VanDerWaalsContact O-N 3.11Å; T260-G263 PolarHBondContact OG1-N 3.28Å; T260-V264 HydrophobicContact CG2-CB 4.04Å; T260-V264 PolarHBondContact N-O 2.87Å; T260-V264 WeakPolarHBondContact OG1-CB 3.18Å; T260-V264 PolarHBondContact OG1-N 2.88Å; T260-V266 HydrophobicContact CG2-CG2 3.8Å; T260-V286 HydrophobicContact CG2-CG1 4.46Å; T260-L289 HydrophobicContact CG2-CB 4.18Å; T260-L289 HydrophobicContact CG2-CD2 3.84Å; T260-L289 HydrophobicContact CG2-CG 4.24Å; T260-D290 WeakPolarHBondContact CB-OD1 3.5Å
261	S	98.1	Very high	98.5	Very high	107 Å²	107	36.5 Å²	36.5	75%	0.748	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.7	173.1	70.5	0	0	0	0	113	G263 D290	S261-G263 VanDerWaalsContact C-N 3.35Å; S261-D290 VanDerWaalsContact CB-OD1 3.28Å; S261-D290 WeakPolarHBondContact CB-OD1 3.44Å; S261-D290 PolarHBondContact N-OD1 3.16Å; S261-D290 PolarHBondContact N-OD2 3.08Å; S261-D290 PolarHBondContact OG-OD1 3.32Å
262	S	96.7	Very high	98.5	Very high	43 Å²	43	38.4 Å²	38.4	30%	0.301	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.2	176.4	57.9	0	0	0	0	114.6	T260 E293	T260-S262 PolarHBondContact O-N 3.48Å; T260-S262 PolarHBondContact OG1-N 3Å; T260-S262 PolarHBondContact OG1-OG 3.15Å; S262-E293 WeakPolarHBondContact CB-OE2 3.44Å; S262-E293 PolarHBondContact OG-OE1 3.27Å; S262-E293 PolarHBondContact OG-OE2 3.24Å
263	G	98.3	Very high	98.4	Very high	48 Å²	48	40.6 Å²	40.6	50%	0.495	24%	0.24	S	C	.	.			trans	90	15.8	178	0	0	0	0	0	115.3	T260 S261	T260-G263 PolarHBondContact O-N 3.49Å; T260-G263 VanDerWaalsContact O-N 3.11Å; T260-G263 PolarHBondContact OG1-N 3.28Å; S261-G263 VanDerWaalsContact C-N 3.35Å
264	V	98.8	Very high	98.4	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.048	24%	0.241	C	C	.	.			trans	-77.2	128.6	173.1	-178.5	0	0	0	0	109.2	M259 T260 V266 L289 Y300 Q305	M259-V264 WeakPolarHBondContact CA-O 3.47Å; T260-V264 HydrophobicContact CG2-CB 4.04Å; T260-V264 PolarHBondContact N-O 2.87Å; T260-V264 WeakPolarHBondContact OG1-CB 3.18Å; T260-V264 PolarHBondContact OG1-N 2.88Å; V264-V266 PolarHBondContact O-N 3.33Å; V264-L289 HydrophobicContact CB-CD2 4.31Å; V264-L289 HydrophobicContact CG1-CD2 3.97Å; V264-Y300 HydrophobicContact CB-CD1 4.47Å; V264-Y300 HydrophobicContact CG1-CD1 3.76Å; V264-Y300 HydrophobicContact CG1-CE1 3.9Å; V264-Y300 HydrophobicContact CG2-CD1 3.86Å; V264-Q305 HydrophobicContact CG1-CB 4.48Å
265	K	98.9	Very high	98.3	Very high	94 Å²	94	38.6 Å²	38.6	41%	0.409	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	112	174.8	-172.4	-177.4	177.3	-173.5	0	110.3	S257 M259 P303 K304 Q305	S257-K265 WeakPolarHBondContact OG-CE 3.27Å; M259-K265 HydrophobicContact CE-CB 4.16Å; M259-K265 HydrophobicContact CE-CG 4.41Å; M259-K265 VanDerWaalsContact SD-CA 3.52Å; M259-K265 HydrophobicContact SD-CB 3.67Å; M259-K265 HydrophobicContact SD-CG 4.12Å; K265-P303 PolarHBondContact N-O 3.07Å; K265-P303 VanDerWaalsContact N-O 3.1Å; K265-K304 HydrophobicContact CB-CB 4.26Å; K265-K304 CarbonylContact O-C 3.54Å; K265-K304 WeakPolarHBondContact O-CA 3.35Å; K265-K304 WeakPolarHBondContact O-CB 3.47Å; K265-Q305 PolarHBondContact O-N 2.89Å
266	V	98.9	Very high	98.2	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.6	173.5	-177.1	0	0	0	0	109.2	S257 A258 T260 V264 I268 L282 A285 V286 L289 Q305 L307	S257-V266 CarbonylContact C-O 3.59Å; S257-V266 WeakPolarHBondContact CA-O 3.43Å; S257-V266 WeakPolarHBondContact CB-O 3.29Å; A258-V266 PolarHBondContact N-O 2.87Å; A258-V266 PolarHBondContact O-N 3.01Å; T260-V266 HydrophobicContact CG2-CG2 3.8Å; V264-V266 PolarHBondContact O-N 3.33Å; V266-I268 HydrophobicContact CG1-CD1 4.46Å; V266-L282 HydrophobicContact CB-CD1 4.19Å; V266-L282 HydrophobicContact CG1-CD1 3.93Å; V266-A285 HydrophobicContact CG1-CB 3.84Å; V266-V286 HydrophobicContact CB-CG2 3.88Å; V266-V286 HydrophobicContact CG1-CG2 4.28Å; V266-V286 HydrophobicContact CG2-CG2 4.02Å; V266-L289 HydrophobicContact CG2-CD2 4.07Å; V266-Q305 VanDerWaalsContact CA-O 3.27Å; V266-Q305 WeakPolarHBondContact CA-O 3.32Å; V266-L307 HydrophobicContact CG1-CD1 4.07Å
267	S	98.9	Very high	98.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.2	176.3	-44.4	0	0	0	0	112	V256 S257 Q305 D306 L307	V256-S267 CarbonylContact O-C 3.59Å; V256-S267 VanDerWaalsContact O-CA 3.25Å; V256-S267 WeakPolarHBondContact O-CA 3.43Å; S257-S267 WeakPolarHBondContact OG-CB 3.3Å; S257-S267 PolarHBondContact OG-OG 3.3Å; S267-Q305 PolarHBondContact N-O 3.38Å; S267-D306 WeakPolarHBondContact CB-OD1 3.38Å; S267-D306 CarbonylContact O-C 3.54Å; S267-D306 WeakPolarHBondContact O-CA 3.37Å; S267-D306 PolarHBondContact OG-OD1 3.23Å; S267-L307 PolarHBondContact O-N 3.18Å
268	I	98.9	Very high	98.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.6	174.4	-44.5	-59	0	0	0	109	S255 V256 V266 T278 A281 L282 A285 L307 L331	S255-I268 WeakPolarHBondContact CA-O 3.39Å; S255-I268 VanDerWaalsContact CB-O 3.31Å; S255-I268 WeakPolarHBondContact CB-O 3.34Å; V256-I268 HydrophobicContact CG1-CB 4.1Å; V256-I268 HydrophobicContact CG1-CG1 4.36Å; V256-I268 PolarHBondContact N-O 3.15Å; V256-I268 VanDerWaalsContact N-O 3.14Å; V256-I268 PolarHBondContact O-N 2.9Å; V266-I268 HydrophobicContact CG1-CD1 4.46Å; I268-T278 HydrophobicContact CB-CG2 4.33Å; I268-T278 HydrophobicContact CG2-CG2 3.75Å; I268-A281 HydrophobicContact CD1-CB 4.21Å; I268-A281 HydrophobicContact CG1-CB 4.27Å; I268-A281 HydrophobicContact CG2-CB 4.21Å; I268-L282 HydrophobicContact CD1-CB 4.44Å; I268-L282 HydrophobicContact CD1-CD1 4.49Å; I268-L282 HydrophobicContact CG1-CB 3.64Å; I268-L282 HydrophobicContact CG1-CD1 4.09Å; I268-L282 HydrophobicContact CG1-CG 4.46Å; I268-A285 HydrophobicContact CD1-CB 4.36Å; I268-L307 CarbonylContact C-O 3.6Å; I268-L307 VanDerWaalsContact CA-O 3.27Å; I268-L307 WeakPolarHBondContact CA-O 3.35Å; I268-L307 HydrophobicContact CD1-CB 3.66Å; I268-L307 HydrophobicContact CD1-CD1 3.87Å; I268-L307 HydrophobicContact CD1-CD2 3.86Å; I268-L307 HydrophobicContact CD1-CG 3.98Å; I268-L331 HydrophobicContact CG2-CD1 4.48Å; I268-L331 HydrophobicContact CG2-CD2 3.84Å; I268-L331 HydrophobicContact CG2-CG 4.13Å
269	Y	98.9	Very high	98.1	Very high	28 Å²	28	42.6 Å²	42.6	11%	0.11	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.5	-178.9	-71.9	-98.9	0	0	0	111.6	I213 L215 F253 K254 S255 D306 L307 I308 A309	I213-Y269 HydrophobicContact CD1-CD1 4.14Å; I213-Y269 HydrophobicContact CD1-CE1 3.84Å; L215-Y269 HydrophobicContact CD1-CD1 3.81Å; L215-Y269 HydrophobicContact CD1-CD2 4.06Å; L215-Y269 HydrophobicContact CD1-CE1 3.89Å; L215-Y269 HydrophobicContact CD1-CE2 4.13Å; L215-Y269 HydrophobicContact CD1-CG 3.91Å; L215-Y269 HydrophobicContact CD2-CE1 3.93Å; L215-Y269 HydrophobicContact CD2-CE2 4.31Å; L215-Y269 HydrophobicContact CG-CE1 4.49Å; F253-Y269 HydrophobicContact CB-CD1 4.39Å; K254-Y269 WeakPolarHBondContact O-CA 3.37Å; S255-Y269 VanDerWaalsContact CB-CE1 3.49Å; Y269-D306 HydrophobicContact CD2-CB 4.2Å; Y269-D306 HydrophobicContact CE2-CB 4.01Å; Y269-L307 PolarHBondContact N-O 3.33Å; Y269-I308 WeakPolarHBondContact O-CA 3.43Å; Y269-A309 PolarHBondContact O-N 2.97Å
270	A	98.8	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	165	173.9	0	0	0	0	0	111.3	F253 K254 T278 A309 L332	F253-A270 WeakPolarHBondContact CA-O 3.38Å; F253-A270 VanDerWaalsContact CB-O 3.26Å; F253-A270 WeakPolarHBondContact CB-O 3.32Å; F253-A270 VanDerWaalsContact CG-C 3.45Å; F253-A270 WeakPolarHBondContact CG-O 3.33Å; K254-A270 PolarHBondContact N-O 2.88Å; K254-A270 PolarHBondContact O-N 2.95Å; A270-T278 HydrophobicContact CB-CG2 3.69Å; A270-A309 HydrophobicContact CB-CB 4.42Å; A270-L332 HydrophobicContact CB-CD2 3.94Å
271	A	98.1	Very high	98.1	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.025	20%	0.203	C	C	.	.			trans	-51.8	141.4	169.8	0	0	0	0	0	110.7	Y166 F253 E273 K274 W275	Y166-A271 HydrophobicContact CD1-CB 4.42Å; Y166-A271 HydrophobicContact CD2-CB 3.96Å; Y166-A271 HydrophobicContact CE1-CB 4.36Å; Y166-A271 HydrophobicContact CE2-CB 3.92Å; Y166-A271 HydrophobicContact CG-CB 4.21Å; F253-A271 HydrophobicContact CD1-CB 4.4Å; F253-A271 HydrophobicContact CE1-CB 4.04Å; F253-A271 HydrophobicContact CZ-CB 4.48Å; A271-E273 VanDerWaalsContact C-N 3.3Å; A271-E273 PolarHBondContact O-N 2.84Å; A271-E273 VanDerWaalsContact O-N 3.09Å; A271-K274 WeakPolarHBondContact O-CA 3.25Å; A271-K274 PolarHBondContact O-N 3.07Å; A271-W275 PolarHBondContact O-N 3.28Å
272	P	97.6	Very high	98.2	Very high	39 Å²	39	33 Å²	33	25%	0.253	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-52.1	-38.7	-169.3	-31.7	36.5	0	0	0	116	Y166 K254 K274 W275	Y166-P272 WeakPolarHBondContact OH-CD 3.26Å; K254-P272 HydrophobicContact CD-CB 4.06Å; K254-P272 HydrophobicContact CG-CB 4.28Å; K254-P272 HydrophobicContact CG-CG 4.34Å; P272-K274 VanDerWaalsContact C-N 3.3Å; P272-K274 PolarHBondContact O-N 3.02Å; P272-W275 WeakPolarHBondContact O-CB 3.33Å
273	E	96.9	Very high	98.3	Very high	69 Å²	69	36.1 Å²	36.1	32%	0.322	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-76.2	-16.8	-179.8	-63.8	-177.8	167.8	0	0	113.4	S169 A271 L798	S169-E273 WeakPolarHBondContact CB-OE1 3.44Å; S169-E273 VanDerWaalsContact N-CD 3.32Å; S169-E273 PolarHBondContact N-OE1 3.35Å; S169-E273 PolarHBondContact N-OE2 2.88Å; S169-E273 PolarHBondContact OG-OE1 2.63Å; A271-E273 VanDerWaalsContact C-N 3.3Å; A271-E273 PolarHBondContact O-N 2.84Å; A271-E273 VanDerWaalsContact O-N 3.09Å; E273-L798 HydrophobicContact CB-CD1 4.26Å; E273-L798 HydrophobicContact CB-CD2 4.45Å
274	K	97.4	Very high	98.3	Very high	16 Å²	16	33.8 Å²	33.8	7%	0.07	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-101	-1.8	177.9	-62.6	-172.9	178.7	-172.6	0	113	A271 P272 M276 Q277 E328 L332 L798 E800	A271-K274 WeakPolarHBondContact O-CA 3.25Å; A271-K274 PolarHBondContact O-N 3.07Å; P272-K274 VanDerWaalsContact C-N 3.3Å; P272-K274 PolarHBondContact O-N 3.02Å; K274-M276 PolarHBondContact O-N 2.86Å; K274-M276 VanDerWaalsContact O-N 3.1Å; K274-Q277 WeakPolarHBondContact O-CB 3.16Å; K274-Q277 PolarHBondContact O-N 3.46Å; K274-E328 VanDerWaalsContact CD-OE1 3.24Å; K274-E328 WeakPolarHBondContact CD-OE1 3.29Å; K274-E328 WeakPolarHBondContact CE-OE1 3.4Å; K274-E328 IonicContact NZ-OE1 3.63Å; K274-E328 PolarHBondContact NZ-OE1 3.22Å; K274-E328 IonicContact NZ-OE2 2.69Å; K274-E328 PolarHBondContact NZ-OE2 2.68Å; K274-L332 HydrophobicContact CB-CD1 3.98Å; K274-L332 HydrophobicContact CD-CD1 3.89Å; K274-L798 VanDerWaalsContact CE-O 3.29Å; K274-L798 WeakPolarHBondContact CE-O 3.42Å; K274-E800 IonicContact NZ-OE1 3.54Å; K274-E800 PolarHBondContact NZ-OE1 3.15Å
275	W	96	Very high	98.3	Very high	71 Å²	71	33.5 Å²	33.5	27%	0.269	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-51.7	-37.5	-176.7	178.6	85.1	0	0	0	113.6	K254 S255 V256 A271 P272 Q277 T278 H279	K254-W275 HydrophobicContact CB-CB 4.37Å; K254-W275 VanDerWaalsContact CB-CD1 3.42Å; K254-W275 HydrophobicContact CB-CG 4.06Å; S255-W275 PolarHBondContact O-NE1 3.24Å; V256-W275 HydrophobicContact CB-CZ2 3.87Å; V256-W275 HydrophobicContact CG2-CZ2 4.14Å; A271-W275 PolarHBondContact O-N 3.28Å; P272-W275 WeakPolarHBondContact O-CB 3.33Å; W275-Q277 PolarHBondContact O-N 2.84Å; W275-Q277 VanDerWaalsContact O-N 3.15Å; W275-T278 WeakPolarHBondContact O-CB 3.38Å; W275-T278 VanDerWaalsContact O-CG2 3.3Å; W275-T278 WeakPolarHBondContact O-CG2 3.4Å; W275-T278 PolarHBondContact O-N 2.84Å; W275-T278 VanDerWaalsContact O-N 3.16Å; W275-T278 PolarHBondContact O-OG1 3.26Å; W275-H279 AromaticContact CH2-CE1 3.63Å; W275-H279 AromaticContact CH2-NE2 3.71Å; W275-H279 AromaticContact CZ3-CE1 3.58Å
276	M	96.8	Very high	98.3	Very high	135 Å²	135	30.1 Å²	30.1	67%	0.665	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-60	-27.2	179.2	-71.1	-62.2	-62.8	0	0	113.5	K274 T278 H279	K274-M276 PolarHBondContact O-N 2.86Å; K274-M276 VanDerWaalsContact O-N 3.1Å; M276-T278 PolarHBondContact O-N 3.37Å; M276-H279 PolarHBondContact O-ND1 2.86Å
277	Q	98.4	Very high	98.3	Very high	22 Å²	22	34.5 Å²	34.5	10%	0.103	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-77.9	-0.7	-177.6	-54.5	176.9	32.7	0	0	113.2	K274 W275 L332 Y333 D334 L798	K274-Q277 WeakPolarHBondContact O-CB 3.16Å; K274-Q277 PolarHBondContact O-N 3.46Å; W275-Q277 PolarHBondContact O-N 2.84Å; W275-Q277 VanDerWaalsContact O-N 3.15Å; Q277-L332 HydrophobicContact CB-CB 3.9Å; Q277-L332 HydrophobicContact CB-CD2 4.31Å; Q277-Y333 WeakPolarHBondContact CA-O 3.39Å; Q277-Y333 PolarHBondContact O-N 3.33Å; Q277-D334 HydrophobicContact CG-CB 4.23Å; Q277-L798 PolarHBondContact NE2-O 3.35Å
278	T	98.6	Very high	98.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-86.8	-16.9	-175.2	61.6	0	0	0	0	114.5	V256 I268 A270 W275 M276 Y280 A281 L282 L332	V256-T278 WeakPolarHBondContact CG1-OG1 3.21Å; I268-T278 HydrophobicContact CB-CG2 4.33Å; I268-T278 HydrophobicContact CG2-CG2 3.75Å; A270-T278 HydrophobicContact CB-CG2 3.69Å; W275-T278 WeakPolarHBondContact O-CB 3.38Å; W275-T278 VanDerWaalsContact O-CG2 3.3Å; W275-T278 WeakPolarHBondContact O-CG2 3.4Å; W275-T278 PolarHBondContact O-N 2.84Å; W275-T278 VanDerWaalsContact O-N 3.16Å; W275-T278 PolarHBondContact O-OG1 3.26Å; M276-T278 PolarHBondContact O-N 3.37Å; T278-Y280 PolarHBondContact O-N 2.9Å; T278-A281 PolarHBondContact O-N 2.66Å; T278-L282 PolarHBondContact O-N 3.42Å; T278-L282 VanDerWaalsContact O-N 3.08Å; T278-L332 HydrophobicContact CG2-CD2 3.84Å
279	H	98.5	Very high	98.3	Very high	81 Å²	81	34.5 Å²	34.5	38%	0.375	16%	0.162	S	C	.	.	H	α-helix	trans	-63	-39.9	-169.8	-69.2	84.6	0	0	0	113.3	W275 M276 L282 E283	W275-H279 AromaticContact CH2-CE1 3.63Å; W275-H279 AromaticContact CH2-NE2 3.71Å; W275-H279 AromaticContact CZ3-CE1 3.58Å; M276-H279 PolarHBondContact O-ND1 2.86Å; H279-L282 PolarHBondContact O-N 2.87Å; H279-E283 PolarHBondContact O-N 2.86Å; H279-E283 VanDerWaalsContact O-N 3.16Å
280	Y	98.6	Very high	98.3	Very high	17 Å²	17	35 Å²	35	7%	0.067	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-43.8	177.6	180	-116	0	0	0	111.6	T278 L282 E283 V284 Y333 K343 V346 T347	T278-Y280 PolarHBondContact O-N 2.9Å; Y280-L282 VanDerWaalsContact C-N 3.29Å; Y280-L282 PolarHBondContact O-N 2.91Å; Y280-E283 WeakPolarHBondContact O-CB 3.28Å; Y280-E283 PolarHBondContact O-N 2.79Å; Y280-V284 HydrophobicContact CD1-CG2 4.29Å; Y280-V284 HydrophobicContact CD2-CG2 4.21Å; Y280-V284 HydrophobicContact CE1-CG2 3.8Å; Y280-V284 HydrophobicContact CE2-CG2 3.7Å; Y280-V284 HydrophobicContact CG-CG2 4.48Å; Y280-V284 VanDerWaalsContact CZ-CG2 3.48Å; Y280-V284 WeakPolarHBondContact O-CG2 2.88Å; Y280-V284 PolarHBondContact O-N 3.4Å; Y280-Y333 HydrophobicContact CD1-CD1 4.16Å; Y280-Y333 HydrophobicContact CD1-CD2 4.46Å; Y280-Y333 AromaticContact CD1-CG 3.89Å; Y280-Y333 HydrophobicContact CD1-CG 3.89Å; Y280-Y333 HydrophobicContact CG-CD1 4Å; Y280-Y333 HydrophobicContact CG-CG 4.19Å; Y280-K343 HydrophobicContact CD1-CG 4.46Å; Y280-K343 HydrophobicContact CE1-CG 3.64Å; Y280-K343 HydrophobicContact CE2-CD 4.37Å; Y280-K343 HydrophobicContact CE2-CG 4.3Å; Y280-K343 VanDerWaalsContact OH-CE 3.24Å; Y280-K343 WeakPolarHBondContact OH-CE 3.49Å; Y280-K343 WeakPolarHBondContact OH-CG 3.29Å; Y280-V346 HydrophobicContact CD1-CG1 4.1Å; Y280-V346 HydrophobicContact CE1-CB 4.48Å; Y280-V346 HydrophobicContact CE1-CG1 4.19Å; Y280-T347 PolarHBondContact OH-OG1 3.11Å
281	A	98.8	Very high	98.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-36.7	176.6	0	0	0	0	0	112.6	I268 T278 V284 A285 L331 I350	I268-A281 HydrophobicContact CD1-CB 4.21Å; I268-A281 HydrophobicContact CG1-CB 4.27Å; I268-A281 HydrophobicContact CG2-CB 4.21Å; T278-A281 PolarHBondContact O-N 2.66Å; A281-V284 PolarHBondContact O-N 2.92Å; A281-A285 WeakPolarHBondContact O-CB 2.97Å; A281-A285 PolarHBondContact O-N 3.17Å; A281-L331 HydrophobicContact CB-CD1 3.58Å; A281-L331 HydrophobicContact CB-CG 4.06Å; A281-L331 WeakPolarHBondContact CB-O 3.26Å; A281-I350 HydrophobicContact CB-CD1 3.69Å
282	L	98.9	Very high	98.3	Very high	18 Å²	18	36.2 Å²	36.2	9%	0.094	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-45.6	176.4	-178.6	62.5	0	0	0	111.4	V256 A258 V266 I268 T278 H279 Y280 A285 V286	V256-L282 HydrophobicContact CB-CD2 4.29Å; V256-L282 HydrophobicContact CG1-CB 4.22Å; V256-L282 HydrophobicContact CG1-CD2 3.89Å; V256-L282 HydrophobicContact CG2-CD2 3.69Å; A258-L282 HydrophobicContact CB-CD1 4.04Å; A258-L282 HydrophobicContact CB-CD2 3.96Å; A258-L282 HydrophobicContact CB-CG 4.13Å; V266-L282 HydrophobicContact CB-CD1 4.19Å; V266-L282 HydrophobicContact CG1-CD1 3.93Å; I268-L282 HydrophobicContact CD1-CB 4.44Å; I268-L282 HydrophobicContact CD1-CD1 4.49Å; I268-L282 HydrophobicContact CG1-CB 3.64Å; I268-L282 HydrophobicContact CG1-CD1 4.09Å; I268-L282 HydrophobicContact CG1-CG 4.46Å; T278-L282 PolarHBondContact O-N 3.42Å; T278-L282 VanDerWaalsContact O-N 3.08Å; H279-L282 PolarHBondContact O-N 2.87Å; Y280-L282 VanDerWaalsContact C-N 3.29Å; Y280-L282 PolarHBondContact O-N 2.91Å; L282-A285 PolarHBondContact O-N 2.9Å; L282-V286 HydrophobicContact CD1-CG2 4.11Å; L282-V286 WeakPolarHBondContact O-CG2 3.34Å; L282-V286 PolarHBondContact O-N 3.47Å; L282-V286 VanDerWaalsContact O-N 3.09Å
283	E	98.7	Very high	98.4	Very high	108 Å²	108	35.2 Å²	35.2	51%	0.505	16%	0.164	S	C	.	.	H	α-helix	trans	-58.2	-50.1	176.9	-172.3	-158.6	131	0	0	111.1	H279 Y280 K287 Y390	H279-E283 PolarHBondContact O-N 2.86Å; H279-E283 VanDerWaalsContact O-N 3.16Å; Y280-E283 WeakPolarHBondContact O-CB 3.28Å; Y280-E283 PolarHBondContact O-N 2.79Å; E283-K287 WeakPolarHBondContact O-CB 3.31Å; E283-K287 PolarHBondContact O-N 2.84Å; E283-Y390 PolarHBondContact OE1-OH 3.48Å
284	V	98.9	Very high	98.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-49.3	180	174.8	0	0	0	0	110.8	Y280 A281 V286 K287 M288 T347 I350 Y390	Y280-V284 HydrophobicContact CD1-CG2 4.29Å; Y280-V284 HydrophobicContact CD2-CG2 4.21Å; Y280-V284 HydrophobicContact CE1-CG2 3.8Å; Y280-V284 HydrophobicContact CE2-CG2 3.7Å; Y280-V284 HydrophobicContact CG-CG2 4.48Å; Y280-V284 VanDerWaalsContact CZ-CG2 3.48Å; Y280-V284 WeakPolarHBondContact O-CG2 2.88Å; Y280-V284 PolarHBondContact O-N 3.4Å; A281-V284 PolarHBondContact O-N 2.92Å; V284-V286 PolarHBondContact O-N 2.93Å; V284-K287 PolarHBondContact O-N 2.87Å; V284-M288 HydrophobicContact CG1-CE 3.98Å; V284-M288 HydrophobicContact CG1-CG 4.14Å; V284-M288 HydrophobicContact CG1-SD 3.44Å; V284-M288 WeakPolarHBondContact CG1-SD 3.35Å; V284-M288 VanDerWaalsContact O-CB 3.31Å; V284-M288 WeakPolarHBondContact O-CB 3.44Å; V284-M288 WeakPolarHBondContact O-CG 3.49Å; V284-M288 PolarHBondContact O-N 2.93Å; V284-T347 HydrophobicContact CG1-CG2 3.89Å; V284-T347 HydrophobicContact CG2-CG2 4.25Å; V284-I350 HydrophobicContact CB-CD1 4.04Å; V284-I350 HydrophobicContact CB-CG2 4.49Å; V284-I350 HydrophobicContact CG1-CB 3.93Å; V284-I350 HydrophobicContact CG1-CD1 3.98Å; V284-I350 HydrophobicContact CG1-CG2 3.75Å; V284-Y390 WeakPolarHBondContact CA-OH 3.24Å; V284-Y390 HydrophobicContact CB-CE2 4.35Å; V284-Y390 HydrophobicContact CG1-CE2 4.24Å; V284-Y390 HydrophobicContact CG2-CE2 3.96Å
285	A	98.9	Very high	98.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-42.5	-174.6	0	0	0	0	0	112.6	V266 I268 A281 L282 L289 L307 I350 L354	V266-A285 HydrophobicContact CG1-CB 3.84Å; I268-A285 HydrophobicContact CD1-CB 4.36Å; A281-A285 WeakPolarHBondContact O-CB 2.97Å; A281-A285 PolarHBondContact O-N 3.17Å; L282-A285 PolarHBondContact O-N 2.9Å; A285-L289 VanDerWaalsContact O-CB 3.25Å; A285-L289 WeakPolarHBondContact O-CB 3.39Å; A285-L289 PolarHBondContact O-N 3.45Å; A285-L307 HydrophobicContact CB-CD1 4.03Å; A285-L307 HydrophobicContact CB-CD2 3.82Å; A285-I350 HydrophobicContact CB-CG2 3.96Å; A285-L354 HydrophobicContact CB-CD1 4.23Å; A285-L354 WeakPolarHBondContact O-CD1 3.49Å
286	V	98.9	Very high	98.5	Very high	23 Å²	23	36.4 Å²	36.4	14%	0.139	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-51.1	175.9	170.3	0	0	0	0	110.4	A258 T260 V266 L282 V284 M288 L289 D290	A258-V286 HydrophobicContact CB-CG2 3.92Å; T260-V286 HydrophobicContact CG2-CG1 4.46Å; V266-V286 HydrophobicContact CB-CG2 3.88Å; V266-V286 HydrophobicContact CG1-CG2 4.28Å; V266-V286 HydrophobicContact CG2-CG2 4.02Å; L282-V286 HydrophobicContact CD1-CG2 4.11Å; L282-V286 WeakPolarHBondContact O-CG2 3.34Å; L282-V286 PolarHBondContact O-N 3.47Å; L282-V286 VanDerWaalsContact O-N 3.09Å; V284-V286 PolarHBondContact O-N 2.93Å; V286-M288 VanDerWaalsContact C-N 3.34Å; V286-M288 PolarHBondContact O-N 2.96Å; V286-L289 PolarHBondContact O-N 3.25Å; V286-D290 PolarHBondContact O-N 3.37Å; V286-D290 VanDerWaalsContact O-N 3.08Å
287	K	98.8	Very high	98.4	Very high	92 Å²	92	34.7 Å²	34.7	40%	0.4	17%	0.166	S	C	.	.	H	α-helix	trans	-63.1	-40.2	-177	-171	177.7	-171.5	178.8	0	112.6	E283 V284 F291 T389 Y390	E283-K287 WeakPolarHBondContact O-CB 3.31Å; E283-K287 PolarHBondContact O-N 2.84Å; V284-K287 PolarHBondContact O-N 2.87Å; K287-F291 PolarHBondContact O-N 3.21Å; K287-F291 VanDerWaalsContact O-N 3.07Å; K287-T389 VanDerWaalsContact CE-O 3.3Å; K287-T389 WeakPolarHBondContact CE-O 3.19Å; K287-T389 HydrophobicContact CG-CG2 4.15Å; K287-T389 PolarHBondContact NZ-O 2.82Å; K287-Y390 HydrophobicContact CD-CE2 3.96Å
288	M	98.6	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-74.2	-35.2	179.6	-75.7	-177.4	159.9	0	0	112.7	V284 V286 F291 Y292 T347 I350 G351 L354 V386 Y390	V284-M288 HydrophobicContact CG1-CE 3.98Å; V284-M288 HydrophobicContact CG1-CG 4.14Å; V284-M288 HydrophobicContact CG1-SD 3.44Å; V284-M288 WeakPolarHBondContact CG1-SD 3.35Å; V284-M288 VanDerWaalsContact O-CB 3.31Å; V284-M288 WeakPolarHBondContact O-CB 3.44Å; V284-M288 WeakPolarHBondContact O-CG 3.49Å; V284-M288 PolarHBondContact O-N 2.93Å; V286-M288 VanDerWaalsContact C-N 3.34Å; V286-M288 PolarHBondContact O-N 2.96Å; M288-F291 WeakPolarHBondContact O-CB 3.04Å; M288-F291 PolarHBondContact O-N 2.92Å; M288-Y292 HydrophobicContact CB-CE2 4.45Å; M288-Y292 WeakPolarHBondContact O-CD2 3.23Å; M288-Y292 PolarHBondContact O-N 2.8Å; M288-T347 HydrophobicContact CE-CG2 3.66Å; M288-T347 WeakPolarHBondContact CE-O 3.23Å; M288-I350 HydrophobicContact SD-CG2 4.16Å; M288-G351 WeakPolarHBondContact SD-CA 3.43Å; M288-G351 PolarHBondContact SD-N 3.03Å; M288-G351 VanDerWaalsContact SD-N 3.42Å; M288-L354 HydrophobicContact CB-CD1 3.79Å; M288-V386 HydrophobicContact CE-CB 4.44Å; M288-V386 HydrophobicContact CE-CG2 3.39Å; M288-Y390 HydrophobicContact CE-CD2 4.46Å
289	L	98.8	Very high	98.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-42.9	175.7	-168	59.9	0	0	0	110.8	T260 V264 V266 A285 V286 F291 Y292 E293 Y300 Q305 L354 W358	T260-L289 HydrophobicContact CG2-CB 4.18Å; T260-L289 HydrophobicContact CG2-CD2 3.84Å; T260-L289 HydrophobicContact CG2-CG 4.24Å; V264-L289 HydrophobicContact CB-CD2 4.31Å; V264-L289 HydrophobicContact CG1-CD2 3.97Å; V266-L289 HydrophobicContact CG2-CD2 4.07Å; A285-L289 VanDerWaalsContact O-CB 3.25Å; A285-L289 WeakPolarHBondContact O-CB 3.39Å; A285-L289 PolarHBondContact O-N 3.45Å; V286-L289 PolarHBondContact O-N 3.25Å; L289-F291 VanDerWaalsContact C-N 3.34Å; L289-F291 PolarHBondContact O-N 2.85Å; L289-Y292 PolarHBondContact O-N 2.92Å; L289-E293 WeakPolarHBondContact O-CG 3.41Å; L289-E293 PolarHBondContact O-N 2.61Å; L289-E293 VanDerWaalsContact O-N 3.08Å; L289-Y300 HydrophobicContact CD1-CD2 4.09Å; L289-Y300 HydrophobicContact CD1-CG 4.12Å; L289-Y300 HydrophobicContact CD2-CD1 4.45Å; L289-Y300 HydrophobicContact CD2-CG 4.45Å; L289-Q305 HydrophobicContact CD2-CB 4.28Å; L289-L354 HydrophobicContact CB-CD1 4.33Å; L289-L354 HydrophobicContact CD1-CD2 4.44Å; L289-W358 HydrophobicContact CD1-CH2 3.72Å; L289-W358 HydrophobicContact CD1-CZ3 3.94Å
290	D	98.8	Very high	98.2	Very high	39 Å²	39	40.6 Å²	40.6	21%	0.209	19%	0.185	C	C	.	.	H	α-helix	trans	-57.4	-46.1	171.4	-78.2	-37.5	0	0	0	111.5	T260 S261 V286 Y292 E293 E294	T260-D290 WeakPolarHBondContact CB-OD1 3.5Å; S261-D290 VanDerWaalsContact CB-OD1 3.28Å; S261-D290 WeakPolarHBondContact CB-OD1 3.44Å; S261-D290 PolarHBondContact N-OD1 3.16Å; S261-D290 PolarHBondContact N-OD2 3.08Å; S261-D290 PolarHBondContact OG-OD1 3.32Å; V286-D290 PolarHBondContact O-N 3.37Å; V286-D290 VanDerWaalsContact O-N 3.08Å; D290-Y292 PolarHBondContact O-N 2.91Å; D290-E293 PolarHBondContact O-N 3.16Å; D290-E294 PolarHBondContact O-N 2.89Å; D290-E294 VanDerWaalsContact O-N 3.14Å
291	F	98.8	Very high	98.1	Very high	29 Å²	29	42 Å²	42	13%	0.127	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-46.4	176.8	168.5	-95	0	0	0	112.5	K287 M288 L289 E294 Y295 M381 I384 S385 A388 T389	K287-F291 PolarHBondContact O-N 3.21Å; K287-F291 VanDerWaalsContact O-N 3.07Å; M288-F291 WeakPolarHBondContact O-CB 3.04Å; M288-F291 PolarHBondContact O-N 2.92Å; L289-F291 VanDerWaalsContact C-N 3.34Å; L289-F291 PolarHBondContact O-N 2.85Å; F291-E294 PolarHBondContact O-N 3.1Å; F291-Y295 HydrophobicContact CE1-CG 4.17Å; F291-Y295 HydrophobicContact CE2-CD2 4.17Å; F291-Y295 HydrophobicContact CE2-CG 4.39Å; F291-Y295 AromaticContact CZ-CD2 3.74Å; F291-Y295 HydrophobicContact CZ-CD2 3.74Å; F291-Y295 HydrophobicContact CZ-CE2 4.46Å; F291-Y295 AromaticContact CZ-CG 3.77Å; F291-Y295 HydrophobicContact CZ-CG 3.77Å; F291-Y295 WeakPolarHBondContact O-CB 3.44Å; F291-Y295 PolarHBondContact O-N 3.03Å; F291-M381 HydrophobicContact CE1-CE 4.27Å; F291-I384 HydrophobicContact CZ-CG2 4.03Å; F291-S385 VanDerWaalsContact CE1-CA 3.48Å; F291-A388 HydrophobicContact CD2-CB 3.82Å; F291-A388 HydrophobicContact CE2-CB 3.34Å; F291-A388 HydrophobicContact CZ-CB 3.96Å; F291-T389 HydrophobicContact CB-CG2 3.7Å; F291-T389 HydrophobicContact CD2-CG2 4.2Å; F291-T389 HydrophobicContact CG-CG2 3.93Å
292	Y	98.9	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.7	-36.7	-178.1	-73.3	-51.4	0	0	0	112.8	M288 L289 D290 E294 F296 G351 L354 A355 W358 M381 S385	M288-Y292 HydrophobicContact CB-CE2 4.45Å; M288-Y292 WeakPolarHBondContact O-CD2 3.23Å; M288-Y292 PolarHBondContact O-N 2.8Å; L289-Y292 PolarHBondContact O-N 2.92Å; D290-Y292 PolarHBondContact O-N 2.91Å; Y292-E294 VanDerWaalsContact C-N 3.31Å; Y292-E294 PolarHBondContact O-N 3.15Å; Y292-F296 HydrophobicContact CD1-CD2 4.22Å; Y292-F296 AromaticContact CD1-CE2 3.38Å; Y292-F296 HydrophobicContact CD1-CE2 3.38Å; Y292-F296 AromaticContact CD1-CZ 3.78Å; Y292-F296 HydrophobicContact CD1-CZ 3.78Å; Y292-F296 HydrophobicContact CE1-CE2 4.19Å; Y292-F296 HydrophobicContact CE1-CZ 4.22Å; Y292-F296 AromaticContact CG-CE2 3.92Å; Y292-F296 HydrophobicContact CG-CE2 3.92Å; Y292-F296 WeakPolarHBondContact O-CB 2.91Å; Y292-F296 WeakPolarHBondContact O-CD2 3.48Å; Y292-F296 WeakPolarHBondContact O-CG 3.27Å; Y292-F296 PolarHBondContact O-N 2.74Å; Y292-G351 WeakPolarHBondContact CE2-O 3.38Å; Y292-G351 PolarHBondContact OH-O 3.35Å; Y292-L354 HydrophobicContact CD2-CB 3.86Å; Y292-L354 HydrophobicContact CE2-CB 3.67Å; Y292-A355 HydrophobicContact CE1-CB 4.21Å; Y292-A355 HydrophobicContact CE2-CB 4.3Å; Y292-W358 VanDerWaalsContact CB-CZ3 3.47Å; Y292-W358 HydrophobicContact CD2-CZ3 4.33Å; Y292-W358 HydrophobicContact CG-CZ3 4.17Å; Y292-M381 HydrophobicContact CD1-CE 4.14Å; Y292-M381 HydrophobicContact CE1-CB 4.07Å; Y292-M381 HydrophobicContact CE1-CE 3.64Å; Y292-M381 PolarHBondContact OH-O 2.81Å; Y292-S385 VanDerWaalsContact OH-CB 3.28Å; Y292-S385 WeakPolarHBondContact OH-CB 2.98Å; Y292-S385 PolarHBondContact OH-OG 2.81Å
293	E	98.5	Very high	98.1	Very high	17 Å²	17	44.8 Å²	44.8	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-41.4	173.9	-71.2	-167.8	114.1	0	0	112	S262 L289 D290 N297 I298 R299 Y300 W358	S262-E293 WeakPolarHBondContact CB-OE2 3.44Å; S262-E293 PolarHBondContact OG-OE1 3.27Å; S262-E293 PolarHBondContact OG-OE2 3.24Å; L289-E293 WeakPolarHBondContact O-CG 3.41Å; L289-E293 PolarHBondContact O-N 2.61Å; L289-E293 VanDerWaalsContact O-N 3.08Å; D290-E293 PolarHBondContact O-N 3.16Å; E293-N297 VanDerWaalsContact O-CA 3.29Å; E293-N297 WeakPolarHBondContact O-CA 3.26Å; E293-N297 PolarHBondContact O-N 2.94Å; E293-I298 PolarHBondContact O-N 2.91Å; E293-R299 WeakPolarHBondContact OE1-CA 3.41Å; E293-R299 VanDerWaalsContact OE1-CB 3.31Å; E293-R299 WeakPolarHBondContact OE1-CB 3.3Å; E293-Y300 PolarHBondContact OE1-N 3.06Å; E293-W358 HydrophobicContact CG-CH2 4.06Å; E293-W358 HydrophobicContact CG-CZ2 3.93Å
294	E	97.9	Very high	98.1	Very high	163 Å²	163	40.3 Å²	40.3	76%	0.762	19%	0.194	S	C	*	.	H	α-helix	trans	-68.7	-52.9	175.9	-175.7	178	176	0	0	111.4	D290 F291 Y292 F296 N297	D290-E294 PolarHBondContact O-N 2.89Å; D290-E294 VanDerWaalsContact O-N 3.14Å; F291-E294 PolarHBondContact O-N 3.1Å; Y292-E294 VanDerWaalsContact C-N 3.31Å; Y292-E294 PolarHBondContact O-N 3.15Å; E294-F296 VanDerWaalsContact C-N 3.34Å; E294-F296 PolarHBondContact O-N 3.33Å; E294-N297 PolarHBondContact O-N 2.79Å; E294-N297 VanDerWaalsContact O-N 3.13Å
295	Y	97.9	Very high	98.1	Very high	19 Å²	19	40.3 Å²	40.3	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-37.2	-174.7	-174.4	-96.8	0	0	0	112.4	F291 M381 I384 Q457 I460	F291-Y295 HydrophobicContact CE1-CG 4.17Å; F291-Y295 HydrophobicContact CE2-CD2 4.17Å; F291-Y295 HydrophobicContact CE2-CG 4.39Å; F291-Y295 AromaticContact CZ-CD2 3.74Å; F291-Y295 HydrophobicContact CZ-CD2 3.74Å; F291-Y295 HydrophobicContact CZ-CE2 4.46Å; F291-Y295 AromaticContact CZ-CG 3.77Å; F291-Y295 HydrophobicContact CZ-CG 3.77Å; F291-Y295 WeakPolarHBondContact O-CB 3.44Å; F291-Y295 PolarHBondContact O-N 3.03Å; Y295-M381 HydrophobicContact CD1-CE 3.67Å; Y295-M381 HydrophobicContact CE1-CE 3.5Å; Y295-M381 HydrophobicContact CE1-SD 3.99Å; Y295-I384 HydrophobicContact CE1-CG2 4.48Å; Y295-I384 HydrophobicContact CE2-CG2 4.1Å; Y295-Q457 VanDerWaalsContact CD2-NE2 3.34Å; Y295-Q457 HydrophobicContact CE1-CG 4.19Å; Y295-Q457 HydrophobicContact CE2-CG 4.07Å; Y295-Q457 PolarHBondContact O-NE2 3.4Å; Y295-I460 HydrophobicContact CE1-CD1 3.76Å
296	F	96.7	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-90.3	-10.4	176.1	-58.1	-46.8	0	0	0	113.7	Y292 E294 I298 W358 F359 M381 I460 V461 L464	Y292-F296 HydrophobicContact CD1-CD2 4.22Å; Y292-F296 AromaticContact CD1-CE2 3.38Å; Y292-F296 HydrophobicContact CD1-CE2 3.38Å; Y292-F296 AromaticContact CD1-CZ 3.78Å; Y292-F296 HydrophobicContact CD1-CZ 3.78Å; Y292-F296 HydrophobicContact CE1-CE2 4.19Å; Y292-F296 HydrophobicContact CE1-CZ 4.22Å; Y292-F296 AromaticContact CG-CE2 3.92Å; Y292-F296 HydrophobicContact CG-CE2 3.92Å; Y292-F296 WeakPolarHBondContact O-CB 2.91Å; Y292-F296 WeakPolarHBondContact O-CD2 3.48Å; Y292-F296 WeakPolarHBondContact O-CG 3.27Å; Y292-F296 PolarHBondContact O-N 2.74Å; E294-F296 VanDerWaalsContact C-N 3.34Å; E294-F296 PolarHBondContact O-N 3.33Å; F296-I298 HydrophobicContact CB-CB 4.39Å; F296-I298 WeakPolarHBondContact O-CG1 3.3Å; F296-I298 PolarHBondContact O-N 3.41Å; F296-I298 VanDerWaalsContact O-N 3.17Å; F296-W358 HydrophobicContact CD2-CB 4.13Å; F296-W358 AromaticContact CD2-CD1 3.78Å; F296-W358 AromaticContact CD2-CD2 3.59Å; F296-W358 HydrophobicContact CD2-CD2 3.59Å; F296-W358 AromaticContact CD2-CE2 3.85Å; F296-W358 HydrophobicContact CD2-CE3 4.1Å; F296-W358 AromaticContact CD2-CG 3.57Å; F296-W358 HydrophobicContact CD2-CG 3.57Å; F296-W358 AromaticContact CD2-NE1 3.92Å; F296-W358 HydrophobicContact CE2-CB 4.1Å; F296-W358 AromaticContact CE2-CD2 3.94Å; F296-W358 HydrophobicContact CE2-CD2 3.94Å; F296-W358 HydrophobicContact CE2-CE3 4.08Å; F296-W358 AromaticContact CE2-CG 3.95Å; F296-W358 HydrophobicContact CE2-CG 3.95Å; F296-W358 HydrophobicContact CG-CG 4.38Å; F296-F359 HydrophobicContact CD1-CE2 4.49Å; F296-F359 AromaticContact CE1-CE2 3.6Å; F296-F359 HydrophobicContact CE1-CE2 3.6Å; F296-F359 HydrophobicContact CE1-CZ 4.25Å; F296-F359 HydrophobicContact CE2-CE2 4.36Å; F296-F359 HydrophobicContact CZ-CD2 4.12Å; F296-F359 AromaticContact CZ-CE2 3.52Å; F296-F359 HydrophobicContact CZ-CE2 3.52Å; F296-M381 HydrophobicContact CE1-CE 3.96Å; F296-M381 HydrophobicContact CE1-SD 4.1Å; F296-M381 HydrophobicContact CZ-CE 3.69Å; F296-M381 HydrophobicContact CZ-CG 4.08Å; F296-M381 HydrophobicContact CZ-SD 4.04Å; F296-I460 HydrophobicContact CD1-CD1 4.22Å; F296-I460 HydrophobicContact CE1-CD1 3.92Å; F296-V461 WeakPolarHBondContact O-CG1 3.39Å; F296-V461 VanDerWaalsContact O-CG2 3.23Å; F296-V461 WeakPolarHBondContact O-CG2 3.46Å; F296-L464 HydrophobicContact CB-CD1 4.18Å; F296-L464 HydrophobicContact CD1-CD1 3.8Å; F296-L464 HydrophobicContact CD2-CD1 4.41Å; F296-L464 HydrophobicContact CE1-CD1 4.3Å; F296-L464 HydrophobicContact CG-CD1 3.88Å
297	N	94.7	Very high	98.1	Very high	99 Å²	99	39.6 Å²	39.6	53%	0.529	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	41.9	-172.7	-169.6	13.1	0	0	0	112	E293 E294 R465	E293-N297 VanDerWaalsContact O-CA 3.29Å; E293-N297 WeakPolarHBondContact O-CA 3.26Å; E293-N297 PolarHBondContact O-N 2.94Å; E294-N297 PolarHBondContact O-N 2.79Å; E294-N297 VanDerWaalsContact O-N 3.13Å; N297-R465 PolarHBondContact ND2-NH2 3.28Å; N297-R465 PolarHBondContact O-NH2 3.48Å
298	I	95.1	Very high	98.1	Very high	25 Å²	25	35.2 Å²	35.2	13%	0.128	17%	0.17	C	C	.	.			trans	-143.7	119	179.7	-64.7	165.9	0	0	0	105.8	E293 F296 W358 L362 L464 R465	E293-I298 PolarHBondContact O-N 2.91Å; F296-I298 HydrophobicContact CB-CB 4.39Å; F296-I298 WeakPolarHBondContact O-CG1 3.3Å; F296-I298 PolarHBondContact O-N 3.41Å; F296-I298 VanDerWaalsContact O-N 3.17Å; I298-W358 VanDerWaalsContact O-CZ2 3.31Å; I298-W358 WeakPolarHBondContact O-CZ2 3.26Å; I298-W358 PolarHBondContact O-NE1 2.91Å; I298-L362 HydrophobicContact CG2-CD2 3.94Å; I298-L464 HydrophobicContact CD1-CB 3.43Å; I298-L464 VanDerWaalsContact CD1-CB 3.43Å; I298-L464 HydrophobicContact CD1-CD1 4.24Å; I298-L464 HydrophobicContact CD1-CG 4.49Å; I298-R465 HydrophobicContact CD1-CG 3.77Å; I298-R465 HydrophobicContact CG1-CG 3.96Å
299	R	97.6	Very high	98.2	Very high	192 Å²	192	35.2 Å²	35.2	73%	0.725	17%	0.17	S	C	*	.			trans	-67.4	149.9	178.8	-69.1	-170.8	-177.4	-179.3	-0.4	112.1	E293	E293-R299 WeakPolarHBondContact OE1-CA 3.41Å; E293-R299 VanDerWaalsContact OE1-CB 3.31Å; E293-R299 WeakPolarHBondContact OE1-CB 3.3Å
300	Y	98.8	Very high	98.1	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.035	17%	0.17	C	C	.	.			trans	-65.7	123.8	166	179.4	-103.1	0	0	0	108.9	V264 L289 E293 L302 K304 Q305 W321 G322 Q357 W358	V264-Y300 HydrophobicContact CB-CD1 4.47Å; V264-Y300 HydrophobicContact CG1-CD1 3.76Å; V264-Y300 HydrophobicContact CG1-CE1 3.9Å; V264-Y300 HydrophobicContact CG2-CD1 3.86Å; L289-Y300 HydrophobicContact CD1-CD2 4.09Å; L289-Y300 HydrophobicContact CD1-CG 4.12Å; L289-Y300 HydrophobicContact CD2-CD1 4.45Å; L289-Y300 HydrophobicContact CD2-CG 4.45Å; E293-Y300 PolarHBondContact OE1-N 3.06Å; Y300-L302 HydrophobicContact CD1-CB 4.32Å; Y300-L302 WeakPolarHBondContact CD1-O 3.47Å; Y300-L302 HydrophobicContact CE1-CB 3.49Å; Y300-L302 VanDerWaalsContact CE1-CB 3.49Å; Y300-L302 HydrophobicContact CE1-CG 4.15Å; Y300-L302 VanDerWaalsContact CE1-O 3.23Å; Y300-L302 WeakPolarHBondContact CE1-O 3.33Å; Y300-L302 PolarHBondContact O-N 2.76Å; Y300-K304 WeakPolarHBondContact CE1-O 3.39Å; Y300-K304 PolarHBondContact OH-O 3.33Å; Y300-Q305 HydrophobicContact CE1-CB 4.23Å; Y300-Q305 PolarHBondContact OH-OE1 2.87Å; Y300-W321 AromaticContact CE2-CD1 3.98Å; Y300-W321 AromaticContact CE2-NE1 3.74Å; Y300-G322 WeakPolarHBondContact OH-CA 3.16Å; Y300-G322 PolarHBondContact OH-N 3.46Å; Y300-Q357 HydrophobicContact CD2-CB 4.03Å; Y300-Q357 HydrophobicContact CD2-CG 4.37Å; Y300-Q357 HydrophobicContact CE2-CB 3.91Å; Y300-Q357 HydrophobicContact CE2-CG 3.91Å; Y300-W358 HydrophobicContact CD2-CH2 4.46Å
301	P	98.2	Very high	98	Very high	46 Å²	46	33.3 Å²	33.3	30%	0.299	16%	0.16	S	C	.	.			trans	-83.7	-11.8	-165.4	30.4	-34.8	0	0	0	114.6	W321 Y469	P301-W321 HydrophobicContact CG-CZ2 3.55Å; P301-Y469 VanDerWaalsContact CB-OH 3.3Å; P301-Y469 WeakPolarHBondContact CB-OH 3.48Å
302	L	98.8	Very high	97.9	Very high	6 Å²	6	33 Å²	33	3%	0.031	16%	0.16	C	C	.	.	S	Bend	trans	-98.4	150.1	-175.7	-44.6	-172.1	0	0	0	110.9	M218 V239 Y300 K304 W321	M218-L302 HydrophobicContact CE-CD2 4.25Å; M218-L302 HydrophobicContact SD-CD1 3.98Å; M218-L302 HydrophobicContact SD-CD2 3.84Å; M218-L302 HydrophobicContact SD-CG 4.36Å; V239-L302 HydrophobicContact CG1-CD2 3.9Å; V239-L302 HydrophobicContact CG2-CD2 4.01Å; Y300-L302 HydrophobicContact CD1-CB 4.32Å; Y300-L302 WeakPolarHBondContact CD1-O 3.47Å; Y300-L302 HydrophobicContact CE1-CB 3.49Å; Y300-L302 VanDerWaalsContact CE1-CB 3.49Å; Y300-L302 HydrophobicContact CE1-CG 4.15Å; Y300-L302 VanDerWaalsContact CE1-O 3.23Å; Y300-L302 WeakPolarHBondContact CE1-O 3.33Å; Y300-L302 PolarHBondContact O-N 2.76Å; L302-K304 PolarHBondContact O-N 3.15Å; L302-W321 HydrophobicContact CD1-CB 4.41Å; L302-W321 HydrophobicContact CD1-CD2 4.44Å; L302-W321 HydrophobicContact CD1-CG 3.82Å
303	P	98.5	Very high	97.7	Very high	72 Å²	72	33 Å²	33	47%	0.468	16%	0.16	S	C	.	.	S	Bend	trans	-72.4	-11.4	-177.8	29.4	-36.7	0	0	0	113.8	P219 K265	P219-P303 HydrophobicContact CG-CG 3.66Å; K265-P303 PolarHBondContact N-O 3.07Å; K265-P303 VanDerWaalsContact N-O 3.1Å
304	K	98.9	Very high	97.2	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.057	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.4	-178.6	68.4	92.7	179.8	-178.9	0	111.6	S216 N217 P219 K265 Y300 L302 D306 G322	S216-K304 PolarHBondContact O-NZ 3.07Å; N217-K304 WeakPolarHBondContact O-CE 3.37Å; N217-K304 PolarHBondContact O-NZ 3.1Å; P219-K304 HydrophobicContact CB-CG 4.47Å; K265-K304 HydrophobicContact CB-CB 4.26Å; K265-K304 CarbonylContact O-C 3.54Å; K265-K304 WeakPolarHBondContact O-CA 3.35Å; K265-K304 WeakPolarHBondContact O-CB 3.47Å; Y300-K304 WeakPolarHBondContact CE1-O 3.39Å; Y300-K304 PolarHBondContact OH-O 3.33Å; L302-K304 PolarHBondContact O-N 3.15Å; K304-D306 WeakPolarHBondContact CD-OD2 3.45Å; K304-D306 WeakPolarHBondContact CE-OD2 3.34Å; K304-D306 IonicContact NZ-OD2 2.79Å; K304-D306 PolarHBondContact NZ-OD2 3.17Å; K304-G322 WeakPolarHBondContact CE-O 2.99Å; K304-G322 PolarHBondContact NZ-O 3.06Å
305	Q	98.9	Very high	96.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	114.5	168.7	176.8	60.5	60.6	0	0	108.9	V264 K265 V266 S267 L289 Y300 L307 T324 L354	V264-Q305 HydrophobicContact CG1-CB 4.48Å; K265-Q305 PolarHBondContact O-N 2.89Å; V266-Q305 VanDerWaalsContact CA-O 3.27Å; V266-Q305 WeakPolarHBondContact CA-O 3.32Å; S267-Q305 PolarHBondContact N-O 3.38Å; L289-Q305 HydrophobicContact CD2-CB 4.28Å; Y300-Q305 HydrophobicContact CE1-CB 4.23Å; Y300-Q305 PolarHBondContact OH-OE1 2.87Å; Q305-L307 HydrophobicContact CG-CD1 3.96Å; Q305-T324 VanDerWaalsContact NE2-CG2 3.34Å; Q305-T324 PolarHBondContact NE2-OG1 3.31Å; Q305-T324 VanDerWaalsContact NE2-OG1 3.17Å; Q305-L354 HydrophobicContact CG-CD2 3.97Å
306	D	98.9	Very high	96.3	Very high	9 Å²	9	27.1 Å²	27.1	5%	0.048	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.4	176.3	-63.2	-29.6	0	0	0	110	S267 Y269 K304 G322 L323 T324	S267-D306 WeakPolarHBondContact CB-OD1 3.38Å; S267-D306 CarbonylContact O-C 3.54Å; S267-D306 WeakPolarHBondContact O-CA 3.37Å; S267-D306 PolarHBondContact OG-OD1 3.23Å; Y269-D306 HydrophobicContact CD2-CB 4.2Å; Y269-D306 HydrophobicContact CE2-CB 4.01Å; K304-D306 WeakPolarHBondContact CD-OD2 3.45Å; K304-D306 WeakPolarHBondContact CE-OD2 3.34Å; K304-D306 IonicContact NZ-OD2 2.79Å; K304-D306 PolarHBondContact NZ-OD2 3.17Å; D306-G322 PolarHBondContact N-O 2.89Å; D306-L323 HydrophobicContact CB-CD1 3.62Å; D306-L323 CarbonylContact O-C 3.59Å; D306-L323 WeakPolarHBondContact O-CA 3.39Å; D306-T324 PolarHBondContact O-N 3.42Å; D306-T324 PolarHBondContact O-OG1 2.81Å
307	L	98.9	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.5	170.6	-65.9	71.5	0	0	0	107.2	V266 S267 I268 Y269 A285 Q305 T324 Y326 L331 I350	V266-L307 HydrophobicContact CG1-CD1 4.07Å; S267-L307 PolarHBondContact O-N 3.18Å; I268-L307 CarbonylContact C-O 3.6Å; I268-L307 VanDerWaalsContact CA-O 3.27Å; I268-L307 WeakPolarHBondContact CA-O 3.35Å; I268-L307 HydrophobicContact CD1-CB 3.66Å; I268-L307 HydrophobicContact CD1-CD1 3.87Å; I268-L307 HydrophobicContact CD1-CD2 3.86Å; I268-L307 HydrophobicContact CD1-CG 3.98Å; Y269-L307 PolarHBondContact N-O 3.33Å; A285-L307 HydrophobicContact CB-CD1 4.03Å; A285-L307 HydrophobicContact CB-CD2 3.82Å; Q305-L307 HydrophobicContact CG-CD1 3.96Å; L307-T324 WeakPolarHBondContact CA-O 3.12Å; L307-T324 WeakPolarHBondContact CG-OG1 3.46Å; L307-Y326 HydrophobicContact CB-CD2 4.23Å; L307-Y326 HydrophobicContact CB-CE2 3.6Å; L307-Y326 HydrophobicContact CD2-CE2 3.95Å; L307-Y326 WeakPolarHBondContact CD2-OH 3.04Å; L307-Y326 HydrophobicContact CG-CE2 3.71Å; L307-L331 HydrophobicContact CB-CD1 3.99Å; L307-L331 HydrophobicContact CB-CD2 4.04Å; L307-L331 HydrophobicContact CD2-CD1 3.73Å; L307-L331 HydrophobicContact CG-CD1 4.5Å; L307-I350 HydrophobicContact CD2-CG1 4.09Å; L307-I350 HydrophobicContact CD2-CG2 4.07Å
308	I	98.9	Very high	96.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.1	-175.3	-176.5	164.9	0	0	0	112.2	L215 I249 F253 Y269 I310 L323 T324 T325 Y326	L215-I308 HydrophobicContact CD1-CD1 3.94Å; I249-I308 HydrophobicContact CD1-CD1 3.91Å; I249-I308 HydrophobicContact CD1-CG2 3.66Å; I249-I308 HydrophobicContact CG2-CD1 4.18Å; F253-I308 HydrophobicContact CD2-CD1 3.61Å; F253-I308 HydrophobicContact CD2-CG1 3.79Å; F253-I308 HydrophobicContact CE2-CD1 3.91Å; F253-I308 HydrophobicContact CE2-CG1 3.87Å; Y269-I308 WeakPolarHBondContact O-CA 3.43Å; I308-I310 HydrophobicContact CB-CD1 4.48Å; I308-I310 HydrophobicContact CD1-CD1 3.98Å; I308-I310 HydrophobicContact CG1-CD1 3.77Å; I308-I310 HydrophobicContact CG2-CD1 3.99Å; I308-I310 HydrophobicContact CG2-CG1 4.42Å; I308-I310 PolarHBondContact O-N 2.86Å; I308-L323 HydrophobicContact CG2-CD1 4.06Å; I308-T324 PolarHBondContact N-O 2.62Å; I308-T325 HydrophobicContact CG2-CG2 3.65Å; I308-Y326 PolarHBondContact O-N 2.9Å
309	A	98.8	Very high	96.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	105	176.6	0	0	0	0	0	110.6	F253 Y269 A270 E328 L331 L332	F253-A309 VanDerWaalsContact CE2-O 3.23Å; F253-A309 WeakPolarHBondContact CE2-O 3.46Å; Y269-A309 PolarHBondContact O-N 2.97Å; A270-A309 HydrophobicContact CB-CB 4.42Å; A309-E328 HydrophobicContact CB-CG 4.1Å; A309-L331 HydrophobicContact CB-CB 4.41Å; A309-L331 HydrophobicContact CB-CD2 3.96Å; A309-L332 HydrophobicContact CB-CD1 4.11Å; A309-L332 HydrophobicContact CB-CD2 3.87Å; A309-L332 HydrophobicContact CB-CG 3.85Å
310	I	98.4	Very high	96.8	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.7	-178.7	-52.5	-62.3	0	0	0	110.2	L176 I249 I308 D312 F313 T325 Y326	L176-I310 HydrophobicContact CD1-CD1 4.39Å; L176-I310 HydrophobicContact CD1-CG2 4.46Å; I249-I310 HydrophobicContact CD1-CD1 3.97Å; I308-I310 HydrophobicContact CB-CD1 4.48Å; I308-I310 HydrophobicContact CD1-CD1 3.98Å; I308-I310 HydrophobicContact CG1-CD1 3.77Å; I308-I310 HydrophobicContact CG2-CD1 3.99Å; I308-I310 HydrophobicContact CG2-CG1 4.42Å; I308-I310 PolarHBondContact O-N 2.86Å; I310-D312 WeakPolarHBondContact CG2-O 3.38Å; I310-D312 PolarHBondContact O-N 3.37Å; I310-F313 HydrophobicContact CB-CB 4.21Å; I310-F313 HydrophobicContact CB-CD2 4.2Å; I310-F313 HydrophobicContact CB-CG 4.44Å; I310-F313 HydrophobicContact CG1-CD2 4.43Å; I310-F313 HydrophobicContact CG2-CB 4.45Å; I310-F313 HydrophobicContact CG2-CD2 4.39Å; I310-T325 HydrophobicContact CG1-CG2 4.25Å; I310-Y326 PolarHBondContact N-O 3.26Å
311	P	96.8	Very high	96.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-63.6	-35.4	-177.6	-25.5	34.4	0	0	0	114.7	T165 Y166 L176 F253 R833 Q835	T165-P311 WeakPolarHBondContact O-CB 3.44Å; Y166-P311 HydrophobicContact CD1-CG 4.34Å; Y166-P311 HydrophobicContact CG-CG 4.48Å; L176-P311 HydrophobicContact CD2-CG 4.19Å; F253-P311 HydrophobicContact CZ-CG 4.15Å; P311-R833 WeakPolarHBondContact O-CD 3.45Å; P311-Q835 PolarHBondContact O-NE2 2.85Å; P311-Q835 PolarHBondContact O-OE1 3.05Å; P311-Q835 VanDerWaalsContact O-OE1 3.11Å
312	D	96.2	Very high	96.9	Very high	23 Å²	23	10.4 Å²	10.4	12%	0.123	7%	0.068	C	C	.	.	S	Bend	trans	-119	104	175.9	-54.4	-68.5	0	0	0	109.8	F158 Y162 S164 T165 I310 R833 Q835	F158-D312 HydrophobicContact CE1-CB 4.29Å; Y162-D312 WeakPolarHBondContact CE2-O 3.25Å; Y162-D312 PolarHBondContact OH-O 2.82Å; S164-D312 WeakPolarHBondContact CA-OD2 3.4Å; S164-D312 WeakPolarHBondContact CB-OD2 3.27Å; S164-D312 WeakPolarHBondContact OG-CB 3.15Å; S164-D312 PolarHBondContact OG-N 3.3Å; S164-D312 VanDerWaalsContact OG-N 3.14Å; S164-D312 PolarHBondContact OG-OD2 3.47Å; T165-D312 PolarHBondContact N-OD2 2.8Å; I310-D312 WeakPolarHBondContact CG2-O 3.38Å; I310-D312 PolarHBondContact O-N 3.37Å; D312-R833 IonicContact OD1-CZ 2.81Å; D312-R833 IonicContact OD1-NH1 3.62Å; D312-R833 PolarHBondContact OD1-NH1 3.08Å; D312-R833 IonicContact OD2-NH1 3.32Å; D312-R833 PolarHBondContact OD2-NH1 3.25Å; D312-Q835 VanDerWaalsContact CA-OE1 3.28Å
313	F	94.6	Very high	96.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.067	C	C	.	.			trans	-146.5	123.1	-175.4	-158.6	-111.6	0	0	0	110.7	Y162 H180 I310 V315 M318 T325 R327 Q835	Y162-F313 WeakPolarHBondContact OH-CD2 3.16Å; H180-F313 HydrophobicContact CB-CE2 4.3Å; H180-F313 AromaticContact ND1-CZ 3.91Å; I310-F313 HydrophobicContact CB-CB 4.21Å; I310-F313 HydrophobicContact CB-CD2 4.2Å; I310-F313 HydrophobicContact CB-CG 4.44Å; I310-F313 HydrophobicContact CG1-CD2 4.43Å; I310-F313 HydrophobicContact CG2-CB 4.45Å; I310-F313 HydrophobicContact CG2-CD2 4.39Å; F313-V315 HydrophobicContact CD1-CG2 4.1Å; F313-V315 WeakPolarHBondContact CD1-O 3.28Å; F313-V315 HydrophobicContact CE1-CG2 3.4Å; F313-V315 VanDerWaalsContact CE1-CG2 3.4Å; F313-V315 HydrophobicContact CZ-CG2 3.87Å; F313-M318 HydrophobicContact CE1-CB 4.47Å; F313-M318 HydrophobicContact CZ-CB 3.8Å; F313-T325 WeakPolarHBondContact CE2-OG1 3.39Å; F313-T325 WeakPolarHBondContact CZ-OG1 3.28Å; F313-R327 HydrophobicContact CB-CG 3.85Å; F313-R327 HydrophobicContact CD1-CG 4.19Å; F313-R327 WeakPolarHBondContact O-CG 3.49Å; F313-R327 VanDerWaalsContact O-CZ 3.24Å; F313-R327 PolarHBondContact O-NE 2.55Å; F313-R327 PolarHBondContact O-NH2 2.98Å; F313-Q835 PolarHBondContact O-OE1 2.9Å
314	Q	88	Confident	96.9	Very high	10 Å²	10	6.7 Å²	6.7	5%	0.047	5%	0.045	C	C	.	.	S	Bend	trans	-72.8	-43.2	-171.7	175.3	165.3	-19.2	0	0	113.3	F158 Y159 R327	F158-Q314 HydrophobicContact CB-CB 3.49Å; F158-Q314 VanDerWaalsContact CB-CB 3.49Å; F158-Q314 HydrophobicContact CD1-CB 4.28Å; F158-Q314 HydrophobicContact CD2-CB 3.84Å; F158-Q314 HydrophobicContact CD2-CG 4.34Å; F158-Q314 HydrophobicContact CG-CB 3.62Å; Y159-Q314 PolarHBondContact OH-NE2 3.18Å; Q314-R327 PolarHBondContact O-NE 3.48Å; Q314-R327 PolarHBondContact O-NH2 3.44Å
315	V	88.7	Confident	96.9	Very high	37 Å²	37	6 Å²	6	22%	0.224	4%	0.042	C	C	.	.	S	Bend	trans	-93.6	-176.3	-176	-61.2	0	0	0	0	111.2	F313 A317 R327	F313-V315 HydrophobicContact CD1-CG2 4.1Å; F313-V315 WeakPolarHBondContact CD1-O 3.28Å; F313-V315 HydrophobicContact CE1-CG2 3.4Å; F313-V315 VanDerWaalsContact CE1-CG2 3.4Å; F313-V315 HydrophobicContact CZ-CG2 3.87Å; V315-A317 VanDerWaalsContact CG2-O 3.28Å; V315-A317 WeakPolarHBondContact CG2-O 3.37Å; V315-R327 VanDerWaalsContact O-CD 3.23Å; V315-R327 WeakPolarHBondContact O-CD 3.31Å; V315-R327 VanDerWaalsContact O-CG 3.23Å; V315-R327 WeakPolarHBondContact O-CG 3.36Å; V315-R327 PolarHBondContact O-NE 2.94Å; V315-R327 VanDerWaalsContact O-NE 3.13Å
316	G	89.3	Confident	96.9	Very high	29 Å²	29	6 Å²	6	30%	0.299	4%	0.042	S	C	.	.	S	Bend	trans	-70.8	-50.5	-179.9	0	0	0	0	0	112.3	R327 S330	G316-R327 PolarHBondContact O-N 3.14Å; G316-S330 VanDerWaalsContact O-CB 3.31Å; G316-S330 WeakPolarHBondContact O-CB 3.4Å; G316-S330 PolarHBondContact O-OG 2.74Å
317	A	98	Very high	96.8	Very high	14 Å²	14	7.4 Å²	7.4	12%	0.116	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	176.6	176.3	0	0	0	0	0	109.1	V315 T325 Y326 V349 E353	V315-A317 VanDerWaalsContact CG2-O 3.28Å; V315-A317 WeakPolarHBondContact CG2-O 3.37Å; A317-T325 CarbonylContact C-O 3.57Å; A317-T325 WeakPolarHBondContact CA-O 3.42Å; A317-T325 VanDerWaalsContact CB-O 3.26Å; A317-T325 WeakPolarHBondContact CB-O 3.12Å; A317-Y326 HydrophobicContact CB-CD1 3.46Å; A317-Y326 VanDerWaalsContact CB-CD1 3.46Å; A317-Y326 HydrophobicContact CB-CE1 3.81Å; A317-Y326 HydrophobicContact CB-CG 3.94Å; A317-V349 HydrophobicContact CB-CG1 3.52Å; A317-E353 VanDerWaalsContact CB-CD 3.41Å; A317-E353 HydrophobicContact CB-CG 3.57Å; A317-E353 VanDerWaalsContact CB-OE1 3.3Å; A317-E353 WeakPolarHBondContact CB-OE1 3.43Å
318	M	98.6	Very high	96.8	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	138.6	177.4	171.2	76.1	-139.6	0	0	109.6	E182 Y244 L245 F313 N320 T324 T325 E353	E182-M318 HydrophobicContact CB-CE 3.76Å; E182-M318 HydrophobicContact CB-SD 3.48Å; E182-M318 WeakPolarHBondContact CB-SD 3.33Å; E182-M318 HydrophobicContact CG-CE 4.47Å; E182-M318 HydrophobicContact CG-SD 4.46Å; Y244-M318 HydrophobicContact CD2-CE 3.61Å; Y244-M318 HydrophobicContact CE2-CE 3.73Å; L245-M318 HydrophobicContact CD2-CE 4.01Å; F313-M318 HydrophobicContact CE1-CB 4.47Å; F313-M318 HydrophobicContact CZ-CB 3.8Å; M318-N320 VanDerWaalsContact C-N 3.28Å; M318-N320 WeakPolarHBondContact CG-OD1 3.43Å; M318-N320 PolarHBondContact O-N 2.95Å; M318-N320 VanDerWaalsContact O-N 3.13Å; M318-N320 PolarHBondContact O-OD1 2.97Å; M318-T324 CarbonylContact O-C 3.56Å; M318-T324 VanDerWaalsContact O-CA 3.28Å; M318-T324 WeakPolarHBondContact O-CA 3.28Å; M318-T325 WeakPolarHBondContact CB-OG1 3.22Å; M318-T325 PolarHBondContact N-O 3.29Å; M318-T325 PolarHBondContact O-N 3.27Å; M318-E353 PolarHBondContact N-OE2 3.28Å
319	E	98.6	Very high	96.8	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.019	6%	0.055	C	C	.	.			trans	-85.9	17.5	-162.7	72.1	-97.1	-147.2	0	0	115.6	L245 W321 E353 H356 Q357 N361	L245-E319 HydrophobicContact CD2-CG 3.75Å; E319-W321 PolarHBondContact O-N 3.06Å; E319-W321 VanDerWaalsContact O-N 3.15Å; E319-E353 VanDerWaalsContact CA-OE2 3.31Å; E319-E353 WeakPolarHBondContact CA-OE2 3.33Å; E319-E353 PolarHBondContact N-OE2 2.91Å; E319-E353 VanDerWaalsContact N-OE2 3.08Å; E319-H356 HydrophobicContact CB-CB 3.29Å; E319-H356 HydrophobicContact CG-CB 3.59Å; E319-H356 IonicContact OE1-ND1 3.57Å; E319-Q357 PolarHBondContact O-NE2 2.63Å; E319-Q357 VanDerWaalsContact O-NE2 3.07Å; E319-N361 WeakPolarHBondContact CG-OD1 3.37Å; E319-N361 PolarHBondContact O-ND2 3.04Å
320	N	98.9	Very high	96.7	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.056	C	C	.	.			trans	-45.4	124.3	-167.7	-47.4	84.1	0	0	0	111.2	L245 A247 M318 G322 L323 T324 T325	L245-N320 WeakPolarHBondContact O-CB 3.39Å; A247-N320 HydrophobicContact CB-CB 3.58Å; M318-N320 VanDerWaalsContact C-N 3.28Å; M318-N320 WeakPolarHBondContact CG-OD1 3.43Å; M318-N320 PolarHBondContact O-N 2.95Å; M318-N320 VanDerWaalsContact O-N 3.13Å; M318-N320 PolarHBondContact O-OD1 2.97Å; N320-G322 PolarHBondContact O-N 2.68Å; N320-L323 WeakPolarHBondContact CB-O 2.99Å; N320-L323 CarbonylContact O-C 3.52Å; N320-L323 PolarHBondContact O-N 3.45Å; N320-T324 PolarHBondContact O-N 2.95Å; N320-T325 PolarHBondContact OD1-OG1 3.31Å
321	W	98.8	Very high	96.7	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	113.5	-163.2	-155.7	-10	0	0	0	111.7	N217 V239 M241 Y300 P301 L302 E319 L323 N361 L362 Y469	N217-W321 VanDerWaalsContact CA-O 3.29Å; N217-W321 WeakPolarHBondContact CA-O 3.34Å; N217-W321 WeakPolarHBondContact CB-O 3.42Å; N217-W321 PolarHBondContact ND2-O 3.08Å; V239-W321 HydrophobicContact CG2-CD2 4.15Å; V239-W321 HydrophobicContact CG2-CE3 3.74Å; V239-W321 HydrophobicContact CG2-CH2 3.65Å; V239-W321 HydrophobicContact CG2-CZ2 4.08Å; V239-W321 HydrophobicContact CG2-CZ3 3.47Å; V239-W321 VanDerWaalsContact CG2-CZ3 3.47Å; M241-W321 HydrophobicContact CB-CE3 3.64Å; M241-W321 HydrophobicContact CB-CZ3 3.89Å; M241-W321 HydrophobicContact SD-CB 4.21Å; M241-W321 HydrophobicContact SD-CE3 4.27Å; Y300-W321 AromaticContact CE2-CD1 3.98Å; Y300-W321 AromaticContact CE2-NE1 3.74Å; P301-W321 HydrophobicContact CG-CZ2 3.55Å; L302-W321 HydrophobicContact CD1-CB 4.41Å; L302-W321 HydrophobicContact CD1-CD2 4.44Å; L302-W321 HydrophobicContact CD1-CG 3.82Å; E319-W321 PolarHBondContact O-N 3.06Å; E319-W321 VanDerWaalsContact O-N 3.15Å; W321-L323 VanDerWaalsContact C-N 3.32Å; W321-L323 PolarHBondContact O-N 3.09Å; W321-N361 WeakPolarHBondContact CA-ND2 3.39Å; W321-N361 HydrophobicContact CB-CB 4.43Å; W321-N361 WeakPolarHBondContact CB-ND2 3.37Å; W321-N361 HydrophobicContact CD2-CB 3.61Å; W321-N361 HydrophobicContact CE3-CB 3.74Å; W321-N361 HydrophobicContact CG-CB 3.94Å; W321-N361 HydrophobicContact CH2-CB 4.39Å; W321-N361 HydrophobicContact CZ2-CB 4.25Å; W321-N361 HydrophobicContact CZ3-CB 4.14Å; W321-N361 WeakPolarHBondContact CZ3-O 3.39Å; W321-L362 HydrophobicContact CH2-CB 4.22Å; W321-L362 HydrophobicContact CH2-CD1 4.19Å; W321-L362 HydrophobicContact CZ2-CB 4.28Å; W321-L362 HydrophobicContact CZ2-CD1 4.45Å; W321-Y469 AromaticContact CH2-CD1 3.93Å; W321-Y469 HydrophobicContact CH2-CD1 3.93Å; W321-Y469 AromaticContact CH2-CE1 3.76Å; W321-Y469 HydrophobicContact CH2-CE1 3.76Å; W321-Y469 HydrophobicContact CZ2-CE1 4.39Å; W321-Y469 HydrophobicContact CZ3-CD1 4.48Å
322	G	98.8	Very high	96.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-7.9	-176.3	0	0	0	0	0	116	Y300 K304 D306 N320	Y300-G322 WeakPolarHBondContact OH-CA 3.16Å; Y300-G322 PolarHBondContact OH-N 3.46Å; K304-G322 WeakPolarHBondContact CE-O 2.99Å; K304-G322 PolarHBondContact NZ-O 3.06Å; D306-G322 PolarHBondContact N-O 2.89Å; N320-G322 PolarHBondContact O-N 2.68Å
323	L	98.9	Very high	96.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	62.2	177.1	-176.3	58.5	0	0	0	111	L215 A247 I249 D306 I308 N320 W321 T325	L215-L323 HydrophobicContact CB-CD1 4.08Å; L215-L323 HydrophobicContact CB-CD2 3.79Å; L215-L323 HydrophobicContact CD1-CD1 4.16Å; A247-L323 HydrophobicContact CB-CB 4.4Å; A247-L323 HydrophobicContact CB-CD2 4.11Å; A247-L323 HydrophobicContact CB-CG 4.47Å; I249-L323 HydrophobicContact CD1-CD1 4.44Å; I249-L323 HydrophobicContact CD1-CD2 4.03Å; I249-L323 HydrophobicContact CD1-CG 4.27Å; I249-L323 HydrophobicContact CG1-CD2 4.15Å; D306-L323 HydrophobicContact CB-CD1 3.62Å; D306-L323 CarbonylContact O-C 3.59Å; D306-L323 WeakPolarHBondContact O-CA 3.39Å; I308-L323 HydrophobicContact CG2-CD1 4.06Å; N320-L323 WeakPolarHBondContact CB-O 2.99Å; N320-L323 CarbonylContact O-C 3.52Å; N320-L323 PolarHBondContact O-N 3.45Å; W321-L323 VanDerWaalsContact C-N 3.32Å; W321-L323 PolarHBondContact O-N 3.09Å; L323-T325 PolarHBondContact O-N 2.87Å
324	T	98.9	Very high	97.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.6	179	48.3	0	0	0	0	110.7	Q305 D306 L307 I308 M318 N320 Y326 E353	Q305-T324 VanDerWaalsContact NE2-CG2 3.34Å; Q305-T324 PolarHBondContact NE2-OG1 3.31Å; Q305-T324 VanDerWaalsContact NE2-OG1 3.17Å; D306-T324 PolarHBondContact O-N 3.42Å; D306-T324 PolarHBondContact O-OG1 2.81Å; L307-T324 WeakPolarHBondContact CA-O 3.12Å; L307-T324 WeakPolarHBondContact CG-OG1 3.46Å; I308-T324 PolarHBondContact N-O 2.62Å; M318-T324 CarbonylContact O-C 3.56Å; M318-T324 VanDerWaalsContact O-CA 3.28Å; M318-T324 WeakPolarHBondContact O-CA 3.28Å; N320-T324 PolarHBondContact O-N 2.95Å; T324-Y326 WeakPolarHBondContact O-CE2 3.44Å; T324-Y326 WeakPolarHBondContact OG1-CE2 3.48Å; T324-Y326 PolarHBondContact OG1-OH 3.4Å; T324-E353 HydrophobicContact CG2-CB 4.11Å
325	T	98.9	Very high	97.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.3	-176.6	53.1	0	0	0	0	110.7	I249 I308 I310 F313 A317 M318 N320 L323	I249-T325 HydrophobicContact CD1-CG2 3.86Å; I308-T325 HydrophobicContact CG2-CG2 3.65Å; I310-T325 HydrophobicContact CG1-CG2 4.25Å; F313-T325 WeakPolarHBondContact CE2-OG1 3.39Å; F313-T325 WeakPolarHBondContact CZ-OG1 3.28Å; A317-T325 CarbonylContact C-O 3.57Å; A317-T325 WeakPolarHBondContact CA-O 3.42Å; A317-T325 VanDerWaalsContact CB-O 3.26Å; A317-T325 WeakPolarHBondContact CB-O 3.12Å; M318-T325 WeakPolarHBondContact CB-OG1 3.22Å; M318-T325 PolarHBondContact N-O 3.29Å; M318-T325 PolarHBondContact O-N 3.27Å; N320-T325 PolarHBondContact OD1-OG1 3.31Å; L323-T325 PolarHBondContact O-N 2.87Å
326	Y	98.8	Very high	97.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.1	-172.4	-61.6	-105.5	0	0	0	110.7	L307 I308 I310 A317 T324 L331 V349 I350 E353	L307-Y326 HydrophobicContact CB-CD2 4.23Å; L307-Y326 HydrophobicContact CB-CE2 3.6Å; L307-Y326 HydrophobicContact CD2-CE2 3.95Å; L307-Y326 WeakPolarHBondContact CD2-OH 3.04Å; L307-Y326 HydrophobicContact CG-CE2 3.71Å; I308-Y326 PolarHBondContact O-N 2.9Å; I310-Y326 PolarHBondContact N-O 3.26Å; A317-Y326 HydrophobicContact CB-CD1 3.46Å; A317-Y326 VanDerWaalsContact CB-CD1 3.46Å; A317-Y326 HydrophobicContact CB-CE1 3.81Å; A317-Y326 HydrophobicContact CB-CG 3.94Å; T324-Y326 WeakPolarHBondContact O-CE2 3.44Å; T324-Y326 WeakPolarHBondContact OG1-CE2 3.48Å; T324-Y326 PolarHBondContact OG1-OH 3.4Å; Y326-L331 HydrophobicContact CD1-CB 4.17Å; Y326-L331 HydrophobicContact CD1-CD1 4.15Å; Y326-L331 HydrophobicContact CD2-CB 4.48Å; Y326-L331 HydrophobicContact CD2-CD1 4.12Å; Y326-L331 HydrophobicContact CD2-CD2 3.82Å; Y326-L331 HydrophobicContact CD2-CG 4.38Å; Y326-L331 HydrophobicContact CE1-CD1 4.22Å; Y326-L331 HydrophobicContact CE2-CD1 4.21Å; Y326-L331 HydrophobicContact CE2-CD2 4.47Å; Y326-L331 HydrophobicContact CG-CB 3.9Å; Y326-L331 HydrophobicContact CG-CD1 4.12Å; Y326-L331 HydrophobicContact CG-CD2 4.08Å; Y326-L331 HydrophobicContact CG-CG 4.27Å; Y326-V349 HydrophobicContact CD1-CG1 3.89Å; Y326-V349 HydrophobicContact CE1-CG1 3.87Å; Y326-I350 HydrophobicContact CE1-CG1 4.23Å; Y326-E353 HydrophobicContact CD1-CG 4.47Å; Y326-E353 HydrophobicContact CE1-CB 4.3Å; Y326-E353 HydrophobicContact CE1-CG 3.55Å; Y326-E353 VanDerWaalsContact OH-CB 3.22Å; Y326-E353 WeakPolarHBondContact OH-CB 3.43Å; Y326-E353 WeakPolarHBondContact OH-CG 3.37Å
327	R	98.2	Very high	98	Very high	37 Å²	37	17.4 Å²	17.4	14%	0.14	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	145.9	152.3	-87.7	179.4	-174.6	-126.3	3.7	108.9	F313 Q314 V315 G316 T329 S330 L331 Q835 D836	F313-R327 HydrophobicContact CB-CG 3.85Å; F313-R327 HydrophobicContact CD1-CG 4.19Å; F313-R327 WeakPolarHBondContact O-CG 3.49Å; F313-R327 VanDerWaalsContact O-CZ 3.24Å; F313-R327 PolarHBondContact O-NE 2.55Å; F313-R327 PolarHBondContact O-NH2 2.98Å; Q314-R327 PolarHBondContact O-NE 3.48Å; Q314-R327 PolarHBondContact O-NH2 3.44Å; V315-R327 VanDerWaalsContact O-CD 3.23Å; V315-R327 WeakPolarHBondContact O-CD 3.31Å; V315-R327 VanDerWaalsContact O-CG 3.23Å; V315-R327 WeakPolarHBondContact O-CG 3.36Å; V315-R327 PolarHBondContact O-NE 2.94Å; V315-R327 VanDerWaalsContact O-NE 3.13Å; G316-R327 PolarHBondContact O-N 3.14Å; R327-T329 PolarHBondContact O-N 3.24Å; R327-T329 VanDerWaalsContact O-N 3.16Å; R327-S330 WeakPolarHBondContact O-CB 3.43Å; R327-S330 PolarHBondContact O-N 3.02Å; R327-L331 PolarHBondContact O-N 3.32Å; R327-Q835 PolarHBondContact NH1-O 2.99Å; R327-Q835 PolarHBondContact NH2-O 3.48Å; R327-D836 IonicContact NH1-OD1 3.77Å; R327-D836 PolarHBondContact NH1-OD1 3.09Å
328	E	98.4	Very high	98	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	9%	0.092	C	C	.	.	H	α-helix	trans	-53.3	-37.7	174.5	-70	-176.6	133.7	0	0	112.6	K274 A309 S330 L331 L332 E800	K274-E328 VanDerWaalsContact CD-OE1 3.24Å; K274-E328 WeakPolarHBondContact CD-OE1 3.29Å; K274-E328 WeakPolarHBondContact CE-OE1 3.4Å; K274-E328 IonicContact NZ-OE1 3.63Å; K274-E328 PolarHBondContact NZ-OE1 3.22Å; K274-E328 IonicContact NZ-OE2 2.69Å; K274-E328 PolarHBondContact NZ-OE2 2.68Å; A309-E328 HydrophobicContact CB-CG 4.1Å; E328-S330 PolarHBondContact O-N 3.18Å; E328-L331 PolarHBondContact O-N 3.04Å; E328-L332 HydrophobicContact CB-CD1 4.02Å; E328-L332 HydrophobicContact CB-CG 4.46Å; E328-L332 HydrophobicContact CG-CD1 4.11Å; E328-L332 WeakPolarHBondContact O-CB 3.05Å; E328-L332 PolarHBondContact O-N 3.38Å; E328-E800 HydrophobicContact CB-CB 4.39Å; E328-E800 HydrophobicContact CB-CG 3.7Å; E328-E800 HydrophobicContact CG-CG 4.48Å; E328-E800 VanDerWaalsContact OE2-CD 3.3Å; E328-E800 WeakPolarHBondContact OE2-CG 3.22Å
329	T	97.4	Very high	97.9	Very high	30 Å²	30	17.4 Å²	17.4	18%	0.184	10%	0.096	C	C	.	.	H	α-helix	trans	-69.3	-14.2	177.4	55	0	0	0	0	114.5	R327 W345 E800 N804	R327-T329 PolarHBondContact O-N 3.24Å; R327-T329 VanDerWaalsContact O-N 3.16Å; T329-W345 VanDerWaalsContact O-CD1 3.27Å; T329-W345 PolarHBondContact O-NE1 2.83Å; T329-E800 HydrophobicContact CG2-CB 3.53Å; T329-N804 VanDerWaalsContact CG2-ND2 3.26Å; T329-N804 WeakPolarHBondContact CG2-ND2 3.39Å
330	S	98.4	Very high	97.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	10%	0.098	C	C	.	.	H	α-helix	trans	-98.8	-7.1	178.9	-57.5	0	0	0	0	113.1	G316 R327 E328 W345	G316-S330 VanDerWaalsContact O-CB 3.31Å; G316-S330 WeakPolarHBondContact O-CB 3.4Å; G316-S330 PolarHBondContact O-OG 2.74Å; R327-S330 WeakPolarHBondContact O-CB 3.43Å; R327-S330 PolarHBondContact O-N 3.02Å; E328-S330 PolarHBondContact O-N 3.18Å; S330-W345 PolarHBondContact OG-NE1 2.82Å
331	L	98.7	Very high	97.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-131.3	-41	-176	-168.9	65.7	0	0	0	113.2	I268 A281 L307 A309 Y326 R327 E328 I350	I268-L331 HydrophobicContact CG2-CD1 4.48Å; I268-L331 HydrophobicContact CG2-CD2 3.84Å; I268-L331 HydrophobicContact CG2-CG 4.13Å; A281-L331 HydrophobicContact CB-CD1 3.58Å; A281-L331 HydrophobicContact CB-CG 4.06Å; A281-L331 WeakPolarHBondContact CB-O 3.26Å; L307-L331 HydrophobicContact CB-CD1 3.99Å; L307-L331 HydrophobicContact CB-CD2 4.04Å; L307-L331 HydrophobicContact CD2-CD1 3.73Å; L307-L331 HydrophobicContact CG-CD1 4.5Å; A309-L331 HydrophobicContact CB-CB 4.41Å; A309-L331 HydrophobicContact CB-CD2 3.96Å; Y326-L331 HydrophobicContact CD1-CB 4.17Å; Y326-L331 HydrophobicContact CD1-CD1 4.15Å; Y326-L331 HydrophobicContact CD2-CB 4.48Å; Y326-L331 HydrophobicContact CD2-CD1 4.12Å; Y326-L331 HydrophobicContact CD2-CD2 3.82Å; Y326-L331 HydrophobicContact CD2-CG 4.38Å; Y326-L331 HydrophobicContact CE1-CD1 4.22Å; Y326-L331 HydrophobicContact CE2-CD1 4.21Å; Y326-L331 HydrophobicContact CE2-CD2 4.47Å; Y326-L331 HydrophobicContact CG-CB 3.9Å; Y326-L331 HydrophobicContact CG-CD1 4.12Å; Y326-L331 HydrophobicContact CG-CD2 4.08Å; Y326-L331 HydrophobicContact CG-CG 4.27Å; R327-L331 PolarHBondContact O-N 3.32Å; E328-L331 PolarHBondContact O-N 3.04Å; L331-I350 HydrophobicContact CD1-CD1 4.01Å; L331-I350 HydrophobicContact CD1-CG1 4.03Å
332	L	98.7	Very high	97.4	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.047	12%	0.123	C	C	.	.			trans	-83.4	135.6	-175.3	-56.3	-175.5	0	0	0	110.9	A270 K274 Q277 T278 A309 E328	A270-L332 HydrophobicContact CB-CD2 3.94Å; K274-L332 HydrophobicContact CB-CD1 3.98Å; K274-L332 HydrophobicContact CD-CD1 3.89Å; Q277-L332 HydrophobicContact CB-CB 3.9Å; Q277-L332 HydrophobicContact CB-CD2 4.31Å; T278-L332 HydrophobicContact CG2-CD2 3.84Å; A309-L332 HydrophobicContact CB-CD1 4.11Å; A309-L332 HydrophobicContact CB-CD2 3.87Å; A309-L332 HydrophobicContact CB-CG 3.85Å; E328-L332 HydrophobicContact CB-CD1 4.02Å; E328-L332 HydrophobicContact CB-CG 4.46Å; E328-L332 HydrophobicContact CG-CD1 4.11Å; E328-L332 WeakPolarHBondContact O-CB 3.05Å; E328-L332 PolarHBondContact O-N 3.38Å
333	Y	98.4	Very high	97.4	Very high	30 Å²	30	24.8 Å²	24.8	12%	0.118	14%	0.136	C	C	.	.			trans	-130	120.2	178.4	-179.5	-100.8	0	0	0	110.6	Q277 Y280 P335 S338 K343	Q277-Y333 WeakPolarHBondContact CA-O 3.39Å; Q277-Y333 PolarHBondContact O-N 3.33Å; Y280-Y333 HydrophobicContact CD1-CD1 4.16Å; Y280-Y333 HydrophobicContact CD1-CD2 4.46Å; Y280-Y333 AromaticContact CD1-CG 3.89Å; Y280-Y333 HydrophobicContact CD1-CG 3.89Å; Y280-Y333 HydrophobicContact CG-CD1 4Å; Y280-Y333 HydrophobicContact CG-CG 4.19Å; Y333-P335 HydrophobicContact CD1-CG 4.34Å; Y333-P335 HydrophobicContact CE1-CB 4.33Å; Y333-P335 HydrophobicContact CE1-CG 3.96Å; Y333-S338 VanDerWaalsContact CD2-CB 3.41Å; Y333-K343 HydrophobicContact CD2-CB 4.19Å; Y333-K343 HydrophobicContact CD2-CG 4.43Å; Y333-K343 HydrophobicContact CE2-CB 3.57Å; Y333-K343 HydrophobicContact CE2-CD 4.33Å; Y333-K343 HydrophobicContact CE2-CG 3.96Å
334	D	97.2	Very high	97.3	Very high	32 Å²	32	25.1 Å²	25.1	17%	0.171	14%	0.138	C	C	.	.			trans	-109.7	111.9	173.3	172.1	14.9	0	0	0	109.9	Q277 L336 T337 S338	Q277-D334 HydrophobicContact CG-CB 4.23Å; D334-L336 PolarHBondContact O-N 3.44Å; D334-L336 PolarHBondContact OD1-N 3.01Å; D334-T337 WeakPolarHBondContact CB-OG1 3.32Å; D334-T337 VanDerWaalsContact CG-OG1 3.27Å; D334-T337 PolarHBondContact O-N 3.41Å; D334-T337 VanDerWaalsContact O-N 3.12Å; D334-T337 WeakPolarHBondContact OD2-CG2 3.46Å; D334-T337 PolarHBondContact OD2-OG1 2.85Å; D334-S338 PolarHBondContact N-OG 3.26Å; D334-S338 WeakPolarHBondContact O-CA 3.34Å; D334-S338 WeakPolarHBondContact O-CB 3.33Å; D334-S338 PolarHBondContact O-N 2.84Å; D334-S338 PolarHBondContact O-OG 2.79Å
335	P	95.3	Very high	97.2	Very high	91 Å²	91	27.3 Å²	27.3	59%	0.591	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.7	-179.7	-23.8	32.5	0	0	0	115.2	Y333	Y333-P335 HydrophobicContact CD1-CG 4.34Å; Y333-P335 HydrophobicContact CE1-CB 4.33Å; Y333-P335 HydrophobicContact CE1-CG 3.96Å
336	L	94.9	Very high	97.2	Very high	94 Å²	94	27.3 Å²	27.3	49%	0.492	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-22.4	-178.2	-61.1	-177	0	0	0	113.3	D334 T770	D334-L336 PolarHBondContact O-N 3.44Å; D334-L336 PolarHBondContact OD1-N 3.01Å; L336-T770 WeakPolarHBondContact O-CG2 3.36Å
337	T	95.9	Very high	97.2	Very high	20 Å²	20	27.3 Å²	27.3	12%	0.123	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-15.3	-171	59.2	0	0	0	0	114	D334 S799 Q802 K805	D334-T337 WeakPolarHBondContact CB-OG1 3.32Å; D334-T337 VanDerWaalsContact CG-OG1 3.27Å; D334-T337 PolarHBondContact O-N 3.41Å; D334-T337 VanDerWaalsContact O-N 3.12Å; D334-T337 WeakPolarHBondContact OD2-CG2 3.46Å; D334-T337 PolarHBondContact OD2-OG1 2.85Å; T337-S799 VanDerWaalsContact OG1-CB 3.27Å; T337-S799 WeakPolarHBondContact OG1-CB 3.25Å; T337-S799 PolarHBondContact OG1-OG 3.19Å; T337-Q802 HydrophobicContact CG2-CB 4.12Å; T337-Q802 HydrophobicContact CG2-CG 4.32Å; T337-K805 PolarHBondContact O-NZ 3.37Å
338	S	97.4	Very high	97.2	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.021	14%	0.142	C	C	.	.			trans	-91.8	119.7	179.4	-52.9	0	0	0	0	110.2	Y333 D334 A801	Y333-S338 VanDerWaalsContact CD2-CB 3.41Å; D334-S338 PolarHBondContact N-OG 3.26Å; D334-S338 WeakPolarHBondContact O-CA 3.34Å; D334-S338 WeakPolarHBondContact O-CB 3.33Å; D334-S338 PolarHBondContact O-N 2.84Å; D334-S338 PolarHBondContact O-OG 2.79Å; S338-A801 WeakPolarHBondContact OG-CB 3.4Å
339	S	96.1	Very high	97.2	Very high	13 Å²	13	26.1 Å²	26.1	9%	0.091	14%	0.143	C	C	.	.			trans	-69	174	179	68	0	0	0	0	112.1	S341 D342 K343	S339-S341 PolarHBondContact O-N 3.39Å; S339-S341 PolarHBondContact OG-N 3.48Å; S339-D342 WeakPolarHBondContact CB-OD2 3.48Å; S339-D342 PolarHBondContact N-OD2 3.37Å; S339-D342 PolarHBondContact O-N 3.14Å; S339-D342 PolarHBondContact OG-N 3.12Å; S339-D342 VanDerWaalsContact OG-N 3.1Å; S339-D342 PolarHBondContact OG-OD2 3.09Å; S339-K343 PolarHBondContact O-N 2.9Å
340	I	94.9	Very high	97.3	Very high	14 Å²	14	24.7 Å²	24.7	7%	0.072	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-32.5	171.6	-164.2	58.1	0	0	0	112.5	K343 L344 L393 V727 R730	I340-K343 HydrophobicContact CD1-CB 4.44Å; I340-K343 HydrophobicContact CD1-CD 4.34Å; I340-K343 WeakPolarHBondContact O-CB 3.24Å; I340-K343 PolarHBondContact O-N 3.45Å; I340-L344 PolarHBondContact O-N 3.01Å; I340-L393 HydrophobicContact CD1-CD2 4.28Å; I340-V727 HydrophobicContact CD1-CG2 3.69Å; I340-V727 HydrophobicContact CG1-CB 4.06Å; I340-V727 HydrophobicContact CG1-CG1 3.97Å; I340-V727 HydrophobicContact CG1-CG2 3.49Å; I340-V727 VanDerWaalsContact CG1-CG2 3.49Å; I340-R730 HydrophobicContact CB-CB 4.4Å; I340-R730 HydrophobicContact CG2-CB 3.6Å
341	S	94.2	Very high	97.3	Very high	47 Å²	47	24.7 Å²	24.7	33%	0.329	13%	0.133	S	C	.	.	H	α-helix	trans	-68.8	-38.2	176.2	-61.7	0	0	0	0	111.1	S339 K343 L344 W345	S339-S341 PolarHBondContact O-N 3.39Å; S339-S341 PolarHBondContact OG-N 3.48Å; S341-K343 VanDerWaalsContact C-N 3.35Å; S341-L344 PolarHBondContact O-N 2.99Å; S341-W345 WeakPolarHBondContact O-CB 3.42Å; S341-W345 PolarHBondContact O-N 2.66Å
342	D	97.1	Very high	97.3	Very high	37 Å²	37	24.9 Å²	24.9	20%	0.198	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-42.4	173.1	-61.3	-48.4	0	0	0	110.6	S339 W345 V346 K805	S339-D342 WeakPolarHBondContact CB-OD2 3.48Å; S339-D342 PolarHBondContact N-OD2 3.37Å; S339-D342 PolarHBondContact O-N 3.14Å; S339-D342 PolarHBondContact OG-N 3.12Å; S339-D342 VanDerWaalsContact OG-N 3.1Å; S339-D342 PolarHBondContact OG-OD2 3.09Å; D342-W345 PolarHBondContact O-N 3.09Å; D342-V346 WeakPolarHBondContact O-CG2 3.4Å; D342-V346 PolarHBondContact O-N 3.13Å; D342-K805 IonicContact OD2-NZ 3.81Å; D342-K805 PolarHBondContact OD2-NZ 3.46Å
343	K	97.7	Very high	97.3	Very high	60 Å²	60	24.9 Å²	24.9	26%	0.261	13%	0.134	S	C	.	.	H	α-helix	trans	-59.6	-48	175.8	-168	172.2	-174	168.7	0	111.8	Y280 Y333 S339 I340 S341 T347	Y280-K343 HydrophobicContact CD1-CG 4.46Å; Y280-K343 HydrophobicContact CE1-CG 3.64Å; Y280-K343 HydrophobicContact CE2-CD 4.37Å; Y280-K343 HydrophobicContact CE2-CG 4.3Å; Y280-K343 VanDerWaalsContact OH-CE 3.24Å; Y280-K343 WeakPolarHBondContact OH-CE 3.49Å; Y280-K343 WeakPolarHBondContact OH-CG 3.29Å; Y333-K343 HydrophobicContact CD2-CB 4.19Å; Y333-K343 HydrophobicContact CD2-CG 4.43Å; Y333-K343 HydrophobicContact CE2-CB 3.57Å; Y333-K343 HydrophobicContact CE2-CD 4.33Å; Y333-K343 HydrophobicContact CE2-CG 3.96Å; S339-K343 PolarHBondContact O-N 2.9Å; I340-K343 HydrophobicContact CD1-CB 4.44Å; I340-K343 HydrophobicContact CD1-CD 4.34Å; I340-K343 WeakPolarHBondContact O-CB 3.24Å; I340-K343 PolarHBondContact O-N 3.45Å; S341-K343 VanDerWaalsContact C-N 3.35Å; K343-T347 PolarHBondContact O-N 3.43Å; K343-T347 VanDerWaalsContact O-N 3.08Å; K343-T347 PolarHBondContact O-OG1 3.48Å
344	L	97.1	Very high	97.4	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.042	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-46.1	176	171.9	64.7	0	0	0	111.1	I340 S341 V346 T347 M348 V386 L393 V395 Y398	I340-L344 PolarHBondContact O-N 3.01Å; S341-L344 PolarHBondContact O-N 2.99Å; L344-V346 PolarHBondContact O-N 3.2Å; L344-T347 WeakPolarHBondContact O-CB 3.34Å; L344-T347 PolarHBondContact O-N 2.91Å; L344-T347 VanDerWaalsContact O-N 3.16Å; L344-M348 HydrophobicContact CD1-CG 3.68Å; L344-M348 HydrophobicContact CD1-SD 4.38Å; L344-M348 HydrophobicContact CG-CG 4.12Å; L344-M348 WeakPolarHBondContact O-CB 3.42Å; L344-M348 VanDerWaalsContact O-CG 3.24Å; L344-M348 WeakPolarHBondContact O-CG 3.33Å; L344-M348 PolarHBondContact O-N 3.08Å; L344-V386 HydrophobicContact CD1-CG1 4.44Å; L344-L393 HydrophobicContact CD1-CB 4.04Å; L344-L393 HydrophobicContact CD1-CD1 4.2Å; L344-V395 HydrophobicContact CD1-CG2 4.3Å; L344-Y398 HydrophobicContact CD2-CD1 3.82Å; L344-Y398 HydrophobicContact CD2-CD2 3.66Å; L344-Y398 HydrophobicContact CD2-CE1 3.39Å; L344-Y398 HydrophobicContact CD2-CE2 3.23Å; L344-Y398 HydrophobicContact CD2-CG 3.94Å; L344-Y398 WeakPolarHBondContact CD2-OH 3.49Å
345	W	97.6	Very high	97.4	Very high	45 Å²	45	22 Å²	22	17%	0.17	12%	0.121	C	C	.	.	H	α-helix	trans	-55.8	-52	178.7	172.8	-109.1	0	0	0	111.8	M1 T329 S330 S341 D342 T347 M348 V349	M1-W345 HydrophobicContact CB-CE3 3.94Å; M1-W345 HydrophobicContact CB-CH2 3.49Å; M1-W345 VanDerWaalsContact CB-CH2 3.49Å; M1-W345 HydrophobicContact CB-CZ2 4.44Å; M1-W345 HydrophobicContact CB-CZ3 3.16Å; M1-W345 HydrophobicContact CE-CH2 3.6Å; M1-W345 HydrophobicContact CE-CZ3 3.77Å; M1-W345 HydrophobicContact CG-CH2 3.29Å; M1-W345 HydrophobicContact CG-CZ2 4.4Å; M1-W345 HydrophobicContact CG-CZ3 3.37Å; M1-W345 VanDerWaalsContact N-CE2 3.28Å; M1-W345 HydrophobicContact SD-CH2 3.82Å; M1-W345 HydrophobicContact SD-CZ3 3.55Å; M1-W345 VanDerWaalsContact SD-CZ3 3.55Å; T329-W345 VanDerWaalsContact O-CD1 3.27Å; T329-W345 PolarHBondContact O-NE1 2.83Å; S330-W345 PolarHBondContact OG-NE1 2.82Å; S341-W345 WeakPolarHBondContact O-CB 3.42Å; S341-W345 PolarHBondContact O-N 2.66Å; D342-W345 PolarHBondContact O-N 3.09Å; W345-T347 VanDerWaalsContact C-N 3.29Å; W345-T347 PolarHBondContact O-N 3.02Å; W345-M348 PolarHBondContact O-N 2.94Å; W345-V349 HydrophobicContact CD2-CG2 3.9Å; W345-V349 VanDerWaalsContact CE2-CG2 3.49Å; W345-V349 HydrophobicContact CE3-CG2 4.03Å; W345-V349 HydrophobicContact CH2-CG2 3.14Å; W345-V349 HydrophobicContact CZ2-CG2 3.16Å; W345-V349 HydrophobicContact CZ3-CG2 3.62Å; W345-V349 WeakPolarHBondContact O-CG2 3.28Å; W345-V349 PolarHBondContact O-N 2.99Å
346	V	98.7	Very high	97.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-57.2	-43.4	176.1	170.6	0	0	0	0	111.4	Y280 D342 L344 M348 V349 I350	Y280-V346 HydrophobicContact CD1-CG1 4.1Å; Y280-V346 HydrophobicContact CE1-CB 4.48Å; Y280-V346 HydrophobicContact CE1-CG1 4.19Å; D342-V346 WeakPolarHBondContact O-CG2 3.4Å; D342-V346 PolarHBondContact O-N 3.13Å; L344-V346 PolarHBondContact O-N 3.2Å; V346-M348 PolarHBondContact O-N 3.31Å; V346-V349 PolarHBondContact O-N 3.01Å; V346-I350 HydrophobicContact CG1-CD1 3.76Å; V346-I350 VanDerWaalsContact O-CG1 3.29Å; V346-I350 WeakPolarHBondContact O-CG1 3.3Å; V346-I350 PolarHBondContact O-N 3.45Å
347	T	98.8	Very high	97.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64	-43.7	-179.3	-46.1	0	0	0	0	111.6	Y280 V284 M288 K343 L344 W345 G351 V386 Y390 L393	Y280-T347 PolarHBondContact OH-OG1 3.11Å; V284-T347 HydrophobicContact CG1-CG2 3.89Å; V284-T347 HydrophobicContact CG2-CG2 4.25Å; M288-T347 HydrophobicContact CE-CG2 3.66Å; M288-T347 WeakPolarHBondContact CE-O 3.23Å; K343-T347 PolarHBondContact O-N 3.43Å; K343-T347 VanDerWaalsContact O-N 3.08Å; K343-T347 PolarHBondContact O-OG1 3.48Å; L344-T347 WeakPolarHBondContact O-CB 3.34Å; L344-T347 PolarHBondContact O-N 2.91Å; L344-T347 VanDerWaalsContact O-N 3.16Å; W345-T347 VanDerWaalsContact C-N 3.29Å; W345-T347 PolarHBondContact O-N 3.02Å; T347-G351 PolarHBondContact O-N 2.85Å; T347-V386 HydrophobicContact CG2-CG2 3.96Å; T347-Y390 HydrophobicContact CG2-CD2 3.79Å; T347-Y390 HydrophobicContact CG2-CE2 4.25Å; T347-Y390 HydrophobicContact CG2-CG 4.28Å; T347-L393 HydrophobicContact CG2-CD1 3.89Å
348	M	98.6	Very high	97.9	Very high	12 Å²	12	12.4 Å²	12.4	6%	0.059	6%	0.064	C	C	.	.	H	α-helix	trans	-64.3	-45.3	179.3	-73	-72.9	-83.4	0	0	111.8	L344 W345 V346 G351 H352 E382 Y383 V386 V395	L344-M348 HydrophobicContact CD1-CG 3.68Å; L344-M348 HydrophobicContact CD1-SD 4.38Å; L344-M348 HydrophobicContact CG-CG 4.12Å; L344-M348 WeakPolarHBondContact O-CB 3.42Å; L344-M348 VanDerWaalsContact O-CG 3.24Å; L344-M348 WeakPolarHBondContact O-CG 3.33Å; L344-M348 PolarHBondContact O-N 3.08Å; W345-M348 PolarHBondContact O-N 2.94Å; V346-M348 PolarHBondContact O-N 3.31Å; M348-G351 PolarHBondContact O-N 3.13Å; M348-H352 WeakPolarHBondContact O-CB 3.33Å; M348-H352 PolarHBondContact O-N 2.98Å; M348-E382 HydrophobicContact CE-CB 4.25Å; M348-E382 HydrophobicContact CE-CG 3.6Å; M348-E382 WeakPolarHBondContact CE-OE1 3.48Å; M348-E382 HydrophobicContact SD-CB 4.11Å; M348-E382 HydrophobicContact SD-CG 4.11Å; M348-Y383 HydrophobicContact CE-CD1 3.94Å; M348-Y383 HydrophobicContact CE-CE1 3.53Å; M348-Y383 HydrophobicContact CE-CE2 4.21Å; M348-Y383 HydrophobicContact CE-CG 4.41Å; M348-V386 HydrophobicContact CG-CG2 4.41Å; M348-V386 HydrophobicContact SD-CB 4.16Å; M348-V386 HydrophobicContact SD-CG1 4.48Å; M348-V386 HydrophobicContact SD-CG2 3.69Å; M348-V395 HydrophobicContact CE-CG2 3.62Å; M348-V395 HydrophobicContact CG-CG2 4.44Å; M348-V395 HydrophobicContact SD-CG2 3.25Å; M348-V395 WeakPolarHBondContact SD-CG2 3.31Å
349	V	98.8	Very high	98	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.012	6%	0.063	C	C	.	.	H	α-helix	trans	-66.1	-43.3	179.6	-176.5	0	0	0	0	111.1	A317 Y326 W345 V346 G351 H352 E353	A317-V349 HydrophobicContact CB-CG1 3.52Å; Y326-V349 HydrophobicContact CD1-CG1 3.89Å; Y326-V349 HydrophobicContact CE1-CG1 3.87Å; W345-V349 HydrophobicContact CD2-CG2 3.9Å; W345-V349 VanDerWaalsContact CE2-CG2 3.49Å; W345-V349 HydrophobicContact CE3-CG2 4.03Å; W345-V349 HydrophobicContact CH2-CG2 3.14Å; W345-V349 HydrophobicContact CZ2-CG2 3.16Å; W345-V349 HydrophobicContact CZ3-CG2 3.62Å; W345-V349 WeakPolarHBondContact O-CG2 3.28Å; W345-V349 PolarHBondContact O-N 2.99Å; V346-V349 PolarHBondContact O-N 3.01Å; V349-G351 VanDerWaalsContact C-N 3.27Å; V349-G351 PolarHBondContact O-N 3.36Å; V349-H352 VanDerWaalsContact O-CB 3.29Å; V349-H352 WeakPolarHBondContact O-CB 3.31Å; V349-H352 PolarHBondContact O-N 2.82Å; V349-H352 VanDerWaalsContact O-N 3.11Å; V349-E353 HydrophobicContact CG1-CG 4.22Å; V349-E353 WeakPolarHBondContact O-CG 3.5Å; V349-E353 PolarHBondContact O-N 2.97Å
350	I	98.9	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.8	-42.5	174.5	-65.5	167.4	0	0	0	110.5	A281 V284 A285 M288 L307 Y326 L331 V346 H352 L354	A281-I350 HydrophobicContact CB-CD1 3.69Å; V284-I350 HydrophobicContact CB-CD1 4.04Å; V284-I350 HydrophobicContact CB-CG2 4.49Å; V284-I350 HydrophobicContact CG1-CB 3.93Å; V284-I350 HydrophobicContact CG1-CD1 3.98Å; V284-I350 HydrophobicContact CG1-CG2 3.75Å; A285-I350 HydrophobicContact CB-CG2 3.96Å; M288-I350 HydrophobicContact SD-CG2 4.16Å; L307-I350 HydrophobicContact CD2-CG1 4.09Å; L307-I350 HydrophobicContact CD2-CG2 4.07Å; Y326-I350 HydrophobicContact CE1-CG1 4.23Å; L331-I350 HydrophobicContact CD1-CD1 4.01Å; L331-I350 HydrophobicContact CD1-CG1 4.03Å; V346-I350 HydrophobicContact CG1-CD1 3.76Å; V346-I350 VanDerWaalsContact O-CG1 3.29Å; V346-I350 WeakPolarHBondContact O-CG1 3.3Å; V346-I350 PolarHBondContact O-N 3.45Å; I350-H352 VanDerWaalsContact C-N 3.31Å; I350-H352 PolarHBondContact O-N 3.32Å; I350-L354 HydrophobicContact CG2-CD1 3.84Å; I350-L354 HydrophobicContact CG2-CG 4.25Å; I350-L354 WeakPolarHBondContact O-CB 3.43Å; I350-L354 VanDerWaalsContact O-CG 3.26Å; I350-L354 WeakPolarHBondContact O-CG 2.93Å; I350-L354 PolarHBondContact O-N 2.96Å
351	G	98.8	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.3	-40.9	174.4	0	0	0	0	0	112.9	M288 Y292 T347 M348 V349 A355	M288-G351 WeakPolarHBondContact SD-CA 3.43Å; M288-G351 PolarHBondContact SD-N 3.03Å; M288-G351 VanDerWaalsContact SD-N 3.42Å; Y292-G351 WeakPolarHBondContact CE2-O 3.38Å; Y292-G351 PolarHBondContact OH-O 3.35Å; T347-G351 PolarHBondContact O-N 2.85Å; M348-G351 PolarHBondContact O-N 3.13Å; V349-G351 VanDerWaalsContact C-N 3.27Å; V349-G351 PolarHBondContact O-N 3.36Å; G351-A355 WeakPolarHBondContact O-CB 3.23Å; G351-A355 PolarHBondContact O-N 3.06Å
352	H	98.8	Very high	98.5	Very high	5 Å²	5	9 Å²	9	2%	0.023	4%	0.041	C	C	.	.	H	α-helix	trans	-62	-56	177	-165.7	93.5	0	0	0	111.8	M348 V349 I350 L354 A355 H356 E375 R379 E382 Y437	M348-H352 WeakPolarHBondContact O-CB 3.33Å; M348-H352 PolarHBondContact O-N 2.98Å; V349-H352 VanDerWaalsContact O-CB 3.29Å; V349-H352 WeakPolarHBondContact O-CB 3.31Å; V349-H352 PolarHBondContact O-N 2.82Å; V349-H352 VanDerWaalsContact O-N 3.11Å; I350-H352 VanDerWaalsContact C-N 3.31Å; I350-H352 PolarHBondContact O-N 3.32Å; H352-L354 VanDerWaalsContact C-N 3.29Å; H352-L354 PolarHBondContact O-N 3.32Å; H352-A355 WeakPolarHBondContact O-CB 2.99Å; H352-A355 PolarHBondContact O-N 3.48Å; H352-A355 VanDerWaalsContact O-N 3.09Å; H352-H356 AromaticContact CD2-CD2 3.55Å; H352-H356 AromaticContact CD2-NE2 3.3Å; H352-H356 PolarHBondContact CD2-NE2 3.06Å; H352-H356 VanDerWaalsContact CD2-NE2 3.3Å; H352-H356 AromaticContact NE2-CD2 3.9Å; H352-H356 AromaticContact NE2-NE2 3.14Å; H352-H356 PolarHBondContact NE2-NE2 2.63Å; H352-H356 VanDerWaalsContact NE2-NE2 3.14Å; H352-H356 PolarHBondContact O-CD2 3.21Å; H352-H356 PolarHBondContact O-N 3.01Å; H352-H356 VanDerWaalsContact O-N 3.14Å; H352-E375 IonicContact CE1-OE2 2.73Å; H352-E375 IonicContact NE2-OE2 3.77Å; H352-E375 PolarHBondContact NE2-OE2 3.17Å; H352-R379 PolarHBondContact CE1-N 3.46Å; H352-R379 PolarHBondContact ND1-N 3.2Å; H352-E382 HydrophobicContact CB-CB 4.43Å; H352-E382 IonicContact CE1-OE2 3.69Å; H352-E382 IonicContact CG-OE2 2.71Å; H352-E382 IonicContact ND1-OE2 3.31Å; H352-E382 PolarHBondContact ND1-OE2 3.11Å; H352-Y437 AromaticContact CE1-CE1 3.95Å; H352-Y437 AromaticContact NE2-CE1 3.81Å
353	E	98.9	Very high	98.6	Very high	9 Å²	9	7.2 Å²	7.2	4%	0.042	3%	0.032	C	C	.	.	H	α-helix	trans	-63.8	-34.1	-178.5	-59.2	-42.3	127.8	0	0	112.8	A317 M318 E319 T324 Y326 V349 H356 Q357	A317-E353 VanDerWaalsContact CB-CD 3.41Å; A317-E353 HydrophobicContact CB-CG 3.57Å; A317-E353 VanDerWaalsContact CB-OE1 3.3Å; A317-E353 WeakPolarHBondContact CB-OE1 3.43Å; M318-E353 PolarHBondContact N-OE2 3.28Å; E319-E353 VanDerWaalsContact CA-OE2 3.31Å; E319-E353 WeakPolarHBondContact CA-OE2 3.33Å; E319-E353 PolarHBondContact N-OE2 2.91Å; E319-E353 VanDerWaalsContact N-OE2 3.08Å; T324-E353 HydrophobicContact CG2-CB 4.11Å; Y326-E353 HydrophobicContact CD1-CG 4.47Å; Y326-E353 HydrophobicContact CE1-CB 4.3Å; Y326-E353 HydrophobicContact CE1-CG 3.55Å; Y326-E353 VanDerWaalsContact OH-CB 3.22Å; Y326-E353 WeakPolarHBondContact OH-CB 3.43Å; Y326-E353 WeakPolarHBondContact OH-CG 3.37Å; V349-E353 HydrophobicContact CG1-CG 4.22Å; V349-E353 WeakPolarHBondContact O-CG 3.5Å; V349-E353 PolarHBondContact O-N 2.97Å; E353-H356 PolarHBondContact O-N 2.94Å; E353-Q357 PolarHBondContact O-NE2 3.08Å
354	L	98.9	Very high	98.7	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-74.6	-30.8	175.9	-67.9	-176.3	0	0	0	112.3	A285 M288 L289 Y292 Q305 I350 H352 H356 Q357 W358	A285-L354 HydrophobicContact CB-CD1 4.23Å; A285-L354 WeakPolarHBondContact O-CD1 3.49Å; M288-L354 HydrophobicContact CB-CD1 3.79Å; L289-L354 HydrophobicContact CB-CD1 4.33Å; L289-L354 HydrophobicContact CD1-CD2 4.44Å; Y292-L354 HydrophobicContact CD2-CB 3.86Å; Y292-L354 HydrophobicContact CE2-CB 3.67Å; Q305-L354 HydrophobicContact CG-CD2 3.97Å; I350-L354 HydrophobicContact CG2-CD1 3.84Å; I350-L354 HydrophobicContact CG2-CG 4.25Å; I350-L354 WeakPolarHBondContact O-CB 3.43Å; I350-L354 VanDerWaalsContact O-CG 3.26Å; I350-L354 WeakPolarHBondContact O-CG 2.93Å; I350-L354 PolarHBondContact O-N 2.96Å; H352-L354 VanDerWaalsContact C-N 3.29Å; H352-L354 PolarHBondContact O-N 3.32Å; L354-H356 VanDerWaalsContact C-N 3.3Å; L354-H356 PolarHBondContact O-N 2.99Å; L354-Q357 HydrophobicContact CD2-CG 4.46Å; L354-Q357 WeakPolarHBondContact O-CB 3.43Å; L354-Q357 WeakPolarHBondContact O-CG 3.35Å; L354-Q357 PolarHBondContact O-N 3.37Å; L354-W358 WeakPolarHBondContact O-CZ3 3.38Å
355	A	98.9	Very high	98.7	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-64	-38.2	171.6	0	0	0	0	0	111.7	Y292 G351 H352 Q357 W358 F359 A378 M381	Y292-A355 HydrophobicContact CE1-CB 4.21Å; Y292-A355 HydrophobicContact CE2-CB 4.3Å; G351-A355 WeakPolarHBondContact O-CB 3.23Å; G351-A355 PolarHBondContact O-N 3.06Å; H352-A355 WeakPolarHBondContact O-CB 2.99Å; H352-A355 PolarHBondContact O-N 3.48Å; H352-A355 VanDerWaalsContact O-N 3.09Å; A355-Q357 PolarHBondContact O-N 3.49Å; A355-Q357 VanDerWaalsContact O-N 3.15Å; A355-W358 PolarHBondContact O-N 2.88Å; A355-F359 PolarHBondContact O-N 2.97Å; A355-A378 HydrophobicContact CB-CB 4.26Å; A355-M381 HydrophobicContact CB-CB 3.62Å; A355-M381 HydrophobicContact CB-CG 4.38Å
356	H	98.9	Very high	98.8	Very high	2 Å²	2	3.2 Å²	3.2	1%	0.009	2%	0.016	C	C	.	.	H	α-helix	trans	-60.3	-22.4	177.4	-81	-60	0	0	0	114.2	E319 H352 E353 L354 W358 F359 G360 N361 E375 A378	E319-H356 HydrophobicContact CB-CB 3.29Å; E319-H356 HydrophobicContact CG-CB 3.59Å; E319-H356 IonicContact OE1-ND1 3.57Å; H352-H356 AromaticContact CD2-CD2 3.55Å; H352-H356 AromaticContact CD2-NE2 3.3Å; H352-H356 PolarHBondContact CD2-NE2 3.06Å; H352-H356 VanDerWaalsContact CD2-NE2 3.3Å; H352-H356 AromaticContact NE2-CD2 3.9Å; H352-H356 AromaticContact NE2-NE2 3.14Å; H352-H356 PolarHBondContact NE2-NE2 2.63Å; H352-H356 VanDerWaalsContact NE2-NE2 3.14Å; H352-H356 PolarHBondContact O-CD2 3.21Å; H352-H356 PolarHBondContact O-N 3.01Å; H352-H356 VanDerWaalsContact O-N 3.14Å; E353-H356 PolarHBondContact O-N 2.94Å; L354-H356 VanDerWaalsContact C-N 3.3Å; L354-H356 PolarHBondContact O-N 2.99Å; H356-W358 PolarHBondContact O-N 2.96Å; H356-F359 WeakPolarHBondContact CA-O 3.48Å; H356-F359 PolarHBondContact ND1-O 2.97Å; H356-F359 CarbonylContact O-C 3.52Å; H356-F359 PolarHBondContact O-N 2.81Å; H356-G360 PolarHBondContact O-N 2.87Å; H356-N361 WeakPolarHBondContact O-CB 3.22Å; H356-N361 PolarHBondContact O-N 2.9Å; H356-E375 IonicContact CE1-OE2 3.59Å; H356-E375 PolarHBondContact CE1-OE2 2.7Å; H356-E375 IonicContact NE2-OE2 2.72Å; H356-E375 PolarHBondContact NE2-OE2 3.12Å; H356-A378 WeakPolarHBondContact CE1-CB 3.27Å; H356-A378 VanDerWaalsContact NE2-CB 3.26Å; H356-A378 WeakPolarHBondContact NE2-CB 3.28Å
357	Q	98.9	Very high	98.8	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.005	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.5	174.2	-50.7	-51.1	-57.9	0	0	112	Y300 E319 E353 L354 A355 N361 L362	Y300-Q357 HydrophobicContact CD2-CB 4.03Å; Y300-Q357 HydrophobicContact CD2-CG 4.37Å; Y300-Q357 HydrophobicContact CE2-CB 3.91Å; Y300-Q357 HydrophobicContact CE2-CG 3.91Å; E319-Q357 PolarHBondContact O-NE2 2.63Å; E319-Q357 VanDerWaalsContact O-NE2 3.07Å; E353-Q357 PolarHBondContact O-NE2 3.08Å; L354-Q357 HydrophobicContact CD2-CG 4.46Å; L354-Q357 WeakPolarHBondContact O-CB 3.43Å; L354-Q357 WeakPolarHBondContact O-CG 3.35Å; L354-Q357 PolarHBondContact O-N 3.37Å; A355-Q357 PolarHBondContact O-N 3.49Å; A355-Q357 VanDerWaalsContact O-N 3.15Å; Q357-N361 PolarHBondContact NE2-ND2 2.86Å; Q357-N361 PolarHBondContact OE1-ND2 2.96Å; Q357-L362 WeakPolarHBondContact O-CB 3.21Å; Q357-L362 PolarHBondContact O-N 3.21Å
358	W	98.9	Very high	98.8	Very high	1 Å²	1	4.4 Å²	4.4	0%	0.004	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-52.5	168.6	-69.9	-100.5	0	0	0	112.3	L289 Y292 E293 F296 I298 Y300 L354 A355 H356 G360 V363 L464	L289-W358 HydrophobicContact CD1-CH2 3.72Å; L289-W358 HydrophobicContact CD1-CZ3 3.94Å; Y292-W358 VanDerWaalsContact CB-CZ3 3.47Å; Y292-W358 HydrophobicContact CD2-CZ3 4.33Å; Y292-W358 HydrophobicContact CG-CZ3 4.17Å; E293-W358 HydrophobicContact CG-CH2 4.06Å; E293-W358 HydrophobicContact CG-CZ2 3.93Å; F296-W358 HydrophobicContact CD2-CB 4.13Å; F296-W358 AromaticContact CD2-CD1 3.78Å; F296-W358 AromaticContact CD2-CD2 3.59Å; F296-W358 HydrophobicContact CD2-CD2 3.59Å; F296-W358 AromaticContact CD2-CE2 3.85Å; F296-W358 HydrophobicContact CD2-CE3 4.1Å; F296-W358 AromaticContact CD2-CG 3.57Å; F296-W358 HydrophobicContact CD2-CG 3.57Å; F296-W358 AromaticContact CD2-NE1 3.92Å; F296-W358 HydrophobicContact CE2-CB 4.1Å; F296-W358 AromaticContact CE2-CD2 3.94Å; F296-W358 HydrophobicContact CE2-CD2 3.94Å; F296-W358 HydrophobicContact CE2-CE3 4.08Å; F296-W358 AromaticContact CE2-CG 3.95Å; F296-W358 HydrophobicContact CE2-CG 3.95Å; F296-W358 HydrophobicContact CG-CG 4.38Å; I298-W358 VanDerWaalsContact O-CZ2 3.31Å; I298-W358 WeakPolarHBondContact O-CZ2 3.26Å; I298-W358 PolarHBondContact O-NE1 2.91Å; Y300-W358 HydrophobicContact CD2-CH2 4.46Å; L354-W358 WeakPolarHBondContact O-CZ3 3.38Å; A355-W358 PolarHBondContact O-N 2.88Å; H356-W358 PolarHBondContact O-N 2.96Å; W358-G360 PolarHBondContact O-N 3.46Å; W358-V363 PolarHBondContact O-N 3.49Å; W358-L464 HydrophobicContact CB-CD1 4Å; W358-L464 HydrophobicContact CB-CD2 3.98Å; W358-L464 HydrophobicContact CG-CD1 4.34Å
359	F	98.8	Very high	98.7	Very high	1 Å²	1	5.8 Å²	5.8	0%	0.004	3%	0.028	C	C	.	.	B	Isolated β-bridge	trans	-94.4	77.5	-178.3	-65.3	-77.5	0	0	0	112.1	F296 A355 H356 F377 M381 I460 Y463 L464	F296-F359 HydrophobicContact CD1-CE2 4.49Å; F296-F359 AromaticContact CE1-CE2 3.6Å; F296-F359 HydrophobicContact CE1-CE2 3.6Å; F296-F359 HydrophobicContact CE1-CZ 4.25Å; F296-F359 HydrophobicContact CE2-CE2 4.36Å; F296-F359 HydrophobicContact CZ-CD2 4.12Å; F296-F359 AromaticContact CZ-CE2 3.52Å; F296-F359 HydrophobicContact CZ-CE2 3.52Å; A355-F359 PolarHBondContact O-N 2.97Å; H356-F359 WeakPolarHBondContact CA-O 3.48Å; H356-F359 PolarHBondContact ND1-O 2.97Å; H356-F359 CarbonylContact O-C 3.52Å; H356-F359 PolarHBondContact O-N 2.81Å; F359-F377 HydrophobicContact CB-CB 3.79Å; F359-F377 HydrophobicContact CD1-CB 3.68Å; F359-F377 AromaticContact CD1-CD1 3.73Å; F359-F377 HydrophobicContact CD1-CD1 3.73Å; F359-F377 HydrophobicContact CD1-CD2 4.15Å; F359-F377 HydrophobicContact CD1-CE1 4.43Å; F359-F377 AromaticContact CD1-CG 3.57Å; F359-F377 HydrophobicContact CD1-CG 3.57Å; F359-F377 HydrophobicContact CD2-CB 4.03Å; F359-F377 HydrophobicContact CD2-CD1 4.24Å; F359-F377 HydrophobicContact CD2-CG 4.43Å; F359-F377 HydrophobicContact CE1-CB 4.23Å; F359-F377 AromaticContact CE1-CD1 3.36Å; F359-F377 HydrophobicContact CE1-CD1 3.36Å; F359-F377 HydrophobicContact CE1-CD2 4.29Å; F359-F377 AromaticContact CE1-CE1 3.7Å; F359-F377 HydrophobicContact CE1-CE1 3.7Å; F359-F377 AromaticContact CE1-CG 3.69Å; F359-F377 HydrophobicContact CE1-CG 3.69Å; F359-F377 HydrophobicContact CE1-CZ 4.29Å; F359-F377 AromaticContact CE2-CD1 3.89Å; F359-F377 HydrophobicContact CE2-CD1 3.89Å; F359-F377 HydrophobicContact CG-CB 3.57Å; F359-F377 HydrophobicContact CG-CD1 4.16Å; F359-F377 AromaticContact CG-CG 3.97Å; F359-F377 HydrophobicContact CG-CG 3.97Å; F359-F377 AromaticContact CZ-CD1 3.44Å; F359-F377 HydrophobicContact CZ-CD1 3.44Å; F359-F377 VanDerWaalsContact CZ-CD1 3.44Å; F359-F377 AromaticContact CZ-CE1 3.82Å; F359-F377 HydrophobicContact CZ-CE1 3.82Å; F359-F377 HydrophobicContact CZ-CG 4.17Å; F359-M381 HydrophobicContact CD2-CG 4.33Å; F359-M381 HydrophobicContact CE2-CG 4.12Å; F359-I460 HydrophobicContact CZ-CB 4.17Å; F359-Y463 HydrophobicContact CD1-CE1 4.22Å; F359-Y463 HydrophobicContact CE1-CD1 4.07Å; F359-Y463 HydrophobicContact CE1-CE1 4.04Å; F359-L464 HydrophobicContact CD1-CD2 3.97Å; F359-L464 HydrophobicContact CE1-CD1 4.33Å; F359-L464 HydrophobicContact CE1-CD2 3.8Å; F359-L464 HydrophobicContact CE1-CG 4.1Å; F359-L464 HydrophobicContact CE2-CD1 4.06Å; F359-L464 HydrophobicContact CG-CD2 4.4Å; F359-L464 HydrophobicContact CZ-CD1 3.81Å; F359-L464 HydrophobicContact CZ-CD2 4.12Å; F359-L464 HydrophobicContact CZ-CG 4.07Å
360	G	98.4	Very high	98.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	146.6	-45.5	178.4	0	0	0	0	0	111	Y244 H356 W358 V363 T364 N374	Y244-G360 PolarHBondContact OH-O 2.92Å; H356-G360 PolarHBondContact O-N 2.87Å; W358-G360 PolarHBondContact O-N 3.46Å; G360-V363 CarbonylContact C-O 3.58Å; G360-V363 VanDerWaalsContact CA-O 3.27Å; G360-V363 WeakPolarHBondContact CA-O 3.47Å; G360-V363 PolarHBondContact N-O 3.09Å; G360-T364 VanDerWaalsContact O-CB 3.3Å; G360-T364 WeakPolarHBondContact O-CB 3.24Å; G360-T364 PolarHBondContact O-OG1 2.99Å; G360-N374 VanDerWaalsContact CA-CG 3.46Å; G360-N374 VanDerWaalsContact CA-ND2 3.26Å; G360-N374 WeakPolarHBondContact CA-ND2 3.35Å
361	N	98.8	Very high	98.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-64.9	-178.4	-64	1.6	0	0	0	111.6	K199 L245 E319 W321 H356 Q357	K199-N361 PolarHBondContact NZ-O 3.33Å; L245-N361 HydrophobicContact CD1-CB 4.08Å; L245-N361 VanDerWaalsContact CD1-OD1 3.27Å; L245-N361 WeakPolarHBondContact CD1-OD1 3.41Å; L245-N361 WeakPolarHBondContact CD2-OD1 3.48Å; E319-N361 WeakPolarHBondContact CG-OD1 3.37Å; E319-N361 PolarHBondContact O-ND2 3.04Å; W321-N361 WeakPolarHBondContact CA-ND2 3.39Å; W321-N361 HydrophobicContact CB-CB 4.43Å; W321-N361 WeakPolarHBondContact CB-ND2 3.37Å; W321-N361 HydrophobicContact CD2-CB 3.61Å; W321-N361 HydrophobicContact CE3-CB 3.74Å; W321-N361 HydrophobicContact CG-CB 3.94Å; W321-N361 HydrophobicContact CH2-CB 4.39Å; W321-N361 HydrophobicContact CZ2-CB 4.25Å; W321-N361 HydrophobicContact CZ3-CB 4.14Å; W321-N361 WeakPolarHBondContact CZ3-O 3.39Å; H356-N361 WeakPolarHBondContact O-CB 3.22Å; H356-N361 PolarHBondContact O-N 2.9Å; Q357-N361 PolarHBondContact NE2-ND2 2.86Å; Q357-N361 PolarHBondContact OE1-ND2 2.96Å
362	L	98.8	Very high	98.7	Very high	4 Å²	4	6 Å²	6	2%	0.021	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-50	178.2	-176.7	64.2	0	0	0	111.1	K199 I298 W321 Q357 Y469	K199-L362 PolarHBondContact NZ-O 2.88Å; I298-L362 HydrophobicContact CG2-CD2 3.94Å; W321-L362 HydrophobicContact CH2-CB 4.22Å; W321-L362 HydrophobicContact CH2-CD1 4.19Å; W321-L362 HydrophobicContact CZ2-CB 4.28Å; W321-L362 HydrophobicContact CZ2-CD1 4.45Å; Q357-L362 WeakPolarHBondContact O-CB 3.21Å; Q357-L362 PolarHBondContact O-N 3.21Å; L362-Y469 HydrophobicContact CD1-CD1 4.03Å; L362-Y469 HydrophobicContact CD1-CD2 4.23Å; L362-Y469 HydrophobicContact CD1-CE1 3.84Å; L362-Y469 HydrophobicContact CD1-CE2 4.06Å; L362-Y469 HydrophobicContact CD1-CG 4.23Å; L362-Y469 WeakPolarHBondContact O-CA 3.26Å; L362-Y469 PolarHBondContact O-N 2.67Å
363	V	98.9	Very high	98.7	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.006	3%	0.029	C	C	.	.	B	Isolated β-bridge	trans	-119.5	119.7	172.6	-174.4	0	0	0	0	109	W358 G360 Y463 L464 F467 A472	W358-V363 PolarHBondContact O-N 3.49Å; G360-V363 CarbonylContact C-O 3.58Å; G360-V363 VanDerWaalsContact CA-O 3.27Å; G360-V363 WeakPolarHBondContact CA-O 3.47Å; G360-V363 PolarHBondContact N-O 3.09Å; V363-Y463 HydrophobicContact CB-CE1 4.25Å; V363-Y463 HydrophobicContact CG1-CE1 3.79Å; V363-Y463 HydrophobicContact CG1-CE2 4.41Å; V363-Y463 WeakPolarHBondContact CG1-OH 3.32Å; V363-L464 HydrophobicContact CB-CD2 4.22Å; V363-L464 HydrophobicContact CG2-CD2 3.8Å; V363-F467 HydrophobicContact CB-CB 4.42Å; V363-F467 HydrophobicContact CG1-CB 3.61Å; V363-F467 HydrophobicContact CG2-CB 3.94Å; V363-A472 HydrophobicContact CG1-CB 4.04Å
364	T	98.8	Very high	98.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	148	-177.4	-45.9	0	0	0	0	109.2	P196 K199 Y244 G360 G470 N471 A472	P196-T364 HydrophobicContact CB-CG2 3.95Å; K199-T364 WeakPolarHBondContact CE-OG1 3.44Å; K199-T364 PolarHBondContact NZ-OG1 3.11Å; Y244-T364 HydrophobicContact CE1-CG2 3.86Å; G360-T364 VanDerWaalsContact O-CB 3.3Å; G360-T364 WeakPolarHBondContact O-CB 3.24Å; G360-T364 PolarHBondContact O-OG1 2.99Å; T364-G470 PolarHBondContact N-O 2.82Å; T364-N471 CarbonylContact O-C 3.58Å; T364-N471 WeakPolarHBondContact O-CA 3.16Å; T364-N471 WeakPolarHBondContact O-CB 3.49Å; T364-A472 PolarHBondContact O-N 3.06Å
365	M	98.7	Very high	98.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	146.5	165	69.9	-63.5	-176.5	0	0	111.6	P196 W367 W368 D370 L371 N374 N471 A472	P196-M365 HydrophobicContact CB-CE 4.37Å; P196-M365 HydrophobicContact CG-CE 4.38Å; M365-W367 VanDerWaalsContact C-N 3.26Å; M365-W367 WeakPolarHBondContact CG-O 3.48Å; M365-W367 PolarHBondContact O-N 2.73Å; M365-W368 HydrophobicContact CE-CD2 3.82Å; M365-W368 HydrophobicContact CE-CE3 3.18Å; M365-W368 HydrophobicContact CE-CH2 3.55Å; M365-W368 HydrophobicContact CE-CZ2 4.18Å; M365-W368 HydrophobicContact CE-CZ3 3.02Å; M365-D370 HydrophobicContact CB-CB 4.22Å; M365-L371 HydrophobicContact CE-CD1 4.02Å; M365-N374 PolarHBondContact N-OD1 2.84Å; M365-N374 PolarHBondContact SD-ND2 3.14Å; M365-N374 PolarHBondContact SD-OD1 3.15Å; M365-N471 PolarHBondContact O-ND2 2.62Å; M365-A472 WeakPolarHBondContact CA-O 3.43Å
366	D	98.3	Very high	98.7	Very high	28 Å²	28	5.7 Å²	5.7	15%	0.15	3%	0.028	C	C	.	.	S	Bend	trans	-64.3	-35.5	175.7	-172.5	78.8	0	0	0	112.4	R55 S197 N471 A472 H473	R55-D366 IonicContact NH2-OD2 2.89Å; R55-D366 PolarHBondContact NH2-OD2 2.95Å; S197-D366 WeakPolarHBondContact CB-O 3.29Å; S197-D366 PolarHBondContact OG-O 3.47Å; S197-D366 VanDerWaalsContact OG-O 3.08Å; D366-N471 HydrophobicContact CB-CB 4.21Å; D366-A472 PolarHBondContact N-O 3.08Å; D366-H473 WeakPolarHBondContact CB-CE1 3.34Å; D366-H473 IonicContact OD1-CE1 3.18Å; D366-H473 IonicContact OD2-CE1 3.51Å; D366-H473 IonicContact OD2-NE2 2.71Å
367	W	98.6	Very high	98.6	Very high	24 Å²	24	5.6 Å²	5.6	9%	0.091	3%	0.028	C	C	.	.	S	Bend	trans	-154.1	159.9	178.2	-176	-113.1	0	0	0	111	E195 P196 M365 N369 D370 A422 I428	E195-W367 HydrophobicContact CB-CE3 4.44Å; E195-W367 HydrophobicContact CB-CZ3 3.89Å; E195-W367 HydrophobicContact CG-CZ3 3.9Å; P196-W367 HydrophobicContact CG-CE3 4.26Å; M365-W367 VanDerWaalsContact C-N 3.26Å; M365-W367 WeakPolarHBondContact CG-O 3.48Å; M365-W367 PolarHBondContact O-N 2.73Å; W367-N369 WeakPolarHBondContact CB-OD1 3.33Å; W367-N369 VanDerWaalsContact CD1-OD1 3.23Å; W367-N369 PolarHBondContact O-N 2.81Å; W367-D370 PolarHBondContact O-N 3.37Å; W367-D370 VanDerWaalsContact O-N 3.1Å; W367-A422 PolarHBondContact NE1-O 3.41Å; W367-I428 HydrophobicContact CH2-CD1 3.97Å; W367-I428 HydrophobicContact CZ2-CD1 3.81Å; W367-I428 HydrophobicContact CZ2-CG1 4.47Å
368	W	98.6	Very high	98.6	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.008	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-60.2	-13.5	-174	-57	107.6	0	0	0	115.3	E182 P183 P196 Y244 M365 D370 L371 I428 F432	E182-W368 HydrophobicContact CG-CH2 3.8Å; E182-W368 HydrophobicContact CG-CZ3 3.98Å; E182-W368 WeakPolarHBondContact OE1-CZ3 3.46Å; P183-W368 HydrophobicContact CB-CD2 4.2Å; P183-W368 HydrophobicContact CB-CE3 4.13Å; P183-W368 HydrophobicContact CB-CH2 3.74Å; P183-W368 HydrophobicContact CB-CZ2 3.73Å; P183-W368 HydrophobicContact CB-CZ3 3.9Å; P183-W368 WeakPolarHBondContact O-CZ2 3.47Å; P196-W368 HydrophobicContact CB-CZ2 4.49Å; P196-W368 HydrophobicContact CG-CZ2 4.14Å; Y244-W368 HydrophobicContact CD1-CH2 4.1Å; Y244-W368 HydrophobicContact CD1-CZ2 4.46Å; Y244-W368 HydrophobicContact CE1-CH2 4.4Å; Y244-W368 HydrophobicContact CG-CH2 4.17Å; M365-W368 HydrophobicContact CE-CD2 3.82Å; M365-W368 HydrophobicContact CE-CE3 3.18Å; M365-W368 HydrophobicContact CE-CH2 3.55Å; M365-W368 HydrophobicContact CE-CZ2 4.18Å; M365-W368 HydrophobicContact CE-CZ3 3.02Å; W368-D370 PolarHBondContact O-N 3.01Å; W368-L371 HydrophobicContact CE3-CD1 4.01Å; W368-L371 HydrophobicContact CZ3-CD1 4.03Å; W368-L371 WeakPolarHBondContact O-CB 3.44Å; W368-L371 PolarHBondContact O-N 3.27Å; W368-I428 HydrophobicContact CB-CB 4.41Å; W368-I428 HydrophobicContact CB-CG1 4Å; W368-I428 HydrophobicContact CB-CG2 3.75Å; W368-I428 HydrophobicContact CD2-CG2 3.54Å; W368-I428 HydrophobicContact CE3-CG2 3.98Å; W368-I428 HydrophobicContact CG-CB 4.32Å; W368-I428 HydrophobicContact CG-CD1 4.19Å; W368-I428 HydrophobicContact CG-CG1 3.99Å; W368-I428 HydrophobicContact CG-CG2 3.38Å; W368-F432 HydrophobicContact CE3-CE2 4.37Å; W368-F432 HydrophobicContact CE3-CZ 4.14Å; W368-F432 HydrophobicContact CZ3-CE2 4.42Å; W368-F432 AromaticContact CZ3-CZ 3.8Å; W368-F432 HydrophobicContact CZ3-CZ 3.8Å
369	N	98	Very high	98.6	Very high	41 Å²	41	6.5 Å²	6.5	22%	0.219	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-61.6	-27.8	173.3	65.4	-80.4	0	0	0	112.5	W367 S419 S420	W367-N369 WeakPolarHBondContact CB-OD1 3.33Å; W367-N369 VanDerWaalsContact CD1-OD1 3.23Å; W367-N369 PolarHBondContact O-N 2.81Å; N369-S419 VanDerWaalsContact O-CA 3.3Å; N369-S419 WeakPolarHBondContact O-CA 3.39Å; N369-S419 PolarHBondContact O-OG 3.28Å; N369-S420 WeakPolarHBondContact CA-O 3.5Å; N369-S420 VanDerWaalsContact CB-O 3.22Å; N369-S420 WeakPolarHBondContact CB-O 3.46Å; N369-S420 PolarHBondContact O-N 2.93Å
370	D	98.5	Very high	98.6	Very high	8 Å²	8	6.5 Å²	6.5	4%	0.043	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-109.1	27.1	179.3	-72.4	-16.2	0	0	0	112	M365 W367 W368 W372 L373 S419 N474	M365-D370 HydrophobicContact CB-CB 4.22Å; W367-D370 PolarHBondContact O-N 3.37Å; W367-D370 VanDerWaalsContact O-N 3.1Å; W368-D370 PolarHBondContact O-N 3.01Å; D370-W372 PolarHBondContact O-N 2.91Å; D370-L373 HydrophobicContact CB-CD1 3.93Å; D370-L373 HydrophobicContact CB-CG 4.23Å; D370-L373 WeakPolarHBondContact O-CB 3.23Å; D370-L373 WeakPolarHBondContact O-CG 3.28Å; D370-L373 PolarHBondContact O-N 3.25Å; D370-S419 WeakPolarHBondContact OD1-CB 3.46Å; D370-S419 PolarHBondContact OD1-OG 2.87Å; D370-N474 VanDerWaalsContact CG-CG 3.44Å; D370-N474 VanDerWaalsContact OD1-CG 3.24Å; D370-N474 PolarHBondContact OD1-ND2 3.25Å; D370-N474 PolarHBondContact OD1-OD1 3.47Å; D370-N474 PolarHBondContact OD2-N 3.19Å; D370-N474 VanDerWaalsContact OD2-N 3.12Å; D370-N474 PolarHBondContact OD2-OD1 2.48Å
371	L	98.5	Very high	98.6	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-31.5	178.3	174.6	64	0	0	0	113.4	M365 W368 L373 N374 E375 M431 F432	M365-L371 HydrophobicContact CE-CD1 4.02Å; W368-L371 HydrophobicContact CE3-CD1 4.01Å; W368-L371 HydrophobicContact CZ3-CD1 4.03Å; W368-L371 WeakPolarHBondContact O-CB 3.44Å; W368-L371 PolarHBondContact O-N 3.27Å; L371-L373 PolarHBondContact O-N 3.45Å; L371-L373 VanDerWaalsContact O-N 3.11Å; L371-N374 WeakPolarHBondContact O-CB 3.44Å; L371-N374 PolarHBondContact O-N 3.41Å; L371-E375 HydrophobicContact CD1-CG 3.7Å; L371-E375 HydrophobicContact CD2-CG 4.23Å; L371-E375 HydrophobicContact CG-CG 3.7Å; L371-E375 PolarHBondContact O-N 3.45Å; L371-M431 HydrophobicContact CD2-CB 3.75Å; L371-F432 HydrophobicContact CD1-CE1 3.91Å; L371-F432 HydrophobicContact CD1-CZ 3.91Å; L371-F432 HydrophobicContact CD2-CD1 3.75Å; L371-F432 HydrophobicContact CD2-CD2 3.73Å; L371-F432 HydrophobicContact CD2-CE1 3.7Å; L371-F432 HydrophobicContact CD2-CE2 3.68Å; L371-F432 HydrophobicContact CD2-CG 3.77Å; L371-F432 HydrophobicContact CD2-CZ 3.67Å; L371-F432 HydrophobicContact CG-CE1 4.42Å; L371-F432 HydrophobicContact CG-CZ 4.46Å
372	W	98.7	Very high	98.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-59.9	-20	177.1	82.7	-77.3	0	0	0	114.2	D370 N374 G376 I418 L444 N474 L477 W478 T524	D370-W372 PolarHBondContact O-N 2.91Å; W372-N374 PolarHBondContact O-N 3.21Å; W372-G376 VanDerWaalsContact O-CA 3.23Å; W372-G376 WeakPolarHBondContact O-CA 3.16Å; W372-G376 PolarHBondContact O-N 2.77Å; W372-I418 HydrophobicContact CB-CG2 3.4Å; W372-I418 VanDerWaalsContact CB-CG2 3.4Å; W372-I418 HydrophobicContact CD2-CG2 3.49Å; W372-I418 VanDerWaalsContact CD2-CG2 3.49Å; W372-I418 HydrophobicContact CE3-CG2 4.04Å; W372-I418 HydrophobicContact CG-CG2 3.16Å; W372-L444 HydrophobicContact CZ3-CD2 4.26Å; W372-L444 HydrophobicContact CZ3-CG 4.32Å; W372-N474 PolarHBondContact NE1-OD1 2.81Å; W372-L477 HydrophobicContact CH2-CD2 3.72Å; W372-L477 HydrophobicContact CZ2-CD2 4.25Å; W372-W478 AromaticContact CH2-CH2 3.51Å; W372-W478 HydrophobicContact CH2-CH2 3.51Å; W372-W478 AromaticContact CH2-CZ2 3.82Å; W372-W478 HydrophobicContact CH2-CZ2 3.82Å; W372-W478 HydrophobicContact CH2-CZ3 4.47Å; W372-W478 HydrophobicContact CZ2-CH2 4.09Å; W372-W478 AromaticContact CZ2-CZ2 3.91Å; W372-W478 HydrophobicContact CZ2-CZ2 3.91Å; W372-T524 HydrophobicContact CH2-CG2 4.11Å; W372-T524 HydrophobicContact CZ2-CG2 3.81Å
373	L	98.8	Very high	98.5	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-64.5	-28.1	172.2	-68	178.8	0	0	0	112	D370 L371 F377 L477	D370-L373 HydrophobicContact CB-CD1 3.93Å; D370-L373 HydrophobicContact CB-CG 4.23Å; D370-L373 WeakPolarHBondContact O-CB 3.23Å; D370-L373 WeakPolarHBondContact O-CG 3.28Å; D370-L373 PolarHBondContact O-N 3.25Å; L371-L373 PolarHBondContact O-N 3.45Å; L371-L373 VanDerWaalsContact O-N 3.11Å; L373-F377 VanDerWaalsContact O-CD2 3.3Å; L373-F377 WeakPolarHBondContact O-CD2 3.3Å; L373-L477 HydrophobicContact CD2-CB 4.27Å; L373-L477 HydrophobicContact CD2-CD2 3.8Å
374	N	98.8	Very high	98.5	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-85.1	-63.7	168.2	-62.4	20.3	0	0	0	108.6	Y244 G360 M365 L371 W372 F377 A378	Y244-N374 PolarHBondContact OH-ND2 3.18Å; G360-N374 VanDerWaalsContact CA-CG 3.46Å; G360-N374 VanDerWaalsContact CA-ND2 3.26Å; G360-N374 WeakPolarHBondContact CA-ND2 3.35Å; M365-N374 PolarHBondContact N-OD1 2.84Å; M365-N374 PolarHBondContact SD-ND2 3.14Å; M365-N374 PolarHBondContact SD-OD1 3.15Å; L371-N374 WeakPolarHBondContact O-CB 3.44Å; L371-N374 PolarHBondContact O-N 3.41Å; W372-N374 PolarHBondContact O-N 3.21Å; N374-F377 PolarHBondContact O-N 2.74Å; N374-A378 PolarHBondContact O-N 2.87Å
375	E	98.7	Very high	98.5	Very high	4 Å²	4	7.2 Å²	7.2	2%	0.019	3%	0.034	C	C	.	.	H	α-helix	trans	-74.2	-38.1	-163	-63.8	-66.4	-164.2	0	0	114.4	H352 H356 L371 F377 R379 Y437	H352-E375 IonicContact CE1-OE2 2.73Å; H352-E375 IonicContact NE2-OE2 3.77Å; H352-E375 PolarHBondContact NE2-OE2 3.17Å; H356-E375 IonicContact CE1-OE2 3.59Å; H356-E375 PolarHBondContact CE1-OE2 2.7Å; H356-E375 IonicContact NE2-OE2 2.72Å; H356-E375 PolarHBondContact NE2-OE2 3.12Å; L371-E375 HydrophobicContact CD1-CG 3.7Å; L371-E375 HydrophobicContact CD2-CG 4.23Å; L371-E375 HydrophobicContact CG-CG 3.7Å; L371-E375 PolarHBondContact O-N 3.45Å; E375-F377 VanDerWaalsContact C-N 3.31Å; E375-R379 WeakPolarHBondContact O-CB 3.19Å; E375-R379 PolarHBondContact O-N 3.46Å; E375-Y437 HydrophobicContact CB-CD1 4.01Å; E375-Y437 HydrophobicContact CB-CD2 4.15Å; E375-Y437 HydrophobicContact CB-CE1 3.98Å; E375-Y437 HydrophobicContact CB-CE2 4.12Å; E375-Y437 HydrophobicContact CB-CG 4.12Å; E375-Y437 HydrophobicContact CG-CE1 4.08Å; E375-Y437 HydrophobicContact CG-CE2 4Å; E375-Y437 PolarHBondContact OE1-OH 3.41Å; E375-Y437 WeakPolarHBondContact OE2-CE1 3.38Å; E375-Y437 PolarHBondContact OE2-OH 3.23Å
376	G	98.7	Very high	98.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-66.8	-36.2	174.6	0	0	0	0	0	111.4	W372 Y380 S436 L444	W372-G376 VanDerWaalsContact O-CA 3.23Å; W372-G376 WeakPolarHBondContact O-CA 3.16Å; W372-G376 PolarHBondContact O-N 2.77Å; G376-Y380 WeakPolarHBondContact O-CB 3.03Å; G376-Y380 PolarHBondContact O-N 3.32Å; G376-S436 VanDerWaalsContact CA-O 3.28Å; G376-S436 WeakPolarHBondContact CA-O 3.49Å; G376-S436 PolarHBondContact N-O 2.81Å; G376-L444 WeakPolarHBondContact O-CD1 3.5Å
377	F	98.8	Very high	98.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-73.2	-48	176.1	-92.1	-83.9	0	0	0	112.8	F359 L373 N374 E375 R379 Y380 M381 L444 F456 I460 L477	F359-F377 HydrophobicContact CB-CB 3.79Å; F359-F377 HydrophobicContact CD1-CB 3.68Å; F359-F377 AromaticContact CD1-CD1 3.73Å; F359-F377 HydrophobicContact CD1-CD1 3.73Å; F359-F377 HydrophobicContact CD1-CD2 4.15Å; F359-F377 HydrophobicContact CD1-CE1 4.43Å; F359-F377 AromaticContact CD1-CG 3.57Å; F359-F377 HydrophobicContact CD1-CG 3.57Å; F359-F377 HydrophobicContact CD2-CB 4.03Å; F359-F377 HydrophobicContact CD2-CD1 4.24Å; F359-F377 HydrophobicContact CD2-CG 4.43Å; F359-F377 HydrophobicContact CE1-CB 4.23Å; F359-F377 AromaticContact CE1-CD1 3.36Å; F359-F377 HydrophobicContact CE1-CD1 3.36Å; F359-F377 HydrophobicContact CE1-CD2 4.29Å; F359-F377 AromaticContact CE1-CE1 3.7Å; F359-F377 HydrophobicContact CE1-CE1 3.7Å; F359-F377 AromaticContact CE1-CG 3.69Å; F359-F377 HydrophobicContact CE1-CG 3.69Å; F359-F377 HydrophobicContact CE1-CZ 4.29Å; F359-F377 AromaticContact CE2-CD1 3.89Å; F359-F377 HydrophobicContact CE2-CD1 3.89Å; F359-F377 HydrophobicContact CG-CB 3.57Å; F359-F377 HydrophobicContact CG-CD1 4.16Å; F359-F377 AromaticContact CG-CG 3.97Å; F359-F377 HydrophobicContact CG-CG 3.97Å; F359-F377 AromaticContact CZ-CD1 3.44Å; F359-F377 HydrophobicContact CZ-CD1 3.44Å; F359-F377 VanDerWaalsContact CZ-CD1 3.44Å; F359-F377 AromaticContact CZ-CE1 3.82Å; F359-F377 HydrophobicContact CZ-CE1 3.82Å; F359-F377 HydrophobicContact CZ-CG 4.17Å; L373-F377 VanDerWaalsContact O-CD2 3.3Å; L373-F377 WeakPolarHBondContact O-CD2 3.3Å; N374-F377 PolarHBondContact O-N 2.74Å; E375-F377 VanDerWaalsContact C-N 3.31Å; F377-R379 VanDerWaalsContact C-N 3.3Å; F377-R379 PolarHBondContact O-N 2.85Å; F377-Y380 PolarHBondContact O-N 3.47Å; F377-M381 WeakPolarHBondContact O-CB 3.29Å; F377-M381 WeakPolarHBondContact O-CG 3.48Å; F377-M381 PolarHBondContact O-N 3.07Å; F377-L444 HydrophobicContact CB-CD1 4.44Å; F377-L444 HydrophobicContact CD1-CD1 3.91Å; F377-L444 HydrophobicContact CD2-CD1 3.78Å; F377-L444 HydrophobicContact CE1-CD1 4Å; F377-L444 HydrophobicContact CE1-CD2 4.02Å; F377-L444 HydrophobicContact CE2-CD1 3.88Å; F377-L444 HydrophobicContact CE2-CD2 3.81Å; F377-L444 HydrophobicContact CE2-CG 4.48Å; F377-L444 HydrophobicContact CG-CD1 3.8Å; F377-L444 HydrophobicContact CZ-CD1 3.99Å; F377-L444 HydrophobicContact CZ-CD2 3.5Å; F377-L444 HydrophobicContact CZ-CG 4.42Å; F377-F456 HydrophobicContact CE1-CZ 4.27Å; F377-I460 HydrophobicContact CE1-CG2 3.79Å; F377-I460 HydrophobicContact CZ-CG2 4.31Å; F377-L477 HydrophobicContact CE2-CD1 4.09Å; F377-L477 HydrophobicContact CE2-CD2 3.55Å; F377-L477 HydrophobicContact CE2-CG 4.47Å; F377-L477 HydrophobicContact CZ-CD1 3.72Å; F377-L477 HydrophobicContact CZ-CD2 3.82Å; F377-L477 HydrophobicContact CZ-CG 4.41Å
378	A	98.8	Very high	98.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.4	-43.8	176.4	0	0	0	0	0	111	A355 H356 N374 Y380 M381 E382	A355-A378 HydrophobicContact CB-CB 4.26Å; H356-A378 WeakPolarHBondContact CE1-CB 3.27Å; H356-A378 VanDerWaalsContact NE2-CB 3.26Å; H356-A378 WeakPolarHBondContact NE2-CB 3.28Å; N374-A378 PolarHBondContact O-N 2.87Å; A378-Y380 PolarHBondContact O-N 2.86Å; A378-M381 PolarHBondContact O-N 3.28Å; A378-E382 PolarHBondContact O-N 3.33Å
379	R	98.4	Very high	98.4	Very high	22 Å²	22	12.2 Å²	12.2	8%	0.083	7%	0.069	C	C	.	.	H	α-helix	trans	-61.6	-28.5	172	-179.7	51.9	67.8	93.7	26.9	113.2	M1 H352 E375 F377 E382 Y383 Y437 D438 A441	M1-R379 PolarHBondContact SD-NH2 3.11Å; H352-R379 PolarHBondContact CE1-N 3.46Å; H352-R379 PolarHBondContact ND1-N 3.2Å; E375-R379 WeakPolarHBondContact O-CB 3.19Å; E375-R379 PolarHBondContact O-N 3.46Å; F377-R379 VanDerWaalsContact C-N 3.3Å; F377-R379 PolarHBondContact O-N 2.85Å; R379-E382 WeakPolarHBondContact CD-OE1 3.07Å; R379-E382 WeakPolarHBondContact CD-OE2 3.19Å; R379-E382 IonicContact NE-OE1 3.86Å; R379-E382 PolarHBondContact NE-OE1 2.9Å; R379-E382 IonicContact NE-OE2 2.6Å; R379-E382 PolarHBondContact NE-OE2 2.98Å; R379-E382 WeakPolarHBondContact O-CG 3.11Å; R379-Y383 WeakPolarHBondContact O-CD2 3.36Å; R379-Y383 WeakPolarHBondContact O-CE2 3.47Å; R379-Y437 HydrophobicContact CB-CD1 4.41Å; R379-Y437 WeakPolarHBondContact CG-O 3.43Å; R379-D438 IonicContact CZ-OD1 3.53Å; R379-D438 IonicContact NH1-OD1 3.83Å; R379-D438 PolarHBondContact NH1-OD1 3.22Å; R379-D438 IonicContact NH2-OD1 2.84Å; R379-A441 HydrophobicContact CB-CB 4.04Å; R379-A441 HydrophobicContact CG-CB 3.61Å
380	Y	98.6	Very high	98.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-81.9	-40.3	175.6	-168.9	-129.1	0	0	0	112.1	G376 F377 A378 E382 Y383 I384 L399 A441 L444 H445 R448 F456	G376-Y380 WeakPolarHBondContact O-CB 3.03Å; G376-Y380 PolarHBondContact O-N 3.32Å; F377-Y380 PolarHBondContact O-N 3.47Å; A378-Y380 PolarHBondContact O-N 2.86Å; Y380-E382 VanDerWaalsContact C-N 3.34Å; Y380-E382 PolarHBondContact O-N 2.99Å; Y380-Y383 PolarHBondContact O-N 3.46Å; Y380-I384 HydrophobicContact CD1-CG1 4.49Å; Y380-I384 HydrophobicContact CE1-CD1 4.3Å; Y380-I384 HydrophobicContact CE1-CG1 4.2Å; Y380-I384 HydrophobicContact CE2-CD1 4.49Å; Y380-I384 PolarHBondContact O-N 3.1Å; Y380-L399 HydrophobicContact CE2-CD2 4.4Å; Y380-A441 HydrophobicContact CD2-CB 4.31Å; Y380-A441 WeakPolarHBondContact CD2-O 3.26Å; Y380-L444 HydrophobicContact CD1-CB 3.74Å; Y380-L444 HydrophobicContact CD1-CD1 4.42Å; Y380-L444 HydrophobicContact CE1-CB 4.23Å; Y380-L444 HydrophobicContact CG-CB 3.96Å; Y380-L444 HydrophobicContact CG-CD1 4.46Å; Y380-H445 HydrophobicContact CD2-CB 4.35Å; Y380-H445 HydrophobicContact CE2-CB 3.61Å; Y380-H445 AromaticContact CE2-ND1 3.73Å; Y380-H445 AromaticContact CZ-ND1 3.96Å; Y380-H445 PolarHBondContact OH-ND1 3.4Å; Y380-R448 HydrophobicContact CE1-CB 4.44Å; Y380-R448 WeakPolarHBondContact OH-CD 3.3Å; Y380-F456 HydrophobicContact CD1-CE1 4.38Å; Y380-F456 HydrophobicContact CD1-CZ 4.21Å; Y380-F456 HydrophobicContact CE1-CE1 4Å; Y380-F456 HydrophobicContact CE1-CZ 4.05Å
381	M	98.6	Very high	98.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-70.5	-25	-177.5	-73.1	-52.5	-48.3	0	0	113.4	F291 Y292 Y295 F296 A355 F359 F377 A378 Y383 I384 S385	F291-M381 HydrophobicContact CE1-CE 4.27Å; Y292-M381 HydrophobicContact CD1-CE 4.14Å; Y292-M381 HydrophobicContact CE1-CB 4.07Å; Y292-M381 HydrophobicContact CE1-CE 3.64Å; Y292-M381 PolarHBondContact OH-O 2.81Å; Y295-M381 HydrophobicContact CD1-CE 3.67Å; Y295-M381 HydrophobicContact CE1-CE 3.5Å; Y295-M381 HydrophobicContact CE1-SD 3.99Å; F296-M381 HydrophobicContact CE1-CE 3.96Å; F296-M381 HydrophobicContact CE1-SD 4.1Å; F296-M381 HydrophobicContact CZ-CE 3.69Å; F296-M381 HydrophobicContact CZ-CG 4.08Å; F296-M381 HydrophobicContact CZ-SD 4.04Å; A355-M381 HydrophobicContact CB-CB 3.62Å; A355-M381 HydrophobicContact CB-CG 4.38Å; F359-M381 HydrophobicContact CD2-CG 4.33Å; F359-M381 HydrophobicContact CE2-CG 4.12Å; F377-M381 WeakPolarHBondContact O-CB 3.29Å; F377-M381 WeakPolarHBondContact O-CG 3.48Å; F377-M381 PolarHBondContact O-N 3.07Å; A378-M381 PolarHBondContact O-N 3.28Å; M381-Y383 VanDerWaalsContact C-N 3.28Å; M381-Y383 PolarHBondContact O-N 3.38Å; M381-I384 HydrophobicContact CE-CB 3.88Å; M381-I384 HydrophobicContact CE-CG2 3.82Å; M381-I384 PolarHBondContact O-N 3Å; M381-I384 HydrophobicContact SD-CB 4.34Å; M381-I384 HydrophobicContact SD-CG1 4.38Å; M381-S385 VanDerWaalsContact O-CB 3.32Å; M381-S385 WeakPolarHBondContact O-CB 2.81Å; M381-S385 PolarHBondContact O-N 3.18Å; M381-S385 PolarHBondContact O-OG 2.91Å
382	E	97.4	Very high	98.1	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-57.7	-41	168.8	67.9	-174	-139.6	0	0	111.3	M348 H352 A378 R379 Y380 S385 V386	M348-E382 HydrophobicContact CE-CB 4.25Å; M348-E382 HydrophobicContact CE-CG 3.6Å; M348-E382 WeakPolarHBondContact CE-OE1 3.48Å; M348-E382 HydrophobicContact SD-CB 4.11Å; M348-E382 HydrophobicContact SD-CG 4.11Å; H352-E382 HydrophobicContact CB-CB 4.43Å; H352-E382 IonicContact CE1-OE2 3.69Å; H352-E382 IonicContact CG-OE2 2.71Å; H352-E382 IonicContact ND1-OE2 3.31Å; H352-E382 PolarHBondContact ND1-OE2 3.11Å; A378-E382 PolarHBondContact O-N 3.33Å; R379-E382 WeakPolarHBondContact CD-OE1 3.07Å; R379-E382 WeakPolarHBondContact CD-OE2 3.19Å; R379-E382 IonicContact NE-OE1 3.86Å; R379-E382 PolarHBondContact NE-OE1 2.9Å; R379-E382 IonicContact NE-OE2 2.6Å; R379-E382 PolarHBondContact NE-OE2 2.98Å; R379-E382 WeakPolarHBondContact O-CG 3.11Å; Y380-E382 VanDerWaalsContact C-N 3.34Å; Y380-E382 PolarHBondContact O-N 2.99Å; E382-S385 PolarHBondContact O-OG 2.87Å; E382-V386 VanDerWaalsContact O-CB 3.25Å; E382-V386 WeakPolarHBondContact O-CB 3.29Å; E382-V386 WeakPolarHBondContact O-CG2 3.28Å; E382-V386 PolarHBondContact O-N 3.31Å
383	Y	98.1	Very high	97.9	Very high	10 Å²	10	20.4 Å²	20.4	4%	0.039	11%	0.114	C	C	.	.	H	α-helix	trans	-68.5	-44.9	177.5	-64.1	-82.1	0	0	0	111.3	M348 R379 Y380 M381 E387 V395 L399 T402	M348-Y383 HydrophobicContact CE-CD1 3.94Å; M348-Y383 HydrophobicContact CE-CE1 3.53Å; M348-Y383 HydrophobicContact CE-CE2 4.21Å; M348-Y383 HydrophobicContact CE-CG 4.41Å; R379-Y383 WeakPolarHBondContact O-CD2 3.36Å; R379-Y383 WeakPolarHBondContact O-CE2 3.47Å; Y380-Y383 PolarHBondContact O-N 3.46Å; M381-Y383 VanDerWaalsContact C-N 3.28Å; M381-Y383 PolarHBondContact O-N 3.38Å; Y383-E387 WeakPolarHBondContact O-CB 3.3Å; Y383-E387 PolarHBondContact O-N 3.44Å; Y383-V395 HydrophobicContact CD1-CB 4.45Å; Y383-V395 HydrophobicContact CD1-CG1 4.4Å; Y383-V395 HydrophobicContact CD1-CG2 3.54Å; Y383-V395 HydrophobicContact CE1-CG2 3.98Å; Y383-V395 HydrophobicContact CG-CG2 4.44Å; Y383-V395 WeakPolarHBondContact O-CG1 3.25Å; Y383-L399 HydrophobicContact CD1-CB 3.59Å; Y383-L399 HydrophobicContact CD1-CD1 4.34Å; Y383-L399 HydrophobicContact CD1-CG 4.41Å; Y383-L399 HydrophobicContact CD2-CD1 3.84Å; Y383-L399 VanDerWaalsContact CE1-CA 3.44Å; Y383-L399 HydrophobicContact CE1-CB 3.67Å; Y383-L399 HydrophobicContact CE1-CD1 4.33Å; Y383-L399 VanDerWaalsContact CE1-N 3.3Å; Y383-L399 HydrophobicContact CE2-CD1 3.84Å; Y383-L399 HydrophobicContact CG-CB 4.13Å; Y383-L399 HydrophobicContact CG-CD1 4.14Å; Y383-L399 HydrophobicContact CG-CG 4.49Å; Y383-T402 PolarHBondContact OH-OG1 3.3Å
384	I	98.2	Very high	97.7	Very high	9 Å²	9	25.1 Å²	25.1	5%	0.046	14%	0.135	C	C	.	.	H	α-helix	trans	-64.2	-45.9	-178.6	-59.8	-59	0	0	0	111	F291 Y295 Y380 M381 A388	F291-I384 HydrophobicContact CZ-CG2 4.03Å; Y295-I384 HydrophobicContact CE1-CG2 4.48Å; Y295-I384 HydrophobicContact CE2-CG2 4.1Å; Y380-I384 HydrophobicContact CD1-CG1 4.49Å; Y380-I384 HydrophobicContact CE1-CD1 4.3Å; Y380-I384 HydrophobicContact CE1-CG1 4.2Å; Y380-I384 HydrophobicContact CE2-CD1 4.49Å; Y380-I384 PolarHBondContact O-N 3.1Å; M381-I384 HydrophobicContact CE-CB 3.88Å; M381-I384 HydrophobicContact CE-CG2 3.82Å; M381-I384 PolarHBondContact O-N 3Å; M381-I384 HydrophobicContact SD-CB 4.34Å; M381-I384 HydrophobicContact SD-CG1 4.38Å; I384-A388 WeakPolarHBondContact O-CB 3.28Å; I384-A388 PolarHBondContact O-N 2.84Å; I384-A388 VanDerWaalsContact O-N 3.09Å
385	S	98.3	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.1	-43.1	179.8	61.6	0	0	0	0	112.2	F291 Y292 M381 E382 A388 T389	F291-S385 VanDerWaalsContact CE1-CA 3.48Å; Y292-S385 VanDerWaalsContact OH-CB 3.28Å; Y292-S385 WeakPolarHBondContact OH-CB 2.98Å; Y292-S385 PolarHBondContact OH-OG 2.81Å; M381-S385 VanDerWaalsContact O-CB 3.32Å; M381-S385 WeakPolarHBondContact O-CB 2.81Å; M381-S385 PolarHBondContact O-N 3.18Å; M381-S385 PolarHBondContact O-OG 2.91Å; E382-S385 PolarHBondContact O-OG 2.87Å; S385-A388 PolarHBondContact O-N 2.77Å; S385-T389 WeakPolarHBondContact O-CB 3.43Å; S385-T389 WeakPolarHBondContact O-CG2 3.35Å; S385-T389 PolarHBondContact O-N 3Å; S385-T389 PolarHBondContact O-OG1 3.14Å
386	V	98.4	Very high	97	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.6	-38.8	178	175.3	0	0	0	0	111.2	M288 L344 T347 M348 E382 A388 Y390 L393 V395	M288-V386 HydrophobicContact CE-CB 4.44Å; M288-V386 HydrophobicContact CE-CG2 3.39Å; L344-V386 HydrophobicContact CD1-CG1 4.44Å; T347-V386 HydrophobicContact CG2-CG2 3.96Å; M348-V386 HydrophobicContact CG-CG2 4.41Å; M348-V386 HydrophobicContact SD-CB 4.16Å; M348-V386 HydrophobicContact SD-CG1 4.48Å; M348-V386 HydrophobicContact SD-CG2 3.69Å; E382-V386 VanDerWaalsContact O-CB 3.25Å; E382-V386 WeakPolarHBondContact O-CB 3.29Å; E382-V386 WeakPolarHBondContact O-CG2 3.28Å; E382-V386 PolarHBondContact O-N 3.31Å; V386-A388 VanDerWaalsContact C-N 3.33Å; V386-A388 PolarHBondContact O-N 3.26Å; V386-Y390 CarbonylContact O-C 3.5Å; V386-Y390 VanDerWaalsContact O-CA 3.28Å; V386-Y390 WeakPolarHBondContact O-CA 3.33Å; V386-Y390 PolarHBondContact O-N 3.29Å; V386-L393 HydrophobicContact CG1-CB 4.26Å; V386-L393 HydrophobicContact CG1-CD1 4.17Å; V386-V395 HydrophobicContact CB-CB 4.18Å; V386-V395 HydrophobicContact CB-CG1 4.11Å; V386-V395 HydrophobicContact CB-CG2 4.15Å; V386-V395 HydrophobicContact CG1-CB 3.73Å; V386-V395 HydrophobicContact CG1-CG1 4.05Å; V386-V395 HydrophobicContact CG1-CG2 3.98Å
387	E	97.3	Very high	96.6	Very high	89 Å²	89	26.9 Å²	26.9	42%	0.416	14%	0.144	S	C	.	.	H	α-helix	trans	-60.5	-43.4	174.9	-176.7	170.6	-143.1	0	0	111.3	Y383 P391 V395	Y383-E387 WeakPolarHBondContact O-CB 3.3Å; Y383-E387 PolarHBondContact O-N 3.44Å; E387-P391 WeakPolarHBondContact O-CB 3.49Å; E387-V395 HydrophobicContact CB-CG1 3.9Å
388	A	97.6	Very high	96.2	Very high	59 Å²	59	28.7 Å²	28.7	49%	0.488	15%	0.151	S	C	.	.	H	α-helix	trans	-73	-41.3	179.6	0	0	0	0	0	113.4	F291 I384 S385 V386	F291-A388 HydrophobicContact CD2-CB 3.82Å; F291-A388 HydrophobicContact CE2-CB 3.34Å; F291-A388 HydrophobicContact CZ-CB 3.96Å; I384-A388 WeakPolarHBondContact O-CB 3.28Å; I384-A388 PolarHBondContact O-N 2.84Å; I384-A388 VanDerWaalsContact O-N 3.09Å; S385-A388 PolarHBondContact O-N 2.77Å; V386-A388 VanDerWaalsContact C-N 3.33Å; V386-A388 PolarHBondContact O-N 3.26Å
389	T	98.3	Very high	96	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-95.2	-32	-171.1	60.2	0	0	0	0	113.4	K287 F291 S385	K287-T389 VanDerWaalsContact CE-O 3.3Å; K287-T389 WeakPolarHBondContact CE-O 3.19Å; K287-T389 HydrophobicContact CG-CG2 4.15Å; K287-T389 PolarHBondContact NZ-O 2.82Å; F291-T389 HydrophobicContact CB-CG2 3.7Å; F291-T389 HydrophobicContact CD2-CG2 4.2Å; F291-T389 HydrophobicContact CG-CG2 3.93Å; S385-T389 WeakPolarHBondContact O-CB 3.43Å; S385-T389 WeakPolarHBondContact O-CG2 3.35Å; S385-T389 PolarHBondContact O-N 3Å; S385-T389 PolarHBondContact O-OG1 3.14Å
390	Y	97.7	Very high	95.7	Very high	19 Å²	19	28.8 Å²	28.8	8%	0.075	15%	0.153	C	C	.	.			trans	-134.4	59.3	-178.5	-68.1	-84.7	0	0	0	111.8	E283 V284 K287 M288 T347 V386 I392 L393	E283-Y390 PolarHBondContact OE1-OH 3.48Å; V284-Y390 WeakPolarHBondContact CA-OH 3.24Å; V284-Y390 HydrophobicContact CB-CE2 4.35Å; V284-Y390 HydrophobicContact CG1-CE2 4.24Å; V284-Y390 HydrophobicContact CG2-CE2 3.96Å; K287-Y390 HydrophobicContact CD-CE2 3.96Å; M288-Y390 HydrophobicContact CE-CD2 4.46Å; T347-Y390 HydrophobicContact CG2-CD2 3.79Å; T347-Y390 HydrophobicContact CG2-CE2 4.25Å; T347-Y390 HydrophobicContact CG2-CG 4.28Å; V386-Y390 CarbonylContact O-C 3.5Å; V386-Y390 VanDerWaalsContact O-CA 3.28Å; V386-Y390 WeakPolarHBondContact O-CA 3.33Å; V386-Y390 PolarHBondContact O-N 3.29Å; Y390-I392 PolarHBondContact O-N 2.99Å; Y390-L393 HydrophobicContact CG-CD1 4.32Å; Y390-L393 WeakPolarHBondContact O-CB 3.38Å; Y390-L393 PolarHBondContact O-N 2.87Å
391	P	96.3	Very high	95.4	Very high	82 Å²	82	31.5 Å²	31.5	53%	0.532	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-59.3	-21	-176.5	23.6	-35.1	0	0	0	114	E387 L393 K394	E387-P391 WeakPolarHBondContact O-CB 3.49Å; P391-L393 PolarHBondContact O-N 2.94Å; P391-K394 PolarHBondContact O-N 3.4Å
392	I	94.8	Very high	95.2	Very high	116 Å²	116	32.1 Å²	32.1	60%	0.595	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-61.6	-25.7	174.5	-167.5	61	0	0	0	112.6	Y390 K394 V727	Y390-I392 PolarHBondContact O-N 2.99Å; I392-K394 VanDerWaalsContact C-N 3.3Å; I392-K394 PolarHBondContact O-N 2.96Å; I392-V727 WeakPolarHBondContact O-CG2 3.29Å
393	L	95.8	Very high	95.1	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-79.1	-5.6	-178.4	-64.2	-179.6	0	0	0	114.4	I340 L344 T347 V386 Y390 P391 V395 V727	I340-L393 HydrophobicContact CD1-CD2 4.28Å; L344-L393 HydrophobicContact CD1-CB 4.04Å; L344-L393 HydrophobicContact CD1-CD1 4.2Å; T347-L393 HydrophobicContact CG2-CD1 3.89Å; V386-L393 HydrophobicContact CG1-CB 4.26Å; V386-L393 HydrophobicContact CG1-CD1 4.17Å; Y390-L393 HydrophobicContact CG-CD1 4.32Å; Y390-L393 WeakPolarHBondContact O-CB 3.38Å; Y390-L393 PolarHBondContact O-N 2.87Å; P391-L393 PolarHBondContact O-N 2.94Å; L393-V395 VanDerWaalsContact C-N 3.28Å; L393-V395 PolarHBondContact O-N 3.45Å; L393-V727 HydrophobicContact CD2-CG2 4.08Å
394	K	93.3	Very high	95	Very high	99 Å²	99	32.4 Å²	32.4	43%	0.43	17%	0.172	S	C	.	.			trans	50.6	44.1	172.7	-60.4	-60.5	-173	-179.3	0	114	P391 I392 D396 E397	P391-K394 PolarHBondContact O-N 3.4Å; I392-K394 VanDerWaalsContact C-N 3.3Å; I392-K394 PolarHBondContact O-N 2.96Å; K394-D396 PolarHBondContact O-N 2.84Å; K394-D396 VanDerWaalsContact O-N 3.13Å; K394-E397 HydrophobicContact CB-CG 4.27Å; K394-E397 WeakPolarHBondContact O-CB 3.32Å; K394-E397 PolarHBondContact O-N 2.93Å; K394-E397 VanDerWaalsContact O-N 3.11Å
395	V	94	Very high	94.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.1	-173.6	76.5	0	0	0	0	113.5	L344 M348 Y383 V386 E387 L393 E397 Y398 L399	L344-V395 HydrophobicContact CD1-CG2 4.3Å; M348-V395 HydrophobicContact CE-CG2 3.62Å; M348-V395 HydrophobicContact CG-CG2 4.44Å; M348-V395 HydrophobicContact SD-CG2 3.25Å; M348-V395 WeakPolarHBondContact SD-CG2 3.31Å; Y383-V395 HydrophobicContact CD1-CB 4.45Å; Y383-V395 HydrophobicContact CD1-CG1 4.4Å; Y383-V395 HydrophobicContact CD1-CG2 3.54Å; Y383-V395 HydrophobicContact CE1-CG2 3.98Å; Y383-V395 HydrophobicContact CG-CG2 4.44Å; Y383-V395 WeakPolarHBondContact O-CG1 3.25Å; V386-V395 HydrophobicContact CB-CB 4.18Å; V386-V395 HydrophobicContact CB-CG1 4.11Å; V386-V395 HydrophobicContact CB-CG2 4.15Å; V386-V395 HydrophobicContact CG1-CB 3.73Å; V386-V395 HydrophobicContact CG1-CG1 4.05Å; V386-V395 HydrophobicContact CG1-CG2 3.98Å; E387-V395 HydrophobicContact CB-CG1 3.9Å; L393-V395 VanDerWaalsContact C-N 3.28Å; L393-V395 PolarHBondContact O-N 3.45Å; V395-E397 PolarHBondContact O-N 3.33Å; V395-Y398 WeakPolarHBondContact O-CA 3.44Å; V395-Y398 WeakPolarHBondContact O-CB 3.35Å; V395-Y398 PolarHBondContact O-N 3.34Å; V395-L399 PolarHBondContact O-N 3.05Å
396	D	89.6	Confident	94.6	Very high	31 Å²	31	33.2 Å²	33.2	17%	0.166	18%	0.177	C	C	.	.	H	α-helix	trans	-66.3	-24.5	178.7	75	-62.3	0	0	0	112.9	K394 Y398 Y638 K639	K394-D396 PolarHBondContact O-N 2.84Å; K394-D396 VanDerWaalsContact O-N 3.13Å; D396-Y398 PolarHBondContact O-N 3.25Å; D396-Y638 PolarHBondContact OD2-OH 2.84Å; D396-K639 WeakPolarHBondContact OD2-CE 3.47Å; D396-K639 IonicContact OD2-NZ 3.01Å; D396-K639 PolarHBondContact OD2-NZ 2.82Å
397	E	90.1	Very high	94.5	Very high	9 Å²	9	33.2 Å²	33.2	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-28.9	169	-61.9	-173.7	-172.8	0	0	112.2	K394 V395 Y638 H674 V676 S728	K394-E397 HydrophobicContact CB-CG 4.27Å; K394-E397 WeakPolarHBondContact O-CB 3.32Å; K394-E397 PolarHBondContact O-N 2.93Å; K394-E397 VanDerWaalsContact O-N 3.11Å; V395-E397 PolarHBondContact O-N 3.33Å; E397-Y638 HydrophobicContact CG-CE2 4.28Å; E397-H674 IonicContact OE1-CE1 3.9Å; E397-V676 HydrophobicContact CB-CG2 3.74Å; E397-V676 VanDerWaalsContact CD-CG2 3.47Å; E397-V676 HydrophobicContact CG-CG2 3.6Å; E397-V676 VanDerWaalsContact OE2-CG2 3.3Å; E397-V676 WeakPolarHBondContact OE2-CG2 3.39Å; E397-S728 VanDerWaalsContact CD-OG 3.27Å; E397-S728 PolarHBondContact OE1-OG 3.18Å; E397-S728 PolarHBondContact OE2-OG 2.88Å
398	Y	90.9	Very high	94.2	Very high	37 Å²	37	29.3 Å²	29.3	15%	0.145	16%	0.161	C	C	.	.	H	α-helix	trans	-85.9	-33.2	-177.9	-65.3	-99.9	0	0	0	112.3	L344 V395 D396 L400 H401 T402	L344-Y398 HydrophobicContact CD2-CD1 3.82Å; L344-Y398 HydrophobicContact CD2-CD2 3.66Å; L344-Y398 HydrophobicContact CD2-CE1 3.39Å; L344-Y398 HydrophobicContact CD2-CE2 3.23Å; L344-Y398 HydrophobicContact CD2-CG 3.94Å; L344-Y398 WeakPolarHBondContact CD2-OH 3.49Å; V395-Y398 WeakPolarHBondContact O-CA 3.44Å; V395-Y398 WeakPolarHBondContact O-CB 3.35Å; V395-Y398 PolarHBondContact O-N 3.34Å; D396-Y398 PolarHBondContact O-N 3.25Å; Y398-L400 PolarHBondContact O-N 3.25Å; Y398-H401 WeakPolarHBondContact O-CB 3.41Å; Y398-H401 PolarHBondContact O-N 3.28Å; Y398-H401 VanDerWaalsContact O-N 3.11Å; Y398-T402 PolarHBondContact O-N 2.92Å; Y398-T402 PolarHBondContact O-OG1 3.36Å
399	L	93.3	Very high	93.9	Very high	15 Å²	15	27.1 Å²	27.1	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-56.6	-40.7	174.9	179	56.9	0	0	0	111.5	Y380 Y383 V395 H401 T402 C403 H445	Y380-L399 HydrophobicContact CE2-CD2 4.4Å; Y383-L399 HydrophobicContact CD1-CB 3.59Å; Y383-L399 HydrophobicContact CD1-CD1 4.34Å; Y383-L399 HydrophobicContact CD1-CG 4.41Å; Y383-L399 HydrophobicContact CD2-CD1 3.84Å; Y383-L399 VanDerWaalsContact CE1-CA 3.44Å; Y383-L399 HydrophobicContact CE1-CB 3.67Å; Y383-L399 HydrophobicContact CE1-CD1 4.33Å; Y383-L399 VanDerWaalsContact CE1-N 3.3Å; Y383-L399 HydrophobicContact CE2-CD1 3.84Å; Y383-L399 HydrophobicContact CG-CB 4.13Å; Y383-L399 HydrophobicContact CG-CD1 4.14Å; Y383-L399 HydrophobicContact CG-CG 4.49Å; V395-L399 PolarHBondContact O-N 3.05Å; L399-H401 VanDerWaalsContact C-N 3.33Å; L399-H401 PolarHBondContact O-N 3.45Å; L399-T402 WeakPolarHBondContact O-CB 3.12Å; L399-T402 PolarHBondContact O-N 3.4Å; L399-C403 PolarHBondContact O-N 3.4Å; L399-C403 PolarHBondContact O-SG 3.02Å; L399-C403 VanDerWaalsContact O-SG 3.41Å; L399-H445 WeakPolarHBondContact CD2-ND1 3.47Å
400	L	92.8	Very high	93.8	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.052	14%	0.138	C	C	.	.	H	α-helix	trans	-58	-46.9	177.3	-175.4	61.6	0	0	0	111.6	Y398 C403 F404 M609 K639 T642 V676	Y398-L400 PolarHBondContact O-N 3.25Å; L400-C403 PolarHBondContact O-N 3.23Å; L400-F404 HydrophobicContact CD1-CE1 3.75Å; L400-F404 HydrophobicContact CD1-CE2 4.07Å; L400-F404 HydrophobicContact CD1-CZ 3.42Å; L400-F404 VanDerWaalsContact CD1-CZ 3.42Å; L400-F404 HydrophobicContact CD2-CE2 4.11Å; L400-F404 HydrophobicContact CD2-CZ 4.05Å; L400-F404 HydrophobicContact CG-CD2 4.41Å; L400-F404 HydrophobicContact CG-CE1 4.23Å; L400-F404 HydrophobicContact CG-CE2 3.64Å; L400-F404 HydrophobicContact CG-CZ 3.53Å; L400-F404 WeakPolarHBondContact O-CG 3.41Å; L400-F404 PolarHBondContact O-N 3.33Å; L400-F404 VanDerWaalsContact O-N 3.09Å; L400-M609 HydrophobicContact CD1-CB 3.48Å; L400-M609 VanDerWaalsContact CD1-CB 3.48Å; L400-M609 HydrophobicContact CD1-CG 3.48Å; L400-M609 VanDerWaalsContact CD1-CG 3.48Å; L400-K639 HydrophobicContact CD2-CB 4.49Å; L400-K639 HydrophobicContact CD2-CG 4.48Å; L400-T642 HydrophobicContact CD2-CG2 3.75Å; L400-V676 HydrophobicContact CD2-CG1 4.16Å
401	H	91.8	Very high	93.7	Very high	57 Å²	57	25.7 Å²	25.7	26%	0.264	13%	0.134	S	C	.	.	H	α-helix	trans	-64.1	-41.4	176.7	178	-87.5	0	0	0	112	P3 Y398 L399 C403 F404 V405	P3-H401 VanDerWaalsContact CG-CE1 3.46Å; P3-H401 WeakPolarHBondContact CG-CE1 3.37Å; Y398-H401 WeakPolarHBondContact O-CB 3.41Å; Y398-H401 PolarHBondContact O-N 3.28Å; Y398-H401 VanDerWaalsContact O-N 3.11Å; L399-H401 VanDerWaalsContact C-N 3.33Å; L399-H401 PolarHBondContact O-N 3.45Å; H401-C403 VanDerWaalsContact C-N 3.28Å; H401-C403 PolarHBondContact O-N 2.8Å; H401-F404 WeakPolarHBondContact O-CB 3.38Å; H401-F404 PolarHBondContact O-N 2.92Å; H401-F404 VanDerWaalsContact O-N 3.12Å; H401-V405 VanDerWaalsContact CE1-CG2 3.47Å; H401-V405 WeakPolarHBondContact CE1-CG2 3.44Å; H401-V405 WeakPolarHBondContact O-CG2 3.38Å; H401-V405 PolarHBondContact O-N 3.43Å
402	T	95	Very high	93.5	Very high	13 Å²	13	21.8 Å²	21.8	8%	0.08	11%	0.109	C	C	.	.	H	α-helix	trans	-54.9	-44.3	174.6	-64.4	0	0	0	0	111.5	Y383 Y398 L399 V405 A406 D438	Y383-T402 PolarHBondContact OH-OG1 3.3Å; Y398-T402 PolarHBondContact O-N 2.92Å; Y398-T402 PolarHBondContact O-OG1 3.36Å; L399-T402 WeakPolarHBondContact O-CB 3.12Å; L399-T402 PolarHBondContact O-N 3.4Å; T402-V405 PolarHBondContact O-N 2.7Å; T402-A406 PolarHBondContact O-N 3.14Å; T402-A406 VanDerWaalsContact O-N 3.11Å; T402-D438 HydrophobicContact CG2-CB 3.7Å; T402-D438 WeakPolarHBondContact CG2-OD1 3.49Å
403	C	96.2	Very high	93.4	Very high	6 Å²	6	17.7 Å²	17.7	4%	0.041	9%	0.088	C	C	.	.	H	α-helix	trans	-67.1	-40.1	175.8	-59.4	0	0	0	0	112.9	L399 L400 H401 V405 A406 I407 C442	L399-C403 PolarHBondContact O-N 3.4Å; L399-C403 PolarHBondContact O-SG 3.02Å; L399-C403 VanDerWaalsContact O-SG 3.41Å; L400-C403 PolarHBondContact O-N 3.23Å; H401-C403 VanDerWaalsContact C-N 3.28Å; H401-C403 PolarHBondContact O-N 2.8Å; C403-V405 VanDerWaalsContact C-N 3.33Å; C403-V405 PolarHBondContact O-N 3.18Å; C403-A406 WeakPolarHBondContact O-CB 3.41Å; C403-A406 PolarHBondContact O-N 3.03Å; C403-I407 WeakPolarHBondContact O-CG1 3.38Å; C403-I407 PolarHBondContact O-N 2.76Å; C403-C442 WeakPolarHBondContact CA-SG 3.17Å; C403-C442 HydrophobicContact CB-CB 4.03Å; C403-C442 WeakPolarHBondContact CB-SG 3.4Å; C403-C442 WeakPolarHBondContact SG-CB 3.39Å; C403-C442 CovalentContact SG-SG 2.04Å; C403-C442 PolarHBondContact SG-SG 2.93Å
404	F	95.6	Very high	93.2	Very high	11 Å²	11	17.6 Å²	17.6	5%	0.048	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-39.4	176.2	-67.9	-15	0	0	0	113.5	L400 H401 I407 G408 M609 T642 H646	L400-F404 HydrophobicContact CD1-CE1 3.75Å; L400-F404 HydrophobicContact CD1-CE2 4.07Å; L400-F404 HydrophobicContact CD1-CZ 3.42Å; L400-F404 VanDerWaalsContact CD1-CZ 3.42Å; L400-F404 HydrophobicContact CD2-CE2 4.11Å; L400-F404 HydrophobicContact CD2-CZ 4.05Å; L400-F404 HydrophobicContact CG-CD2 4.41Å; L400-F404 HydrophobicContact CG-CE1 4.23Å; L400-F404 HydrophobicContact CG-CE2 3.64Å; L400-F404 HydrophobicContact CG-CZ 3.53Å; L400-F404 WeakPolarHBondContact O-CG 3.41Å; L400-F404 PolarHBondContact O-N 3.33Å; L400-F404 VanDerWaalsContact O-N 3.09Å; H401-F404 WeakPolarHBondContact O-CB 3.38Å; H401-F404 PolarHBondContact O-N 2.92Å; H401-F404 VanDerWaalsContact O-N 3.12Å; F404-I407 HydrophobicContact CD1-CD1 4.49Å; F404-I407 PolarHBondContact O-N 3.13Å; F404-G408 PolarHBondContact O-N 2.8Å; F404-M609 HydrophobicContact CE1-CE 4.49Å; F404-M609 HydrophobicContact CE1-CG 4.08Å; F404-T642 HydrophobicContact CE2-CG2 3.66Å; F404-T642 HydrophobicContact CZ-CG2 4.17Å; F404-H646 WeakPolarHBondContact CB-CE1 3.5Å; F404-H646 HydrophobicContact CD1-CB 4.18Å; F404-H646 AromaticContact CD1-CD2 3.47Å; F404-H646 VanDerWaalsContact CD1-CD2 3.47Å; F404-H646 WeakPolarHBondContact CD1-CD2 3.36Å; F404-H646 AromaticContact CD1-CE1 3.77Å; F404-H646 AromaticContact CD1-CG 3.5Å; F404-H646 AromaticContact CD1-ND1 3.67Å; F404-H646 AromaticContact CD1-NE2 3.67Å; F404-H646 HydrophobicContact CD2-CB 4.19Å; F404-H646 AromaticContact CD2-CG 3.91Å; F404-H646 AromaticContact CD2-ND1 3.6Å; F404-H646 HydrophobicContact CE1-CB 3.87Å; F404-H646 AromaticContact CE1-CD2 3.78Å; F404-H646 AromaticContact CE1-CG 3.69Å; F404-H646 HydrophobicContact CE2-CB 3.89Å; F404-H646 HydrophobicContact CG-CB 4.34Å; F404-H646 AromaticContact CG-CD2 3.97Å; F404-H646 AromaticContact CG-CE1 3.52Å; F404-H646 AromaticContact CG-CG 3.63Å; F404-H646 AromaticContact CG-ND1 3.31Å; F404-H646 VanDerWaalsContact CG-ND1 3.31Å; F404-H646 WeakPolarHBondContact CG-ND1 3.46Å; F404-H646 AromaticContact CG-NE2 3.93Å; F404-H646 HydrophobicContact CZ-CB 3.72Å; F404-H646 AromaticContact CZ-CG 3.97Å
405	V	91.7	Very high	93.2	Very high	24 Å²	24	13 Å²	13	15%	0.145	7%	0.068	C	C	.	.	H	α-helix	trans	-59.3	-53.6	172.2	172.8	0	0	0	0	109.3	H401 T402 C403 I407 G408 L409	H401-V405 VanDerWaalsContact CE1-CG2 3.47Å; H401-V405 WeakPolarHBondContact CE1-CG2 3.44Å; H401-V405 WeakPolarHBondContact O-CG2 3.38Å; H401-V405 PolarHBondContact O-N 3.43Å; T402-V405 PolarHBondContact O-N 2.7Å; C403-V405 VanDerWaalsContact C-N 3.33Å; C403-V405 PolarHBondContact O-N 3.18Å; V405-I407 VanDerWaalsContact C-N 3.31Å; V405-I407 PolarHBondContact O-N 3.19Å; V405-G408 PolarHBondContact O-N 3.33Å; V405-G408 VanDerWaalsContact O-N 3.11Å; V405-L409 VanDerWaalsContact O-CG 3.27Å; V405-L409 WeakPolarHBondContact O-CG 3.45Å; V405-L409 PolarHBondContact O-N 2.85Å
406	A	95.6	Very high	93.3	Very high	2 Å²	2	13.4 Å²	13.4	2%	0.017	7%	0.069	C	C	.	.	H	α-helix	trans	-54.7	-44.4	178.4	0	0	0	0	0	112.5	T402 C403 G408 L409 D410 D438 K439 Y612	T402-A406 PolarHBondContact O-N 3.14Å; T402-A406 VanDerWaalsContact O-N 3.11Å; C403-A406 WeakPolarHBondContact O-CB 3.41Å; C403-A406 PolarHBondContact O-N 3.03Å; A406-G408 PolarHBondContact O-N 3.23Å; A406-L409 WeakPolarHBondContact O-CB 3.45Å; A406-L409 PolarHBondContact O-N 3.27Å; A406-L409 VanDerWaalsContact O-N 3.17Å; A406-D410 WeakPolarHBondContact O-CB 3.45Å; A406-D410 PolarHBondContact O-N 3.11Å; A406-D438 HydrophobicContact CB-CB 3.82Å; A406-K439 HydrophobicContact CB-CB 4.28Å; A406-Y612 VanDerWaalsContact C-OH 3.26Å; A406-Y612 HydrophobicContact CB-CE2 3.93Å; A406-Y612 WeakPolarHBondContact CB-OH 3.43Å; A406-Y612 PolarHBondContact O-OH 2.88Å
407	I	96.1	Very high	93.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.4	-46.8	177	-68.4	177.2	0	0	0	111.5	C403 F404 V405 L409 D410 S411 I529 M609 Y612 V614	C403-I407 WeakPolarHBondContact O-CG1 3.38Å; C403-I407 PolarHBondContact O-N 2.76Å; F404-I407 HydrophobicContact CD1-CD1 4.49Å; F404-I407 PolarHBondContact O-N 3.13Å; V405-I407 VanDerWaalsContact C-N 3.31Å; V405-I407 PolarHBondContact O-N 3.19Å; I407-L409 PolarHBondContact O-N 2.92Å; I407-L409 VanDerWaalsContact O-N 3.12Å; I407-D410 PolarHBondContact O-N 2.92Å; I407-S411 WeakPolarHBondContact O-CB 3.38Å; I407-S411 PolarHBondContact O-N 3.29Å; I407-S411 PolarHBondContact O-OG 3.39Å; I407-I529 HydrophobicContact CB-CD1 4.28Å; I407-I529 HydrophobicContact CD1-CD1 3.83Å; I407-I529 HydrophobicContact CG1-CD1 3.47Å; I407-I529 VanDerWaalsContact CG1-CD1 3.47Å; I407-I529 HydrophobicContact CG2-CD1 4.13Å; I407-M609 HydrophobicContact CD1-CE 3.4Å; I407-Y612 HydrophobicContact CG1-CD2 4.31Å; I407-Y612 HydrophobicContact CG1-CE2 3.75Å; I407-Y612 PolarHBondContact N-OH 2.67Å; I407-V614 HydrophobicContact CG2-CG2 3.87Å
408	G	92.3	Very high	94	Very high	7 Å²	7	13 Å²	13	7%	0.072	7%	0.069	C	C	.	.	H	α-helix	trans	-57	-30.2	180	0	0	0	0	0	112.3	F404 V405 A406 S411 L412 R550	F404-G408 PolarHBondContact O-N 2.8Å; V405-G408 PolarHBondContact O-N 3.33Å; V405-G408 VanDerWaalsContact O-N 3.11Å; A406-G408 PolarHBondContact O-N 3.23Å; G408-S411 PolarHBondContact O-OG 3.16Å; G408-S411 VanDerWaalsContact O-OG 3.14Å; G408-L412 WeakPolarHBondContact O-CD1 3.47Å; G408-R550 PolarHBondContact O-NH1 2.84Å
409	L	90.9	Very high	94.4	Very high	13 Å²	13	12 Å²	12	7%	0.068	7%	0.068	C	C	.	.	H	α-helix	trans	-90.2	-46.3	-176.2	-63.1	-145	0	0	0	111.5	F6 L7 V405 A406 I407 S411 L412	F6-L409 VanDerWaalsContact O-CD1 3.25Å; F6-L409 WeakPolarHBondContact O-CD1 3.05Å; L7-L409 HydrophobicContact CB-CB 3.74Å; L7-L409 HydrophobicContact CB-CD2 4.43Å; L7-L409 HydrophobicContact CB-CG 4.4Å; L7-L409 WeakPolarHBondContact CB-O 3.33Å; L7-L409 HydrophobicContact CD1-CB 3.55Å; L7-L409 HydrophobicContact CD1-CD1 4.14Å; L7-L409 HydrophobicContact CD1-CG 4.43Å; L7-L409 HydrophobicContact CG-CB 4.19Å; V405-L409 VanDerWaalsContact O-CG 3.27Å; V405-L409 WeakPolarHBondContact O-CG 3.45Å; V405-L409 PolarHBondContact O-N 2.85Å; A406-L409 WeakPolarHBondContact O-CB 3.45Å; A406-L409 PolarHBondContact O-N 3.27Å; A406-L409 VanDerWaalsContact O-N 3.17Å; I407-L409 PolarHBondContact O-N 2.92Å; I407-L409 VanDerWaalsContact O-N 3.12Å; L409-S411 PolarHBondContact O-N 2.87Å; L409-L412 WeakPolarHBondContact O-CB 3.47Å; L409-L412 PolarHBondContact O-N 3.49Å
410	D	95.7	Very high	94.5	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-69.4	-21.9	-177.1	-160.7	28.7	0	0	0	112.1	A406 I407 L412 S415 K439 G528 Y612	A406-D410 WeakPolarHBondContact O-CB 3.45Å; A406-D410 PolarHBondContact O-N 3.11Å; I407-D410 PolarHBondContact O-N 2.92Å; D410-L412 PolarHBondContact O-N 3.2Å; D410-S415 WeakPolarHBondContact OD1-CB 3.49Å; D410-S415 PolarHBondContact OD1-OG 3.41Å; D410-K439 IonicContact OD1-NZ 2.84Å; D410-K439 PolarHBondContact OD1-NZ 2.83Å; D410-K439 VanDerWaalsContact OD2-CD 3.26Å; D410-K439 WeakPolarHBondContact OD2-CD 3.49Å; D410-K439 WeakPolarHBondContact OD2-CE 3.06Å; D410-K439 IonicContact OD2-NZ 3.81Å; D410-K439 PolarHBondContact OD2-NZ 3.08Å; D410-G528 VanDerWaalsContact CG-CA 3.5Å; D410-G528 VanDerWaalsContact O-CA 3.29Å; D410-G528 WeakPolarHBondContact O-CA 3.47Å; D410-G528 VanDerWaalsContact OD1-CA 3.25Å; D410-G528 WeakPolarHBondContact OD1-CA 3.42Å; D410-G528 PolarHBondContact OD1-N 3.49Å; D410-Y612 WeakPolarHBondContact CB-OH 3.32Å; D410-Y612 WeakPolarHBondContact OD2-CE1 3.48Å; D410-Y612 PolarHBondContact OD2-OH 3.44Å
411	S	95.7	Very high	94.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	5.9	175	58.5	0	0	0	0	115.2	I407 G408 L409 F548 L549 R550	I407-S411 WeakPolarHBondContact O-CB 3.38Å; I407-S411 PolarHBondContact O-N 3.29Å; I407-S411 PolarHBondContact O-OG 3.39Å; G408-S411 PolarHBondContact O-OG 3.16Å; G408-S411 VanDerWaalsContact O-OG 3.14Å; L409-S411 PolarHBondContact O-N 2.87Å; S411-F548 VanDerWaalsContact CB-CD1 3.44Å; S411-L549 CarbonylContact O-C 3.47Å; S411-L549 VanDerWaalsContact O-CA 3.29Å; S411-L549 WeakPolarHBondContact O-CA 3.32Å; S411-R550 PolarHBondContact O-N 3.25Å; S411-R550 WeakPolarHBondContact OG-CD 3.43Å; S411-R550 WeakPolarHBondContact OG-CG 3.13Å
412	L	92.8	Very high	94.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-90	161.8	169.7	-62.8	155.8	0	0	0	106.5	L7 G408 L409 D410 S414 R550 T551 E918 K922	L7-L412 HydrophobicContact CB-CB 4.22Å; L7-L412 HydrophobicContact CB-CD1 3.75Å; L7-L412 WeakPolarHBondContact O-CD1 3.38Å; L7-L412 WeakPolarHBondContact O-CG 3.36Å; G408-L412 WeakPolarHBondContact O-CD1 3.47Å; L409-L412 WeakPolarHBondContact O-CB 3.47Å; L409-L412 PolarHBondContact O-N 3.49Å; D410-L412 PolarHBondContact O-N 3.2Å; L412-S414 VanDerWaalsContact C-CB 3.43Å; L412-S414 WeakPolarHBondContact CA-OG 3.45Å; L412-S414 WeakPolarHBondContact CB-OG 3.29Å; L412-S414 PolarHBondContact O-N 3.04Å; L412-S414 PolarHBondContact O-OG 3Å; L412-R550 HydrophobicContact CD2-CB 4.33Å; L412-T551 HydrophobicContact CD2-CG2 3.4Å; L412-E918 WeakPolarHBondContact CB-OE2 3.24Å; L412-K922 HydrophobicContact CD2-CD 4.43Å
413	N	91.8	Very high	94.8	Very high	30 Å²	30	19.2 Å²	19.2	16%	0.16	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	14.3	-168	-178.1	36.3	0	0	0	115.5	L9 K527 R547 E918	L9-N413 PolarHBondContact O-ND2 2.88Å; N413-K527 VanDerWaalsContact O-CE 3.29Å; N413-K527 WeakPolarHBondContact O-CE 3.36Å; N413-K527 PolarHBondContact O-NZ 3.04Å; N413-R547 PolarHBondContact O-NH2 3.33Å; N413-R547 PolarHBondContact OD1-NH1 3.01Å; N413-R547 PolarHBondContact OD1-NH2 3.39Å; N413-E918 PolarHBondContact N-OE2 3.34Å; N413-E918 VanDerWaalsContact N-OE2 3.08Å
414	S	91.5	Very high	94.7	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.007	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn		-173	-11.2	-112.7	78.4	0	0	0	0	120.7	L7 V8 L9 L412	L7-S414 WeakPolarHBondContact CD2-O 3.43Å; V8-S414 WeakPolarHBondContact CA-OG 3.27Å; V8-S414 PolarHBondContact N-OG 3.12Å; V8-S414 CarbonylContact O-C 3.59Å; V8-S414 WeakPolarHBondContact O-CA 3.24Å; V8-S414 WeakPolarHBondContact O-CB 3.46Å; V8-S414 PolarHBondContact O-OG 2.91Å; L9-S414 VanDerWaalsContact CD1-CA 3.49Å; L9-S414 WeakPolarHBondContact CD1-O 3.43Å; L9-S414 VanDerWaalsContact CG-CA 3.44Å; L9-S414 WeakPolarHBondContact CG-O 3.38Å; L9-S414 PolarHBondContact N-OG 2.99Å; L412-S414 VanDerWaalsContact C-CB 3.43Å; L412-S414 WeakPolarHBondContact CA-OG 3.45Å; L412-S414 WeakPolarHBondContact CB-OG 3.29Å; L412-S414 PolarHBondContact O-N 3.04Å; L412-S414 PolarHBondContact O-OG 3Å
415	S	93.8	Very high	94.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.014	13%	0.129	C	C	.	.			trans	-39.6	169.3	135	-161.6	0	0	0	0	111.7	D410 K527	D410-S415 WeakPolarHBondContact OD1-CB 3.49Å; D410-S415 PolarHBondContact OD1-OG 3.41Å; S415-K527 WeakPolarHBondContact O-CD 3.26Å
416	R	95.6	Very high	94.9	Very high	12 Å²	12	21.5 Å²	21.5	5%	0.045	13%	0.128	C	C	.	.			trans	-120.3	161.1	175.1	58.3	-176.5	-170.9	77.7	-3.9	107.7	I418 S420 M431 D433 V435 S436 K527 R911	R416-I418 PolarHBondContact NH1-O 2.96Å; R416-S420 PolarHBondContact NH1-OG 2.84Å; R416-M431 VanDerWaalsContact NH1-CE 3.25Å; R416-M431 PolarHBondContact NH2-O 2.99Å; R416-M431 VanDerWaalsContact NH2-O 3.12Å; R416-D433 IonicContact CZ-OD1 3.54Å; R416-D433 IonicContact CZ-OD2 3.23Å; R416-D433 IonicContact NE-OD1 2.92Å; R416-D433 PolarHBondContact NE-OD1 2.8Å; R416-D433 IonicContact NE-OD2 3.5Å; R416-D433 PolarHBondContact NE-OD2 2.72Å; R416-D433 IonicContact NH2-OD1 3.92Å; R416-D433 PolarHBondContact NH2-OD1 2.95Å; R416-D433 IonicContact NH2-OD2 3.98Å; R416-V435 HydrophobicContact CG-CB 4.29Å; R416-V435 HydrophobicContact CG-CG1 4.04Å; R416-V435 HydrophobicContact CG-CG2 4.28Å; R416-S436 PolarHBondContact NH2-OG 3.01Å; R416-K527 VanDerWaalsContact C-CB 3.41Å; R416-R911 VanDerWaalsContact CD-NH2 3.3Å
417	P	97.9	Very high	94.9	Very high	31 Å²	31	25.5 Å²	25.5	20%	0.201	15%	0.146	C	C	.	.			trans	-56.6	151.9	161.6	-21.2	34.6	0	0	0	110.2	S419 T524 L525 K527	P417-S419 WeakPolarHBondContact CB-O 3.29Å; P417-S419 PolarHBondContact O-N 3.34Å; P417-T524 WeakPolarHBondContact CB-O 3.37Å; P417-L525 WeakPolarHBondContact CG-O 3.18Å; P417-K527 HydrophobicContact CG-CB 4.36Å
418	I	98	Very high	94.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-55.9	-45.2	177.5	-60.8	178.2	0	0	0	109.9	W372 R416 V435 K439 V443 W523 T524	W372-I418 HydrophobicContact CB-CG2 3.4Å; W372-I418 VanDerWaalsContact CB-CG2 3.4Å; W372-I418 HydrophobicContact CD2-CG2 3.49Å; W372-I418 VanDerWaalsContact CD2-CG2 3.49Å; W372-I418 HydrophobicContact CE3-CG2 4.04Å; W372-I418 HydrophobicContact CG-CG2 3.16Å; R416-I418 PolarHBondContact NH1-O 2.96Å; I418-V435 HydrophobicContact CB-CG1 4.49Å; I418-V435 HydrophobicContact CG1-CG1 4.14Å; I418-K439 HydrophobicContact CD1-CD 3.9Å; I418-K439 HydrophobicContact CD1-CG 3.75Å; I418-K439 HydrophobicContact CG1-CD 3.64Å; I418-K439 HydrophobicContact CG1-CG 3.97Å; I418-V443 HydrophobicContact CD1-CB 4.44Å; I418-V443 HydrophobicContact CD1-CG2 4.06Å; I418-W523 WeakPolarHBondContact CD1-O 3.4Å; I418-T524 HydrophobicContact CB-CG2 4.47Å; I418-T524 HydrophobicContact CD1-CG2 4.26Å; I418-T524 PolarHBondContact N-O 3.38Å
419	S	98	Very high	95.1	Very high	17 Å²	17	26.1 Å²	26.1	12%	0.119	15%	0.148	C	C	.	.	S	Bend	trans	-98.4	115.8	170.6	173.9	0	0	0	0	110.9	N369 D370 P417 N474 T524	N369-S419 VanDerWaalsContact O-CA 3.3Å; N369-S419 WeakPolarHBondContact O-CA 3.39Å; N369-S419 PolarHBondContact O-OG 3.28Å; D370-S419 WeakPolarHBondContact OD1-CB 3.46Å; D370-S419 PolarHBondContact OD1-OG 2.87Å; P417-S419 WeakPolarHBondContact CB-O 3.29Å; P417-S419 PolarHBondContact O-N 3.34Å; S419-N474 WeakPolarHBondContact CB-ND2 3.47Å; S419-N474 PolarHBondContact OG-ND2 3.03Å; S419-N474 VanDerWaalsContact OG-ND2 3.11Å; S419-T524 PolarHBondContact N-O 3.15Å
420	S	95.4	Very high	95.3	Very high	10 Å²	10	26.2 Å²	26.2	7%	0.07	15%	0.148	C	C	.	.			trans	-144.2	144.5	-178.5	60.8	0	0	0	0	111.4	N369 R416 M431	N369-S420 WeakPolarHBondContact CA-O 3.5Å; N369-S420 VanDerWaalsContact CB-O 3.22Å; N369-S420 WeakPolarHBondContact CB-O 3.46Å; N369-S420 PolarHBondContact O-N 2.93Å; R416-S420 PolarHBondContact NH1-OG 2.84Å; S420-M431 WeakPolarHBondContact O-CE 3.29Å; S420-M431 WeakPolarHBondContact OG-CE 3.32Å; S420-M431 PolarHBondContact OG-SD 2.67Å
421	P	96.1	Very high	95.3	Very high	118 Å²	118	26.2 Å²	26.2	77%	0.766	15%	0.148	S	C	*	.			trans	-56.2	140.2	177.6	-24.1	33.8	0	0	0	112.6
422	A	95.4	Very high	95.4	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.017	15%	0.153	C	C	.	.			trans	-145.4	131.8	170.3	0	0	0	0	0	107.9	W367 Q427 I428 M431	W367-A422 PolarHBondContact NE1-O 3.41Å; A422-Q427 HydrophobicContact CB-CB 4.05Å; A422-I428 HydrophobicContact CB-CG1 4.04Å; A422-M431 HydrophobicContact CB-CG 3.83Å; A422-M431 HydrophobicContact CB-SD 4.29Å
423	E	94	Very high	95.4	Very high	117 Å²	117	28.2 Å²	28.2	55%	0.547	16%	0.157	S	C	.	.			trans	-122.8	-51.8	-178	-67	-168.5	-177.8	0	0	112.6	L51	L51-E423 HydrophobicContact CD1-CB 4.34Å
424	S	95	Very high	95.5	Very high	29 Å²	29	28 Å²	28	20%	0.203	16%	0.158	C	C	.	.	S	Bend	trans	-75.4	155.8	179.7	72.7	0	0	0	0	111.7	T426 Q427 I428	S424-T426 PolarHBondContact O-N 3.01Å; S424-Q427 VanDerWaalsContact N-OE1 3.17Å; S424-Q427 PolarHBondContact O-N 2.96Å; S424-Q427 WeakPolarHBondContact OG-CG 3.49Å; S424-Q427 PolarHBondContact OG-N 3.47Å; S424-I428 WeakPolarHBondContact O-CG1 3.28Å; S424-I428 PolarHBondContact O-N 3.31Å
425	P	95.2	Very high	95.8	Very high	39 Å²	39	28.1 Å²	28.1	25%	0.253	16%	0.158	S	C	.	.	H	α-helix	trans	-51.3	-42.5	174	-29.6	36.8	0	0	0	113.2	Q427 I428 E429	P425-Q427 PolarHBondContact O-N 3.47Å; P425-I428 PolarHBondContact O-N 3.48Å; P425-E429 WeakPolarHBondContact O-CB 3.3Å; P425-E429 WeakPolarHBondContact O-CG 3.43Å; P425-E429 PolarHBondContact O-N 3.27Å
426	T	95.2	Very high	96	Very high	21 Å²	21	28 Å²	28	13%	0.129	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-47.8	174.8	-52.9	0	0	0	0	112.1	S424 I428 E429 E430 L871 Q909 L910	S424-T426 PolarHBondContact O-N 3.01Å; T426-I428 VanDerWaalsContact C-N 3.31Å; T426-I428 PolarHBondContact O-N 2.89Å; T426-E429 WeakPolarHBondContact O-CB 3.43Å; T426-E429 PolarHBondContact O-N 3.16Å; T426-E430 WeakPolarHBondContact O-CG 3.45Å; T426-E430 PolarHBondContact O-N 2.78Å; T426-L871 HydrophobicContact CG2-CB 4.19Å; T426-L871 HydrophobicContact CG2-CD2 4.12Å; T426-L871 HydrophobicContact CG2-CG 3.95Å; T426-Q909 HydrophobicContact CG2-CB 4.13Å; T426-L910 HydrophobicContact CG2-CD2 4.3Å
427	Q	95.7	Very high	96.1	Very high	85 Å²	85	29.4 Å²	29.4	40%	0.397	16%	0.163	S	C	.	.	H	α-helix	trans	-66.4	-35.4	179.8	-72	170.5	-17.4	0	0	112	A422 S424 P425 E430 M431	A422-Q427 HydrophobicContact CB-CB 4.05Å; S424-Q427 VanDerWaalsContact N-OE1 3.17Å; S424-Q427 PolarHBondContact O-N 2.96Å; S424-Q427 WeakPolarHBondContact OG-CG 3.49Å; S424-Q427 PolarHBondContact OG-N 3.47Å; P425-Q427 PolarHBondContact O-N 3.47Å; Q427-E430 PolarHBondContact O-N 3.42Å; Q427-M431 WeakPolarHBondContact O-CG 3.22Å; Q427-M431 PolarHBondContact O-N 3.37Å
428	I	97.8	Very high	96.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-47	176.4	-66.2	163	0	0	0	109.9	P183 T184 W367 W368 A422 S424 P425 T426 E430 M431 F432	P183-I428 HydrophobicContact CB-CG2 3.44Å; P183-I428 VanDerWaalsContact CB-CG2 3.44Å; P183-I428 HydrophobicContact CG-CB 4.49Å; P183-I428 HydrophobicContact CG-CG2 3.67Å; T184-I428 HydrophobicContact CG2-CD1 4.04Å; W367-I428 HydrophobicContact CH2-CD1 3.97Å; W367-I428 HydrophobicContact CZ2-CD1 3.81Å; W367-I428 HydrophobicContact CZ2-CG1 4.47Å; W368-I428 HydrophobicContact CB-CB 4.41Å; W368-I428 HydrophobicContact CB-CG1 4Å; W368-I428 HydrophobicContact CB-CG2 3.75Å; W368-I428 HydrophobicContact CD2-CG2 3.54Å; W368-I428 HydrophobicContact CE3-CG2 3.98Å; W368-I428 HydrophobicContact CG-CB 4.32Å; W368-I428 HydrophobicContact CG-CD1 4.19Å; W368-I428 HydrophobicContact CG-CG1 3.99Å; W368-I428 HydrophobicContact CG-CG2 3.38Å; A422-I428 HydrophobicContact CB-CG1 4.04Å; S424-I428 WeakPolarHBondContact O-CG1 3.28Å; S424-I428 PolarHBondContact O-N 3.31Å; P425-I428 PolarHBondContact O-N 3.48Å; T426-I428 VanDerWaalsContact C-N 3.31Å; T426-I428 PolarHBondContact O-N 2.89Å; I428-E430 PolarHBondContact O-N 3.03Å; I428-M431 VanDerWaalsContact O-CB 3.23Å; I428-M431 WeakPolarHBondContact O-CB 3.36Å; I428-M431 PolarHBondContact O-N 2.93Å; I428-F432 HydrophobicContact CG2-CE2 4.34Å; I428-F432 WeakPolarHBondContact O-CD2 3.25Å
429	E	95.9	Very high	96.2	Very high	19 Å²	19	28.6 Å²	28.6	9%	0.089	16%	0.157	C	C	.	.	H	α-helix	trans	-54.9	-39.8	173	-77.5	-77.8	178.6	0	0	112	P183 P425 T426 M431 F432	P183-E429 WeakPolarHBondContact CD-OE1 3.35Å; P183-E429 HydrophobicContact CG-CG 4.15Å; P425-E429 WeakPolarHBondContact O-CB 3.3Å; P425-E429 WeakPolarHBondContact O-CG 3.43Å; P425-E429 PolarHBondContact O-N 3.27Å; T426-E429 WeakPolarHBondContact O-CB 3.43Å; T426-E429 PolarHBondContact O-N 3.16Å; E429-M431 PolarHBondContact O-N 2.73Å; E429-M431 VanDerWaalsContact O-N 3.17Å; E429-F432 WeakPolarHBondContact O-CB 3.12Å; E429-F432 PolarHBondContact O-N 2.81Å; E429-F432 VanDerWaalsContact O-N 3.09Å
430	E	95	Very high	96.2	Very high	15 Å²	15	27.8 Å²	27.8	7%	0.07	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17	177.1	-69	-159.6	120.1	0	0	113.9	T426 Q427 I428 F432 L910 R911	T426-E430 WeakPolarHBondContact O-CG 3.45Å; T426-E430 PolarHBondContact O-N 2.78Å; Q427-E430 PolarHBondContact O-N 3.42Å; I428-E430 PolarHBondContact O-N 3.03Å; E430-F432 PolarHBondContact O-N 3.06Å; E430-L910 WeakPolarHBondContact OE1-CA 3.02Å; E430-R911 VanDerWaalsContact CB-NH2 3.34Å; E430-R911 PolarHBondContact O-NH2 3.16Å; E430-R911 WeakPolarHBondContact OE1-CB 3.17Å; E430-R911 PolarHBondContact OE1-N 2.84Å; E430-R911 WeakPolarHBondContact OE2-CG 3.18Å; E430-R911 PolarHBondContact OE2-N 3.38Å; E430-R911 IonicContact OE2-NE 2.8Å; E430-R911 PolarHBondContact OE2-NE 2.8Å
431	M	96.7	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.7	174.5	-61.7	-63.4	-70.6	0	0	112.3	L371 R416 S420 A422 Q427 I428 E429 D433 S436	L371-M431 HydrophobicContact CD2-CB 3.75Å; R416-M431 VanDerWaalsContact NH1-CE 3.25Å; R416-M431 PolarHBondContact NH2-O 2.99Å; R416-M431 VanDerWaalsContact NH2-O 3.12Å; S420-M431 WeakPolarHBondContact O-CE 3.29Å; S420-M431 WeakPolarHBondContact OG-CE 3.32Å; S420-M431 PolarHBondContact OG-SD 2.67Å; A422-M431 HydrophobicContact CB-CG 3.83Å; A422-M431 HydrophobicContact CB-SD 4.29Å; Q427-M431 WeakPolarHBondContact O-CG 3.22Å; Q427-M431 PolarHBondContact O-N 3.37Å; I428-M431 VanDerWaalsContact O-CB 3.23Å; I428-M431 WeakPolarHBondContact O-CB 3.36Å; I428-M431 PolarHBondContact O-N 2.93Å; E429-M431 PolarHBondContact O-N 2.73Å; E429-M431 VanDerWaalsContact O-N 3.17Å; M431-D433 PolarHBondContact O-N 2.92Å; M431-S436 VanDerWaalsContact O-CB 3.27Å; M431-S436 WeakPolarHBondContact O-CB 3.34Å; M431-S436 PolarHBondContact O-OG 2.63Å
432	F	96.3	Very high	96.5	Very high	27 Å²	27	21.8 Å²	21.8	12%	0.118	11%	0.113	C	C	.	.	S	Bend	trans	-80.1	64.8	174.6	-63.6	-97.2	0	0	0	110.4	E182 P183 W368 L371 I428 E429 E430 Y437 R877	E182-F432 VanDerWaalsContact CD-CE1 3.49Å; E182-F432 HydrophobicContact CG-CE1 4.14Å; E182-F432 HydrophobicContact CG-CZ 3.74Å; P183-F432 HydrophobicContact CB-CE2 3.96Å; P183-F432 HydrophobicContact CB-CZ 4.18Å; P183-F432 HydrophobicContact CG-CE2 4.11Å; W368-F432 HydrophobicContact CE3-CE2 4.37Å; W368-F432 HydrophobicContact CE3-CZ 4.14Å; W368-F432 HydrophobicContact CZ3-CE2 4.42Å; W368-F432 AromaticContact CZ3-CZ 3.8Å; W368-F432 HydrophobicContact CZ3-CZ 3.8Å; L371-F432 HydrophobicContact CD1-CE1 3.91Å; L371-F432 HydrophobicContact CD1-CZ 3.91Å; L371-F432 HydrophobicContact CD2-CD1 3.75Å; L371-F432 HydrophobicContact CD2-CD2 3.73Å; L371-F432 HydrophobicContact CD2-CE1 3.7Å; L371-F432 HydrophobicContact CD2-CE2 3.68Å; L371-F432 HydrophobicContact CD2-CG 3.77Å; L371-F432 HydrophobicContact CD2-CZ 3.67Å; L371-F432 HydrophobicContact CG-CE1 4.42Å; L371-F432 HydrophobicContact CG-CZ 4.46Å; I428-F432 HydrophobicContact CG2-CE2 4.34Å; I428-F432 WeakPolarHBondContact O-CD2 3.25Å; E429-F432 WeakPolarHBondContact O-CB 3.12Å; E429-F432 PolarHBondContact O-N 2.81Å; E429-F432 VanDerWaalsContact O-N 3.09Å; E430-F432 PolarHBondContact O-N 3.06Å; F432-Y437 HydrophobicContact CB-CE2 4.26Å; F432-Y437 HydrophobicContact CD1-CE2 4.35Å; F432-R877 VanDerWaalsContact O-CZ 3.29Å; F432-R877 PolarHBondContact O-NH1 3.14Å; F432-R877 PolarHBondContact O-NH2 3.34Å
433	D	94.1	Very high	96.6	Very high	16 Å²	16	21.7 Å²	21.7	9%	0.086	11%	0.112	C	C	.	.	S	Bend	trans	-129.2	170.1	-177.2	70.5	10.5	0	0	0	112.6	R416 M431 V435 S436 Y437 R911	R416-D433 IonicContact CZ-OD1 3.54Å; R416-D433 IonicContact CZ-OD2 3.23Å; R416-D433 IonicContact NE-OD1 2.92Å; R416-D433 PolarHBondContact NE-OD1 2.8Å; R416-D433 IonicContact NE-OD2 3.5Å; R416-D433 PolarHBondContact NE-OD2 2.72Å; R416-D433 IonicContact NH2-OD1 3.92Å; R416-D433 PolarHBondContact NH2-OD1 2.95Å; R416-D433 IonicContact NH2-OD2 3.98Å; M431-D433 PolarHBondContact O-N 2.92Å; D433-V435 PolarHBondContact O-N 2.85Å; D433-V435 WeakPolarHBondContact OD1-CA 3.32Å; D433-V435 VanDerWaalsContact OD1-CB 3.26Å; D433-V435 WeakPolarHBondContact OD1-CB 3.14Å; D433-V435 PolarHBondContact OD1-N 2.76Å; D433-S436 PolarHBondContact O-N 3.12Å; D433-S436 PolarHBondContact OD1-N 3.05Å; D433-S436 VanDerWaalsContact OD1-N 3.15Å; D433-Y437 VanDerWaalsContact O-CD2 3.3Å; D433-Y437 WeakPolarHBondContact O-CD2 3.3Å; D433-Y437 PolarHBondContact O-N 2.63Å; D433-Y437 VanDerWaalsContact O-N 3.14Å; D433-R911 IonicContact OD2-NH2 2.79Å
434	S	93.6	Very high	96.8	Very high	25 Å²	25	16.1 Å²	16.1	18%	0.175	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-14.9	177	-74.7	0	0	0	0	114.4	D438 K439	S434-D438 WeakPolarHBondContact CA-OD2 3.21Å; S434-D438 WeakPolarHBondContact CB-OD2 3.39Å; S434-D438 WeakPolarHBondContact O-CA 3.4Å; S434-D438 VanDerWaalsContact O-CB 3.29Å; S434-D438 WeakPolarHBondContact O-CB 3.46Å; S434-D438 PolarHBondContact O-N 2.88Å; S434-D438 PolarHBondContact OG-OD2 3.06Å; S434-K439 PolarHBondContact O-N 2.76Å
435	V	96.8	Very high	96.9	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.018	8%	0.08	C	C	.	.	I	π-helix	trans	-75.4	-44.8	174.2	177.8	0	0	0	0	110.5	L7 R416 I418 D433 K439 G440	L7-V435 HydrophobicContact CD1-CG2 4.06Å; R416-V435 HydrophobicContact CG-CB 4.29Å; R416-V435 HydrophobicContact CG-CG1 4.04Å; R416-V435 HydrophobicContact CG-CG2 4.28Å; I418-V435 HydrophobicContact CB-CG1 4.49Å; I418-V435 HydrophobicContact CG1-CG1 4.14Å; D433-V435 PolarHBondContact O-N 2.85Å; D433-V435 WeakPolarHBondContact OD1-CA 3.32Å; D433-V435 VanDerWaalsContact OD1-CB 3.26Å; D433-V435 WeakPolarHBondContact OD1-CB 3.14Å; D433-V435 PolarHBondContact OD1-N 2.76Å; V435-K439 HydrophobicContact CG1-CD 4.2Å; V435-K439 WeakPolarHBondContact O-CB 3.43Å; V435-G440 PolarHBondContact O-N 3.47Å
436	S	98.3	Very high	97.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-67.2	-45.7	174.7	-68.8	0	0	0	0	112	G376 R416 M431 D433	G376-S436 VanDerWaalsContact CA-O 3.28Å; G376-S436 WeakPolarHBondContact CA-O 3.49Å; G376-S436 PolarHBondContact N-O 2.81Å; R416-S436 PolarHBondContact NH2-OG 3.01Å; M431-S436 VanDerWaalsContact O-CB 3.27Å; M431-S436 WeakPolarHBondContact O-CB 3.34Å; M431-S436 PolarHBondContact O-OG 2.63Å; D433-S436 PolarHBondContact O-N 3.12Å; D433-S436 PolarHBondContact OD1-N 3.05Å; D433-S436 VanDerWaalsContact OD1-N 3.15Å
437	Y	98.4	Very high	97.1	Very high	42 Å²	42	13 Å²	13	17%	0.165	6%	0.063	C	C	.	.	I	π-helix	trans	-80.1	-70.1	-176	-71.4	-99.4	0	0	0	112	H352 E375 R379 F432 D433 A441	H352-Y437 AromaticContact CE1-CE1 3.95Å; H352-Y437 AromaticContact NE2-CE1 3.81Å; E375-Y437 HydrophobicContact CB-CD1 4.01Å; E375-Y437 HydrophobicContact CB-CD2 4.15Å; E375-Y437 HydrophobicContact CB-CE1 3.98Å; E375-Y437 HydrophobicContact CB-CE2 4.12Å; E375-Y437 HydrophobicContact CB-CG 4.12Å; E375-Y437 HydrophobicContact CG-CE1 4.08Å; E375-Y437 HydrophobicContact CG-CE2 4Å; E375-Y437 PolarHBondContact OE1-OH 3.41Å; E375-Y437 WeakPolarHBondContact OE2-CE1 3.38Å; E375-Y437 PolarHBondContact OE2-OH 3.23Å; R379-Y437 HydrophobicContact CB-CD1 4.41Å; R379-Y437 WeakPolarHBondContact CG-O 3.43Å; F432-Y437 HydrophobicContact CB-CE2 4.26Å; F432-Y437 HydrophobicContact CD1-CE2 4.35Å; D433-Y437 VanDerWaalsContact O-CD2 3.3Å; D433-Y437 WeakPolarHBondContact O-CD2 3.3Å; D433-Y437 PolarHBondContact O-N 2.63Å; D433-Y437 VanDerWaalsContact O-N 3.14Å; Y437-A441 WeakPolarHBondContact O-CB 3Å; Y437-A441 PolarHBondContact O-N 3.21Å
438	D	98.3	Very high	97	Very high	12 Å²	12	10.9 Å²	10.9	6%	0.064	5%	0.051	C	C	.	.	I	π-helix	trans	-75.6	-49	-165.1	-53.1	-35.6	0	0	0	111.3	R379 T402 A406 S434 A441 C442	R379-D438 IonicContact CZ-OD1 3.53Å; R379-D438 IonicContact NH1-OD1 3.83Å; R379-D438 PolarHBondContact NH1-OD1 3.22Å; R379-D438 IonicContact NH2-OD1 2.84Å; T402-D438 HydrophobicContact CG2-CB 3.7Å; T402-D438 WeakPolarHBondContact CG2-OD1 3.49Å; A406-D438 HydrophobicContact CB-CB 3.82Å; S434-D438 WeakPolarHBondContact CA-OD2 3.21Å; S434-D438 WeakPolarHBondContact CB-OD2 3.39Å; S434-D438 WeakPolarHBondContact O-CA 3.4Å; S434-D438 VanDerWaalsContact O-CB 3.29Å; S434-D438 WeakPolarHBondContact O-CB 3.46Å; S434-D438 PolarHBondContact O-N 2.88Å; S434-D438 PolarHBondContact OG-OD2 3.06Å; D438-A441 PolarHBondContact O-N 2.91Å; D438-C442 PolarHBondContact O-N 2.91Å; D438-C442 PolarHBondContact O-SG 2.93Å
439	K	98.5	Very high	96.7	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	7%	0.067	C	C	.	.	I	π-helix	trans	-64.1	-41.6	175.1	178.8	-178.9	-179.8	168.9	0	111.1	A406 D410 I418 S434 V435 A441 C442 V443 G528 Y612	A406-K439 HydrophobicContact CB-CB 4.28Å; D410-K439 IonicContact OD1-NZ 2.84Å; D410-K439 PolarHBondContact OD1-NZ 2.83Å; D410-K439 VanDerWaalsContact OD2-CD 3.26Å; D410-K439 WeakPolarHBondContact OD2-CD 3.49Å; D410-K439 WeakPolarHBondContact OD2-CE 3.06Å; D410-K439 IonicContact OD2-NZ 3.81Å; D410-K439 PolarHBondContact OD2-NZ 3.08Å; I418-K439 HydrophobicContact CD1-CD 3.9Å; I418-K439 HydrophobicContact CD1-CG 3.75Å; I418-K439 HydrophobicContact CG1-CD 3.64Å; I418-K439 HydrophobicContact CG1-CG 3.97Å; S434-K439 PolarHBondContact O-N 2.76Å; V435-K439 HydrophobicContact CG1-CD 4.2Å; V435-K439 WeakPolarHBondContact O-CB 3.43Å; K439-A441 PolarHBondContact O-N 3.24Å; K439-C442 PolarHBondContact O-N 3.45Å; K439-V443 HydrophobicContact CG-CG2 4.19Å; K439-V443 WeakPolarHBondContact O-CB 3.45Å; K439-V443 WeakPolarHBondContact O-CG2 3.27Å; K439-V443 PolarHBondContact O-N 3.09Å; K439-G528 PolarHBondContact NZ-O 2.89Å; K439-Y612 HydrophobicContact CD-CE1 3.93Å; K439-Y612 HydrophobicContact CG-CD1 4.41Å; K439-Y612 HydrophobicContact CG-CE1 3.72Å; K439-Y612 HydrophobicContact CG-CE2 4.41Å
440	G	98.6	Very high	96.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-51.9	-52.7	173.3	0	0	0	0	0	111.9	V435 C442 V443 L444	V435-G440 PolarHBondContact O-N 3.47Å; G440-C442 PolarHBondContact O-N 2.81Å; G440-V443 PolarHBondContact O-N 3.04Å; G440-L444 WeakPolarHBondContact O-CG 3.33Å; G440-L444 PolarHBondContact O-N 3.27Å
441	A	98.6	Very high	96	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.3	-39.6	178.5	0	0	0	0	0	113.7	R379 Y380 Y437 D438 K439 L444 H445	R379-A441 HydrophobicContact CB-CB 4.04Å; R379-A441 HydrophobicContact CG-CB 3.61Å; Y380-A441 HydrophobicContact CD2-CB 4.31Å; Y380-A441 WeakPolarHBondContact CD2-O 3.26Å; Y437-A441 WeakPolarHBondContact O-CB 3Å; Y437-A441 PolarHBondContact O-N 3.21Å; D438-A441 PolarHBondContact O-N 2.91Å; K439-A441 PolarHBondContact O-N 3.24Å; A441-L444 PolarHBondContact O-N 3.35Å; A441-H445 WeakPolarHBondContact O-CB 3.19Å; A441-H445 PolarHBondContact O-N 2.65Å
442	C	98.4	Very high	95.4	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.02	7%	0.07	C	C	.	.	H	α-helix	trans	-69.2	-33.9	178.2	-63	0	0	0	0	113	C403 D438 K439 G440 H445 M446 Y612	C403-C442 WeakPolarHBondContact CA-SG 3.17Å; C403-C442 HydrophobicContact CB-CB 4.03Å; C403-C442 WeakPolarHBondContact CB-SG 3.4Å; C403-C442 WeakPolarHBondContact SG-CB 3.39Å; C403-C442 CovalentContact SG-SG 2.04Å; C403-C442 PolarHBondContact SG-SG 2.93Å; D438-C442 PolarHBondContact O-N 2.91Å; D438-C442 PolarHBondContact O-SG 2.93Å; K439-C442 PolarHBondContact O-N 3.45Å; G440-C442 PolarHBondContact O-N 2.81Å; C442-H445 WeakPolarHBondContact O-CB 3.17Å; C442-H445 PolarHBondContact O-N 3.39Å; C442-M446 PolarHBondContact O-N 2.9Å; C442-Y612 HydrophobicContact CB-CD2 3.53Å; C442-Y612 HydrophobicContact CB-CE2 3.98Å; C442-Y612 HydrophobicContact CB-CG 4.39Å
443	V	98.4	Very high	95	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-70.2	-38.3	173.2	169.4	0	0	0	0	110.8	I418 K439 G440 M446 L447 M520 W523 Y612	I418-V443 HydrophobicContact CD1-CB 4.44Å; I418-V443 HydrophobicContact CD1-CG2 4.06Å; K439-V443 HydrophobicContact CG-CG2 4.19Å; K439-V443 WeakPolarHBondContact O-CB 3.45Å; K439-V443 WeakPolarHBondContact O-CG2 3.27Å; K439-V443 PolarHBondContact O-N 3.09Å; G440-V443 PolarHBondContact O-N 3.04Å; V443-M446 HydrophobicContact CG1-CE 4.43Å; V443-M446 PolarHBondContact O-N 3.47Å; V443-L447 WeakPolarHBondContact O-CB 3.44Å; V443-L447 PolarHBondContact O-N 3.36Å; V443-M520 HydrophobicContact CG1-CE 3.36Å; V443-W523 HydrophobicContact CG1-CB 3.93Å; V443-W523 HydrophobicContact CG1-CG 4.48Å; V443-W523 HydrophobicContact CG2-CB 4.34Å; V443-W523 HydrophobicContact CG2-CE3 4.49Å; V443-Y612 HydrophobicContact CG2-CD1 4.34Å; V443-Y612 HydrophobicContact CG2-CG 4.42Å
444	L	98.5	Very high	94.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.7	-39.5	171.5	-70.7	172.5	0	0	0	112	W372 G376 F377 Y380 G440 A441 L447 R448 F456	W372-L444 HydrophobicContact CZ3-CD2 4.26Å; W372-L444 HydrophobicContact CZ3-CG 4.32Å; G376-L444 WeakPolarHBondContact O-CD1 3.5Å; F377-L444 HydrophobicContact CB-CD1 4.44Å; F377-L444 HydrophobicContact CD1-CD1 3.91Å; F377-L444 HydrophobicContact CD2-CD1 3.78Å; F377-L444 HydrophobicContact CE1-CD1 4Å; F377-L444 HydrophobicContact CE1-CD2 4.02Å; F377-L444 HydrophobicContact CE2-CD1 3.88Å; F377-L444 HydrophobicContact CE2-CD2 3.81Å; F377-L444 HydrophobicContact CE2-CG 4.48Å; F377-L444 HydrophobicContact CG-CD1 3.8Å; F377-L444 HydrophobicContact CZ-CD1 3.99Å; F377-L444 HydrophobicContact CZ-CD2 3.5Å; F377-L444 HydrophobicContact CZ-CG 4.42Å; Y380-L444 HydrophobicContact CD1-CB 3.74Å; Y380-L444 HydrophobicContact CD1-CD1 4.42Å; Y380-L444 HydrophobicContact CE1-CB 4.23Å; Y380-L444 HydrophobicContact CG-CB 3.96Å; Y380-L444 HydrophobicContact CG-CD1 4.46Å; G440-L444 WeakPolarHBondContact O-CG 3.33Å; G440-L444 PolarHBondContact O-N 3.27Å; A441-L444 PolarHBondContact O-N 3.35Å; L444-L447 CarbonylContact O-C 3.55Å; L444-L447 PolarHBondContact O-N 3.21Å; L444-R448 WeakPolarHBondContact O-CB 3.04Å; L444-R448 PolarHBondContact O-N 2.84Å; L444-F456 HydrophobicContact CD2-CE2 4.18Å; L444-F456 HydrophobicContact CD2-CZ 4.28Å
445	H	97.6	Very high	94	Very high	19 Å²	19	20.9 Å²	20.9	9%	0.088	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-49.3	173.3	-174.4	73.2	0	0	0	111.6	Y380 L399 A441 C442 L447 R448 Y449	Y380-H445 HydrophobicContact CD2-CB 4.35Å; Y380-H445 HydrophobicContact CE2-CB 3.61Å; Y380-H445 AromaticContact CE2-ND1 3.73Å; Y380-H445 AromaticContact CZ-ND1 3.96Å; Y380-H445 PolarHBondContact OH-ND1 3.4Å; L399-H445 WeakPolarHBondContact CD2-ND1 3.47Å; A441-H445 WeakPolarHBondContact O-CB 3.19Å; A441-H445 PolarHBondContact O-N 2.65Å; C442-H445 WeakPolarHBondContact O-CB 3.17Å; C442-H445 PolarHBondContact O-N 3.39Å; H445-L447 VanDerWaalsContact C-N 3.28Å; H445-L447 PolarHBondContact O-N 2.88Å; H445-R448 PolarHBondContact O-N 3.17Å; H445-Y449 AromaticContact CE1-CD2 3.82Å; H445-Y449 AromaticContact CE1-CE2 3.24Å; H445-Y449 WeakPolarHBondContact CE1-CE2 3.47Å; H445-Y449 AromaticContact ND1-CE2 3.85Å; H445-Y449 AromaticContact NE2-CD2 3.83Å; H445-Y449 AromaticContact NE2-CE2 3.48Å; H445-Y449 WeakPolarHBondContact NE2-CE2 3.14Å; H445-Y449 WeakPolarHBondContact O-CD2 3.39Å; H445-Y449 PolarHBondContact O-N 3.16Å
446	M	97.7	Very high	93.7	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.02	10%	0.101	C	C	.	.	H	α-helix	trans	-58.5	-41.9	174.4	177.3	-177.9	72.8	0	0	111.8	C442 V443 Y449 F450 M519 W523 P571 T610	C442-M446 PolarHBondContact O-N 2.9Å; V443-M446 HydrophobicContact CG1-CE 4.43Å; V443-M446 PolarHBondContact O-N 3.47Å; M446-Y449 PolarHBondContact O-N 3Å; M446-F450 VanDerWaalsContact O-CB 3.26Å; M446-F450 WeakPolarHBondContact O-CB 3.21Å; M446-F450 PolarHBondContact O-N 3.11Å; M446-M519 HydrophobicContact CE-CE 4.39Å; M446-W523 HydrophobicContact CE-CD2 3.59Å; M446-W523 HydrophobicContact CE-CE3 4.16Å; M446-W523 HydrophobicContact CE-CG 3.91Å; M446-W523 HydrophobicContact CE-CH2 4.28Å; M446-W523 HydrophobicContact CE-CZ2 3.74Å; M446-W523 HydrophobicContact CE-CZ3 4.48Å; M446-W523 HydrophobicContact SD-CH2 4.18Å; M446-W523 HydrophobicContact SD-CZ2 3.89Å; M446-P571 HydrophobicContact CG-CG 3.75Å; M446-P571 HydrophobicContact SD-CG 3.77Å; M446-T610 WeakPolarHBondContact CA-O 3.39Å; M446-T610 WeakPolarHBondContact CB-O 3.28Å
447	L	95.5	Very high	93.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.2	-36.8	178.8	-177.9	57.4	0	0	0	113.2	V443 L444 H445 F450 L451 F456 W478 L481 L516 M520	V443-L447 WeakPolarHBondContact O-CB 3.44Å; V443-L447 PolarHBondContact O-N 3.36Å; L444-L447 CarbonylContact O-C 3.55Å; L444-L447 PolarHBondContact O-N 3.21Å; H445-L447 VanDerWaalsContact C-N 3.28Å; H445-L447 PolarHBondContact O-N 2.88Å; L447-F450 HydrophobicContact CD1-CB 4.29Å; L447-F450 HydrophobicContact CD1-CD1 4.09Å; L447-F450 CarbonylContact O-C 3.29Å; L447-F450 WeakPolarHBondContact O-CA 3.17Å; L447-F450 WeakPolarHBondContact O-CB 3.32Å; L447-F450 PolarHBondContact O-N 2.86Å; L447-F450 VanDerWaalsContact O-N 3.11Å; L447-L451 HydrophobicContact CD1-CD1 3.75Å; L447-L451 HydrophobicContact CD1-CD2 4.49Å; L447-L451 HydrophobicContact CD1-CG 3.81Å; L447-L451 HydrophobicContact CG-CD1 4Å; L447-L451 HydrophobicContact CG-CG 4.39Å; L447-L451 WeakPolarHBondContact O-CG 3.4Å; L447-L451 PolarHBondContact O-N 2.5Å; L447-F456 HydrophobicContact CG-CD2 4.41Å; L447-W478 HydrophobicContact CD2-CZ3 3.73Å; L447-L481 HydrophobicContact CD2-CD1 3.77Å; L447-L516 HydrophobicContact CD1-CD1 3.64Å; L447-M520 HydrophobicContact CB-CE 4.32Å; L447-M520 HydrophobicContact CB-SD 4.49Å; L447-M520 HydrophobicContact CD1-CG 4.48Å; L447-M520 HydrophobicContact CD1-SD 3.87Å; L447-M520 HydrophobicContact CD2-CE 3.94Å; L447-M520 HydrophobicContact CD2-CG 4.38Å; L447-M520 HydrophobicContact CD2-SD 4.11Å; L447-M520 HydrophobicContact CG-SD 4.39Å
448	R	94.5	Very high	92.7	Very high	40 Å²	40	24 Å²	24	15%	0.151	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-47	173.9	-179.9	-165.4	177.3	-144.8	6.4	111.1	Y380 L444 H445 F450 L451 S452 E453 F456	Y380-R448 HydrophobicContact CE1-CB 4.44Å; Y380-R448 WeakPolarHBondContact OH-CD 3.3Å; L444-R448 WeakPolarHBondContact O-CB 3.04Å; L444-R448 PolarHBondContact O-N 2.84Å; H445-R448 PolarHBondContact O-N 3.17Å; R448-F450 PolarHBondContact O-N 3.31Å; R448-L451 PolarHBondContact O-N 3.48Å; R448-S452 CarbonylContact O-C 3.52Å; R448-S452 WeakPolarHBondContact O-CA 3.49Å; R448-S452 PolarHBondContact O-N 2.94Å; R448-E453 WeakPolarHBondContact CD-OE2 3.45Å; R448-E453 WeakPolarHBondContact CG-OE2 3.47Å; R448-E453 IonicContact CZ-OE1 3.84Å; R448-E453 IonicContact CZ-OE2 3.88Å; R448-E453 VanDerWaalsContact NE-CD 3.29Å; R448-E453 IonicContact NE-OE1 2.69Å; R448-E453 PolarHBondContact NE-OE1 3.47Å; R448-E453 IonicContact NE-OE2 2.75Å; R448-E453 PolarHBondContact NE-OE2 3.17Å; R448-E453 IonicContact NH2-OE1 3.63Å; R448-E453 PolarHBondContact NH2-OE1 3.48Å; R448-E453 IonicContact NH2-OE2 2.97Å; R448-E453 PolarHBondContact NH2-OE2 2.96Å; R448-F456 HydrophobicContact CB-CB 4.31Å; R448-F456 HydrophobicContact CB-CD1 4.11Å; R448-F456 HydrophobicContact CB-CD2 4.07Å; R448-F456 HydrophobicContact CB-CE1 4.48Å; R448-F456 HydrophobicContact CB-CE2 4.44Å; R448-F456 HydrophobicContact CB-CG 3.9Å; R448-F456 HydrophobicContact CG-CB 4.15Å; R448-F456 HydrophobicContact CG-CD1 4.01Å; R448-F456 HydrophobicContact CG-CG 4.04Å
449	Y	91.4	Very high	92.1	Very high	85 Å²	85	23.4 Å²	23.4	33%	0.333	12%	0.121	S	C	.	.	H	α-helix	trans	-64.1	-25.8	172.8	-86.3	-94.6	0	0	0	112.2	H445 M446 F509 T610	H445-Y449 AromaticContact CE1-CD2 3.82Å; H445-Y449 AromaticContact CE1-CE2 3.24Å; H445-Y449 WeakPolarHBondContact CE1-CE2 3.47Å; H445-Y449 AromaticContact ND1-CE2 3.85Å; H445-Y449 AromaticContact NE2-CD2 3.83Å; H445-Y449 AromaticContact NE2-CE2 3.48Å; H445-Y449 WeakPolarHBondContact NE2-CE2 3.14Å; H445-Y449 WeakPolarHBondContact O-CD2 3.39Å; H445-Y449 PolarHBondContact O-N 3.16Å; M446-Y449 PolarHBondContact O-N 3Å; Y449-F509 VanDerWaalsContact O-CE2 3.23Å; Y449-F509 WeakPolarHBondContact O-CE2 3.32Å; Y449-F509 WeakPolarHBondContact O-CZ 3.44Å; Y449-T610 HydrophobicContact CD1-CG2 3.45Å; Y449-T610 VanDerWaalsContact CD1-CG2 3.45Å; Y449-T610 HydrophobicContact CD2-CG2 4.05Å; Y449-T610 HydrophobicContact CE1-CG2 3.49Å; Y449-T610 VanDerWaalsContact CE1-CG2 3.49Å; Y449-T610 HydrophobicContact CE2-CG2 4.12Å; Y449-T610 HydrophobicContact CG-CG2 3.72Å
450	F	89.4	Confident	91.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-70.1	-47.8	174.7	-173.7	-101.4	0	0	0	113.5	M446 L447 R448 F509 L514 M519 P571 M586	M446-F450 VanDerWaalsContact O-CB 3.26Å; M446-F450 WeakPolarHBondContact O-CB 3.21Å; M446-F450 PolarHBondContact O-N 3.11Å; L447-F450 HydrophobicContact CD1-CB 4.29Å; L447-F450 HydrophobicContact CD1-CD1 4.09Å; L447-F450 CarbonylContact O-C 3.29Å; L447-F450 WeakPolarHBondContact O-CA 3.17Å; L447-F450 WeakPolarHBondContact O-CB 3.32Å; L447-F450 PolarHBondContact O-N 2.86Å; L447-F450 VanDerWaalsContact O-N 3.11Å; R448-F450 PolarHBondContact O-N 3.31Å; F450-F509 VanDerWaalsContact C-CE2 3.41Å; F450-F509 HydrophobicContact CB-CD2 4.42Å; F450-F509 HydrophobicContact CB-CE2 4.13Å; F450-F509 HydrophobicContact CB-CZ 4.33Å; F450-F509 HydrophobicContact CD2-CB 3.86Å; F450-F509 AromaticContact CD2-CD1 3.61Å; F450-F509 HydrophobicContact CD2-CD1 3.61Å; F450-F509 AromaticContact CD2-CD2 3.18Å; F450-F509 HydrophobicContact CD2-CD2 3.18Å; F450-F509 AromaticContact CD2-CE1 3.83Å; F450-F509 HydrophobicContact CD2-CE1 3.83Å; F450-F509 AromaticContact CD2-CE2 3.57Å; F450-F509 HydrophobicContact CD2-CE2 3.57Å; F450-F509 AromaticContact CD2-CG 3.26Å; F450-F509 HydrophobicContact CD2-CG 3.26Å; F450-F509 AromaticContact CD2-CZ 3.78Å; F450-F509 HydrophobicContact CD2-CZ 3.78Å; F450-F509 HydrophobicContact CE2-CB 3.09Å; F450-F509 AromaticContact CE2-CD1 3.64Å; F450-F509 HydrophobicContact CE2-CD1 3.64Å; F450-F509 AromaticContact CE2-CD2 3.36Å; F450-F509 HydrophobicContact CE2-CD2 3.36Å; F450-F509 HydrophobicContact CE2-CE1 4.32Å; F450-F509 HydrophobicContact CE2-CE2 4.21Å; F450-F509 AromaticContact CE2-CG 3.06Å; F450-F509 HydrophobicContact CE2-CG 3.06Å; F450-F509 AromaticContact CG-CD2 3.87Å; F450-F509 HydrophobicContact CG-CD2 3.87Å; F450-F509 HydrophobicContact CG-CE2 4.07Å; F450-F509 HydrophobicContact CG-CG 4.34Å; F450-F509 HydrophobicContact CG-CZ 4.46Å; F450-F509 HydrophobicContact CZ-CB 3.65Å; F450-F509 HydrophobicContact CZ-CD2 4.11Å; F450-F509 AromaticContact CZ-CG 3.99Å; F450-F509 HydrophobicContact CZ-CG 3.99Å; F450-F509 WeakPolarHBondContact O-CD2 3.49Å; F450-F509 WeakPolarHBondContact O-CE2 3.46Å; F450-L514 HydrophobicContact CE1-CD2 3.29Å; F450-L514 HydrophobicContact CZ-CD2 3.23Å; F450-L514 HydrophobicContact CZ-CG 4.48Å; F450-M519 HydrophobicContact CD1-CE 4.39Å; F450-M519 HydrophobicContact CD1-SD 4.35Å; F450-M519 HydrophobicContact CD2-CE 4.13Å; F450-M519 HydrophobicContact CD2-SD 4.42Å; F450-M519 HydrophobicContact CE1-SD 4.13Å; F450-M519 HydrophobicContact CE2-CE 4.4Å; F450-M519 HydrophobicContact CE2-SD 4.12Å; F450-M519 HydrophobicContact CG-CE 4.11Å; F450-M519 HydrophobicContact CZ-SD 4.01Å; F450-P571 HydrophobicContact CD2-CB 3.44Å; F450-P571 VanDerWaalsContact CD2-CB 3.44Å; F450-P571 HydrophobicContact CD2-CG 4.2Å; F450-P571 HydrophobicContact CE2-CB 3.82Å; F450-P571 HydrophobicContact CG-CB 4.5Å; F450-M586 HydrophobicContact CD2-CE 4.21Å; F450-M586 HydrophobicContact CE2-CE 3.16Å; F450-M586 HydrophobicContact CZ-CE 3.54Å
451	L	85.8	Confident	91.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-89.2	-17.7	-173.3	-66	177.5	0	0	0	113.6	L447 R448 V455 L481 Y507 L516	L447-L451 HydrophobicContact CD1-CD1 3.75Å; L447-L451 HydrophobicContact CD1-CD2 4.49Å; L447-L451 HydrophobicContact CD1-CG 3.81Å; L447-L451 HydrophobicContact CG-CD1 4Å; L447-L451 HydrophobicContact CG-CG 4.39Å; L447-L451 WeakPolarHBondContact O-CG 3.4Å; L447-L451 PolarHBondContact O-N 2.5Å; R448-L451 PolarHBondContact O-N 3.48Å; L451-V455 HydrophobicContact CB-CB 4.08Å; L451-V455 HydrophobicContact CB-CG1 3.91Å; L451-V455 HydrophobicContact CD1-CG1 4.47Å; L451-V455 HydrophobicContact CD2-CG1 4.45Å; L451-V455 WeakPolarHBondContact O-CB 3.38Å; L451-V455 WeakPolarHBondContact O-CG2 3.3Å; L451-L481 HydrophobicContact CD1-CB 4.41Å; L451-L481 HydrophobicContact CD1-CD2 4.02Å; L451-Y507 HydrophobicContact CD2-CD1 3.8Å; L451-Y507 HydrophobicContact CD2-CE1 3.99Å; L451-L516 HydrophobicContact CD1-CD2 4.48Å
452	S	85.4	Confident	91.2	Very high	34 Å²	34	25.8 Å²	25.8	24%	0.238	13%	0.131	C	C	.	.			trans	78.5	159.5	-155.5	80.3	0	0	0	0	112.7	R448 V455 F456	R448-S452 CarbonylContact O-C 3.52Å; R448-S452 WeakPolarHBondContact O-CA 3.49Å; R448-S452 PolarHBondContact O-N 2.94Å; S452-V455 WeakPolarHBondContact OG-CG2 3.3Å; S452-F456 WeakPolarHBondContact O-CB 3.41Å; S452-F456 PolarHBondContact O-N 3.45Å; S452-F456 VanDerWaalsContact O-N 3.09Å
453	E	87.1	Confident	91.1	Very high	53 Å²	53	25.7 Å²	25.7	25%	0.248	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-53.5	-177.6	175.2	66.3	138.5	0	0	112.2	R448 V455 F456 Q457	R448-E453 WeakPolarHBondContact CD-OE2 3.45Å; R448-E453 WeakPolarHBondContact CG-OE2 3.47Å; R448-E453 IonicContact CZ-OE1 3.84Å; R448-E453 IonicContact CZ-OE2 3.88Å; R448-E453 VanDerWaalsContact NE-CD 3.29Å; R448-E453 IonicContact NE-OE1 2.69Å; R448-E453 PolarHBondContact NE-OE1 3.47Å; R448-E453 IonicContact NE-OE2 2.75Å; R448-E453 PolarHBondContact NE-OE2 3.17Å; R448-E453 IonicContact NH2-OE1 3.63Å; R448-E453 PolarHBondContact NH2-OE1 3.48Å; R448-E453 IonicContact NH2-OE2 2.97Å; R448-E453 PolarHBondContact NH2-OE2 2.96Å; E453-V455 VanDerWaalsContact C-N 3.27Å; E453-V455 PolarHBondContact O-N 3.18Å; E453-F456 PolarHBondContact O-N 3.02Å; E453-F456 VanDerWaalsContact O-N 3.13Å; E453-Q457 WeakPolarHBondContact O-CB 3.23Å; E453-Q457 PolarHBondContact O-N 2.91Å
454	D	83.3	Confident	91	Very high	116 Å²	116	25.7 Å²	25.7	62%	0.62	13%	0.131	S	C	*	.	H	α-helix	trans	-60	-38.7	-174.8	-59.2	-16.9	0	0	0	112.1	S458	D454-S458 WeakPolarHBondContact O-CB 3.23Å; D454-S458 PolarHBondContact O-N 2.93Å; D454-S458 PolarHBondContact O-OG 3.36Å
455	V	83	Confident	90.7	Very high	26 Å²	26	29.9 Å²	29.9	16%	0.158	15%	0.147	C	C	.	.	H	α-helix	trans	-71.2	-43.1	178.6	178.2	0	0	0	0	110.9	L451 S452 E453 G459 T484	L451-V455 HydrophobicContact CB-CB 4.08Å; L451-V455 HydrophobicContact CB-CG1 3.91Å; L451-V455 HydrophobicContact CD1-CG1 4.47Å; L451-V455 HydrophobicContact CD2-CG1 4.45Å; L451-V455 WeakPolarHBondContact O-CB 3.38Å; L451-V455 WeakPolarHBondContact O-CG2 3.3Å; S452-V455 WeakPolarHBondContact OG-CG2 3.3Å; E453-V455 VanDerWaalsContact C-N 3.27Å; E453-V455 PolarHBondContact O-N 3.18Å; V455-G459 PolarHBondContact O-N 3.43Å; V455-T484 HydrophobicContact CG1-CG2 4.45Å
456	F	90.9	Very high	90.5	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-52.2	176.3	179.9	-96.9	0	0	0	110.8	F377 Y380 L444 L447 R448 S452 E453 S458 G459 I460 L481	F377-F456 HydrophobicContact CE1-CZ 4.27Å; Y380-F456 HydrophobicContact CD1-CE1 4.38Å; Y380-F456 HydrophobicContact CD1-CZ 4.21Å; Y380-F456 HydrophobicContact CE1-CE1 4Å; Y380-F456 HydrophobicContact CE1-CZ 4.05Å; L444-F456 HydrophobicContact CD2-CE2 4.18Å; L444-F456 HydrophobicContact CD2-CZ 4.28Å; L447-F456 HydrophobicContact CG-CD2 4.41Å; R448-F456 HydrophobicContact CB-CB 4.31Å; R448-F456 HydrophobicContact CB-CD1 4.11Å; R448-F456 HydrophobicContact CB-CD2 4.07Å; R448-F456 HydrophobicContact CB-CE1 4.48Å; R448-F456 HydrophobicContact CB-CE2 4.44Å; R448-F456 HydrophobicContact CB-CG 3.9Å; R448-F456 HydrophobicContact CG-CB 4.15Å; R448-F456 HydrophobicContact CG-CD1 4.01Å; R448-F456 HydrophobicContact CG-CG 4.04Å; S452-F456 WeakPolarHBondContact O-CB 3.41Å; S452-F456 PolarHBondContact O-N 3.45Å; S452-F456 VanDerWaalsContact O-N 3.09Å; E453-F456 PolarHBondContact O-N 3.02Å; E453-F456 VanDerWaalsContact O-N 3.13Å; F456-S458 PolarHBondContact O-N 3Å; F456-G459 PolarHBondContact O-N 2.91Å; F456-I460 HydrophobicContact CD1-CD1 4.47Å; F456-I460 HydrophobicContact CD1-CG2 4.46Å; F456-I460 HydrophobicContact CE1-CD1 4.2Å; F456-I460 HydrophobicContact CE1-CG2 4.1Å; F456-I460 HydrophobicContact CE2-CG2 4.36Å; F456-I460 HydrophobicContact CZ-CG2 4.04Å; F456-I460 WeakPolarHBondContact O-CG2 3.41Å; F456-I460 PolarHBondContact O-N 3.26Å; F456-L481 HydrophobicContact CD2-CD2 4.23Å
457	Q	91.7	Very high	90.5	Very high	51 Å²	51	35.9 Å²	35.9	24%	0.238	17%	0.172	C	C	.	.	H	α-helix	trans	-57.8	-47.8	178	-170.7	-173.9	13.8	0	0	111.5	Y295 E453 G459 I460 V461	Y295-Q457 VanDerWaalsContact CD2-NE2 3.34Å; Y295-Q457 HydrophobicContact CE1-CG 4.19Å; Y295-Q457 HydrophobicContact CE2-CG 4.07Å; Y295-Q457 PolarHBondContact O-NE2 3.4Å; E453-Q457 WeakPolarHBondContact O-CB 3.23Å; E453-Q457 PolarHBondContact O-N 2.91Å; Q457-G459 VanDerWaalsContact C-N 3.29Å; Q457-G459 PolarHBondContact O-N 3.34Å; Q457-I460 WeakPolarHBondContact O-CG1 3.25Å; Q457-I460 PolarHBondContact O-N 3.27Å; Q457-V461 VanDerWaalsContact O-CG2 3.32Å; Q457-V461 WeakPolarHBondContact O-CG2 3.32Å; Q457-V461 PolarHBondContact O-N 2.76Å
458	S	83.9	Confident	90.6	Very high	59 Å²	59	37.7 Å²	37.7	41%	0.413	19%	0.185	S	C	.	.	H	α-helix	trans	-60.8	-39.5	178.2	-63.3	0	0	0	0	112.4	D454 F456 V461 R462	D454-S458 WeakPolarHBondContact O-CB 3.23Å; D454-S458 PolarHBondContact O-N 2.93Å; D454-S458 PolarHBondContact O-OG 3.36Å; F456-S458 PolarHBondContact O-N 3Å; S458-V461 PolarHBondContact O-N 3.41Å; S458-R462 WeakPolarHBondContact O-CG 3.39Å; S458-R462 PolarHBondContact O-N 2.85Å
459	G	85.9	Confident	90.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.7	-39.6	178.5	0	0	0	0	0	113.7	V455 F456 Q457 R462 Y463	V455-G459 PolarHBondContact O-N 3.43Å; F456-G459 PolarHBondContact O-N 2.91Å; Q457-G459 VanDerWaalsContact C-N 3.29Å; Q457-G459 PolarHBondContact O-N 3.34Å; G459-R462 VanDerWaalsContact CA-NH2 3.35Å; G459-R462 PolarHBondContact O-N 2.87Å; G459-Y463 PolarHBondContact O-N 3.23Å
460	I	94.6	Very high	91.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.2	-35.6	175	64	174	0	0	0	111.8	Y295 F296 F359 F377 F456 Q457 Y463 L464 L481	Y295-I460 HydrophobicContact CE1-CD1 3.76Å; F296-I460 HydrophobicContact CD1-CD1 4.22Å; F296-I460 HydrophobicContact CE1-CD1 3.92Å; F359-I460 HydrophobicContact CZ-CB 4.17Å; F377-I460 HydrophobicContact CE1-CG2 3.79Å; F377-I460 HydrophobicContact CZ-CG2 4.31Å; F456-I460 HydrophobicContact CD1-CD1 4.47Å; F456-I460 HydrophobicContact CD1-CG2 4.46Å; F456-I460 HydrophobicContact CE1-CD1 4.2Å; F456-I460 HydrophobicContact CE1-CG2 4.1Å; F456-I460 HydrophobicContact CE2-CG2 4.36Å; F456-I460 HydrophobicContact CZ-CG2 4.04Å; F456-I460 WeakPolarHBondContact O-CG2 3.41Å; F456-I460 PolarHBondContact O-N 3.26Å; Q457-I460 WeakPolarHBondContact O-CG1 3.25Å; Q457-I460 PolarHBondContact O-N 3.27Å; I460-Y463 WeakPolarHBondContact O-CB 3.19Å; I460-Y463 PolarHBondContact O-N 3.33Å; I460-L464 WeakPolarHBondContact O-CB 3.39Å; I460-L464 WeakPolarHBondContact O-CG 3.33Å; I460-L464 PolarHBondContact O-N 3.41Å; I460-L481 HydrophobicContact CG2-CD2 4.39Å
461	V	91.6	Very high	91.5	Very high	17 Å²	17	38.6 Å²	38.6	10%	0.103	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-42.5	174.6	171.7	0	0	0	0	111	F296 Q457 S458 L464 R465	F296-V461 WeakPolarHBondContact O-CG1 3.39Å; F296-V461 VanDerWaalsContact O-CG2 3.23Å; F296-V461 WeakPolarHBondContact O-CG2 3.46Å; Q457-V461 VanDerWaalsContact O-CG2 3.32Å; Q457-V461 WeakPolarHBondContact O-CG2 3.32Å; Q457-V461 PolarHBondContact O-N 2.76Å; S458-V461 PolarHBondContact O-N 3.41Å; V461-L464 PolarHBondContact O-N 2.84Å; V461-R465 HydrophobicContact CG1-CG 4.44Å; V461-R465 WeakPolarHBondContact O-CB 3.22Å; V461-R465 WeakPolarHBondContact O-CG 3.23Å; V461-R465 PolarHBondContact O-N 2.04Å
462	R	89.9	Confident	92.1	Very high	33 Å²	33	38.6 Å²	38.6	13%	0.125	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-44.8	173.8	-74.3	-173.9	-58.1	-110.5	3.8	112	S458 G459 R465 K466 S480 N483 F490	S458-R462 WeakPolarHBondContact O-CG 3.39Å; S458-R462 PolarHBondContact O-N 2.85Å; G459-R462 VanDerWaalsContact CA-NH2 3.35Å; G459-R462 PolarHBondContact O-N 2.87Å; R462-R465 PolarHBondContact O-N 3.32Å; R462-K466 VanDerWaalsContact O-CB 3.25Å; R462-K466 WeakPolarHBondContact O-CB 3.33Å; R462-K466 PolarHBondContact O-N 3.12Å; R462-S480 PolarHBondContact NE-O 3.34Å; R462-S480 VanDerWaalsContact NE-O 3.11Å; R462-S480 PolarHBondContact NH2-O 3.41Å; R462-N483 PolarHBondContact NE-O 3.04Å; R462-N483 PolarHBondContact NH1-O 3.34Å; R462-N483 PolarHBondContact NH2-O 3.37Å; R462-F490 HydrophobicContact CG-CD2 4.19Å; R462-F490 HydrophobicContact CG-CE2 3.99Å
463	Y	95.9	Very high	92.6	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-56.4	-54.6	175.2	169.8	-101.1	0	0	0	110.8	F359 V363 G459 I460 R465 K466 F467 A472 L477	F359-Y463 HydrophobicContact CD1-CE1 4.22Å; F359-Y463 HydrophobicContact CE1-CD1 4.07Å; F359-Y463 HydrophobicContact CE1-CE1 4.04Å; V363-Y463 HydrophobicContact CB-CE1 4.25Å; V363-Y463 HydrophobicContact CG1-CE1 3.79Å; V363-Y463 HydrophobicContact CG1-CE2 4.41Å; V363-Y463 WeakPolarHBondContact CG1-OH 3.32Å; G459-Y463 PolarHBondContact O-N 3.23Å; I460-Y463 WeakPolarHBondContact O-CB 3.19Å; I460-Y463 PolarHBondContact O-N 3.33Å; Y463-R465 VanDerWaalsContact C-N 3.35Å; Y463-R465 PolarHBondContact O-N 3.11Å; Y463-K466 PolarHBondContact O-N 2.97Å; Y463-F467 AromaticContact CD2-CD2 3.7Å; Y463-F467 HydrophobicContact CD2-CD2 3.7Å; Y463-F467 HydrophobicContact CD2-CE2 4Å; Y463-F467 AromaticContact CE2-CD2 3.95Å; Y463-F467 HydrophobicContact CE2-CD2 3.95Å; Y463-F467 HydrophobicContact CE2-CE2 4.36Å; Y463-F467 HydrophobicContact CG-CD2 4.42Å; Y463-F467 VanDerWaalsContact O-CD2 3.3Å; Y463-F467 WeakPolarHBondContact O-CD2 3.31Å; Y463-F467 PolarHBondContact O-N 3.46Å; Y463-F467 VanDerWaalsContact O-N 3.08Å; Y463-A472 HydrophobicContact CE2-CB 3.61Å; Y463-A472 VanDerWaalsContact OH-CB 3.31Å; Y463-A472 WeakPolarHBondContact OH-CB 3.4Å; Y463-L477 HydrophobicContact CD1-CD1 4.43Å; Y463-L477 HydrophobicContact CD2-CB 4.29Å; Y463-L477 HydrophobicContact CD2-CD1 4.15Å; Y463-L477 HydrophobicContact CE2-CB 4.17Å; Y463-L477 HydrophobicContact CE2-CD1 4.47Å; Y463-L477 HydrophobicContact CG-CD1 4.11Å
464	L	97.1	Very high	92.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-43.3	-178.4	-71.3	173.2	0	0	0	112.3	F296 I298 W358 F359 V363 I460 V461 S468	F296-L464 HydrophobicContact CB-CD1 4.18Å; F296-L464 HydrophobicContact CD1-CD1 3.8Å; F296-L464 HydrophobicContact CD2-CD1 4.41Å; F296-L464 HydrophobicContact CE1-CD1 4.3Å; F296-L464 HydrophobicContact CG-CD1 3.88Å; I298-L464 HydrophobicContact CD1-CB 3.43Å; I298-L464 VanDerWaalsContact CD1-CB 3.43Å; I298-L464 HydrophobicContact CD1-CD1 4.24Å; I298-L464 HydrophobicContact CD1-CG 4.49Å; W358-L464 HydrophobicContact CB-CD1 4Å; W358-L464 HydrophobicContact CB-CD2 3.98Å; W358-L464 HydrophobicContact CG-CD1 4.34Å; F359-L464 HydrophobicContact CD1-CD2 3.97Å; F359-L464 HydrophobicContact CE1-CD1 4.33Å; F359-L464 HydrophobicContact CE1-CD2 3.8Å; F359-L464 HydrophobicContact CE1-CG 4.1Å; F359-L464 HydrophobicContact CE2-CD1 4.06Å; F359-L464 HydrophobicContact CG-CD2 4.4Å; F359-L464 HydrophobicContact CZ-CD1 3.81Å; F359-L464 HydrophobicContact CZ-CD2 4.12Å; F359-L464 HydrophobicContact CZ-CG 4.07Å; V363-L464 HydrophobicContact CB-CD2 4.22Å; V363-L464 HydrophobicContact CG2-CD2 3.8Å; I460-L464 WeakPolarHBondContact O-CB 3.39Å; I460-L464 WeakPolarHBondContact O-CG 3.33Å; I460-L464 PolarHBondContact O-N 3.41Å; V461-L464 PolarHBondContact O-N 2.84Å; L464-S468 WeakPolarHBondContact O-CA 3.49Å; L464-S468 WeakPolarHBondContact O-CB 3.42Å; L464-S468 PolarHBondContact O-N 2.99Å; L464-S468 PolarHBondContact O-OG 3.14Å
465	R	93.2	Very high	93.5	Very high	89 Å²	89	37.1 Å²	37.1	34%	0.336	18%	0.184	S	C	.	.	H	α-helix	trans	-66.5	-44.2	177.5	-72.1	-178	177.9	173.5	-1.8	112.7	N297 I298 V461 R462 Y463 F467 F490	N297-R465 PolarHBondContact ND2-NH2 3.28Å; N297-R465 PolarHBondContact O-NH2 3.48Å; I298-R465 HydrophobicContact CD1-CG 3.77Å; I298-R465 HydrophobicContact CG1-CG 3.96Å; V461-R465 HydrophobicContact CG1-CG 4.44Å; V461-R465 WeakPolarHBondContact O-CB 3.22Å; V461-R465 WeakPolarHBondContact O-CG 3.23Å; V461-R465 PolarHBondContact O-N 2.04Å; R462-R465 PolarHBondContact O-N 3.32Å; Y463-R465 VanDerWaalsContact C-N 3.35Å; Y463-R465 PolarHBondContact O-N 3.11Å; R465-F467 VanDerWaalsContact C-N 3.33Å; R465-F467 PolarHBondContact O-N 3.35Å; R465-F490 HydrophobicContact CB-CZ 3.85Å; R465-F490 HydrophobicContact CG-CZ 4.25Å
466	K	93.4	Very high	94.1	Very high	120 Å²	120	37.5 Å²	37.5	52%	0.522	19%	0.185	S	C	.	.	H	α-helix	trans	-63.8	-38.6	-177.8	179.4	176.9	171.4	-169	0	112	R462 Y463	R462-K466 VanDerWaalsContact O-CB 3.25Å; R462-K466 WeakPolarHBondContact O-CB 3.33Å; R462-K466 PolarHBondContact O-N 3.12Å; Y463-K466 PolarHBondContact O-N 2.97Å
467	F	97.1	Very high	94.3	Very high	28 Å²	28	37.5 Å²	37.5	12%	0.123	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	11.5	-174.3	-62.4	-79	0	0	0	113.8	V363 Y463 R465 Y469 G470 N471 A472 D476	V363-F467 HydrophobicContact CB-CB 4.42Å; V363-F467 HydrophobicContact CG1-CB 3.61Å; V363-F467 HydrophobicContact CG2-CB 3.94Å; Y463-F467 AromaticContact CD2-CD2 3.7Å; Y463-F467 HydrophobicContact CD2-CD2 3.7Å; Y463-F467 HydrophobicContact CD2-CE2 4Å; Y463-F467 AromaticContact CE2-CD2 3.95Å; Y463-F467 HydrophobicContact CE2-CD2 3.95Å; Y463-F467 HydrophobicContact CE2-CE2 4.36Å; Y463-F467 HydrophobicContact CG-CD2 4.42Å; Y463-F467 VanDerWaalsContact O-CD2 3.3Å; Y463-F467 WeakPolarHBondContact O-CD2 3.31Å; Y463-F467 PolarHBondContact O-N 3.46Å; Y463-F467 VanDerWaalsContact O-N 3.08Å; R465-F467 VanDerWaalsContact C-N 3.33Å; R465-F467 PolarHBondContact O-N 3.35Å; F467-Y469 PolarHBondContact O-N 2.74Å; F467-G470 WeakPolarHBondContact O-CA 3.47Å; F467-G470 PolarHBondContact O-N 2.81Å; F467-N471 WeakPolarHBondContact CD1-O 3.4Å; F467-A472 HydrophobicContact CD1-CB 4.2Å; F467-A472 HydrophobicContact CD2-CB 4.46Å; F467-A472 HydrophobicContact CG-CB 4.15Å; F467-D476 HydrophobicContact CE1-CB 4.01Å; F467-D476 HydrophobicContact CE2-CB 3.66Å; F467-D476 HydrophobicContact CZ-CB 3.36Å; F467-D476 VanDerWaalsContact CZ-OD1 3.28Å; F467-D476 WeakPolarHBondContact CZ-OD1 3.19Å
468	S	97.6	Very high	94.3	Very high	39 Å²	39	35 Å²	35	27%	0.273	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	128.2	178.7	-77.5	0	0	0	0	111.9	L464 G470	L464-S468 WeakPolarHBondContact O-CA 3.49Å; L464-S468 WeakPolarHBondContact O-CB 3.42Å; L464-S468 PolarHBondContact O-N 2.99Å; L464-S468 PolarHBondContact O-OG 3.14Å; S468-G470 PolarHBondContact O-N 3.25Å
469	Y	98.1	Very high	94.6	Very high	89 Å²	89	34.8 Å²	34.8	35%	0.349	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	13.2	-174.6	-49.8	-73.7	0	0	0	115.1	K199 V239 P301 W321 L362 F467	K199-Y469 WeakPolarHBondContact CD-O 3.5Å; V239-Y469 HydrophobicContact CB-CD1 4.17Å; V239-Y469 HydrophobicContact CB-CE1 3.75Å; V239-Y469 HydrophobicContact CG1-CE1 4.02Å; V239-Y469 HydrophobicContact CG2-CD1 4.35Å; V239-Y469 HydrophobicContact CG2-CE1 3.95Å; P301-Y469 VanDerWaalsContact CB-OH 3.3Å; P301-Y469 WeakPolarHBondContact CB-OH 3.48Å; W321-Y469 AromaticContact CH2-CD1 3.93Å; W321-Y469 HydrophobicContact CH2-CD1 3.93Å; W321-Y469 AromaticContact CH2-CE1 3.76Å; W321-Y469 HydrophobicContact CH2-CE1 3.76Å; W321-Y469 HydrophobicContact CZ2-CE1 4.39Å; W321-Y469 HydrophobicContact CZ3-CD1 4.48Å; L362-Y469 HydrophobicContact CD1-CD1 4.03Å; L362-Y469 HydrophobicContact CD1-CD2 4.23Å; L362-Y469 HydrophobicContact CD1-CE1 3.84Å; L362-Y469 HydrophobicContact CD1-CE2 4.06Å; L362-Y469 HydrophobicContact CD1-CG 4.23Å; L362-Y469 WeakPolarHBondContact O-CA 3.26Å; L362-Y469 PolarHBondContact O-N 2.67Å; F467-Y469 PolarHBondContact O-N 2.74Å
470	G	97.8	Very high	94.6	Very high	23 Å²	23	35 Å²	35	24%	0.237	17%	0.169	C	C	.	.	S	Bend	trans	-119.4	-161.6	177.1	0	0	0	0	0	112.3	K199 T364 F467 S468	K199-G470 WeakPolarHBondContact CE-O 3.48Å; K199-G470 PolarHBondContact NZ-O 3.27Å; T364-G470 PolarHBondContact N-O 2.82Å; F467-G470 WeakPolarHBondContact O-CA 3.47Å; F467-G470 PolarHBondContact O-N 2.81Å; S468-G470 PolarHBondContact O-N 3.25Å
471	N	98.6	Very high	94.2	Very high	31 Å²	31	35 Å²	35	17%	0.166	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.1	178	-59.5	75.9	0	0	0	111.4	P196 T364 M365 D366 F467	P196-N471 PolarHBondContact O-ND2 3.09Å; T364-N471 CarbonylContact O-C 3.58Å; T364-N471 WeakPolarHBondContact O-CA 3.16Å; T364-N471 WeakPolarHBondContact O-CB 3.49Å; M365-N471 PolarHBondContact O-ND2 2.62Å; D366-N471 HydrophobicContact CB-CB 4.21Å; F467-N471 WeakPolarHBondContact CD1-O 3.4Å
472	A	97.9	Very high	93.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.2	-179.8	0	0	0	0	0	112.7	V363 T364 M365 D366 Y463 F467 D476	V363-A472 HydrophobicContact CG1-CB 4.04Å; T364-A472 PolarHBondContact O-N 3.06Å; M365-A472 WeakPolarHBondContact CA-O 3.43Å; D366-A472 PolarHBondContact N-O 3.08Å; Y463-A472 HydrophobicContact CE2-CB 3.61Å; Y463-A472 VanDerWaalsContact OH-CB 3.31Å; Y463-A472 WeakPolarHBondContact OH-CB 3.4Å; F467-A472 HydrophobicContact CD1-CB 4.2Å; F467-A472 HydrophobicContact CD2-CB 4.46Å; F467-A472 HydrophobicContact CG-CB 4.15Å; A472-D476 HydrophobicContact CB-CB 4.07Å
473	H	96.4	Very high	92.5	Very high	87 Å²	87	36.4 Å²	36.4	40%	0.403	18%	0.181	S	C	.	.			trans	-111.8	170.1	172.7	-58.2	43.5	0	0	0	109.5	D366 Q475 D476	D366-H473 WeakPolarHBondContact CB-CE1 3.34Å; D366-H473 IonicContact OD1-CE1 3.18Å; D366-H473 IonicContact OD2-CE1 3.51Å; D366-H473 IonicContact OD2-NE2 2.71Å; H473-Q475 PolarHBondContact O-N 3.29Å; H473-Q475 VanDerWaalsContact O-N 3.15Å; H473-D476 PolarHBondContact N-OD2 3.11Å; H473-D476 IonicContact ND1-OD2 2.75Å; H473-D476 WeakPolarHBondContact O-CB 3.39Å; H473-D476 PolarHBondContact O-N 3.43Å; H473-D476 VanDerWaalsContact O-N 3.07Å
474	N	93.3	Very high	90.7	Very high	11 Å²	11	38.9 Å²	38.9	6%	0.059	20%	0.196	C	C	.	.	H	α-helix	trans	-52.1	-40.7	177.1	-69.3	-18.5	0	0	0	114.7	D370 W372 S419 D476 L477 W478	D370-N474 VanDerWaalsContact CG-CG 3.44Å; D370-N474 VanDerWaalsContact OD1-CG 3.24Å; D370-N474 PolarHBondContact OD1-ND2 3.25Å; D370-N474 PolarHBondContact OD1-OD1 3.47Å; D370-N474 PolarHBondContact OD2-N 3.19Å; D370-N474 VanDerWaalsContact OD2-N 3.12Å; D370-N474 PolarHBondContact OD2-OD1 2.48Å; W372-N474 PolarHBondContact NE1-OD1 2.81Å; S419-N474 WeakPolarHBondContact CB-ND2 3.47Å; S419-N474 PolarHBondContact OG-ND2 3.03Å; S419-N474 VanDerWaalsContact OG-ND2 3.11Å; N474-D476 VanDerWaalsContact C-N 3.26Å; N474-D476 PolarHBondContact O-N 2.7Å; N474-L477 PolarHBondContact O-N 3.45Å; N474-W478 VanDerWaalsContact O-CD1 3.26Å; N474-W478 PolarHBondContact O-N 2.95Å; N474-W478 PolarHBondContact O-NE1 3.22Å
475	Q	95.1	Very high	88.6	Confident	74 Å²	74	40.7 Å²	40.7	35%	0.346	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-36.1	-177.6	-172.3	60.4	49.5	0	0	111.7	H473 L477 W478 D479 T517	H473-Q475 PolarHBondContact O-N 3.29Å; H473-Q475 VanDerWaalsContact O-N 3.15Å; Q475-L477 VanDerWaalsContact C-N 3.27Å; Q475-L477 PolarHBondContact O-N 3.04Å; Q475-W478 PolarHBondContact O-N 3.22Å; Q475-W478 VanDerWaalsContact O-N 3.15Å; Q475-D479 PolarHBondContact NE2-OD1 2.75Å; Q475-D479 WeakPolarHBondContact O-CB 3.42Å; Q475-D479 PolarHBondContact O-N 2.76Å; Q475-T517 PolarHBondContact NE2-OG1 2.91Å; Q475-T517 VanDerWaalsContact NE2-OG1 3.14Å
476	D	95.8	Very high	86.6	Confident	35 Å²	35	39.2 Å²	39.2	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-35.7	-179.8	-69.4	-48.4	0	0	0	112.6	F467 A472 H473 N474 S480	F467-D476 HydrophobicContact CE1-CB 4.01Å; F467-D476 HydrophobicContact CE2-CB 3.66Å; F467-D476 HydrophobicContact CZ-CB 3.36Å; F467-D476 VanDerWaalsContact CZ-OD1 3.28Å; F467-D476 WeakPolarHBondContact CZ-OD1 3.19Å; A472-D476 HydrophobicContact CB-CB 4.07Å; H473-D476 PolarHBondContact N-OD2 3.11Å; H473-D476 IonicContact ND1-OD2 2.75Å; H473-D476 WeakPolarHBondContact O-CB 3.39Å; H473-D476 PolarHBondContact O-N 3.43Å; H473-D476 VanDerWaalsContact O-N 3.07Å; N474-D476 VanDerWaalsContact C-N 3.26Å; N474-D476 PolarHBondContact O-N 2.7Å; D476-S480 WeakPolarHBondContact O-CB 3.45Å; D476-S480 PolarHBondContact O-N 3.16Å; D476-S480 VanDerWaalsContact O-N 3.07Å; D476-S480 PolarHBondContact O-OG 3.32Å
477	L	95.5	Very high	84.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-46.8	174.2	176.5	65.6	0	0	0	111.2	W372 L373 F377 Y463 N474 Q475 D479 S480 L481	W372-L477 HydrophobicContact CH2-CD2 3.72Å; W372-L477 HydrophobicContact CZ2-CD2 4.25Å; L373-L477 HydrophobicContact CD2-CB 4.27Å; L373-L477 HydrophobicContact CD2-CD2 3.8Å; F377-L477 HydrophobicContact CE2-CD1 4.09Å; F377-L477 HydrophobicContact CE2-CD2 3.55Å; F377-L477 HydrophobicContact CE2-CG 4.47Å; F377-L477 HydrophobicContact CZ-CD1 3.72Å; F377-L477 HydrophobicContact CZ-CD2 3.82Å; F377-L477 HydrophobicContact CZ-CG 4.41Å; Y463-L477 HydrophobicContact CD1-CD1 4.43Å; Y463-L477 HydrophobicContact CD2-CB 4.29Å; Y463-L477 HydrophobicContact CD2-CD1 4.15Å; Y463-L477 HydrophobicContact CE2-CB 4.17Å; Y463-L477 HydrophobicContact CE2-CD1 4.47Å; Y463-L477 HydrophobicContact CG-CD1 4.11Å; N474-L477 PolarHBondContact O-N 3.45Å; Q475-L477 VanDerWaalsContact C-N 3.27Å; Q475-L477 PolarHBondContact O-N 3.04Å; L477-D479 VanDerWaalsContact C-N 3.33Å; L477-D479 PolarHBondContact O-N 3.08Å; L477-S480 PolarHBondContact O-N 3.13Å; L477-S480 VanDerWaalsContact O-N 3.16Å; L477-L481 HydrophobicContact CD1-CD1 3.84Å; L477-L481 HydrophobicContact CD1-CG 4.32Å; L477-L481 HydrophobicContact CG-CD1 3.85Å; L477-L481 PolarHBondContact O-N 3.15Å
478	W	92.6	Very high	82.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-40.1	178.6	-52.4	143.8	0	0	0	112.2	W372 L447 N474 Q475 S480 L481 S482 M520 N521 T524	W372-W478 AromaticContact CH2-CH2 3.51Å; W372-W478 HydrophobicContact CH2-CH2 3.51Å; W372-W478 AromaticContact CH2-CZ2 3.82Å; W372-W478 HydrophobicContact CH2-CZ2 3.82Å; W372-W478 HydrophobicContact CH2-CZ3 4.47Å; W372-W478 HydrophobicContact CZ2-CH2 4.09Å; W372-W478 AromaticContact CZ2-CZ2 3.91Å; W372-W478 HydrophobicContact CZ2-CZ2 3.91Å; L447-W478 HydrophobicContact CD2-CZ3 3.73Å; N474-W478 VanDerWaalsContact O-CD1 3.26Å; N474-W478 PolarHBondContact O-N 2.95Å; N474-W478 PolarHBondContact O-NE1 3.22Å; Q475-W478 PolarHBondContact O-N 3.22Å; Q475-W478 VanDerWaalsContact O-N 3.15Å; W478-S480 VanDerWaalsContact C-N 3.29Å; W478-S480 PolarHBondContact O-N 2.77Å; W478-L481 HydrophobicContact CE3-CD1 4.02Å; W478-L481 HydrophobicContact CZ3-CD1 4.09Å; W478-L481 PolarHBondContact O-N 3.11Å; W478-S482 VanDerWaalsContact O-CB 3.29Å; W478-S482 WeakPolarHBondContact O-CB 3.49Å; W478-S482 PolarHBondContact O-N 3.46Å; W478-S482 PolarHBondContact O-OG 2.93Å; W478-M520 HydrophobicContact CD2-CB 3.68Å; W478-M520 HydrophobicContact CD2-CG 4.13Å; W478-M520 VanDerWaalsContact CE2-CB 3.44Å; W478-M520 HydrophobicContact CE3-CB 3.83Å; W478-M520 HydrophobicContact CE3-CG 3.78Å; W478-M520 HydrophobicContact CG-CB 4.43Å; W478-M520 HydrophobicContact CH2-CB 3.61Å; W478-M520 HydrophobicContact CH2-CE 3.61Å; W478-M520 HydrophobicContact CH2-CG 3.89Å; W478-M520 HydrophobicContact CZ2-CB 3.43Å; W478-M520 VanDerWaalsContact CZ2-CB 3.43Å; W478-M520 HydrophobicContact CZ2-CE 4.37Å; W478-M520 HydrophobicContact CZ2-CG 4.23Å; W478-M520 HydrophobicContact CZ3-CB 3.81Å; W478-M520 HydrophobicContact CZ3-CE 3.96Å; W478-M520 HydrophobicContact CZ3-CG 3.67Å; W478-N521 PolarHBondContact NE1-OD1 2.67Å; W478-T524 HydrophobicContact CH2-CG2 4.32Å; W478-T524 HydrophobicContact CZ2-CG2 3.7Å
479	D	88.6	Confident	79.8	Confident	53 Å²	53	47.3 Å²	47.3	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-39.4	174.6	-68.3	-7.4	0	0	0	110.7	Q475 L477 S482 N483	Q475-D479 PolarHBondContact NE2-OD1 2.75Å; Q475-D479 WeakPolarHBondContact O-CB 3.42Å; Q475-D479 PolarHBondContact O-N 2.76Å; L477-D479 VanDerWaalsContact C-N 3.33Å; L477-D479 PolarHBondContact O-N 3.08Å; D479-S482 WeakPolarHBondContact CA-OG 3.21Å; D479-S482 PolarHBondContact O-OG 3.33Å; D479-S482 VanDerWaalsContact O-OG 3.11Å; D479-N483 WeakPolarHBondContact O-CB 3.44Å; D479-N483 VanDerWaalsContact O-CG 3.23Å; D479-N483 PolarHBondContact O-N 3.03Å; D479-N483 PolarHBondContact O-ND2 3.37Å
480	S	87.6	Confident	77.5	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-71.3	-35.9	179.8	-58.3	0	0	0	0	113.2	R462 D476 L477 W478	R462-S480 PolarHBondContact NE-O 3.34Å; R462-S480 VanDerWaalsContact NE-O 3.11Å; R462-S480 PolarHBondContact NH2-O 3.41Å; D476-S480 WeakPolarHBondContact O-CB 3.45Å; D476-S480 PolarHBondContact O-N 3.16Å; D476-S480 VanDerWaalsContact O-N 3.07Å; D476-S480 PolarHBondContact O-OG 3.32Å; L477-S480 PolarHBondContact O-N 3.13Å; L477-S480 VanDerWaalsContact O-N 3.16Å; W478-S480 VanDerWaalsContact C-N 3.29Å; W478-S480 PolarHBondContact O-N 2.77Å
481	L	85.4	Confident	75	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-77.1	-31.8	177.3	-73.6	163.4	0	0	0	112.8	L447 L451 F456 I460 L477 W478 L516	L447-L481 HydrophobicContact CD2-CD1 3.77Å; L451-L481 HydrophobicContact CD1-CB 4.41Å; L451-L481 HydrophobicContact CD1-CD2 4.02Å; F456-L481 HydrophobicContact CD2-CD2 4.23Å; I460-L481 HydrophobicContact CG2-CD2 4.39Å; L477-L481 HydrophobicContact CD1-CD1 3.84Å; L477-L481 HydrophobicContact CD1-CG 4.32Å; L477-L481 HydrophobicContact CG-CD1 3.85Å; L477-L481 PolarHBondContact O-N 3.15Å; W478-L481 HydrophobicContact CE3-CD1 4.02Å; W478-L481 HydrophobicContact CZ3-CD1 4.09Å; W478-L481 PolarHBondContact O-N 3.11Å; L481-L516 HydrophobicContact CB-CD2 3.59Å
482	S	79.3	Confident	72.6	Confident	28 Å²	28	53 Å²	53	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-76.5	-34.8	178.8	54.8	0	0	0	0	113.6	W478 D479 T484 Y507	W478-S482 VanDerWaalsContact O-CB 3.29Å; W478-S482 WeakPolarHBondContact O-CB 3.49Å; W478-S482 PolarHBondContact O-N 3.46Å; W478-S482 PolarHBondContact O-OG 2.93Å; D479-S482 WeakPolarHBondContact CA-OG 3.21Å; D479-S482 PolarHBondContact O-OG 3.33Å; D479-S482 VanDerWaalsContact O-OG 3.11Å; S482-T484 PolarHBondContact O-N 3.4Å; S482-Y507 PolarHBondContact O-OH 2.87Å
483	N	66.3	Low	70	Confident	50 Å²	50	57.7 Å²	57.7	27%	0.267	33%	0.329	S	S	.	.			trans	-80.7	95.9	-178.1	-71.1	-43.8	0	0	0	112.2	R462 D479	R462-N483 PolarHBondContact NE-O 3.04Å; R462-N483 PolarHBondContact NH1-O 3.34Å; R462-N483 PolarHBondContact NH2-O 3.37Å; D479-N483 WeakPolarHBondContact O-CB 3.44Å; D479-N483 VanDerWaalsContact O-CG 3.23Å; D479-N483 PolarHBondContact O-N 3.03Å; D479-N483 PolarHBondContact O-ND2 3.37Å
484	T	58.8	Low	67.4	Low	53 Å²	53	61.8 Å²	61.8	33%	0.325	35%	0.345	S	S	.	.			trans	-89	124.9	170.2	73.9	0	0	0	0	110.9	V455 S482 N505	V455-T484 HydrophobicContact CG1-CG2 4.45Å; S482-T484 PolarHBondContact O-N 3.4Å; T484-N505 WeakPolarHBondContact CG2-OD1 3.45Å; T484-N505 PolarHBondContact OG1-OD1 3.44Å
485	C	52.8	Low	65	Low	39 Å²	39	69.3 Å²	69.3	26%	0.264	38%	0.38	S	S	.	.			trans	-124.2	158	175.5	-43.8	0	0	0	0	109.7	D489 C496	C485-D489 HydrophobicContact CB-CB 4.27Å; C485-C496 HydrophobicContact CB-CB 4.37Å; C485-C496 WeakPolarHBondContact CB-SG 3.31Å; C485-C496 WeakPolarHBondContact SG-CB 3.46Å; C485-C496 CovalentContact SG-SG 2.06Å; C485-C496 PolarHBondContact SG-SG 2.92Å
486	S	51.1	Low	62.7	Low	57 Å²	57	67.9 Å²	67.9	40%	0.399	38%	0.378	S	S	.	.			trans	-68.6	157.1	167	76.3	0	0	0	0	110.7	D488 D489 F490	S486-D488 PolarHBondContact O-N 3.1Å; S486-D489 PolarHBondContact O-N 3.11Å; S486-D489 VanDerWaalsContact OG-CG 3.23Å; S486-D489 PolarHBondContact OG-N 2.81Å; S486-D489 PolarHBondContact OG-OD2 2.59Å; S486-F490 PolarHBondContact O-N 2.76Å
487	E	45.8	Very low	60.2	Low	167 Å²	167	75.9 Å²	75.9	78%	0.78	41%	0.406	S	S	*	.	H	α-helix	trans	-57.3	-35.2	178	-76.2	-162.1	143.9	0	0	112.6
488	D	49.5	Very low	57.6	Low	134 Å²	134	78.3 Å²	78.3	72%	0.717	42%	0.424	S	S	*	.	H	α-helix	trans	-68	-40.5	-179.8	-68.4	-35.5	0	0	0	111.9	S486 F490 T491	S486-D488 PolarHBondContact O-N 3.1Å; D488-F490 VanDerWaalsContact C-N 3.34Å; D488-F490 PolarHBondContact O-N 3.27Å; D488-T491 PolarHBondContact O-N 3.33Å; D488-T491 PolarHBondContact O-OG1 3.44Å
489	D	49.6	Very low	55.2	Low	56 Å²	56	83.2 Å²	83.2	30%	0.299	46%	0.458	S	S	.	.	H	α-helix	trans	-69.6	-32.2	-178.1	-65.9	-45.5	0	0	0	112.1	C485 S486 T491 S492	C485-D489 HydrophobicContact CB-CB 4.27Å; S486-D489 PolarHBondContact O-N 3.11Å; S486-D489 VanDerWaalsContact OG-CG 3.23Å; S486-D489 PolarHBondContact OG-N 2.81Å; S486-D489 PolarHBondContact OG-OD2 2.59Å; D489-T491 VanDerWaalsContact C-N 3.27Å; D489-T491 PolarHBondContact O-N 3.33Å; D489-S492 PolarHBondContact O-N 2.89Å; D489-S492 PolarHBondContact O-OG 2.93Å
490	F	49.3	Very low	53.2	Low	80 Å²	80	87 Å²	87	35%	0.351	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-31.5	178.5	-179.4	-99.7	0	0	0	113.1	R462 R465 S486 D488 S492	R462-F490 HydrophobicContact CG-CD2 4.19Å; R462-F490 HydrophobicContact CG-CE2 3.99Å; R465-F490 HydrophobicContact CB-CZ 3.85Å; R465-F490 HydrophobicContact CG-CZ 4.25Å; S486-F490 PolarHBondContact O-N 2.76Å; D488-F490 VanDerWaalsContact C-N 3.34Å; D488-F490 PolarHBondContact O-N 3.27Å; F490-S492 PolarHBondContact O-N 2.79Å
491	T	46.5	Very low	51	Low	120 Å²	120	92 Å²	92	74%	0.736	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.3	-178.5	65.7	0	0	0	0	114.1	D488 D489	D488-T491 PolarHBondContact O-N 3.33Å; D488-T491 PolarHBondContact O-OG1 3.44Å; D489-T491 VanDerWaalsContact C-N 3.27Å; D489-T491 PolarHBondContact O-N 3.33Å
492	S	47.9	Very low	49	Very low	64 Å²	64	94.6 Å²	94.6	45%	0.448	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	0.2	-169.2	75.2	0	0	0	0	116.1	D489 F490 K494	D489-S492 PolarHBondContact O-N 2.89Å; D489-S492 PolarHBondContact O-OG 2.93Å; F490-S492 PolarHBondContact O-N 2.79Å; S492-K494 PolarHBondContact O-N 3.42Å
493	A	42.4	Very low	47.2	Very low	97 Å²	97	97 Å²	97	80%	0.802	54%	0.539	S	S	*	.			trans	54.6	9	178.4	0	0	0	0	0	117.1
494	K	42.6	Very low	46.3	Very low	173 Å²	173	103.3 Å²	103.3	75%	0.752	56%	0.564	S	S	*	*			trans	-88.8	135.4	173.5	-70.8	-178	-179.6	177.9	0	110.2	S492 C496	S492-K494 PolarHBondContact O-N 3.42Å; K494-C496 PolarHBondContact O-N 3.05Å
495	H	42.5	Very low	45.9	Very low	169 Å²	169	102.7 Å²	102.7	78%	0.782	56%	0.559	S	S	*	*			trans	-57.6	122.6	177.1	-66.3	-1	0	0	0	110.4	Y497	H495-Y497 PolarHBondContact O-N 2.69Å
496	C	48.3	Very low	45.7	Very low	44 Å²	44	104 Å²	104	30%	0.297	57%	0.573	S	S	.	*			trans	-68.5	98.9	179.8	-57.6	0	0	0	0	110	C485 K494	C485-C496 HydrophobicContact CB-CB 4.37Å; C485-C496 WeakPolarHBondContact CB-SG 3.31Å; C485-C496 WeakPolarHBondContact SG-CB 3.46Å; C485-C496 CovalentContact SG-SG 2.06Å; C485-C496 PolarHBondContact SG-SG 2.92Å; K494-C496 PolarHBondContact O-N 3.05Å
497	Y	42	Very low	45.9	Very low	203 Å²	203	102.6 Å²	102.6	80%	0.796	56%	0.559	S	S	*	*			trans	-143.6	94.2	157.5	-80.8	-79.9	0	0	0	108.9	H495	H495-Y497 PolarHBondContact O-N 2.69Å
498	S	41.8	Very low	46.2	Very low	52 Å²	52	98.8 Å²	98.8	36%	0.364	54%	0.543	S	S	.	.			trans	-111.8	129.8	147	78	0	0	0	0	107.3	D500 Q501	S498-D500 PolarHBondContact O-N 2.75Å; S498-Q501 PolarHBondContact O-N 2.77Å; S498-Q501 WeakPolarHBondContact OG-CG 3.17Å; S498-Q501 PolarHBondContact OG-OE1 3.01Å; S498-Q501 VanDerWaalsContact OG-OE1 3.07Å
499	S	42.5	Very low	46.3	Very low	103 Å²	103	93.4 Å²	93.4	72%	0.72	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-24.5	178.5	48.1	0	0	0	0	113
500	D	45.6	Very low	46.2	Very low	132 Å²	132	92.3 Å²	92.3	71%	0.706	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-12.5	-168.6	-54.7	-12.1	0	0	0	112.3	S498 S503	S498-D500 PolarHBondContact O-N 2.75Å; D500-S503 PolarHBondContact O-OG 2.75Å
501	Q	42.3	Very low	46.2	Very low	111 Å²	111	91.6 Å²	91.6	52%	0.519	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-15.7	177.4	-71.9	174.9	-35.7	0	0	114.2	S498 S503 K504	S498-Q501 PolarHBondContact O-N 2.77Å; S498-Q501 WeakPolarHBondContact OG-CG 3.17Å; S498-Q501 PolarHBondContact OG-OE1 3.01Å; S498-Q501 VanDerWaalsContact OG-OE1 3.07Å; Q501-S503 PolarHBondContact O-N 2.75Å; Q501-S503 VanDerWaalsContact O-N 3.17Å; Q501-K504 PolarHBondContact O-N 2.89Å
502	A	43.3	Very low	46.2	Very low	54 Å²	54	93 Å²	93	45%	0.446	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.5	179.2	0	0	0	0	0	114	K504 N505	A502-K504 PolarHBondContact O-N 3.3Å; A502-N505 PolarHBondContact O-N 3.44Å; A502-N505 PolarHBondContact O-ND2 3.4Å
503	S	40.8	Very low	46.5	Very low	78 Å²	78	98.5 Å²	98.5	55%	0.545	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-74.6	-4.5	-178	48.6	0	0	0	0	114.6	D500 Q501	D500-S503 PolarHBondContact O-OG 2.75Å; Q501-S503 PolarHBondContact O-N 2.75Å; Q501-S503 VanDerWaalsContact O-N 3.17Å
504	K	46.4	Very low	47.6	Very low	183 Å²	183	95.4 Å²	95.4	80%	0.796	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-98.7	18.7	174.1	-67.6	-174.6	-178.8	178	0	114	Q501 A502 A506	Q501-K504 PolarHBondContact O-N 2.89Å; A502-K504 PolarHBondContact O-N 3.3Å; K504-A506 PolarHBondContact O-N 3.18Å
505	N	50.5	Low	49.6	Very low	41 Å²	41	92 Å²	92	22%	0.219	50%	0.504	C	S	.	.			trans	-76.6	99.6	172	-74.5	-43.7	0	0	0	110.2	T484 A502 Y507	T484-N505 WeakPolarHBondContact CG2-OD1 3.45Å; T484-N505 PolarHBondContact OG1-OD1 3.44Å; A502-N505 PolarHBondContact O-N 3.44Å; A502-N505 PolarHBondContact O-ND2 3.4Å; N505-Y507 HydrophobicContact CB-CD2 3.66Å; N505-Y507 HydrophobicContact CB-CE2 3.34Å; N505-Y507 HydrophobicContact CB-CG 4.5Å; N505-Y507 PolarHBondContact O-N 3.43Å
506	A	48.7	Very low	51.8	Low	67 Å²	67	84.1 Å²	84.1	55%	0.554	47%	0.467	S	S	*	.			trans	-74.9	61.9	173.4	0	0	0	0	0	111.2	K504 L508	K504-A506 PolarHBondContact O-N 3.18Å; A506-L508 PolarHBondContact O-N 2.77Å
507	Y	56.2	Low	53.9	Low	26 Å²	26	83.1 Å²	83.1	10%	0.102	46%	0.46	C	S	.	.			trans	-67.7	111.2	166.4	-60.2	-63.4	0	0	0	107.9	L451 S482 N505 F509 L514	L451-Y507 HydrophobicContact CD2-CD1 3.8Å; L451-Y507 HydrophobicContact CD2-CE1 3.99Å; S482-Y507 PolarHBondContact O-OH 2.87Å; N505-Y507 HydrophobicContact CB-CD2 3.66Å; N505-Y507 HydrophobicContact CB-CE2 3.34Å; N505-Y507 HydrophobicContact CB-CG 4.5Å; N505-Y507 PolarHBondContact O-N 3.43Å; Y507-F509 PolarHBondContact O-N 2.71Å; Y507-L514 HydrophobicContact CD2-CB 4.49Å
508	L	52.3	Low	56.3	Low	87 Å²	87	75.1 Å²	75.1	46%	0.455	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-11.8	-174.1	-73.9	171.8	0	0	0	114.7	A506	A506-L508 PolarHBondContact O-N 2.77Å
509	F	51.4	Low	58.8	Low	22 Å²	22	72.6 Å²	72.6	10%	0.096	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-7.3	-163.9	-65.6	-108.7	0	0	0	114.6	Y449 F450 Y507 P571 T573 R584 M586	Y449-F509 VanDerWaalsContact O-CE2 3.23Å; Y449-F509 WeakPolarHBondContact O-CE2 3.32Å; Y449-F509 WeakPolarHBondContact O-CZ 3.44Å; F450-F509 VanDerWaalsContact C-CE2 3.41Å; F450-F509 HydrophobicContact CB-CD2 4.42Å; F450-F509 HydrophobicContact CB-CE2 4.13Å; F450-F509 HydrophobicContact CB-CZ 4.33Å; F450-F509 HydrophobicContact CD2-CB 3.86Å; F450-F509 AromaticContact CD2-CD1 3.61Å; F450-F509 HydrophobicContact CD2-CD1 3.61Å; F450-F509 AromaticContact CD2-CD2 3.18Å; F450-F509 HydrophobicContact CD2-CD2 3.18Å; F450-F509 AromaticContact CD2-CE1 3.83Å; F450-F509 HydrophobicContact CD2-CE1 3.83Å; F450-F509 AromaticContact CD2-CE2 3.57Å; F450-F509 HydrophobicContact CD2-CE2 3.57Å; F450-F509 AromaticContact CD2-CG 3.26Å; F450-F509 HydrophobicContact CD2-CG 3.26Å; F450-F509 AromaticContact CD2-CZ 3.78Å; F450-F509 HydrophobicContact CD2-CZ 3.78Å; F450-F509 HydrophobicContact CE2-CB 3.09Å; F450-F509 AromaticContact CE2-CD1 3.64Å; F450-F509 HydrophobicContact CE2-CD1 3.64Å; F450-F509 AromaticContact CE2-CD2 3.36Å; F450-F509 HydrophobicContact CE2-CD2 3.36Å; F450-F509 HydrophobicContact CE2-CE1 4.32Å; F450-F509 HydrophobicContact CE2-CE2 4.21Å; F450-F509 AromaticContact CE2-CG 3.06Å; F450-F509 HydrophobicContact CE2-CG 3.06Å; F450-F509 AromaticContact CG-CD2 3.87Å; F450-F509 HydrophobicContact CG-CD2 3.87Å; F450-F509 HydrophobicContact CG-CE2 4.07Å; F450-F509 HydrophobicContact CG-CG 4.34Å; F450-F509 HydrophobicContact CG-CZ 4.46Å; F450-F509 HydrophobicContact CZ-CB 3.65Å; F450-F509 HydrophobicContact CZ-CD2 4.11Å; F450-F509 AromaticContact CZ-CG 3.99Å; F450-F509 HydrophobicContact CZ-CG 3.99Å; F450-F509 WeakPolarHBondContact O-CD2 3.49Å; F450-F509 WeakPolarHBondContact O-CE2 3.46Å; Y507-F509 PolarHBondContact O-N 2.71Å; F509-P571 HydrophobicContact CD1-CB 3.78Å; F509-P571 HydrophobicContact CE1-CB 3.7Å; F509-T573 HydrophobicContact CE1-CG2 4.27Å; F509-R584 HydrophobicContact CD1-CB 3.88Å; F509-R584 HydrophobicContact CD1-CG 4.27Å; F509-R584 HydrophobicContact CE1-CB 4.11Å; F509-R584 HydrophobicContact CE1-CG 4.02Å; F509-R584 HydrophobicContact CZ-CG 4.39Å; F509-M586 HydrophobicContact CB-CE 4.32Å
510	A	46.6	Very low	61.4	Low	32 Å²	32	67.7 Å²	67.7	26%	0.264	38%	0.384	S	S	.	.	S	Bend	trans	-146.3	142.4	-175.4	0	0	0	0	0	109.3	L514	A510-L514 HydrophobicContact CB-CB 3.81Å; A510-L514 HydrophobicContact CB-CD1 3.8Å; A510-L514 HydrophobicContact CB-CG 4.27Å
511	G	48.8	Very low	63.9	Low	65 Å²	65	63.7 Å²	63.7	67%	0.67	36%	0.362	S	S	*	.	S	Bend	trans	-58.7	-168.9	163.9	0	0	0	0	0	112	H513	G511-H513 PolarHBondContact O-N 2.9Å
512	E	47.6	Very low	66.5	Low	149 Å²	149	59 Å²	59	70%	0.696	34%	0.341	S	S	*	.	S	Bend	trans	-57	-3.8	-158.9	-64.2	-179.6	155.6	0	0	118.5
513	H	54.2	Low	69.2	Low	180 Å²	180	56.4 Å²	56.4	83%	0.833	32%	0.32	S	S	*	.			trans	-142.8	80	-176.4	-58.8	-50.6	0	0	0	114.5	G511	G511-H513 PolarHBondContact O-N 2.9Å
514	L	66.1	Low	71.9	Confident	33 Å²	33	52.7 Å²	52.7	17%	0.173	29%	0.294	C	S	.	.			trans	-101.1	129.2	168.7	-172.3	86.6	0	0	0	111.9	F450 Y507 A510 L516 M586	F450-L514 HydrophobicContact CE1-CD2 3.29Å; F450-L514 HydrophobicContact CZ-CD2 3.23Å; F450-L514 HydrophobicContact CZ-CG 4.48Å; Y507-L514 HydrophobicContact CD2-CB 4.49Å; A510-L514 HydrophobicContact CB-CB 3.81Å; A510-L514 HydrophobicContact CB-CD1 3.8Å; A510-L514 HydrophobicContact CB-CG 4.27Å; L514-L516 PolarHBondContact O-N 3.31Å; L514-M586 HydrophobicContact CD1-CE 4.27Å
515	N	84.2	Confident	74.4	Confident	101 Å²	101	48.2 Å²	48.2	54%	0.54	28%	0.278	S	S	.	.			trans	-85.9	94.6	169.2	-172.2	-26.6	0	0	0	110.6	T517 A518 M519	N515-T517 VanDerWaalsContact C-N 3.34Å; N515-T517 PolarHBondContact O-N 2.88Å; N515-T517 WeakPolarHBondContact OD1-CB 3.39Å; N515-T517 PolarHBondContact OD1-N 3.22Å; N515-A518 HydrophobicContact CB-CB 3.89Å; N515-A518 PolarHBondContact O-N 3.35Å; N515-A518 PolarHBondContact OD1-N 2.73Å; N515-M519 PolarHBondContact O-N 2.91Å
516	L	87.6	Confident	76.6	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-42	179.6	179.4	62.6	0	0	0	112.2	L447 L451 L481 L514 A518 M519 M520	L447-L516 HydrophobicContact CD1-CD1 3.64Å; L451-L516 HydrophobicContact CD1-CD2 4.48Å; L481-L516 HydrophobicContact CB-CD2 3.59Å; L514-L516 PolarHBondContact O-N 3.31Å; L516-A518 VanDerWaalsContact C-N 3.32Å; L516-A518 PolarHBondContact O-N 3.22Å; L516-M519 PolarHBondContact O-N 3.25Å; L516-M520 HydrophobicContact CD1-CG 3.7Å; L516-M520 HydrophobicContact CD1-SD 4.34Å; L516-M520 HydrophobicContact CG-CG 4.13Å; L516-M520 WeakPolarHBondContact O-CG 3.49Å; L516-M520 PolarHBondContact O-N 3.48Å
517	T	91.9	Very high	78.8	Confident	24 Å²	24	47.3 Å²	47.3	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-56.9	-46.3	176.1	-59.8	0	0	0	0	111.3	Q475 N515 M519 M520 N521	Q475-T517 PolarHBondContact NE2-OG1 2.91Å; Q475-T517 VanDerWaalsContact NE2-OG1 3.14Å; N515-T517 VanDerWaalsContact C-N 3.34Å; N515-T517 PolarHBondContact O-N 2.88Å; N515-T517 WeakPolarHBondContact OD1-CB 3.39Å; N515-T517 PolarHBondContact OD1-N 3.22Å; T517-M519 VanDerWaalsContact C-N 3.31Å; T517-M519 PolarHBondContact O-N 2.82Å; T517-M520 PolarHBondContact O-N 3.17Å; T517-N521 VanDerWaalsContact O-CB 3.25Å; T517-N521 WeakPolarHBondContact O-CB 3.44Å; T517-N521 PolarHBondContact O-N 2.83Å
518	A	93	Very high	80.7	Confident	34 Å²	34	46.1 Å²	46.1	28%	0.281	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-42.5	178.5	0	0	0	0	0	111.5	N515 L516 T522	N515-A518 HydrophobicContact CB-CB 3.89Å; N515-A518 PolarHBondContact O-N 3.35Å; N515-A518 PolarHBondContact OD1-N 2.73Å; L516-A518 VanDerWaalsContact C-N 3.32Å; L516-A518 PolarHBondContact O-N 3.22Å; A518-T522 WeakPolarHBondContact O-CG2 3.4Å
519	M	95.1	Very high	82.9	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-54.6	175	169.8	177	163.9	0	0	111.6	M446 F450 N515 L516 T517 N521 T522 H569 P571 M586	M446-M519 HydrophobicContact CE-CE 4.39Å; F450-M519 HydrophobicContact CD1-CE 4.39Å; F450-M519 HydrophobicContact CD1-SD 4.35Å; F450-M519 HydrophobicContact CD2-CE 4.13Å; F450-M519 HydrophobicContact CD2-SD 4.42Å; F450-M519 HydrophobicContact CE1-SD 4.13Å; F450-M519 HydrophobicContact CE2-CE 4.4Å; F450-M519 HydrophobicContact CE2-SD 4.12Å; F450-M519 HydrophobicContact CG-CE 4.11Å; F450-M519 HydrophobicContact CZ-SD 4.01Å; N515-M519 PolarHBondContact O-N 2.91Å; L516-M519 PolarHBondContact O-N 3.25Å; T517-M519 VanDerWaalsContact C-N 3.31Å; T517-M519 PolarHBondContact O-N 2.82Å; M519-N521 VanDerWaalsContact C-N 3.33Å; M519-N521 PolarHBondContact O-N 3.07Å; M519-T522 WeakPolarHBondContact O-CB 3.2Å; M519-T522 PolarHBondContact O-N 2.97Å; M519-T522 PolarHBondContact O-OG1 3.15Å; M519-H569 HydrophobicContact CB-CB 3.86Å; M519-H569 HydrophobicContact CG-CB 3.85Å; M519-P571 HydrophobicContact CE-CB 4.22Å; M519-P571 HydrophobicContact CE-CG 3.67Å; M519-M586 HydrophobicContact SD-CE 3.87Å
520	M	97.2	Very high	85.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.8	-28.8	-171.3	-62.8	-50	-59.9	0	0	113.3	V443 L447 W478 L516 T517 T522 W523 T524	V443-M520 HydrophobicContact CG1-CE 3.36Å; L447-M520 HydrophobicContact CB-CE 4.32Å; L447-M520 HydrophobicContact CB-SD 4.49Å; L447-M520 HydrophobicContact CD1-CG 4.48Å; L447-M520 HydrophobicContact CD1-SD 3.87Å; L447-M520 HydrophobicContact CD2-CE 3.94Å; L447-M520 HydrophobicContact CD2-CG 4.38Å; L447-M520 HydrophobicContact CD2-SD 4.11Å; L447-M520 HydrophobicContact CG-SD 4.39Å; W478-M520 HydrophobicContact CD2-CB 3.68Å; W478-M520 HydrophobicContact CD2-CG 4.13Å; W478-M520 VanDerWaalsContact CE2-CB 3.44Å; W478-M520 HydrophobicContact CE3-CB 3.83Å; W478-M520 HydrophobicContact CE3-CG 3.78Å; W478-M520 HydrophobicContact CG-CB 4.43Å; W478-M520 HydrophobicContact CH2-CB 3.61Å; W478-M520 HydrophobicContact CH2-CE 3.61Å; W478-M520 HydrophobicContact CH2-CG 3.89Å; W478-M520 HydrophobicContact CZ2-CB 3.43Å; W478-M520 VanDerWaalsContact CZ2-CB 3.43Å; W478-M520 HydrophobicContact CZ2-CE 4.37Å; W478-M520 HydrophobicContact CZ2-CG 4.23Å; W478-M520 HydrophobicContact CZ3-CB 3.81Å; W478-M520 HydrophobicContact CZ3-CE 3.96Å; W478-M520 HydrophobicContact CZ3-CG 3.67Å; L516-M520 HydrophobicContact CD1-CG 3.7Å; L516-M520 HydrophobicContact CD1-SD 4.34Å; L516-M520 HydrophobicContact CG-CG 4.13Å; L516-M520 WeakPolarHBondContact O-CG 3.49Å; L516-M520 PolarHBondContact O-N 3.48Å; T517-M520 PolarHBondContact O-N 3.17Å; M520-T522 PolarHBondContact O-N 3.42Å; M520-W523 HydrophobicContact CE-CB 4.48Å; M520-W523 PolarHBondContact O-N 3.41Å; M520-T524 PolarHBondContact O-N 2.98Å; M520-T524 PolarHBondContact O-OG1 3.41Å
521	N	97.6	Very high	87.6	Confident	47 Å²	47	39.4 Å²	39.4	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-30.2	170.8	-76.2	-6.2	0	0	0	112.2	W478 T517 M519 W523 L525	W478-N521 PolarHBondContact NE1-OD1 2.67Å; T517-N521 VanDerWaalsContact O-CB 3.25Å; T517-N521 WeakPolarHBondContact O-CB 3.44Å; T517-N521 PolarHBondContact O-N 2.83Å; M519-N521 VanDerWaalsContact C-N 3.33Å; M519-N521 PolarHBondContact O-N 3.07Å; N521-W523 PolarHBondContact O-N 2.89Å; N521-L525 HydrophobicContact CB-CD1 3.98Å; N521-L525 HydrophobicContact CB-CG 4.42Å; N521-L525 VanDerWaalsContact O-CB 3.31Å; N521-L525 WeakPolarHBondContact O-CB 3.42Å; N521-L525 PolarHBondContact O-N 3.36Å
522	T	97.9	Very high	90	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.08	19%	0.185	C	C	.	.	H	α-helix	trans	-66.6	-27.4	173.4	70.5	0	0	0	0	113	A518 M519 M520 Q526 L567 W568 H569	A518-T522 WeakPolarHBondContact O-CG2 3.4Å; M519-T522 WeakPolarHBondContact O-CB 3.2Å; M519-T522 PolarHBondContact O-N 2.97Å; M519-T522 PolarHBondContact O-OG1 3.15Å; M520-T522 PolarHBondContact O-N 3.42Å; T522-Q526 WeakPolarHBondContact O-CB 3.45Å; T522-L567 WeakPolarHBondContact CG2-O 3.36Å; T522-W568 PolarHBondContact O-NE1 3.21Å; T522-H569 PolarHBondContact OG1-N 2.72Å
523	W	98.4	Very high	92.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-89.9	-30.1	-178.8	-63.4	104	0	0	0	113.3	I418 V443 M446 M520 N521 P530 W568 H569 I570 Y612	I418-W523 WeakPolarHBondContact CD1-O 3.4Å; V443-W523 HydrophobicContact CG1-CB 3.93Å; V443-W523 HydrophobicContact CG1-CG 4.48Å; V443-W523 HydrophobicContact CG2-CB 4.34Å; V443-W523 HydrophobicContact CG2-CE3 4.49Å; M446-W523 HydrophobicContact CE-CD2 3.59Å; M446-W523 HydrophobicContact CE-CE3 4.16Å; M446-W523 HydrophobicContact CE-CG 3.91Å; M446-W523 HydrophobicContact CE-CH2 4.28Å; M446-W523 HydrophobicContact CE-CZ2 3.74Å; M446-W523 HydrophobicContact CE-CZ3 4.48Å; M446-W523 HydrophobicContact SD-CH2 4.18Å; M446-W523 HydrophobicContact SD-CZ2 3.89Å; M520-W523 HydrophobicContact CE-CB 4.48Å; M520-W523 PolarHBondContact O-N 3.41Å; N521-W523 PolarHBondContact O-N 2.89Å; W523-P530 HydrophobicContact CH2-CG 3.66Å; W523-P530 HydrophobicContact CZ3-CG 4.01Å; W523-W568 AromaticContact CD2-CD1 3.7Å; W523-W568 AromaticContact CE2-CD1 3.95Å; W523-W568 AromaticContact CE3-CD1 3.6Å; W523-W568 HydrophobicContact CH2-CB 4.3Å; W523-W568 HydrophobicContact CH2-CG 4.29Å; W523-W568 HydrophobicContact CZ2-CB 4.05Å; W523-W568 HydrophobicContact CZ2-CG 4.37Å; W523-W568 AromaticContact CZ3-CD1 3.78Å; W523-W568 HydrophobicContact CZ3-CG 4.36Å; W523-H569 PolarHBondContact NE1-O 3.41Å; W523-H569 VanDerWaalsContact NE1-O 3.09Å; W523-I570 HydrophobicContact CH2-CG1 4.45Å; W523-I570 HydrophobicContact CZ2-CG1 4.17Å; W523-Y612 HydrophobicContact CE3-CD1 4.41Å; W523-Y612 WeakPolarHBondContact CH2-O 3.28Å; W523-Y612 HydrophobicContact CZ3-CD1 4.12Å; W523-Y612 WeakPolarHBondContact CZ3-O 3.45Å
524	T	98.4	Very high	94.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-98.9	-31.4	-176.4	56.9	0	0	0	0	114.9	W372 P417 I418 S419 W478 M520	W372-T524 HydrophobicContact CH2-CG2 4.11Å; W372-T524 HydrophobicContact CZ2-CG2 3.81Å; P417-T524 WeakPolarHBondContact CB-O 3.37Å; I418-T524 HydrophobicContact CB-CG2 4.47Å; I418-T524 HydrophobicContact CD1-CG2 4.26Å; I418-T524 PolarHBondContact N-O 3.38Å; S419-T524 PolarHBondContact N-O 3.15Å; W478-T524 HydrophobicContact CH2-CG2 4.32Å; W478-T524 HydrophobicContact CZ2-CG2 3.7Å; M520-T524 PolarHBondContact O-N 2.98Å; M520-T524 PolarHBondContact O-OG1 3.41Å
525	L	97.9	Very high	96	Very high	88 Å²	88	21.9 Å²	21.9	46%	0.461	12%	0.121	S	C	.	.	S	Bend	trans	-99.3	-5.9	-175.4	-54.9	-178.9	0	0	0	113.7	P417 N521	P417-L525 WeakPolarHBondContact CG-O 3.18Å; N521-L525 HydrophobicContact CB-CD1 3.98Å; N521-L525 HydrophobicContact CB-CG 4.42Å; N521-L525 VanDerWaalsContact O-CB 3.31Å; N521-L525 WeakPolarHBondContact O-CB 3.42Å; N521-L525 PolarHBondContact O-N 3.36Å
526	Q	96.9	Very high	96.4	Very high	39 Å²	39	21.4 Å²	21.4	18%	0.182	11%	0.112	C	C	.	.	S	Bend	trans	-113.1	139.5	172.9	-57.5	178.6	63.6	0	0	110.4	T522 F566 L567	T522-Q526 WeakPolarHBondContact O-CB 3.45Å; Q526-F566 HydrophobicContact CB-CD1 4.46Å; Q526-L567 PolarHBondContact NE2-O 2.6Å
527	K	95.7	Very high	96.7	Very high	51 Å²	51	26.7 Å²	26.7	22%	0.222	14%	0.135	C	C	.	.			trans	-78.3	159.5	171.2	66.2	177.2	169.9	-176.4	0	111	N413 S415 R416 P417 F566	N413-K527 VanDerWaalsContact O-CE 3.29Å; N413-K527 WeakPolarHBondContact O-CE 3.36Å; N413-K527 PolarHBondContact O-NZ 3.04Å; S415-K527 WeakPolarHBondContact O-CD 3.26Å; R416-K527 VanDerWaalsContact C-CB 3.41Å; P417-K527 HydrophobicContact CG-CB 4.36Å; K527-F566 HydrophobicContact CG-CE1 4.02Å; K527-F566 HydrophobicContact CG-CZ 4.17Å; K527-F566 VanDerWaalsContact O-CE1 3.3Å; K527-F566 WeakPolarHBondContact O-CE1 3.49Å
528	G	96.1	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	83	-176.2	175.7	0	0	0	0	0	114	D410 K439	D410-G528 VanDerWaalsContact CG-CA 3.5Å; D410-G528 VanDerWaalsContact O-CA 3.29Å; D410-G528 WeakPolarHBondContact O-CA 3.47Å; D410-G528 VanDerWaalsContact OD1-CA 3.25Å; D410-G528 WeakPolarHBondContact OD1-CA 3.42Å; D410-G528 PolarHBondContact OD1-N 3.49Å; K439-G528 PolarHBondContact NZ-O 2.89Å
529	I	97.8	Very high	96.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.			trans	-135.2	141.9	-172.1	-178.2	170.6	0	0	0	109.7	I407 F548 Y612 V614	I407-I529 HydrophobicContact CB-CD1 4.28Å; I407-I529 HydrophobicContact CD1-CD1 3.83Å; I407-I529 HydrophobicContact CG1-CD1 3.47Å; I407-I529 VanDerWaalsContact CG1-CD1 3.47Å; I407-I529 HydrophobicContact CG2-CD1 4.13Å; I529-F548 HydrophobicContact CG2-CB 3.96Å; I529-F548 HydrophobicContact CG2-CD1 4.06Å; I529-F548 WeakPolarHBondContact O-CB 2.93Å; I529-F548 PolarHBondContact O-N 3.45Å; I529-Y612 HydrophobicContact CB-CE1 4.06Å; I529-Y612 HydrophobicContact CD1-CD1 3.87Å; I529-Y612 HydrophobicContact CD1-CD2 4.5Å; I529-Y612 HydrophobicContact CD1-CE1 3.79Å; I529-Y612 HydrophobicContact CD1-CE2 4.45Å; I529-Y612 HydrophobicContact CD1-CG 4.23Å; I529-Y612 HydrophobicContact CG1-CD1 4.05Å; I529-Y612 HydrophobicContact CG1-CE1 4.03Å; I529-Y612 WeakPolarHBondContact CG1-O 3.5Å; I529-V614 HydrophobicContact CD1-CG2 4.23Å
530	P	98.4	Very high	96.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	143.2	175.9	24	-27.6	0	0	0	113.1	W523 D546 W568 I570 V614	W523-P530 HydrophobicContact CH2-CG 3.66Å; W523-P530 HydrophobicContact CZ3-CG 4.01Å; P530-D546 CarbonylContact C-O 3.58Å; P530-D546 VanDerWaalsContact CA-O 3.3Å; P530-D546 WeakPolarHBondContact CA-O 3.25Å; P530-W568 HydrophobicContact CB-CD2 3.98Å; P530-W568 HydrophobicContact CB-CE3 3.57Å; P530-W568 HydrophobicContact CB-CG 4.43Å; P530-W568 HydrophobicContact CB-CZ3 4.02Å; P530-W568 HydrophobicContact CG-CB 4.12Å; P530-W568 HydrophobicContact CG-CD2 3.82Å; P530-W568 HydrophobicContact CG-CE3 3.97Å; P530-W568 HydrophobicContact CG-CG 3.89Å; P530-I570 HydrophobicContact CB-CD1 3.71Å; P530-I570 HydrophobicContact CG-CD1 3.71Å; P530-I570 HydrophobicContact CG-CG1 4.21Å; P530-V614 PolarHBondContact O-N 2.84Å
531	L	98.5	Very high	96.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.1	160.7	174.1	61.8	0	0	0	108.8	Q545 D546 F548 V614 H616 L651	L531-Q545 VanDerWaalsContact O-CA 3.32Å; L531-Q545 WeakPolarHBondContact O-CA 3.26Å; L531-D546 PolarHBondContact N-O 3.01Å; L531-D546 PolarHBondContact O-N 2.92Å; L531-F548 HydrophobicContact CB-CB 3.92Å; L531-F548 HydrophobicContact CB-CD2 4.11Å; L531-F548 HydrophobicContact CB-CG 4.42Å; L531-F548 HydrophobicContact CD1-CD2 4.31Å; L531-F548 HydrophobicContact CD2-CD2 4.29Å; L531-F548 HydrophobicContact CG-CD2 4.48Å; L531-V614 CarbonylContact C-O 3.31Å; L531-V614 WeakPolarHBondContact CA-O 3.4Å; L531-V614 HydrophobicContact CD1-CB 4.11Å; L531-V614 HydrophobicContact CD1-CG1 3.82Å; L531-H616 HydrophobicContact CD1-CB 3.81Å; L531-L651 HydrophobicContact CD1-CD2 3.78Å; L531-L651 HydrophobicContact CD2-CD2 4.42Å
532	V	98.6	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	106.8	172.1	-177.6	0	0	0	0	109	V534 L543 R544 I570 L572 Y613 V614 V615 H616	V532-V534 HydrophobicContact CG1-CG2 4.26Å; V532-L543 HydrophobicContact CG1-CD2 4.48Å; V532-R544 CarbonylContact C-O 3.52Å; V532-R544 WeakPolarHBondContact CA-O 3.33Å; V532-I570 HydrophobicContact CG2-CD1 3.84Å; V532-L572 HydrophobicContact CG1-CD2 4.16Å; V532-L572 HydrophobicContact CG2-CD2 4Å; V532-Y613 HydrophobicContact CB-CD2 4.42Å; V532-Y613 HydrophobicContact CG2-CD2 3.73Å; V532-Y613 HydrophobicContact CG2-CE2 4.32Å; V532-Y613 HydrophobicContact CG2-CG 4.28Å; V532-V614 PolarHBondContact N-O 2.64Å; V532-V615 WeakPolarHBondContact O-CA 3.46Å; V532-H616 PolarHBondContact O-N 3.29Å
533	T	98.5	Very high	96.5	Very high	24 Å²	24	35.7 Å²	35.7	15%	0.147	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.3	172.5	-62.4	0	0	0	0	110	L543 R544 H616 A618	T533-L543 WeakPolarHBondContact O-CA 3.43Å; T533-R544 PolarHBondContact N-O 3.26Å; T533-R544 PolarHBondContact O-N 3.45Å; T533-H616 CarbonylContact C-O 3.18Å; T533-H616 WeakPolarHBondContact CA-O 3.44Å; T533-A618 HydrophobicContact CG2-CB 4.24Å
534	V	98.3	Very high	96.5	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.4	-175.8	-173.8	0	0	0	0	108.6	V532 L541 L543 I605 V615 H616 Y617 A618	V532-V534 HydrophobicContact CG1-CG2 4.26Å; V534-L541 HydrophobicContact CG1-CB 4.37Å; V534-L541 HydrophobicContact CG1-CD1 4.37Å; V534-L541 HydrophobicContact CG1-CD2 4.18Å; V534-L543 HydrophobicContact CG1-CD2 4.28Å; V534-L543 HydrophobicContact CG2-CD2 4.11Å; V534-I605 HydrophobicContact CG1-CG1 4.4Å; V534-I605 HydrophobicContact CG2-CG1 3.72Å; V534-V615 HydrophobicContact CG2-CG1 3.91Å; V534-H616 PolarHBondContact N-O 3.14Å; V534-Y617 HydrophobicContact CB-CD1 4.19Å; V534-Y617 HydrophobicContact CG1-CD1 4.39Å; V534-A618 PolarHBondContact O-N 3.37Å
535	T	97.4	Very high	96.5	Very high	31 Å²	31	41.9 Å²	41.9	19%	0.19	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.3	175	-54.9	0	0	0	0	109.7	L542	T535-L542 PolarHBondContact N-O 2.95Å; T535-L542 PolarHBondContact O-N 2.96Å
536	R	93.8	Very high	96.4	Very high	90 Å²	90	38.9 Å²	38.9	34%	0.34	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.2	178.8	-173.9	176.9	177.7	172.4	1.2	111	G538 L541 A600 S601	R536-G538 PolarHBondContact NE-O 2.72Å; R536-L541 HydrophobicContact CB-CD2 4.15Å; R536-L541 HydrophobicContact CG-CD2 4.17Å; R536-A600 PolarHBondContact NH1-O 3.07Å; R536-A600 PolarHBondContact NH2-O 3.05Å; R536-S601 PolarHBondContact NH1-O 3.19Å
537	K	93.3	Very high	96.5	Very high	114 Å²	114	37.2 Å²	37.2	50%	0.496	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	95.7	172.3	-63.8	-61.9	179.1	-151.4	0	109.7	R540 L542 D619	K537-R540 PolarHBondContact N-O 2.9Å; K537-R540 PolarHBondContact O-N 3.38Å; K537-R540 VanDerWaalsContact O-N 3.11Å; K537-L542 HydrophobicContact CB-CD1 4.48Å; K537-L542 HydrophobicContact CG-CD1 3.69Å; K537-L542 HydrophobicContact CG-CG 4.17Å; K537-D619 IonicContact NZ-OD2 2.67Å; K537-D619 PolarHBondContact NZ-OD2 3.46Å
538	G	89.4	Confident	96.6	Very high	50 Å²	50	34.8 Å²	34.8	52%	0.515	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-122.9	-176	0	0	0	0	0	111.5	R536 R540	R536-G538 PolarHBondContact NE-O 2.72Å; G538-R540 VanDerWaalsContact C-N 3.28Å; G538-R540 PolarHBondContact O-N 2.87Å
539	P	92.4	Very high	96.5	Very high	32 Å²	32	34.8 Å²	34.8	21%	0.208	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	4.9	178.9	35.5	-36.4	0	0	0	114.3	H595 I596 G597 E598	P539-H595 VanDerWaalsContact CB-CE1 3.49Å; P539-H595 WeakPolarHBondContact CB-CE1 3.45Å; P539-H595 PolarHBondContact O-ND1 3.29Å; P539-I596 PolarHBondContact O-N 3.07Å; P539-G597 PolarHBondContact O-N 3.3Å; P539-E598 HydrophobicContact CB-CG 3.72Å; P539-E598 HydrophobicContact CG-CG 4.11Å
540	R	94.8	Very high	96.3	Very high	141 Å²	141	36.4 Å²	36.4	53%	0.532	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.1	-178.2	-73.1	-175.1	166.4	153.2	-2.5	112.1	K537 G538 V594	K537-R540 PolarHBondContact N-O 2.9Å; K537-R540 PolarHBondContact O-N 3.38Å; K537-R540 VanDerWaalsContact O-N 3.11Å; G538-R540 VanDerWaalsContact C-N 3.28Å; G538-R540 PolarHBondContact O-N 2.87Å; R540-V594 CarbonylContact C-O 3.54Å; R540-V594 WeakPolarHBondContact CA-O 3.47Å
541	L	95.9	Very high	95.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.5	164.4	-57	-179.5	0	0	0	108	V534 R536 L543 S593 V594 I596 V603 I605	V534-L541 HydrophobicContact CG1-CB 4.37Å; V534-L541 HydrophobicContact CG1-CD1 4.37Å; V534-L541 HydrophobicContact CG1-CD2 4.18Å; R536-L541 HydrophobicContact CB-CD2 4.15Å; R536-L541 HydrophobicContact CG-CD2 4.17Å; L541-L543 HydrophobicContact CB-CD2 4.33Å; L541-S593 CarbonylContact O-C 3.58Å; L541-S593 WeakPolarHBondContact O-CA 2.98Å; L541-S593 WeakPolarHBondContact O-CB 3.3Å; L541-V594 PolarHBondContact N-O 3.23Å; L541-V594 PolarHBondContact O-N 3.02Å; L541-I596 HydrophobicContact CD1-CD1 4.12Å; L541-I596 HydrophobicContact CD1-CG2 3.7Å; L541-I596 HydrophobicContact CD2-CD1 3.71Å; L541-I596 HydrophobicContact CD2-CG1 4.41Å; L541-I596 HydrophobicContact CG-CD1 3.85Å; L541-I596 HydrophobicContact CG-CG1 4.14Å; L541-I596 HydrophobicContact CG-CG2 3.95Å; L541-V603 HydrophobicContact CD1-CB 4.28Å; L541-V603 HydrophobicContact CD1-CG1 3.84Å; L541-V603 HydrophobicContact CD1-CG2 3.81Å; L541-V603 HydrophobicContact CD2-CG1 3.85Å; L541-V603 HydrophobicContact CG-CG1 4.49Å; L541-I605 HydrophobicContact CD1-CD1 4.11Å
542	L	97.9	Very high	95.4	Very high	77 Å²	77	36.9 Å²	36.9	40%	0.403	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.1	167.7	-54	-178.2	0	0	0	107.6	T535 K537	T535-L542 PolarHBondContact N-O 2.95Å; T535-L542 PolarHBondContact O-N 2.96Å; K537-L542 HydrophobicContact CB-CD1 4.48Å; K537-L542 HydrophobicContact CG-CD1 3.69Å; K537-L542 HydrophobicContact CG-CG 4.17Å
543	L	98.4	Very high	95	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.3	-175.2	-56.5	174	0	0	0	109	V532 T533 V534 L541 L572 M587 T591 D592 V594	V532-L543 HydrophobicContact CG1-CD2 4.48Å; T533-L543 WeakPolarHBondContact O-CA 3.43Å; V534-L543 HydrophobicContact CG1-CD2 4.28Å; V534-L543 HydrophobicContact CG2-CD2 4.11Å; L541-L543 HydrophobicContact CB-CD2 4.33Å; L543-L572 HydrophobicContact CD1-CD1 3.56Å; L543-M587 HydrophobicContact CB-CE 4.07Å; L543-M587 HydrophobicContact CB-SD 4.12Å; L543-T591 CarbonylContact O-C 3.56Å; L543-T591 WeakPolarHBondContact O-CA 3.47Å; L543-D592 HydrophobicContact CB-CB 4.35Å; L543-D592 PolarHBondContact N-O 3.46Å; L543-D592 PolarHBondContact O-N 2.94Å; L543-V594 HydrophobicContact CD1-CG2 3.71Å
544	R	98	Very high	94.4	Very high	118 Å²	118	39.6 Å²	39.6	45%	0.445	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.5	172.1	174.4	179.8	164.9	164.8	2.2	109.1	V532 T533 D546 P590 T591	V532-R544 CarbonylContact C-O 3.52Å; V532-R544 WeakPolarHBondContact CA-O 3.33Å; T533-R544 PolarHBondContact N-O 3.26Å; T533-R544 PolarHBondContact O-N 3.45Å; R544-D546 IonicContact CZ-OD1 2.81Å; R544-D546 IonicContact CZ-OD2 3.03Å; R544-D546 IonicContact NE-OD1 2.76Å; R544-D546 PolarHBondContact NE-OD1 3.23Å; R544-D546 VanDerWaalsContact NE-OD1 3.16Å; R544-D546 IonicContact NE-OD2 3.46Å; R544-D546 PolarHBondContact NE-OD2 3.02Å; R544-D546 IonicContact NH2-OD1 2.86Å; R544-D546 PolarHBondContact NH2-OD1 2.9Å; R544-D546 IonicContact NH2-OD2 3.39Å; R544-P590 CarbonylContact C-O 3.21Å; R544-P590 WeakPolarHBondContact CA-O 3.43Å; R544-T591 HydrophobicContact CB-CG2 4.23Å; R544-T591 HydrophobicContact CG-CG2 4.22Å
545	Q	98	Very high	93.9	Very high	11 Å²	11	44.2 Å²	44.2	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136	171.4	67	174.8	-68.5	0	0	110.9	L531 L567 W568 I570 M587 S589 P590	L531-Q545 VanDerWaalsContact O-CA 3.32Å; L531-Q545 WeakPolarHBondContact O-CA 3.26Å; Q545-L567 HydrophobicContact CG-CD1 4.19Å; Q545-W568 PolarHBondContact NE2-O 3.26Å; Q545-W568 PolarHBondContact OE1-O 2.69Å; Q545-I570 HydrophobicContact CB-CD1 4Å; Q545-M587 HydrophobicContact CB-CE 3.99Å; Q545-M587 HydrophobicContact CB-SD 4.38Å; Q545-M587 HydrophobicContact CG-CE 3.94Å; Q545-S589 PolarHBondContact NE2-O 3.39Å; Q545-P590 PolarHBondContact N-O 2.88Å
546	D	96.9	Very high	93.6	Very high	25 Å²	25	44.1 Å²	44.1	13%	0.134	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	162.7	171.1	-62.4	-82.3	0	0	0	108.2	P530 L531 R544 F548	P530-D546 CarbonylContact C-O 3.58Å; P530-D546 VanDerWaalsContact CA-O 3.3Å; P530-D546 WeakPolarHBondContact CA-O 3.25Å; L531-D546 PolarHBondContact N-O 3.01Å; L531-D546 PolarHBondContact O-N 2.92Å; R544-D546 IonicContact CZ-OD1 2.81Å; R544-D546 IonicContact CZ-OD2 3.03Å; R544-D546 IonicContact NE-OD1 2.76Å; R544-D546 PolarHBondContact NE-OD1 3.23Å; R544-D546 VanDerWaalsContact NE-OD1 3.16Å; R544-D546 IonicContact NE-OD2 3.46Å; R544-D546 PolarHBondContact NE-OD2 3.02Å; R544-D546 IonicContact NH2-OD1 2.86Å; R544-D546 PolarHBondContact NH2-OD1 2.9Å; R544-D546 IonicContact NH2-OD2 3.39Å; D546-F548 PolarHBondContact O-N 2.82Å
547	R	97.7	Very high	93.5	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125.8	167.6	179	179.2	176.4	-151.9	-1.4	109.5	N413 L549 V562 Q563 F566 W568	N413-R547 PolarHBondContact O-NH2 3.33Å; N413-R547 PolarHBondContact OD1-NH1 3.01Å; N413-R547 PolarHBondContact OD1-NH2 3.39Å; R547-L549 HydrophobicContact CG-CG 4.31Å; R547-V562 PolarHBondContact NH1-O 3.05Å; R547-Q563 PolarHBondContact O-NE2 3.38Å; R547-Q563 PolarHBondContact O-OE1 3.04Å; R547-F566 HydrophobicContact CB-CB 4.19Å; R547-F566 HydrophobicContact CB-CD2 4.33Å; R547-F566 HydrophobicContact CB-CG 4.18Å; R547-F566 HydrophobicContact CG-CG 4.42Å; R547-W568 HydrophobicContact CB-CH2 3.98Å; R547-W568 HydrophobicContact CB-CZ3 4.18Å; R547-W568 HydrophobicContact CG-CH2 4.05Å
548	F	97.8	Very high	93.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	C	.	.			trans	-77.2	125	176.5	-175	-119.7	0	0	0	111	S411 I529 L531 D546 R550 V614 Q650 L651 A654	S411-F548 VanDerWaalsContact CB-CD1 3.44Å; I529-F548 HydrophobicContact CG2-CB 3.96Å; I529-F548 HydrophobicContact CG2-CD1 4.06Å; I529-F548 WeakPolarHBondContact O-CB 2.93Å; I529-F548 PolarHBondContact O-N 3.45Å; L531-F548 HydrophobicContact CB-CB 3.92Å; L531-F548 HydrophobicContact CB-CD2 4.11Å; L531-F548 HydrophobicContact CB-CG 4.42Å; L531-F548 HydrophobicContact CD1-CD2 4.31Å; L531-F548 HydrophobicContact CD2-CD2 4.29Å; L531-F548 HydrophobicContact CG-CD2 4.48Å; D546-F548 PolarHBondContact O-N 2.82Å; F548-R550 HydrophobicContact CE1-CG 3.97Å; F548-R550 HydrophobicContact CZ-CG 4.09Å; F548-V614 HydrophobicContact CD1-CB 4.49Å; F548-V614 HydrophobicContact CD1-CG2 3.81Å; F548-V614 HydrophobicContact CE1-CG2 4.1Å; F548-V614 HydrophobicContact CE2-CG1 4.42Å; F548-V614 HydrophobicContact CG-CB 4.4Å; F548-V614 HydrophobicContact CG-CG2 4.19Å; F548-Q650 HydrophobicContact CE1-CB 4.14Å; F548-Q650 HydrophobicContact CZ-CB 3.82Å; F548-L651 HydrophobicContact CE2-CD2 4.12Å; F548-A654 HydrophobicContact CD2-CB 4.36Å; F548-A654 HydrophobicContact CE2-CB 3.43Å; F548-A654 VanDerWaalsContact CE2-CB 3.43Å; F548-A654 HydrophobicContact CZ-CB 3.82Å
549	L	95.8	Very high	93.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.			trans	-132.4	138	178.7	-70.3	173.2	0	0	0	111.2	S411 R547 V552 W559 V562 A654	S411-L549 CarbonylContact O-C 3.47Å; S411-L549 VanDerWaalsContact O-CA 3.29Å; S411-L549 WeakPolarHBondContact O-CA 3.32Å; R547-L549 HydrophobicContact CG-CG 4.31Å; L549-V552 HydrophobicContact CB-CB 4.44Å; L549-V552 HydrophobicContact CD1-CB 4.16Å; L549-V552 HydrophobicContact CD1-CG2 4.32Å; L549-W559 HydrophobicContact CB-CZ3 4.47Å; L549-V562 HydrophobicContact CD1-CB 3.83Å; L549-V562 HydrophobicContact CD1-CG2 3.37Å; L549-A654 WeakPolarHBondContact O-CB 3.49Å
550	R	92.1	Very high	93.4	Very high	34 Å²	34	48.7 Å²	48.7	13%	0.128	25%	0.247	C	C	.	.	S	Bend	trans	-98.6	-16.9	177.8	-70.3	174.3	70.3	-170.7	11.2	114.1	G408 S411 L412 F548 Q650 T653 K922	G408-R550 PolarHBondContact O-NH1 2.84Å; S411-R550 PolarHBondContact O-N 3.25Å; S411-R550 WeakPolarHBondContact OG-CD 3.43Å; S411-R550 WeakPolarHBondContact OG-CG 3.13Å; L412-R550 HydrophobicContact CD2-CB 4.33Å; F548-R550 HydrophobicContact CE1-CG 3.97Å; F548-R550 HydrophobicContact CZ-CG 4.09Å; R550-Q650 VanDerWaalsContact NE-OE1 3.13Å; R550-T653 HydrophobicContact CB-CG2 4.07Å; R550-T653 HydrophobicContact CG-CG2 4.25Å; R550-K922 HydrophobicContact CB-CD 4.48Å
551	T	88.2	Confident	93.3	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.031	25%	0.248	C	C	.	.	S	Bend	trans	-100.4	-22.8	-176.8	46.1	0	0	0	0	113	L412 E918 K922 R925	L412-T551 HydrophobicContact CD2-CG2 3.4Å; T551-E918 HydrophobicContact CG2-CB 3.76Å; T551-E918 HydrophobicContact CG2-CG 3.87Å; T551-K922 HydrophobicContact CG2-CB 4.05Å; T551-R925 PolarHBondContact O-NH1 3.5Å
552	V	90.3	Very high	93.1	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	25%	0.254	C	S	.	.	S	Bend	trans	-118.5	128.2	179.6	-170.4	0	0	0	0	108.9	L549 D556 Q558 W559 V562	L549-V552 HydrophobicContact CB-CB 4.44Å; L549-V552 HydrophobicContact CD1-CB 4.16Å; L549-V552 HydrophobicContact CD1-CG2 4.32Å; V552-D556 HydrophobicContact CG1-CB 3.95Å; V552-Q558 HydrophobicContact CG1-CG 3.52Å; V552-Q558 HydrophobicContact CG2-CG 4.4Å; V552-Q558 VanDerWaalsContact CG2-NE2 3.31Å; V552-W559 HydrophobicContact CG1-CB 4.47Å; V552-W559 HydrophobicContact CG1-CE3 4.16Å; V552-W559 WeakPolarHBondContact O-CZ3 3.37Å; V552-V562 HydrophobicContact CB-CG2 4.26Å; V552-V562 HydrophobicContact CG1-CG2 3.94Å; V552-V562 HydrophobicContact CG2-CG2 4.42Å
553	H	89.4	Confident	92.9	Very high	20 Å²	20	43.5 Å²	43.5	9%	0.093	24%	0.24	C	C	.	.			trans	-101.6	159.2	-178.7	-55.5	149.4	0	0	0	112	S555 D556 T653 A654 R929	H553-S555 PolarHBondContact O-N 2.77Å; H553-S555 VanDerWaalsContact O-N 3.07Å; H553-D556 PolarHBondContact N-OD2 2.85Å; H553-D556 WeakPolarHBondContact O-CB 3.4Å; H553-D556 PolarHBondContact O-N 2.88Å; H553-T653 PolarHBondContact NE2-O 3.02Å; H553-A654 PolarHBondContact CD2-O 3.3Å; H553-R929 PolarHBondContact CE1-NH1 3.49Å; H553-R929 PolarHBondContact ND1-NH1 2.98Å; H553-R929 PolarHBondContact NE2-NH1 3.28Å
554	P	87.1	Confident	92.6	Very high	61 Å²	61	50.1 Å²	50.1	40%	0.396	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-26.3	175.5	-28.5	35.9	0	0	0	115.4	W559 H656	P554-W559 HydrophobicContact CB-CD2 4.39Å; P554-W559 HydrophobicContact CG-CD2 4.46Å; P554-W559 HydrophobicContact CG-CE3 4.46Å; P554-W559 HydrophobicContact CG-CH2 4.04Å; P554-W559 HydrophobicContact CG-CZ2 4.05Å; P554-W559 HydrophobicContact CG-CZ3 4.25Å; P554-H656 WeakPolarHBondContact CG-CE1 3.29Å
555	S	87.7	Confident	92.3	Very high	102 Å²	102	48.4 Å²	48.4	71%	0.713	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.9	176.3	55.6	0	0	0	0	114.1	H553	H553-S555 PolarHBondContact O-N 2.77Å; H553-S555 VanDerWaalsContact O-N 3.07Å
556	D	90.1	Very high	92.3	Very high	30 Å²	30	50.3 Å²	50.3	16%	0.16	30%	0.297	C	S	.	.	S	Bend	trans	-75.9	139.6	-174.4	-67.3	-9.5	0	0	0	110.3	V552 H553 Q558 W559 R925	V552-D556 HydrophobicContact CG1-CB 3.95Å; H553-D556 PolarHBondContact N-OD2 2.85Å; H553-D556 WeakPolarHBondContact O-CB 3.4Å; H553-D556 PolarHBondContact O-N 2.88Å; D556-Q558 HydrophobicContact CB-CG 4.29Å; D556-Q558 PolarHBondContact O-N 3.04Å; D556-Q558 VanDerWaalsContact O-N 3.08Å; D556-W559 VanDerWaalsContact O-CB 3.23Å; D556-W559 WeakPolarHBondContact O-CB 3.49Å; D556-W559 PolarHBondContact O-N 3.21Å; D556-R925 IonicContact OD2-CZ 2.77Å; D556-R925 IonicContact OD2-NH1 2.81Å; D556-R925 PolarHBondContact OD2-NH1 3.09Å
557	P	92.2	Very high	92.3	Very high	137 Å²	137	51.8 Å²	51.8	89%	0.89	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.8	179.8	-26.4	34.2	0	0	0	113.8	W559	P557-W559 VanDerWaalsContact C-N 3.33Å
558	Q	91.2	Very high	92.3	Very high	98 Å²	98	51.7 Å²	51.7	46%	0.458	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-7.8	-179.4	71.6	-168.8	12.1	0	0	113.9	V552 D556 Q560 A561 V562	V552-Q558 HydrophobicContact CG1-CG 3.52Å; V552-Q558 HydrophobicContact CG2-CG 4.4Å; V552-Q558 VanDerWaalsContact CG2-NE2 3.31Å; D556-Q558 HydrophobicContact CB-CG 4.29Å; D556-Q558 PolarHBondContact O-N 3.04Å; D556-Q558 VanDerWaalsContact O-N 3.08Å; Q558-Q560 PolarHBondContact O-N 3.31Å; Q558-A561 PolarHBondContact O-N 2.99Å; Q558-A561 VanDerWaalsContact O-N 3.11Å; Q558-V562 PolarHBondContact O-N 2.71Å; Q558-V562 VanDerWaalsContact O-N 3.11Å
559	W	90.5	Very high	92.3	Very high	14 Å²	14	53.7 Å²	53.7	5%	0.053	31%	0.314	C	S	.	.	H	α-helix	trans	-52.7	-51.2	-176.9	176.9	-100.3	0	0	0	112.1	L549 V552 P554 D556 P557 A561 V562 Q563 H656	L549-W559 HydrophobicContact CB-CZ3 4.47Å; V552-W559 HydrophobicContact CG1-CB 4.47Å; V552-W559 HydrophobicContact CG1-CE3 4.16Å; V552-W559 WeakPolarHBondContact O-CZ3 3.37Å; P554-W559 HydrophobicContact CB-CD2 4.39Å; P554-W559 HydrophobicContact CG-CD2 4.46Å; P554-W559 HydrophobicContact CG-CE3 4.46Å; P554-W559 HydrophobicContact CG-CH2 4.04Å; P554-W559 HydrophobicContact CG-CZ2 4.05Å; P554-W559 HydrophobicContact CG-CZ3 4.25Å; D556-W559 VanDerWaalsContact O-CB 3.23Å; D556-W559 WeakPolarHBondContact O-CB 3.49Å; D556-W559 PolarHBondContact O-N 3.21Å; P557-W559 VanDerWaalsContact C-N 3.33Å; W559-A561 VanDerWaalsContact C-N 3.27Å; W559-A561 PolarHBondContact O-N 3.2Å; W559-V562 WeakPolarHBondContact O-CG2 3.23Å; W559-V562 PolarHBondContact O-N 3.24Å; W559-Q563 HydrophobicContact CD2-CG 4.11Å; W559-Q563 HydrophobicContact CG-CG 4.38Å; W559-Q563 HydrophobicContact CZ2-CG 4.13Å; W559-Q563 VanDerWaalsContact CZ2-NE2 3.27Å; W559-Q563 WeakPolarHBondContact O-CG 3.49Å; W559-Q563 PolarHBondContact O-N 3.41Å; W559-H656 AromaticContact CH2-NE2 3.89Å
560	Q	91.4	Very high	92.4	Very high	133 Å²	133	53.7 Å²	53.7	62%	0.621	31%	0.314	S	S	*	.	H	α-helix	trans	-59.6	-38.9	-178.8	-68	-64.9	-22.7	0	0	112.2	Q558 Q563 Q564	Q558-Q560 PolarHBondContact O-N 3.31Å; Q560-Q563 PolarHBondContact O-N 3.31Å; Q560-Q564 WeakPolarHBondContact O-CG 3.38Å; Q560-Q564 PolarHBondContact O-N 2.71Å
561	A	92.5	Very high	92.5	Very high	65 Å²	65	52.3 Å²	52.3	54%	0.537	31%	0.309	S	S	.	.	H	α-helix	trans	-68	-40	179.7	0	0	0	0	0	112.2	Q558 W559 Q563 Q564	Q558-A561 PolarHBondContact O-N 2.99Å; Q558-A561 VanDerWaalsContact O-N 3.11Å; W559-A561 VanDerWaalsContact C-N 3.27Å; W559-A561 PolarHBondContact O-N 3.2Å; A561-Q563 VanDerWaalsContact C-N 3.27Å; A561-Q563 PolarHBondContact O-N 3.23Å; A561-Q564 PolarHBondContact O-N 3.42Å
562	V	92.4	Very high	92.9	Very high	23 Å²	23	52.2 Å²	52.2	14%	0.139	31%	0.309	C	S	.	.	H	α-helix	trans	-78.3	-9.9	-178.3	-60.1	0	0	0	0	114.3	R547 L549 V552 Q558 W559 F566	R547-V562 PolarHBondContact NH1-O 3.05Å; L549-V562 HydrophobicContact CD1-CB 3.83Å; L549-V562 HydrophobicContact CD1-CG2 3.37Å; V552-V562 HydrophobicContact CB-CG2 4.26Å; V552-V562 HydrophobicContact CG1-CG2 3.94Å; V552-V562 HydrophobicContact CG2-CG2 4.42Å; Q558-V562 PolarHBondContact O-N 2.71Å; Q558-V562 VanDerWaalsContact O-N 3.11Å; W559-V562 WeakPolarHBondContact O-CG2 3.23Å; W559-V562 PolarHBondContact O-N 3.24Å; V562-F566 WeakPolarHBondContact O-CE2 3.27Å
563	Q	94.3	Very high	93.1	Very high	23 Å²	23	52 Å²	52	11%	0.107	31%	0.308	C	S	.	.	H	α-helix	trans	-91.7	-19.9	175.2	-67.6	-61.7	-30.8	0	0	113.4	R547 W559 Q560 A561	R547-Q563 PolarHBondContact O-NE2 3.38Å; R547-Q563 PolarHBondContact O-OE1 3.04Å; W559-Q563 HydrophobicContact CD2-CG 4.11Å; W559-Q563 HydrophobicContact CG-CG 4.38Å; W559-Q563 HydrophobicContact CZ2-CG 4.13Å; W559-Q563 VanDerWaalsContact CZ2-NE2 3.27Å; W559-Q563 WeakPolarHBondContact O-CG 3.49Å; W559-Q563 PolarHBondContact O-N 3.41Å; Q560-Q563 PolarHBondContact O-N 3.31Å; A561-Q563 VanDerWaalsContact C-N 3.27Å; A561-Q563 PolarHBondContact O-N 3.23Å
564	Q	91.8	Very high	93.4	Very high	145 Å²	145	52.3 Å²	52.3	68%	0.678	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	137.2	-175.7	-77.9	172.4	10.6	0	0	112.4	Q560 A561 F566	Q560-Q564 WeakPolarHBondContact O-CG 3.38Å; Q560-Q564 PolarHBondContact O-N 2.71Å; A561-Q564 PolarHBondContact O-N 3.42Å; Q564-F566 VanDerWaalsContact C-N 3.34Å; Q564-F566 WeakPolarHBondContact O-CD2 3.36Å
565	G	91.3	Very high	93.7	Very high	81 Å²	81	50.5 Å²	50.5	84%	0.835	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	3.1	173.3	0	0	0	0	0	115.6
566	F	96.9	Very high	94	Very high	51 Å²	51	46 Å²	46	22%	0.224	26%	0.263	C	S	.	.			trans	-100.6	124.4	178.5	-67.7	-80.5	0	0	0	112	Q526 K527 R547 V562 Q564 W568	Q526-F566 HydrophobicContact CB-CD1 4.46Å; K527-F566 HydrophobicContact CG-CE1 4.02Å; K527-F566 HydrophobicContact CG-CZ 4.17Å; K527-F566 VanDerWaalsContact O-CE1 3.3Å; K527-F566 WeakPolarHBondContact O-CE1 3.49Å; R547-F566 HydrophobicContact CB-CB 4.19Å; R547-F566 HydrophobicContact CB-CD2 4.33Å; R547-F566 HydrophobicContact CB-CG 4.18Å; R547-F566 HydrophobicContact CG-CG 4.42Å; V562-F566 WeakPolarHBondContact O-CE2 3.27Å; Q564-F566 VanDerWaalsContact C-N 3.34Å; Q564-F566 WeakPolarHBondContact O-CD2 3.36Å; F566-W568 HydrophobicContact CB-CH2 3.71Å; F566-W568 HydrophobicContact CB-CZ3 3.67Å; F566-W568 AromaticContact CD1-CH2 3.65Å; F566-W568 HydrophobicContact CD1-CH2 3.65Å; F566-W568 HydrophobicContact CD1-CZ2 4.02Å; F566-W568 HydrophobicContact CD1-CZ3 4.46Å; F566-W568 AromaticContact CG-CH2 3.99Å; F566-W568 HydrophobicContact CG-CH2 3.99Å; F566-W568 HydrophobicContact CG-CZ3 4.45Å
567	L	97.9	Very high	94.1	Very high	57 Å²	57	47.8 Å²	47.8	30%	0.298	27%	0.272	S	S	.	.			trans	-154.4	131.6	174	-176.8	69.4	0	0	0	109.2	T522 Q526 Q545 P590	T522-L567 WeakPolarHBondContact CG2-O 3.36Å; Q526-L567 PolarHBondContact NE2-O 2.6Å; Q545-L567 HydrophobicContact CG-CD1 4.19Å; L567-P590 HydrophobicContact CD1-CG 4.11Å
568	W	98.3	Very high	94	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	25%	0.253	C	S	.	.			trans	-113.5	147.1	176.5	-67.9	-92.9	0	0	0	111.3	T522 W523 P530 Q545 R547 F566 I570	T522-W568 PolarHBondContact O-NE1 3.21Å; W523-W568 AromaticContact CD2-CD1 3.7Å; W523-W568 AromaticContact CE2-CD1 3.95Å; W523-W568 AromaticContact CE3-CD1 3.6Å; W523-W568 HydrophobicContact CH2-CB 4.3Å; W523-W568 HydrophobicContact CH2-CG 4.29Å; W523-W568 HydrophobicContact CZ2-CB 4.05Å; W523-W568 HydrophobicContact CZ2-CG 4.37Å; W523-W568 AromaticContact CZ3-CD1 3.78Å; W523-W568 HydrophobicContact CZ3-CG 4.36Å; P530-W568 HydrophobicContact CB-CD2 3.98Å; P530-W568 HydrophobicContact CB-CE3 3.57Å; P530-W568 HydrophobicContact CB-CG 4.43Å; P530-W568 HydrophobicContact CB-CZ3 4.02Å; P530-W568 HydrophobicContact CG-CB 4.12Å; P530-W568 HydrophobicContact CG-CD2 3.82Å; P530-W568 HydrophobicContact CG-CE3 3.97Å; P530-W568 HydrophobicContact CG-CG 3.89Å; Q545-W568 PolarHBondContact NE2-O 3.26Å; Q545-W568 PolarHBondContact OE1-O 2.69Å; R547-W568 HydrophobicContact CB-CH2 3.98Å; R547-W568 HydrophobicContact CB-CZ3 4.18Å; R547-W568 HydrophobicContact CG-CH2 4.05Å; F566-W568 HydrophobicContact CB-CH2 3.71Å; F566-W568 HydrophobicContact CB-CZ3 3.67Å; F566-W568 AromaticContact CD1-CH2 3.65Å; F566-W568 HydrophobicContact CD1-CH2 3.65Å; F566-W568 HydrophobicContact CD1-CZ2 4.02Å; F566-W568 HydrophobicContact CD1-CZ3 4.46Å; F566-W568 AromaticContact CG-CH2 3.99Å; F566-W568 HydrophobicContact CG-CH2 3.99Å; F566-W568 HydrophobicContact CG-CZ3 4.45Å; W568-I570 HydrophobicContact CB-CD1 4.26Å; W568-I570 HydrophobicContact CB-CG1 3.67Å; W568-I570 PolarHBondContact O-N 3.25Å
569	H	97.1	Very high	93.7	Very high	42 Å²	42	42.4 Å²	42.4	19%	0.194	24%	0.24	C	C	.	.			trans	-86.9	100.4	162.8	-67.2	-174.8	0	0	0	107.4	M519 T522 W523 P571 M586 M587 T588	M519-H569 HydrophobicContact CB-CB 3.86Å; M519-H569 HydrophobicContact CG-CB 3.85Å; T522-H569 PolarHBondContact OG1-N 2.72Å; W523-H569 PolarHBondContact NE1-O 3.41Å; W523-H569 VanDerWaalsContact NE1-O 3.09Å; H569-P571 WeakPolarHBondContact O-CD 3.32Å; H569-M586 HydrophobicContact CB-SD 4.23Å; H569-M587 WeakPolarHBondContact CA-O 3.24Å; H569-T588 HydrophobicContact CB-CG2 4.49Å
570	I	97.5	Very high	93.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.8	-169.8	-50.7	176.5	0	0	0	109.7	W523 P530 V532 Q545 W568 L572 M587 Y613	W523-I570 HydrophobicContact CH2-CG1 4.45Å; W523-I570 HydrophobicContact CZ2-CG1 4.17Å; P530-I570 HydrophobicContact CB-CD1 3.71Å; P530-I570 HydrophobicContact CG-CD1 3.71Å; P530-I570 HydrophobicContact CG-CG1 4.21Å; V532-I570 HydrophobicContact CG2-CD1 3.84Å; Q545-I570 HydrophobicContact CB-CD1 4Å; W568-I570 HydrophobicContact CB-CD1 4.26Å; W568-I570 HydrophobicContact CB-CG1 3.67Å; W568-I570 PolarHBondContact O-N 3.25Å; I570-L572 VanDerWaalsContact C-N 3.28Å; I570-L572 HydrophobicContact CB-CD2 4.33Å; I570-L572 HydrophobicContact CB-CG 4.4Å; I570-L572 HydrophobicContact CG2-CD2 3.53Å; I570-L572 HydrophobicContact CG2-CG 3.99Å; I570-L572 PolarHBondContact O-N 3.18Å; I570-M587 HydrophobicContact CB-CB 4.38Å; I570-M587 PolarHBondContact N-O 3.05Å; I570-M587 PolarHBondContact O-N 3.39Å; I570-Y613 HydrophobicContact CG2-CD1 3.48Å; I570-Y613 VanDerWaalsContact CG2-CD1 3.48Å; I570-Y613 HydrophobicContact CG2-CD2 4.47Å; I570-Y613 HydrophobicContact CG2-CE1 3.56Å; I570-Y613 HydrophobicContact CG2-CG 3.98Å
571	P	95.4	Very high	93	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.032	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	80.1	172.2	33.6	-35.5	0	0	0	109.6	M446 F450 F509 M519 H569 M586	M446-P571 HydrophobicContact CG-CG 3.75Å; M446-P571 HydrophobicContact SD-CG 3.77Å; F450-P571 HydrophobicContact CD2-CB 3.44Å; F450-P571 VanDerWaalsContact CD2-CB 3.44Å; F450-P571 HydrophobicContact CD2-CG 4.2Å; F450-P571 HydrophobicContact CE2-CB 3.82Å; F450-P571 HydrophobicContact CG-CB 4.5Å; F509-P571 HydrophobicContact CD1-CB 3.78Å; F509-P571 HydrophobicContact CE1-CB 3.7Å; M519-P571 HydrophobicContact CE-CB 4.22Å; M519-P571 HydrophobicContact CE-CG 3.67Å; H569-P571 WeakPolarHBondContact O-CD 3.32Å; P571-M586 HydrophobicContact CB-CE 4.07Å
572	L	95.1	Very high	92.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	138.8	-178.4	-63.5	173.9	0	0	0	110.7	V532 L543 I570 R584 H585 M587 I605 Y613	V532-L572 HydrophobicContact CG1-CD2 4.16Å; V532-L572 HydrophobicContact CG2-CD2 4Å; L543-L572 HydrophobicContact CD1-CD1 3.56Å; I570-L572 VanDerWaalsContact C-N 3.28Å; I570-L572 HydrophobicContact CB-CD2 4.33Å; I570-L572 HydrophobicContact CB-CG 4.4Å; I570-L572 HydrophobicContact CG2-CD2 3.53Å; I570-L572 HydrophobicContact CG2-CG 3.99Å; I570-L572 PolarHBondContact O-N 3.18Å; L572-R584 WeakPolarHBondContact O-CA 3.44Å; L572-H585 WeakPolarHBondContact CA-O 3.35Å; L572-H585 HydrophobicContact CB-CB 4.42Å; L572-H585 VanDerWaalsContact CB-O 3.3Å; L572-H585 WeakPolarHBondContact CB-O 3.45Å; L572-H585 PolarHBondContact N-O 3.29Å; L572-H585 PolarHBondContact O-N 3.45Å; L572-M587 HydrophobicContact CD1-CB 3.76Å; L572-M587 HydrophobicContact CD1-CG 4.47Å; L572-M587 HydrophobicContact CD1-SD 4Å; L572-M587 HydrophobicContact CG-CB 4.22Å; L572-I605 HydrophobicContact CD2-CG2 4.28Å; L572-Y613 HydrophobicContact CD2-CD2 4.4Å; L572-Y613 HydrophobicContact CD2-CE1 4.42Å; L572-Y613 HydrophobicContact CD2-CE2 3.71Å
573	T	95.6	Very high	92.9	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144	170.3	61.2	0	0	0	0	109.2	F509 I582 H583 I605 N606 S607 Y613	F509-T573 HydrophobicContact CE1-CG2 4.27Å; T573-I582 HydrophobicContact CG2-CG2 4.17Å; T573-H583 CarbonylContact C-O 3.51Å; T573-H583 VanDerWaalsContact CA-O 3.28Å; T573-H583 WeakPolarHBondContact CA-O 3.3Å; T573-I605 CarbonylContact O-C 3.56Å; T573-I605 WeakPolarHBondContact O-CA 3.45Å; T573-N606 PolarHBondContact O-N 2.86Å; T573-N606 WeakPolarHBondContact OG1-CA 3.48Å; T573-S607 PolarHBondContact OG1-N 3.33Å; T573-Y613 PolarHBondContact N-OH 3.48Å
574	Y	94.8	Very high	92.7	Very high	25 Å²	25	49.7 Å²	49.7	10%	0.098	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	155.4	175.4	68.1	-86.2	0	0	0	113.6	H583 V594 I596 V603 K604 I605	Y574-H583 HydrophobicContact CD1-CB 3.86Å; Y574-H583 HydrophobicContact CD2-CB 3.87Å; Y574-H583 HydrophobicContact CE1-CB 3.43Å; Y574-H583 VanDerWaalsContact CE1-CB 3.43Å; Y574-H583 HydrophobicContact CE2-CB 3.45Å; Y574-H583 VanDerWaalsContact CE2-CB 3.45Å; Y574-H583 AromaticContact CE2-CD2 3.85Å; Y574-H583 AromaticContact CE2-CG 3.73Å; Y574-H583 HydrophobicContact CG-CB 4.06Å; Y574-H583 AromaticContact CZ-CG 3.82Å; Y574-H583 PolarHBondContact N-O 2.94Å; Y574-H583 PolarHBondContact O-N 2.94Å; Y574-V594 HydrophobicContact CE1-CG1 3.69Å; Y574-V594 HydrophobicContact CE2-CG1 4.41Å; Y574-V594 WeakPolarHBondContact OH-CG1 3.39Å; Y574-I596 HydrophobicContact CD2-CG2 4.24Å; Y574-I596 HydrophobicContact CE2-CG2 3.66Å; Y574-V603 HydrophobicContact CD2-CG2 4.14Å; Y574-K604 CarbonylContact C-O 3.47Å; Y574-K604 WeakPolarHBondContact CA-O 3.45Å; Y574-I605 VanDerWaalsContact CB-CD1 3.43Å; Y574-I605 HydrophobicContact CG-CD1 4.19Å
575	K	94	Very high	92.7	Very high	23 Å²	23	45 Å²	45	10%	0.1	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	158	172.3	63	171.9	-177.6	-174.4	0	111.3	W602 V603 K604 D640	K575-W602 HydrophobicContact CG-CZ3 4.19Å; K575-V603 WeakPolarHBondContact O-CA 3.45Å; K575-K604 HydrophobicContact CG-CB 4Å; K575-K604 PolarHBondContact N-O 2.72Å; K575-K604 PolarHBondContact O-N 2.93Å; K575-D640 WeakPolarHBondContact CE-OD2 3.3Å; K575-D640 IonicContact NZ-OD2 3.42Å; K575-D640 PolarHBondContact NZ-OD2 2.66Å
576	T	93.9	Very high	92.8	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	172.7	179.8	64.8	0	0	0	0	109.9	I578 S579 I596 A600 W602 V603	T576-I578 PolarHBondContact O-N 2.96Å; T576-I578 PolarHBondContact OG1-N 2.95Å; T576-S579 PolarHBondContact N-O 3.02Å; T576-S579 CarbonylContact O-C 3.48Å; T576-S579 PolarHBondContact OG1-N 3.15Å; T576-I596 HydrophobicContact CG2-CB 4.48Å; T576-A600 HydrophobicContact CG2-CB 4.26Å; T576-W602 VanDerWaalsContact C-CH2 3.47Å; T576-W602 WeakPolarHBondContact CA-O 3.35Å; T576-W602 WeakPolarHBondContact O-CH2 3.11Å; T576-V603 HydrophobicContact CG2-CB 4.2Å; T576-V603 HydrophobicContact CG2-CG2 4.13Å
577	D	92.2	Very high	92.7	Very high	66 Å²	66	40 Å²	40	35%	0.353	21%	0.213	S	C	.	.	S	Bend	trans	-67.1	-23.5	170.3	57.7	-39.2	0	0	0	114	A600 S601 W602	D577-A600 WeakPolarHBondContact OD1-CA 3.13Å; D577-S601 PolarHBondContact OD1-N 2.93Å; D577-S601 VanDerWaalsContact OD2-CB 3.25Å; D577-S601 WeakPolarHBondContact OD2-CB 3.3Å; D577-S601 PolarHBondContact OD2-N 3.23Å; D577-S601 PolarHBondContact OD2-OG 3.31Å; D577-W602 HydrophobicContact CB-CD2 4.26Å; D577-W602 HydrophobicContact CB-CZ2 3.83Å
578	I	89.7	Confident	92.5	Very high	96 Å²	96	40.7 Å²	40.7	49%	0.492	22%	0.219	S	C	.	.	S	Bend	trans	-74.5	-34.7	179	-54.6	174.4	0	0	0	111	T576 K599 A600	T576-I578 PolarHBondContact O-N 2.96Å; T576-I578 PolarHBondContact OG1-N 2.95Å; I578-K599 HydrophobicContact CD1-CB 3.74Å; I578-K599 HydrophobicContact CG1-CB 4.42Å; I578-A600 HydrophobicContact CD1-CB 3.83Å; I578-A600 HydrophobicContact CG1-CB 4.21Å
579	S	84.4	Confident	92.4	Very high	27 Å²	27	42.6 Å²	42.6	19%	0.189	23%	0.233	C	C	.	.			trans	-140.9	120.7	-170.5	177.2	0	0	0	0	110.6	T576 T581 H583	T576-S579 PolarHBondContact N-O 3.02Å; T576-S579 CarbonylContact O-C 3.48Å; T576-S579 PolarHBondContact OG1-N 3.15Å; S579-T581 PolarHBondContact O-N 2.84Å; S579-T581 WeakPolarHBondContact OG-CB 3.49Å; S579-T581 PolarHBondContact OG-N 2.67Å; S579-T581 PolarHBondContact OG-OG1 3.45Å; S579-H583 PolarHBondContact OG-NE2 3.44Å
580	S	79.3	Confident	92.4	Very high	115 Å²	115	44.4 Å²	44.4	80%	0.804	25%	0.248	S	C	*	.			trans	-75.1	-9.4	169.8	56.6	0	0	0	0	112.9	I582	S580-I582 PolarHBondContact O-N 3.12Å
581	T	88.4	Confident	92.4	Very high	91 Å²	91	48.7 Å²	48.7	56%	0.558	27%	0.274	S	S	*	.	S	Bend	trans	-65.8	131.3	174.3	-51.8	0	0	0	0	109.9	S579 H583	S579-T581 PolarHBondContact O-N 2.84Å; S579-T581 WeakPolarHBondContact OG-CB 3.49Å; S579-T581 PolarHBondContact OG-N 2.67Å; S579-T581 PolarHBondContact OG-OG1 3.45Å; T581-H583 PolarHBondContact O-CD2 3.17Å; T581-H583 PolarHBondContact O-N 2.75Å; T581-H583 VanDerWaalsContact O-N 3.17Å
582	I	90.8	Very high	92.5	Very high	62 Å²	62	50.7 Å²	50.7	32%	0.318	29%	0.285	S	S	.	.			trans	-72.7	109.2	173.6	-60.3	174.4	0	0	0	108.1	T573 S580	T573-I582 HydrophobicContact CG2-CG2 4.17Å; S580-I582 PolarHBondContact O-N 3.12Å
583	H	92.1	Very high	92.6	Very high	65 Å²	65	53 Å²	53	30%	0.301	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	149.3	171.5	-61.2	-83	0	0	0	110	T573 Y574 S579 T581	T573-H583 CarbonylContact C-O 3.51Å; T573-H583 VanDerWaalsContact CA-O 3.28Å; T573-H583 WeakPolarHBondContact CA-O 3.3Å; Y574-H583 HydrophobicContact CD1-CB 3.86Å; Y574-H583 HydrophobicContact CD2-CB 3.87Å; Y574-H583 HydrophobicContact CE1-CB 3.43Å; Y574-H583 VanDerWaalsContact CE1-CB 3.43Å; Y574-H583 HydrophobicContact CE2-CB 3.45Å; Y574-H583 VanDerWaalsContact CE2-CB 3.45Å; Y574-H583 AromaticContact CE2-CD2 3.85Å; Y574-H583 AromaticContact CE2-CG 3.73Å; Y574-H583 HydrophobicContact CG-CB 4.06Å; Y574-H583 AromaticContact CZ-CG 3.82Å; Y574-H583 PolarHBondContact N-O 2.94Å; Y574-H583 PolarHBondContact O-N 2.94Å; S579-H583 PolarHBondContact OG-NE2 3.44Å; T581-H583 PolarHBondContact O-CD2 3.17Å; T581-H583 PolarHBondContact O-N 2.75Å; T581-H583 VanDerWaalsContact O-N 3.17Å
584	R	89.9	Confident	92.5	Very high	78 Å²	78	53.5 Å²	53.5	29%	0.294	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.1	-174.1	-58.4	-178.2	-178.3	-73.9	3.3	110	F509 L572	F509-R584 HydrophobicContact CD1-CB 3.88Å; F509-R584 HydrophobicContact CD1-CG 4.27Å; F509-R584 HydrophobicContact CE1-CB 4.11Å; F509-R584 HydrophobicContact CE1-CG 4.02Å; F509-R584 HydrophobicContact CZ-CG 4.39Å; L572-R584 WeakPolarHBondContact O-CA 3.44Å
585	H	92.6	Very high	92.5	Very high	47 Å²	47	58 Å²	58	22%	0.218	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	131.6	178.4	-178.1	78	0	0	0	110.3	L572 D592 V594	L572-H585 WeakPolarHBondContact CA-O 3.35Å; L572-H585 HydrophobicContact CB-CB 4.42Å; L572-H585 VanDerWaalsContact CB-O 3.3Å; L572-H585 WeakPolarHBondContact CB-O 3.45Å; L572-H585 PolarHBondContact N-O 3.29Å; L572-H585 PolarHBondContact O-N 3.45Å; H585-D592 IonicContact CD2-OD2 3.17Å; H585-D592 IonicContact CE1-OD2 2.65Å; H585-D592 IonicContact NE2-OD1 2.71Å; H585-D592 IonicContact NE2-OD2 2.84Å; H585-D592 PolarHBondContact NE2-OD2 3.27Å; H585-V594 HydrophobicContact CB-CG2 4.04Å
586	M	92.7	Very high	92.3	Very high	27 Å²	27	57.8 Å²	57.8	13%	0.133	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.5	176.7	-178.9	58.4	66	0	0	110	F450 F509 L514 M519 H569 P571 T588	F450-M586 HydrophobicContact CD2-CE 4.21Å; F450-M586 HydrophobicContact CE2-CE 3.16Å; F450-M586 HydrophobicContact CZ-CE 3.54Å; F509-M586 HydrophobicContact CB-CE 4.32Å; L514-M586 HydrophobicContact CD1-CE 4.27Å; M519-M586 HydrophobicContact SD-CE 3.87Å; H569-M586 HydrophobicContact CB-SD 4.23Å; P571-M586 HydrophobicContact CB-CE 4.07Å; M586-T588 HydrophobicContact CG-CG2 3.76Å; M586-T588 HydrophobicContact SD-CG2 4.4Å
587	M	94.9	Very high	91.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112	176.6	-176.7	177.1	-173.8	0	0	110	L543 Q545 H569 I570 L572 S589 P590 D592	L543-M587 HydrophobicContact CB-CE 4.07Å; L543-M587 HydrophobicContact CB-SD 4.12Å; Q545-M587 HydrophobicContact CB-CE 3.99Å; Q545-M587 HydrophobicContact CB-SD 4.38Å; Q545-M587 HydrophobicContact CG-CE 3.94Å; H569-M587 WeakPolarHBondContact CA-O 3.24Å; I570-M587 HydrophobicContact CB-CB 4.38Å; I570-M587 PolarHBondContact N-O 3.05Å; I570-M587 PolarHBondContact O-N 3.39Å; L572-M587 HydrophobicContact CD1-CB 3.76Å; L572-M587 HydrophobicContact CD1-CG 4.47Å; L572-M587 HydrophobicContact CD1-SD 4Å; L572-M587 HydrophobicContact CG-CB 4.22Å; M587-S589 VanDerWaalsContact CE-O 3.3Å; M587-S589 WeakPolarHBondContact CE-O 3.41Å; M587-P590 WeakPolarHBondContact CE-O 3.41Å; M587-D592 HydrophobicContact CE-CB 4.21Å; M587-D592 HydrophobicContact CG-CB 4.12Å
588	T	94.5	Very high	91.3	Very high	70 Å²	70	62.7 Å²	62.7	43%	0.429	35%	0.351	S	S	.	.			trans	-115	0.9	-179.1	62	0	0	0	0	113.8	H569 M586	H569-T588 HydrophobicContact CB-CG2 4.49Å; M586-T588 HydrophobicContact CG-CG2 3.76Å; M586-T588 HydrophobicContact SD-CG2 4.4Å
589	S	96	Very high	91.1	Very high	41 Å²	41	66.9 Å²	66.9	29%	0.287	37%	0.366	S	S	.	.	S	Bend	trans	-119.6	160.6	-179.3	47.6	0	0	0	0	111.3	Q545 M587 T591	Q545-S589 PolarHBondContact NE2-O 3.39Å; M587-S589 VanDerWaalsContact CE-O 3.3Å; M587-S589 WeakPolarHBondContact CE-O 3.41Å; S589-T591 WeakPolarHBondContact CB-O 3.46Å; S589-T591 PolarHBondContact O-N 3.45Å; S589-T591 PolarHBondContact OG-O 3.25Å
590	P	97.3	Very high	91.4	Very high	80 Å²	80	65.7 Å²	65.7	52%	0.519	36%	0.357	S	S	.	.	S	Bend	trans	-57.8	-33	175.9	-26.3	34.6	0	0	0	113.5	R544 Q545 L567 M587	R544-P590 CarbonylContact C-O 3.21Å; R544-P590 WeakPolarHBondContact CA-O 3.43Å; Q545-P590 PolarHBondContact N-O 2.88Å; L567-P590 HydrophobicContact CD1-CG 4.11Å; M587-P590 WeakPolarHBondContact CE-O 3.41Å
591	T	97.9	Very high	92	Very high	90 Å²	90	63.3 Å²	63.3	55%	0.552	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.7	175	57	0	0	0	0	110.9	L543 R544 S589	L543-T591 CarbonylContact O-C 3.56Å; L543-T591 WeakPolarHBondContact O-CA 3.47Å; R544-T591 HydrophobicContact CB-CG2 4.23Å; R544-T591 HydrophobicContact CG-CG2 4.22Å; S589-T591 WeakPolarHBondContact CB-O 3.46Å; S589-T591 PolarHBondContact O-N 3.45Å; S589-T591 PolarHBondContact OG-O 3.25Å
592	D	96.8	Very high	92.2	Very high	48 Å²	48	60.2 Å²	60.2	26%	0.257	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	176.9	-179.7	-153.6	-16.4	0	0	0	110.9	L543 H585 M587	L543-D592 HydrophobicContact CB-CB 4.35Å; L543-D592 PolarHBondContact N-O 3.46Å; L543-D592 PolarHBondContact O-N 2.94Å; H585-D592 IonicContact CD2-OD2 3.17Å; H585-D592 IonicContact CE1-OD2 2.65Å; H585-D592 IonicContact NE2-OD1 2.71Å; H585-D592 IonicContact NE2-OD2 2.84Å; H585-D592 PolarHBondContact NE2-OD2 3.27Å; M587-D592 HydrophobicContact CE-CB 4.21Å; M587-D592 HydrophobicContact CG-CB 4.12Å
593	S	96.1	Very high	92.5	Very high	51 Å²	51	57.7 Å²	57.7	36%	0.357	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	144.1	173.3	72.8	0	0	0	0	113.9	L541	L541-S593 CarbonylContact O-C 3.58Å; L541-S593 WeakPolarHBondContact O-CA 2.98Å; L541-S593 WeakPolarHBondContact O-CB 3.3Å
594	V	94.8	Very high	92.7	Very high	12 Å²	12	54.6 Å²	54.6	7%	0.073	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138	177.7	178.6	0	0	0	0	110.1	R540 L541 L543 Y574 H585 I596	R540-V594 CarbonylContact C-O 3.54Å; R540-V594 WeakPolarHBondContact CA-O 3.47Å; L541-V594 PolarHBondContact N-O 3.23Å; L541-V594 PolarHBondContact O-N 3.02Å; L543-V594 HydrophobicContact CD1-CG2 3.71Å; Y574-V594 HydrophobicContact CE1-CG1 3.69Å; Y574-V594 HydrophobicContact CE2-CG1 4.41Å; Y574-V594 WeakPolarHBondContact OH-CG1 3.39Å; H585-V594 HydrophobicContact CB-CG2 4.04Å; V594-I596 HydrophobicContact CG1-CG2 4.22Å
595	H	93.4	Very high	93	Very high	119 Å²	119	51.1 Å²	51.1	55%	0.551	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.7	175.6	-171.4	81.5	0	0	0	110.5	P539	P539-H595 VanDerWaalsContact CB-CE1 3.49Å; P539-H595 WeakPolarHBondContact CB-CE1 3.45Å; P539-H595 PolarHBondContact O-ND1 3.29Å
596	I	90.8	Very high	93.3	Very high	19 Å²	19	48.9 Å²	48.9	10%	0.097	27%	0.269	C	S	.	.			trans	-114.5	-1.5	-177.1	63.1	162.4	0	0	0	113.5	P539 L541 Y574 T576 V594 A600 V603	P539-I596 PolarHBondContact O-N 3.07Å; L541-I596 HydrophobicContact CD1-CD1 4.12Å; L541-I596 HydrophobicContact CD1-CG2 3.7Å; L541-I596 HydrophobicContact CD2-CD1 3.71Å; L541-I596 HydrophobicContact CD2-CG1 4.41Å; L541-I596 HydrophobicContact CG-CD1 3.85Å; L541-I596 HydrophobicContact CG-CG1 4.14Å; L541-I596 HydrophobicContact CG-CG2 3.95Å; Y574-I596 HydrophobicContact CD2-CG2 4.24Å; Y574-I596 HydrophobicContact CE2-CG2 3.66Å; T576-I596 HydrophobicContact CG2-CB 4.48Å; V594-I596 HydrophobicContact CG1-CG2 4.22Å; I596-A600 HydrophobicContact CD1-CB 4.19Å; I596-V603 HydrophobicContact CD1-CB 4.28Å; I596-V603 HydrophobicContact CD1-CG1 4.41Å
597	G	84.8	Confident	93.4	Very high	19 Å²	19	47.7 Å²	47.7	20%	0.196	26%	0.263	C	S	.	.			trans	82.6	161.2	-177	0	0	0	0	0	113.9	P539	P539-G597 PolarHBondContact O-N 3.3Å
598	E	80.9	Confident	93.4	Very high	159 Å²	159	49.9 Å²	49.9	74%	0.743	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.7	-173.4	-67	-174.9	166.4	0	0	113.8	P539 A600	P539-E598 HydrophobicContact CB-CG 3.72Å; P539-E598 HydrophobicContact CG-CG 4.11Å; E598-A600 VanDerWaalsContact C-N 3.34Å; E598-A600 PolarHBondContact O-N 3.19Å
599	K	85.6	Confident	93.4	Very high	184 Å²	184	46.9 Å²	46.9	80%	0.8	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.7	-169.7	-65.2	-177.5	179.5	-179.9	0	114.5	I578 S601	I578-K599 HydrophobicContact CD1-CB 3.74Å; I578-K599 HydrophobicContact CG1-CB 4.42Å; K599-S601 PolarHBondContact O-N 3.06Å
600	A	90.3	Very high	93.3	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.017	25%	0.245	C	C	.	.			trans	-73.8	124.5	-170	0	0	0	0	0	109.3	R536 T576 D577 I578 I596 E598	R536-A600 PolarHBondContact NH1-O 3.07Å; R536-A600 PolarHBondContact NH2-O 3.05Å; T576-A600 HydrophobicContact CG2-CB 4.26Å; D577-A600 WeakPolarHBondContact OD1-CA 3.13Å; I578-A600 HydrophobicContact CD1-CB 3.83Å; I578-A600 HydrophobicContact CG1-CB 4.21Å; I596-A600 HydrophobicContact CD1-CB 4.19Å; E598-A600 VanDerWaalsContact C-N 3.34Å; E598-A600 PolarHBondContact O-N 3.19Å
601	S	90.5	Very high	93.2	Very high	65 Å²	65	41.8 Å²	41.8	46%	0.455	22%	0.223	S	C	.	.	S	Bend	trans	-79.1	-33.6	176.4	62.3	0	0	0	0	111.8	R536 D577 K599	R536-S601 PolarHBondContact NH1-O 3.19Å; D577-S601 PolarHBondContact OD1-N 2.93Å; D577-S601 VanDerWaalsContact OD2-CB 3.25Å; D577-S601 WeakPolarHBondContact OD2-CB 3.3Å; D577-S601 PolarHBondContact OD2-N 3.23Å; D577-S601 PolarHBondContact OD2-OG 3.31Å; K599-S601 PolarHBondContact O-N 3.06Å
602	W	94.1	Very high	93.2	Very high	27 Å²	27	37.6 Å²	37.6	10%	0.102	20%	0.197	C	C	.	.			trans	-144.7	160.3	178.1	55.8	-100.9	0	0	0	111.9	K575 T576 D577 K604 V624 M625 L628 A635 L636	K575-W602 HydrophobicContact CG-CZ3 4.19Å; T576-W602 VanDerWaalsContact C-CH2 3.47Å; T576-W602 WeakPolarHBondContact CA-O 3.35Å; T576-W602 WeakPolarHBondContact O-CH2 3.11Å; D577-W602 HydrophobicContact CB-CD2 4.26Å; D577-W602 HydrophobicContact CB-CZ2 3.83Å; W602-K604 HydrophobicContact CZ3-CB 4.29Å; W602-V624 HydrophobicContact CB-CG1 3.78Å; W602-M625 HydrophobicContact CB-CE 4.09Å; W602-L628 HydrophobicContact CB-CD2 4.42Å; W602-L628 HydrophobicContact CD2-CD2 3.63Å; W602-L628 HydrophobicContact CE3-CD2 4.22Å; W602-L628 HydrophobicContact CG-CD2 3.71Å; W602-L628 HydrophobicContact CZ2-CD2 4.39Å; W602-A635 HydrophobicContact CZ2-CB 4.22Å; W602-L636 HydrophobicContact CE3-CD2 4.49Å; W602-L636 HydrophobicContact CH2-CD2 4.07Å; W602-L636 HydrophobicContact CZ3-CD2 3.94Å
603	V	95.6	Very high	93.3	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.055	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.4	172	58.7	0	0	0	0	110.3	L541 Y574 K575 T576 I596 I605 Y617 M625	L541-V603 HydrophobicContact CD1-CB 4.28Å; L541-V603 HydrophobicContact CD1-CG1 3.84Å; L541-V603 HydrophobicContact CD1-CG2 3.81Å; L541-V603 HydrophobicContact CD2-CG1 3.85Å; L541-V603 HydrophobicContact CG-CG1 4.49Å; Y574-V603 HydrophobicContact CD2-CG2 4.14Å; K575-V603 WeakPolarHBondContact O-CA 3.45Å; T576-V603 HydrophobicContact CG2-CB 4.2Å; T576-V603 HydrophobicContact CG2-CG2 4.13Å; I596-V603 HydrophobicContact CD1-CB 4.28Å; I596-V603 HydrophobicContact CD1-CG1 4.41Å; V603-I605 HydrophobicContact CG2-CD1 3.91Å; V603-Y617 VanDerWaalsContact O-CE1 3.3Å; V603-Y617 WeakPolarHBondContact O-CE1 3.47Å; V603-M625 WeakPolarHBondContact O-CE 3.44Å
604	K	96.7	Very high	93.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.1	173.1	174.6	56.2	175.7	54	0	108.8	Y574 K575 W602 N606 Y617 L636 D640 H643 L644	Y574-K604 CarbonylContact C-O 3.47Å; Y574-K604 WeakPolarHBondContact CA-O 3.45Å; K575-K604 HydrophobicContact CG-CB 4Å; K575-K604 PolarHBondContact N-O 2.72Å; K575-K604 PolarHBondContact O-N 2.93Å; W602-K604 HydrophobicContact CZ3-CB 4.29Å; K604-N606 PolarHBondContact NZ-O 3.12Å; K604-Y617 WeakPolarHBondContact CD-OH 3.39Å; K604-L636 HydrophobicContact CB-CD2 4.06Å; K604-L636 HydrophobicContact CG-CD2 4.24Å; K604-D640 WeakPolarHBondContact CE-OD1 3.16Å; K604-D640 HydrophobicContact CG-CB 4.36Å; K604-D640 IonicContact NZ-OD1 3.75Å; K604-D640 PolarHBondContact NZ-OD1 3.09Å; K604-H643 PolarHBondContact NZ-ND1 3.27Å; K604-L644 HydrophobicContact CD-CD1 4.48Å; K604-L644 HydrophobicContact CD-CD2 4.17Å; K604-L644 HydrophobicContact CD-CG 4.29Å
605	I	97.4	Very high	93.6	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	152.1	170	-52.6	-57.7	0	0	0	109.7	V534 L541 L572 T573 Y574 V603 Y613 V615 Y617	V534-I605 HydrophobicContact CG1-CG1 4.4Å; V534-I605 HydrophobicContact CG2-CG1 3.72Å; L541-I605 HydrophobicContact CD1-CD1 4.11Å; L572-I605 HydrophobicContact CD2-CG2 4.28Å; T573-I605 CarbonylContact O-C 3.56Å; T573-I605 WeakPolarHBondContact O-CA 3.45Å; Y574-I605 VanDerWaalsContact CB-CD1 3.43Å; Y574-I605 HydrophobicContact CG-CD1 4.19Å; V603-I605 HydrophobicContact CG2-CD1 3.91Å; I605-Y613 HydrophobicContact CG2-CE2 4.11Å; I605-V615 HydrophobicContact CB-CG1 3.97Å; I605-V615 HydrophobicContact CB-CG2 4.07Å; I605-V615 HydrophobicContact CG1-CG1 4.44Å; I605-V615 HydrophobicContact CG2-CG1 4.46Å; I605-V615 HydrophobicContact CG2-CG2 3.91Å; I605-Y617 HydrophobicContact CG1-CE1 4.28Å; I605-Y617 PolarHBondContact N-OH 3.5Å
606	N	97.3	Very high	93.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	59.8	61.9	-175.7	-159.7	-5.3	0	0	0	111.8	T573 K604 D608 M609 T610 G611 Y613 V615	T573-N606 PolarHBondContact O-N 2.86Å; T573-N606 WeakPolarHBondContact OG1-CA 3.48Å; K604-N606 PolarHBondContact NZ-O 3.12Å; N606-D608 PolarHBondContact O-N 2.96Å; N606-M609 PolarHBondContact ND2-SD 3.09Å; N606-M609 PolarHBondContact O-N 3.44Å; N606-M609 WeakPolarHBondContact OD1-CA 3.32Å; N606-T610 PolarHBondContact OD1-N 3.42Å; N606-G611 PolarHBondContact ND2-O 2.84Å; N606-G611 PolarHBondContact OD1-N 2.71Å; N606-Y613 WeakPolarHBondContact CA-OH 3.48Å; N606-Y613 HydrophobicContact CB-CD2 4.34Å; N606-Y613 HydrophobicContact CB-CE2 3.5Å; N606-Y613 PolarHBondContact ND2-O 3.21Å; N606-V615 HydrophobicContact CB-CG2 4.03Å
607	S	95.3	Very high	94.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.014	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-58.2	130.2	-178.9	-163.5	0	0	0	0	109.9	T573 M609 T610 D640	T573-S607 PolarHBondContact OG1-N 3.33Å; S607-M609 PolarHBondContact O-N 3.35Å; S607-M609 VanDerWaalsContact O-N 3.12Å; S607-T610 WeakPolarHBondContact O-CG2 2.98Å; S607-T610 PolarHBondContact O-N 3.31Å; S607-T610 PolarHBondContact O-OG1 3.09Å; S607-D640 WeakPolarHBondContact CA-OD1 3.4Å
608	D	95	Very high	94.7	Very high	46 Å²	46	27.3 Å²	27.3	25%	0.246	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	57.5	18.9	-179.5	-61.9	-44.6	0	0	0	115.6	N606 T610 S637 K639 D640	N606-D608 PolarHBondContact O-N 2.96Å; D608-T610 HydrophobicContact CB-CG2 4.28Å; D608-T610 PolarHBondContact O-N 2.8Å; D608-S637 WeakPolarHBondContact OD1-CB 3.42Å; D608-S637 PolarHBondContact OD1-OG 3.41Å; D608-K639 HydrophobicContact CB-CB 4.18Å; D608-K639 HydrophobicContact CB-CD 4.15Å; D608-D640 PolarHBondContact N-OD1 3.11Å
609	M	94.3	Very high	95.3	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.039	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	56.9	36.8	-177.6	-170	50.1	-167.5	0	0	112.8	L400 F404 I407 N606 S607 G611 H643	L400-M609 HydrophobicContact CD1-CB 3.48Å; L400-M609 VanDerWaalsContact CD1-CB 3.48Å; L400-M609 HydrophobicContact CD1-CG 3.48Å; L400-M609 VanDerWaalsContact CD1-CG 3.48Å; F404-M609 HydrophobicContact CE1-CE 4.49Å; F404-M609 HydrophobicContact CE1-CG 4.08Å; I407-M609 HydrophobicContact CD1-CE 3.4Å; N606-M609 PolarHBondContact ND2-SD 3.09Å; N606-M609 PolarHBondContact O-N 3.44Å; N606-M609 WeakPolarHBondContact OD1-CA 3.32Å; S607-M609 PolarHBondContact O-N 3.35Å; S607-M609 VanDerWaalsContact O-N 3.12Å; M609-G611 VanDerWaalsContact CE-O 3.28Å; M609-G611 WeakPolarHBondContact CE-O 2.93Å; M609-G611 PolarHBondContact O-N 2.89Å; M609-H643 HydrophobicContact CB-CB 4.24Å; M609-H643 PolarHBondContact SD-CD2 2.66Å; M609-H643 PolarHBondContact SD-NE2 2.82Å
610	T	94	Very high	95.7	Very high	10 Å²	10	21.3 Å²	21.3	6%	0.061	12%	0.12	C	C	.	.			trans	-71.7	-19.5	179	47.9	0	0	0	0	112.8	M446 Y449 N606 S607 D608	M446-T610 WeakPolarHBondContact CA-O 3.39Å; M446-T610 WeakPolarHBondContact CB-O 3.28Å; Y449-T610 HydrophobicContact CD1-CG2 3.45Å; Y449-T610 VanDerWaalsContact CD1-CG2 3.45Å; Y449-T610 HydrophobicContact CD2-CG2 4.05Å; Y449-T610 HydrophobicContact CE1-CG2 3.49Å; Y449-T610 VanDerWaalsContact CE1-CG2 3.49Å; Y449-T610 HydrophobicContact CE2-CG2 4.12Å; Y449-T610 HydrophobicContact CG-CG2 3.72Å; N606-T610 PolarHBondContact OD1-N 3.42Å; S607-T610 WeakPolarHBondContact O-CG2 2.98Å; S607-T610 PolarHBondContact O-N 3.31Å; S607-T610 PolarHBondContact O-OG1 3.09Å; D608-T610 HydrophobicContact CB-CG2 4.28Å; D608-T610 PolarHBondContact O-N 2.8Å
611	G	96.3	Very high	96	Very high	4 Å²	4	21.9 Å²	21.9	4%	0.041	13%	0.126	C	C	.	.	S	Bend	trans	-107.4	145.3	177.7	0	0	0	0	0	114	N606 M609 Y613	N606-G611 PolarHBondContact ND2-O 2.84Å; N606-G611 PolarHBondContact OD1-N 2.71Å; M609-G611 VanDerWaalsContact CE-O 3.28Å; M609-G611 WeakPolarHBondContact CE-O 2.93Å; M609-G611 PolarHBondContact O-N 2.89Å; G611-Y613 VanDerWaalsContact C-N 3.29Å; G611-Y613 PolarHBondContact O-N 2.65Å
612	Y	98.1	Very high	96.3	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.008	11%	0.107	C	C	.	.	S	Bend	trans	-84	65.9	177.2	-167.6	-104.1	0	0	0	111.5	A406 I407 D410 K439 C442 V443 W523 I529	A406-Y612 VanDerWaalsContact C-OH 3.26Å; A406-Y612 HydrophobicContact CB-CE2 3.93Å; A406-Y612 WeakPolarHBondContact CB-OH 3.43Å; A406-Y612 PolarHBondContact O-OH 2.88Å; I407-Y612 HydrophobicContact CG1-CD2 4.31Å; I407-Y612 HydrophobicContact CG1-CE2 3.75Å; I407-Y612 PolarHBondContact N-OH 2.67Å; D410-Y612 WeakPolarHBondContact CB-OH 3.32Å; D410-Y612 WeakPolarHBondContact OD2-CE1 3.48Å; D410-Y612 PolarHBondContact OD2-OH 3.44Å; K439-Y612 HydrophobicContact CD-CE1 3.93Å; K439-Y612 HydrophobicContact CG-CD1 4.41Å; K439-Y612 HydrophobicContact CG-CE1 3.72Å; K439-Y612 HydrophobicContact CG-CE2 4.41Å; C442-Y612 HydrophobicContact CB-CD2 3.53Å; C442-Y612 HydrophobicContact CB-CE2 3.98Å; C442-Y612 HydrophobicContact CB-CG 4.39Å; V443-Y612 HydrophobicContact CG2-CD1 4.34Å; V443-Y612 HydrophobicContact CG2-CG 4.42Å; W523-Y612 HydrophobicContact CE3-CD1 4.41Å; W523-Y612 WeakPolarHBondContact CH2-O 3.28Å; W523-Y612 HydrophobicContact CZ3-CD1 4.12Å; W523-Y612 WeakPolarHBondContact CZ3-O 3.45Å; I529-Y612 HydrophobicContact CB-CE1 4.06Å; I529-Y612 HydrophobicContact CD1-CD1 3.87Å; I529-Y612 HydrophobicContact CD1-CD2 4.5Å; I529-Y612 HydrophobicContact CD1-CE1 3.79Å; I529-Y612 HydrophobicContact CD1-CE2 4.45Å; I529-Y612 HydrophobicContact CD1-CG 4.23Å; I529-Y612 HydrophobicContact CG1-CD1 4.05Å; I529-Y612 HydrophobicContact CG1-CE1 4.03Å; I529-Y612 WeakPolarHBondContact CG1-O 3.5Å
613	Y	98.3	Very high	96.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.			trans	-152.7	150.3	178.6	56.5	-93.7	0	0	0	112.5	V532 I570 L572 T573 I605 N606 G611 V615	V532-Y613 HydrophobicContact CB-CD2 4.42Å; V532-Y613 HydrophobicContact CG2-CD2 3.73Å; V532-Y613 HydrophobicContact CG2-CE2 4.32Å; V532-Y613 HydrophobicContact CG2-CG 4.28Å; I570-Y613 HydrophobicContact CG2-CD1 3.48Å; I570-Y613 VanDerWaalsContact CG2-CD1 3.48Å; I570-Y613 HydrophobicContact CG2-CD2 4.47Å; I570-Y613 HydrophobicContact CG2-CE1 3.56Å; I570-Y613 HydrophobicContact CG2-CG 3.98Å; L572-Y613 HydrophobicContact CD2-CD2 4.4Å; L572-Y613 HydrophobicContact CD2-CE1 4.42Å; L572-Y613 HydrophobicContact CD2-CE2 3.71Å; T573-Y613 PolarHBondContact N-OH 3.48Å; I605-Y613 HydrophobicContact CG2-CE2 4.11Å; N606-Y613 WeakPolarHBondContact CA-OH 3.48Å; N606-Y613 HydrophobicContact CB-CD2 4.34Å; N606-Y613 HydrophobicContact CB-CE2 3.5Å; N606-Y613 PolarHBondContact ND2-O 3.21Å; G611-Y613 VanDerWaalsContact C-N 3.29Å; G611-Y613 PolarHBondContact O-N 2.65Å; Y613-V615 HydrophobicContact CD2-CG2 4.05Å; Y613-V615 HydrophobicContact CE2-CG2 3.99Å
614	V	98.4	Very high	96.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	144.4	178.4	179.8	0	0	0	0	109.6	I407 I529 P530 L531 V532 F548 N647 L651	I407-V614 HydrophobicContact CG2-CG2 3.87Å; I529-V614 HydrophobicContact CD1-CG2 4.23Å; P530-V614 PolarHBondContact O-N 2.84Å; L531-V614 CarbonylContact C-O 3.31Å; L531-V614 WeakPolarHBondContact CA-O 3.4Å; L531-V614 HydrophobicContact CD1-CB 4.11Å; L531-V614 HydrophobicContact CD1-CG1 3.82Å; V532-V614 PolarHBondContact N-O 2.64Å; F548-V614 HydrophobicContact CD1-CB 4.49Å; F548-V614 HydrophobicContact CD1-CG2 3.81Å; F548-V614 HydrophobicContact CE1-CG2 4.1Å; F548-V614 HydrophobicContact CE2-CG1 4.42Å; F548-V614 HydrophobicContact CG-CB 4.4Å; F548-V614 HydrophobicContact CG-CG2 4.19Å; V614-N647 HydrophobicContact CG1-CB 4.47Å; V614-L651 HydrophobicContact CG1-CD2 4.35Å; V614-L651 HydrophobicContact CG1-CG 4.45Å
615	V	98.6	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.1	179.4	-178.6	0	0	0	0	110.9	V532 V534 I605 N606 Y613 Y617 N647	V532-V615 WeakPolarHBondContact O-CA 3.46Å; V534-V615 HydrophobicContact CG2-CG1 3.91Å; I605-V615 HydrophobicContact CB-CG1 3.97Å; I605-V615 HydrophobicContact CB-CG2 4.07Å; I605-V615 HydrophobicContact CG1-CG1 4.44Å; I605-V615 HydrophobicContact CG2-CG1 4.46Å; I605-V615 HydrophobicContact CG2-CG2 3.91Å; N606-V615 HydrophobicContact CB-CG2 4.03Å; Y613-V615 HydrophobicContact CD2-CG2 4.05Å; Y613-V615 HydrophobicContact CE2-CG2 3.99Å; V615-Y617 HydrophobicContact CG1-CD2 4.28Å; V615-Y617 HydrophobicContact CG1-CE1 4.1Å; V615-Y617 HydrophobicContact CG1-CE2 3.73Å; V615-N647 PolarHBondContact N-OD1 3.4Å; V615-N647 PolarHBondContact O-OD1 3.37Å
616	H	98.5	Very high	96.6	Very high	25 Å²	25	23.3 Å²	23.3	12%	0.116	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.7	169.9	173.9	61.7	0	0	0	110.9	L531 V532 T533 V534 W622 L651 H656	L531-H616 HydrophobicContact CD1-CB 3.81Å; V532-H616 PolarHBondContact O-N 3.29Å; T533-H616 CarbonylContact C-O 3.18Å; T533-H616 WeakPolarHBondContact CA-O 3.44Å; V534-H616 PolarHBondContact N-O 3.14Å; H616-W622 AromaticContact CE1-NE1 3.94Å; H616-W622 AromaticContact ND1-NE1 3.33Å; H616-W622 PolarHBondContact ND1-NE1 2.94Å; H616-L651 HydrophobicContact CB-CD1 3.86Å; H616-L651 HydrophobicContact CB-CD2 3.85Å; H616-H656 PolarHBondContact CE1-O 2.89Å; H616-H656 VanDerWaalsContact CE1-O 3.3Å
617	Y	98.1	Very high	96.6	Very high	8 Å²	8	28.5 Å²	28.5	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	110.2	171.1	-56.3	-85.4	0	0	0	109.6	V534 V603 K604 I605 V615 W622 M625 L644	V534-Y617 HydrophobicContact CB-CD1 4.19Å; V534-Y617 HydrophobicContact CG1-CD1 4.39Å; V603-Y617 VanDerWaalsContact O-CE1 3.3Å; V603-Y617 WeakPolarHBondContact O-CE1 3.47Å; K604-Y617 WeakPolarHBondContact CD-OH 3.39Å; I605-Y617 HydrophobicContact CG1-CE1 4.28Å; I605-Y617 PolarHBondContact N-OH 3.5Å; V615-Y617 HydrophobicContact CG1-CD2 4.28Å; V615-Y617 HydrophobicContact CG1-CE1 4.1Å; V615-Y617 HydrophobicContact CG1-CE2 3.73Å; Y617-W622 HydrophobicContact CD2-CD2 4.36Å; Y617-W622 AromaticContact CD2-CE2 3.99Å; Y617-W622 HydrophobicContact CD2-CH2 4.38Å; Y617-W622 AromaticContact CD2-CZ2 3.99Å; Y617-W622 HydrophobicContact CD2-CZ2 3.99Å; Y617-W622 PolarHBondContact O-NE1 3.17Å; Y617-M625 HydrophobicContact CD1-CE 4.48Å; Y617-M625 HydrophobicContact CD2-CG 4.26Å; Y617-M625 HydrophobicContact CE1-CE 4.25Å; Y617-M625 HydrophobicContact CE2-CG 4.34Å; Y617-L644 HydrophobicContact CE2-CD2 3.81Å
618	A	95.3	Very high	96.7	Very high	18 Å²	18	29.1 Å²	29.1	15%	0.149	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	175.9	178.5	0	0	0	0	0	112	T533 V534 D620 G621	T533-A618 HydrophobicContact CG2-CB 4.24Å; V534-A618 PolarHBondContact O-N 3.37Å; A618-D620 PolarHBondContact O-N 3.25Å; A618-G621 PolarHBondContact O-N 3.32Å
619	D	94	Very high	96.9	Very high	115 Å²	115	27 Å²	27	62%	0.615	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	-126.8	-180	-59.2	-29.2	0	0	0	111.6	K537 G621	K537-D619 IonicContact NZ-OD2 2.67Å; K537-D619 PolarHBondContact NZ-OD2 3.46Å; D619-G621 VanDerWaalsContact C-N 3.31Å
620	D	94.1	Very high	97	Very high	103 Å²	103	32.6 Å²	32.6	55%	0.551	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	5.8	178.9	66	-27.2	0	0	0	113.6	A618 W622 D623 V624	A618-D620 PolarHBondContact O-N 3.25Å; D620-W622 PolarHBondContact O-N 3.44Å; D620-D623 WeakPolarHBondContact O-CA 3.17Å; D620-D623 WeakPolarHBondContact O-CB 3.07Å; D620-D623 PolarHBondContact O-N 3.35Å; D620-V624 PolarHBondContact O-N 3.22Å
621	G	95.8	Very high	97.2	Very high	14 Å²	14	38.7 Å²	38.7	14%	0.144	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-37.5	-171.7	0	0	0	0	0	114.3	A618 D619 D623 V624 M625	A618-G621 PolarHBondContact O-N 3.32Å; D619-G621 VanDerWaalsContact C-N 3.31Å; G621-D623 VanDerWaalsContact C-N 3.35Å; G621-V624 WeakPolarHBondContact O-CB 3.14Å; G621-V624 PolarHBondContact O-N 3.14Å; G621-M625 WeakPolarHBondContact O-CG 3.46Å; G621-M625 PolarHBondContact O-N 3.17Å; G621-M625 VanDerWaalsContact O-N 3.08Å
622	W	97.8	Very high	97.2	Very high	14 Å²	14	42.5 Å²	42.5	5%	0.053	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-32.1	173	-79.2	104.4	0	0	0	113.1	H616 Y617 D620 V624 M625 A626 L644 N647 A648 L651 L657 L665	H616-W622 AromaticContact CE1-NE1 3.94Å; H616-W622 AromaticContact ND1-NE1 3.33Å; H616-W622 PolarHBondContact ND1-NE1 2.94Å; Y617-W622 HydrophobicContact CD2-CD2 4.36Å; Y617-W622 AromaticContact CD2-CE2 3.99Å; Y617-W622 HydrophobicContact CD2-CH2 4.38Å; Y617-W622 AromaticContact CD2-CZ2 3.99Å; Y617-W622 HydrophobicContact CD2-CZ2 3.99Å; Y617-W622 PolarHBondContact O-NE1 3.17Å; D620-W622 PolarHBondContact O-N 3.44Å; W622-V624 VanDerWaalsContact C-N 3.34Å; W622-M625 PolarHBondContact O-N 3.12Å; W622-A626 WeakPolarHBondContact O-CB 3.34Å; W622-A626 PolarHBondContact O-N 3.44Å; W622-L644 HydrophobicContact CH2-CD2 4.18Å; W622-L644 HydrophobicContact CZ3-CD2 4Å; W622-N647 HydrophobicContact CH2-CB 3.99Å; W622-N647 HydrophobicContact CZ2-CB 4.41Å; W622-A648 HydrophobicContact CE3-CB 4.45Å; W622-A648 HydrophobicContact CH2-CB 3.98Å; W622-A648 HydrophobicContact CZ3-CB 3.84Å; W622-L651 HydrophobicContact CH2-CD1 4.42Å; W622-L651 HydrophobicContact CZ2-CD1 3.44Å; W622-L651 VanDerWaalsContact CZ2-CD1 3.44Å; W622-L657 HydrophobicContact CB-CD1 4.25Å; W622-L657 HydrophobicContact CD2-CD1 4.38Å; W622-L657 HydrophobicContact CD2-CD2 4.23Å; W622-L657 HydrophobicContact CG-CD1 3.79Å; W622-L657 HydrophobicContact CG-CD2 4.45Å; W622-L665 HydrophobicContact CE3-CD1 4.29Å; W622-L665 HydrophobicContact CE3-CD2 4.26Å; W622-L665 HydrophobicContact CZ3-CD1 4.45Å; W622-L665 HydrophobicContact CZ3-CD2 3.84Å
623	D	97.3	Very high	97.1	Very high	69 Å²	69	43.7 Å²	43.7	37%	0.369	22%	0.219	S	C	.	.	H	α-helix	trans	-68.5	-37.2	175.1	-70.4	-42.2	0	0	0	111.2	D620 G621 A626 K627 K661	D620-D623 WeakPolarHBondContact O-CA 3.17Å; D620-D623 WeakPolarHBondContact O-CB 3.07Å; D620-D623 PolarHBondContact O-N 3.35Å; G621-D623 VanDerWaalsContact C-N 3.35Å; D623-A626 PolarHBondContact O-N 2.94Å; D623-K627 VanDerWaalsContact O-CB 3.29Å; D623-K627 WeakPolarHBondContact O-CB 3.34Å; D623-K627 PolarHBondContact O-N 2.79Å; D623-K661 WeakPolarHBondContact OD1-CD 3.5Å; D623-K661 IonicContact OD1-NZ 3.94Å; D623-K661 PolarHBondContact OD1-NZ 3.33Å; D623-K661 IonicContact OD2-NZ 3.23Å; D623-K661 PolarHBondContact OD2-NZ 3.07Å
624	V	96.6	Very high	97.1	Very high	45 Å²	45	48.4 Å²	48.4	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-45.8	170.6	174.7	0	0	0	0	110.9	W602 D620 G621 W622 K627 L628	W602-V624 HydrophobicContact CB-CG1 3.78Å; D620-V624 PolarHBondContact O-N 3.22Å; G621-V624 WeakPolarHBondContact O-CB 3.14Å; G621-V624 PolarHBondContact O-N 3.14Å; W622-V624 VanDerWaalsContact C-N 3.34Å; V624-K627 PolarHBondContact O-N 3.15Å; V624-L628 WeakPolarHBondContact O-CB 3.31Å; V624-L628 PolarHBondContact O-N 2.71Å
625	M	97.9	Very high	96.9	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-44.3	177.4	-65.4	-58.3	137.4	0	0	112.3	W602 V603 Y617 G621 W622 K627 L628 L629 L644 L665	W602-M625 HydrophobicContact CB-CE 4.09Å; V603-M625 WeakPolarHBondContact O-CE 3.44Å; Y617-M625 HydrophobicContact CD1-CE 4.48Å; Y617-M625 HydrophobicContact CD2-CG 4.26Å; Y617-M625 HydrophobicContact CE1-CE 4.25Å; Y617-M625 HydrophobicContact CE2-CG 4.34Å; G621-M625 WeakPolarHBondContact O-CG 3.46Å; G621-M625 PolarHBondContact O-N 3.17Å; G621-M625 VanDerWaalsContact O-N 3.08Å; W622-M625 PolarHBondContact O-N 3.12Å; M625-K627 VanDerWaalsContact C-N 3.34Å; M625-K627 PolarHBondContact O-N 2.8Å; M625-L628 WeakPolarHBondContact O-CB 3.42Å; M625-L628 PolarHBondContact O-N 2.92Å; M625-L629 WeakPolarHBondContact O-CG 3.49Å; M625-L629 PolarHBondContact O-N 3.29Å; M625-L644 HydrophobicContact CG-CD2 4.24Å; M625-L644 HydrophobicContact SD-CD1 4.38Å; M625-L644 HydrophobicContact SD-CD2 4.47Å; M625-L665 HydrophobicContact CB-CD1 4.43Å
626	A	97.9	Very high	96.8	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.033	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-39.9	177.4	0	0	0	0	0	112	W622 D623 L629 R630 L665	W622-A626 WeakPolarHBondContact O-CB 3.34Å; W622-A626 PolarHBondContact O-N 3.44Å; D623-A626 PolarHBondContact O-N 2.94Å; A626-L629 PolarHBondContact O-N 3.12Å; A626-R630 WeakPolarHBondContact O-CG 3.18Å; A626-R630 PolarHBondContact O-N 3.01Å; A626-R630 VanDerWaalsContact O-N 3.1Å; A626-L665 HydrophobicContact CB-CD1 3.97Å
627	K	97.6	Very high	96.7	Very high	108 Å²	108	50.6 Å²	50.6	47%	0.47	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-47.4	172.8	-176.4	-178.7	178.4	-174	0	111.4	D623 V624 M625 L629 R630 E631	D623-K627 VanDerWaalsContact O-CB 3.29Å; D623-K627 WeakPolarHBondContact O-CB 3.34Å; D623-K627 PolarHBondContact O-N 2.79Å; V624-K627 PolarHBondContact O-N 3.15Å; M625-K627 VanDerWaalsContact C-N 3.34Å; M625-K627 PolarHBondContact O-N 2.8Å; K627-L629 VanDerWaalsContact C-N 3.34Å; K627-L629 PolarHBondContact O-N 3.25Å; K627-R630 PolarHBondContact O-N 2.9Å; K627-E631 WeakPolarHBondContact CE-OE1 3.5Å; K627-E631 VanDerWaalsContact CE-OE2 3.23Å; K627-E631 WeakPolarHBondContact CE-OE2 3.39Å; K627-E631 HydrophobicContact CG-CG 4.3Å; K627-E631 WeakPolarHBondContact CG-OE1 3.36Å; K627-E631 IonicContact NZ-OE1 3.61Å; K627-E631 WeakPolarHBondContact O-CB 3.39Å; K627-E631 WeakPolarHBondContact O-CG 3.5Å; K627-E631 PolarHBondContact O-N 3.11Å
628	L	97.3	Very high	96.7	Very high	16 Å²	16	52.4 Å²	52.4	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-57.8	-45.5	178	177.3	61.7	0	0	0	111.9	W602 V624 M625 R630 E631 N632 H633 A635 L636	W602-L628 HydrophobicContact CB-CD2 4.42Å; W602-L628 HydrophobicContact CD2-CD2 3.63Å; W602-L628 HydrophobicContact CE3-CD2 4.22Å; W602-L628 HydrophobicContact CG-CD2 3.71Å; W602-L628 HydrophobicContact CZ2-CD2 4.39Å; V624-L628 WeakPolarHBondContact O-CB 3.31Å; V624-L628 PolarHBondContact O-N 2.71Å; M625-L628 WeakPolarHBondContact O-CB 3.42Å; M625-L628 PolarHBondContact O-N 2.92Å; L628-R630 PolarHBondContact O-N 3.46Å; L628-E631 PolarHBondContact O-N 3.29Å; L628-N632 CarbonylContact O-C 3.57Å; L628-N632 WeakPolarHBondContact O-CA 3.46Å; L628-N632 PolarHBondContact O-N 3.31Å; L628-H633 PolarHBondContact O-N 3.38Å; L628-A635 HydrophobicContact CD1-CB 4.01Å; L628-L636 HydrophobicContact CD2-CD1 3.94Å; L628-L636 HydrophobicContact CD2-CD2 4.23Å; L628-L636 HydrophobicContact CD2-CG 3.95Å
629	L	98.3	Very high	96.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-39.5	178.6	-67.7	176.9	0	0	0	112.2	M625 A626 K627 H633 L636 R641 L644 L665 Y668	M625-L629 WeakPolarHBondContact O-CG 3.49Å; M625-L629 PolarHBondContact O-N 3.29Å; A626-L629 PolarHBondContact O-N 3.12Å; K627-L629 VanDerWaalsContact C-N 3.34Å; K627-L629 PolarHBondContact O-N 3.25Å; L629-H633 HydrophobicContact CD2-CB 4.08Å; L629-H633 VanDerWaalsContact O-CB 3.29Å; L629-H633 WeakPolarHBondContact O-CB 3.5Å; L629-H633 PolarHBondContact O-N 3.34Å; L629-L636 HydrophobicContact CD2-CD1 4.2Å; L629-R641 HydrophobicContact CD2-CB 4.46Å; L629-R641 HydrophobicContact CD2-CG 3.73Å; L629-L644 HydrophobicContact CD1-CD1 4.46Å; L629-L665 HydrophobicContact CD1-CD1 3.59Å; L629-L665 HydrophobicContact CD1-CG 3.99Å; L629-Y668 HydrophobicContact CB-CD1 3.93Å; L629-Y668 HydrophobicContact CB-CD2 4Å; L629-Y668 HydrophobicContact CB-CE1 4.39Å; L629-Y668 HydrophobicContact CB-CE2 4.47Å; L629-Y668 HydrophobicContact CB-CG 3.68Å; L629-Y668 HydrophobicContact CD1-CD1 3.98Å; L629-Y668 HydrophobicContact CD1-CE1 3.77Å; L629-Y668 HydrophobicContact CD2-CE2 4.2Å; L629-Y668 HydrophobicContact CG-CD1 4.47Å; L629-Y668 HydrophobicContact CG-CE1 4.47Å
630	R	97.7	Very high	97	Very high	126 Å²	126	47.9 Å²	47.9	48%	0.475	25%	0.246	S	C	.	.	H	α-helix	trans	-68.8	-40.9	176.9	-71.4	-171.9	-58.8	-107.3	0.2	113.2	A626 K627 L628	A626-R630 WeakPolarHBondContact O-CG 3.18Å; A626-R630 PolarHBondContact O-N 3.01Å; A626-R630 VanDerWaalsContact O-N 3.1Å; K627-R630 PolarHBondContact O-N 2.9Å; L628-R630 PolarHBondContact O-N 3.46Å
631	E	96.6	Very high	97.2	Very high	139 Å²	139	43.7 Å²	43.7	65%	0.65	22%	0.223	S	C	*	.	H	α-helix	trans	-85.1	-38.8	-174.5	-68.5	178.3	175.9	0	0	112.7	K627 L628	K627-E631 WeakPolarHBondContact CE-OE1 3.5Å; K627-E631 VanDerWaalsContact CE-OE2 3.23Å; K627-E631 WeakPolarHBondContact CE-OE2 3.39Å; K627-E631 HydrophobicContact CG-CG 4.3Å; K627-E631 WeakPolarHBondContact CG-OE1 3.36Å; K627-E631 IonicContact NZ-OE1 3.61Å; K627-E631 WeakPolarHBondContact O-CB 3.39Å; K627-E631 WeakPolarHBondContact O-CG 3.5Å; K627-E631 PolarHBondContact O-N 3.11Å; L628-E631 PolarHBondContact O-N 3.29Å
632	N	96.6	Very high	97.3	Very high	83 Å²	83	43 Å²	43	44%	0.444	22%	0.216	S	C	.	.	H	α-helix	trans	-159	65.7	-175.3	-170.3	11.4	0	0	0	112.4	L628 T634 A635	L628-N632 CarbonylContact O-C 3.57Å; L628-N632 WeakPolarHBondContact O-CA 3.46Å; L628-N632 PolarHBondContact O-N 3.31Å; N632-T634 PolarHBondContact O-N 3.15Å; N632-T634 VanDerWaalsContact O-N 3.13Å; N632-T634 PolarHBondContact OD1-OG1 2.87Å; N632-T634 VanDerWaalsContact OD1-OG1 3.07Å; N632-A635 VanDerWaalsContact O-CB 3.27Å; N632-A635 WeakPolarHBondContact O-CB 3.16Å; N632-A635 PolarHBondContact O-N 3.35Å; N632-A635 VanDerWaalsContact O-N 3.07Å
633	H	97.6	Very high	97.3	Very high	28 Å²	28	42.4 Å²	42.4	13%	0.13	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-55.9	-30.5	179.9	63.8	-86.8	0	0	0	113.8	L628 L629 A635 L636 R641 Y668 L671 E672	L628-H633 PolarHBondContact O-N 3.38Å; L629-H633 HydrophobicContact CD2-CB 4.08Å; L629-H633 VanDerWaalsContact O-CB 3.29Å; L629-H633 WeakPolarHBondContact O-CB 3.5Å; L629-H633 PolarHBondContact O-N 3.34Å; H633-A635 PolarHBondContact O-N 3.19Å; H633-L636 PolarHBondContact O-N 3.38Å; H633-R641 WeakPolarHBondContact O-CD 3.47Å; H633-Y668 HydrophobicContact CB-CD2 3.69Å; H633-Y668 HydrophobicContact CB-CE2 3.81Å; H633-L671 PolarHBondContact CE1-O 2.9Å; H633-E672 IonicContact CD2-OE2 3.27Å
634	T	96.4	Very high	97.3	Very high	98 Å²	98	39.1 Å²	39.1	60%	0.601	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-71.2	-7.5	-179.5	56.9	0	0	0	0	114	N632 L636	N632-T634 PolarHBondContact O-N 3.15Å; N632-T634 VanDerWaalsContact O-N 3.13Å; N632-T634 PolarHBondContact OD1-OG1 2.87Å; N632-T634 VanDerWaalsContact OD1-OG1 3.07Å; T634-L636 PolarHBondContact O-N 2.8Å
635	A	95.3	Very high	97.4	Very high	36 Å²	36	37 Å²	37	30%	0.298	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-62.3	-22.4	165.9	0	0	0	0	0	112.6	W602 L628 N632 H633	W602-A635 HydrophobicContact CZ2-CB 4.22Å; L628-A635 HydrophobicContact CD1-CB 4.01Å; N632-A635 VanDerWaalsContact O-CB 3.27Å; N632-A635 WeakPolarHBondContact O-CB 3.16Å; N632-A635 PolarHBondContact O-N 3.35Å; N632-A635 VanDerWaalsContact O-N 3.07Å; H633-A635 PolarHBondContact O-N 3.19Å
636	L	96.6	Very high	97.5	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.183	C	C	.	.	S	Bend	trans	-107.2	147.6	173	-60.4	-177.2	0	0	0	109.9	W602 K604 L628 L629 H633 T634 D640 R641 L644	W602-L636 HydrophobicContact CE3-CD2 4.49Å; W602-L636 HydrophobicContact CH2-CD2 4.07Å; W602-L636 HydrophobicContact CZ3-CD2 3.94Å; K604-L636 HydrophobicContact CB-CD2 4.06Å; K604-L636 HydrophobicContact CG-CD2 4.24Å; L628-L636 HydrophobicContact CD2-CD1 3.94Å; L628-L636 HydrophobicContact CD2-CD2 4.23Å; L628-L636 HydrophobicContact CD2-CG 3.95Å; L629-L636 HydrophobicContact CD2-CD1 4.2Å; H633-L636 PolarHBondContact O-N 3.38Å; T634-L636 PolarHBondContact O-N 2.8Å; L636-D640 HydrophobicContact CB-CB 3.96Å; L636-R641 HydrophobicContact CB-CG 3.85Å; L636-R641 PolarHBondContact O-NH1 2.83Å; L636-L644 HydrophobicContact CD1-CD1 3.48Å; L636-L644 VanDerWaalsContact CD1-CD1 3.48Å
637	S	96.7	Very high	97.5	Very high	33 Å²	33	36.8 Å²	36.8	23%	0.231	18%	0.182	C	C	.	.			trans	-66.2	162.5	172.3	69.3	0	0	0	0	110	D608 K639 D640 R641	D608-S637 WeakPolarHBondContact OD1-CB 3.42Å; D608-S637 PolarHBondContact OD1-OG 3.41Å; S637-K639 PolarHBondContact O-N 3.31Å; S637-K639 PolarHBondContact OG-N 2.95Å; S637-D640 PolarHBondContact O-N 3.27Å; S637-D640 WeakPolarHBondContact OG-CB 3.3Å; S637-D640 PolarHBondContact OG-N 3.28Å; S637-D640 PolarHBondContact OG-OD2 3.38Å; S637-R641 WeakPolarHBondContact O-CG 3.21Å; S637-R641 PolarHBondContact O-N 3.29Å
638	Y	97.4	Very high	97.5	Very high	46 Å²	46	31.7 Å²	31.7	18%	0.18	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-35.3	174.6	72.3	-88.2	0	0	0	111.6	D396 E397 D640 R641 T642 H674 V676	D396-Y638 PolarHBondContact OD2-OH 2.84Å; E397-Y638 HydrophobicContact CG-CE2 4.28Å; Y638-D640 PolarHBondContact O-N 3.09Å; Y638-R641 PolarHBondContact O-N 3.28Å; Y638-T642 WeakPolarHBondContact O-CB 3.25Å; Y638-T642 PolarHBondContact O-N 2.87Å; Y638-T642 PolarHBondContact O-OG1 2.93Å; Y638-H674 AromaticContact CD1-CD2 3.9Å; Y638-H674 AromaticContact CD1-CE1 3.85Å; Y638-H674 AromaticContact CD1-NE2 3.49Å; Y638-H674 WeakPolarHBondContact CD1-NE2 3.35Å; Y638-H674 AromaticContact CD2-CE1 3.4Å; Y638-H674 VanDerWaalsContact CD2-CE1 3.4Å; Y638-H674 WeakPolarHBondContact CD2-CE1 3.47Å; Y638-H674 AromaticContact CD2-ND1 3.7Å; Y638-H674 AromaticContact CD2-NE2 3.93Å; Y638-H674 AromaticContact CE1-NE2 3.82Å; Y638-H674 AromaticContact CE2-CE1 3.72Å; Y638-H674 AromaticContact CG-CD2 3.83Å; Y638-H674 AromaticContact CG-CE1 3.45Å; Y638-H674 VanDerWaalsContact CG-CE1 3.45Å; Y638-H674 AromaticContact CG-CG 3.9Å; Y638-H674 AromaticContact CG-ND1 3.66Å; Y638-H674 AromaticContact CG-NE2 3.54Å; Y638-V676 HydrophobicContact CD2-CB 3.99Å; Y638-V676 HydrophobicContact CD2-CG1 4.36Å; Y638-V676 HydrophobicContact CD2-CG2 4.09Å; Y638-V676 HydrophobicContact CE2-CB 4.42Å; Y638-V676 HydrophobicContact CE2-CG2 4.07Å
639	K	97.4	Very high	97.6	Very high	38 Å²	38	31 Å²	31	17%	0.165	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-44.2	176.1	-63.7	-175.1	-178.6	-179.9	0	111.8	D396 L400 D608 S637 H643	D396-K639 WeakPolarHBondContact OD2-CE 3.47Å; D396-K639 IonicContact OD2-NZ 3.01Å; D396-K639 PolarHBondContact OD2-NZ 2.82Å; L400-K639 HydrophobicContact CD2-CB 4.49Å; L400-K639 HydrophobicContact CD2-CG 4.48Å; D608-K639 HydrophobicContact CB-CB 4.18Å; D608-K639 HydrophobicContact CB-CD 4.15Å; S637-K639 PolarHBondContact O-N 3.31Å; S637-K639 PolarHBondContact OG-N 2.95Å; K639-H643 VanDerWaalsContact O-CB 3.25Å; K639-H643 WeakPolarHBondContact O-CB 3.45Å; K639-H643 PolarHBondContact O-N 2.84Å
640	D	97.9	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-41.4	175.8	-79.5	-41.4	0	0	0	112.7	K575 K604 S607 D608 L636 S637 Y638 H643 L644	K575-D640 WeakPolarHBondContact CE-OD2 3.3Å; K575-D640 IonicContact NZ-OD2 3.42Å; K575-D640 PolarHBondContact NZ-OD2 2.66Å; K604-D640 WeakPolarHBondContact CE-OD1 3.16Å; K604-D640 HydrophobicContact CG-CB 4.36Å; K604-D640 IonicContact NZ-OD1 3.75Å; K604-D640 PolarHBondContact NZ-OD1 3.09Å; S607-D640 WeakPolarHBondContact CA-OD1 3.4Å; D608-D640 PolarHBondContact N-OD1 3.11Å; L636-D640 HydrophobicContact CB-CB 3.96Å; S637-D640 PolarHBondContact O-N 3.27Å; S637-D640 WeakPolarHBondContact OG-CB 3.3Å; S637-D640 PolarHBondContact OG-N 3.28Å; S637-D640 PolarHBondContact OG-OD2 3.38Å; Y638-D640 PolarHBondContact O-N 3.09Å; D640-H643 PolarHBondContact O-N 3.25Å; D640-L644 WeakPolarHBondContact O-CG 3.32Å; D640-L644 PolarHBondContact O-N 2.82Å
641	R	98.5	Very high	97.5	Very high	15 Å²	15	25.6 Å²	25.6	6%	0.057	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-47.2	178.2	-66.5	-165.5	-54.3	-91.6	11.5	111.4	L629 H633 L636 S637 Y638 H643 L644 I645 E672 P677	L629-R641 HydrophobicContact CD2-CB 4.46Å; L629-R641 HydrophobicContact CD2-CG 3.73Å; H633-R641 WeakPolarHBondContact O-CD 3.47Å; L636-R641 HydrophobicContact CB-CG 3.85Å; L636-R641 PolarHBondContact O-NH1 2.83Å; S637-R641 WeakPolarHBondContact O-CG 3.21Å; S637-R641 PolarHBondContact O-N 3.29Å; Y638-R641 PolarHBondContact O-N 3.28Å; R641-H643 VanDerWaalsContact C-N 3.32Å; R641-H643 PolarHBondContact O-N 3.06Å; R641-L644 PolarHBondContact O-N 2.91Å; R641-I645 WeakPolarHBondContact O-CG1 3.3Å; R641-I645 PolarHBondContact O-N 3.26Å; R641-I645 VanDerWaalsContact O-N 3.07Å; R641-E672 IonicContact CZ-OE1 3.4Å; R641-E672 IonicContact CZ-OE2 3.98Å; R641-E672 IonicContact NE-OE2 3.39Å; R641-E672 PolarHBondContact NE-OE2 3.29Å; R641-E672 IonicContact NH2-OE1 3.43Å; R641-E672 PolarHBondContact NH2-OE1 3.05Å; R641-E672 IonicContact NH2-OE2 3.4Å; R641-E672 PolarHBondContact NH2-OE2 3.38Å; R641-P677 HydrophobicContact CB-CB 4.37Å
642	T	98.1	Very high	97.5	Very high	1 Å²	1	19 Å²	19	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-59.9	-43.2	174.4	-54.1	0	0	0	0	111	L400 F404 Y638 L644 I645 H646 V676 P677 E680	L400-T642 HydrophobicContact CD2-CG2 3.75Å; F404-T642 HydrophobicContact CE2-CG2 3.66Å; F404-T642 HydrophobicContact CZ-CG2 4.17Å; Y638-T642 WeakPolarHBondContact O-CB 3.25Å; Y638-T642 PolarHBondContact O-N 2.87Å; Y638-T642 PolarHBondContact O-OG1 2.93Å; T642-L644 PolarHBondContact O-N 2.65Å; T642-I645 PolarHBondContact O-N 2.94Å; T642-H646 WeakPolarHBondContact O-CB 3.29Å; T642-H646 PolarHBondContact O-N 2.86Å; T642-V676 HydrophobicContact CG2-CG1 3.77Å; T642-V676 WeakPolarHBondContact OG1-CG1 3.01Å; T642-P677 WeakPolarHBondContact OG1-CA 3.3Å; T642-P677 WeakPolarHBondContact OG1-CD 3.49Å; T642-E680 HydrophobicContact CG2-CB 3.7Å; T642-E680 HydrophobicContact CG2-CG 3.78Å
643	H	97.5	Very high	97.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.9	-39.9	176.2	179.4	-121.9	0	0	0	113.1	K604 M609 K639 D640 R641 H646 N647	K604-H643 PolarHBondContact NZ-ND1 3.27Å; M609-H643 HydrophobicContact CB-CB 4.24Å; M609-H643 PolarHBondContact SD-CD2 2.66Å; M609-H643 PolarHBondContact SD-NE2 2.82Å; K639-H643 VanDerWaalsContact O-CB 3.25Å; K639-H643 WeakPolarHBondContact O-CB 3.45Å; K639-H643 PolarHBondContact O-N 2.84Å; D640-H643 PolarHBondContact O-N 3.25Å; R641-H643 VanDerWaalsContact C-N 3.32Å; R641-H643 PolarHBondContact O-N 3.06Å; H643-H646 PolarHBondContact O-N 3.45Å; H643-N647 PolarHBondContact CD2-ND2 2.77Å; H643-N647 VanDerWaalsContact CD2-ND2 3.27Å; H643-N647 PolarHBondContact CE1-OD1 2.93Å; H643-N647 VanDerWaalsContact NE2-CG 3.33Å; H643-N647 PolarHBondContact NE2-ND2 2.57Å; H643-N647 PolarHBondContact NE2-OD1 2.93Å; H643-N647 VanDerWaalsContact NE2-OD1 3.11Å; H643-N647 WeakPolarHBondContact O-CB 3.2Å; H643-N647 PolarHBondContact O-N 3.35Å; H643-N647 PolarHBondContact O-ND2 3.37Å
644	L	98.6	Very high	97.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.5	-44.2	174.9	-75.9	171.3	0	0	0	111.7	K604 Y617 W622 M625 L629 L636 D640 R641 T642 A648	K604-L644 HydrophobicContact CD-CD1 4.48Å; K604-L644 HydrophobicContact CD-CD2 4.17Å; K604-L644 HydrophobicContact CD-CG 4.29Å; Y617-L644 HydrophobicContact CE2-CD2 3.81Å; W622-L644 HydrophobicContact CH2-CD2 4.18Å; W622-L644 HydrophobicContact CZ3-CD2 4Å; M625-L644 HydrophobicContact CG-CD2 4.24Å; M625-L644 HydrophobicContact SD-CD1 4.38Å; M625-L644 HydrophobicContact SD-CD2 4.47Å; L629-L644 HydrophobicContact CD1-CD1 4.46Å; L636-L644 HydrophobicContact CD1-CD1 3.48Å; L636-L644 VanDerWaalsContact CD1-CD1 3.48Å; D640-L644 WeakPolarHBondContact O-CG 3.32Å; D640-L644 PolarHBondContact O-N 2.82Å; R641-L644 PolarHBondContact O-N 2.91Å; T642-L644 PolarHBondContact O-N 2.65Å; L644-A648 WeakPolarHBondContact O-CB 3.19Å; L644-A648 PolarHBondContact O-N 2.83Å
645	I	98.7	Very high	97.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.9	-51.8	175.3	-63.1	169.4	0	0	0	109.5	R641 T642 N647 A648 F649 I666 Y668 L669 P677 E680 Y684	R641-I645 WeakPolarHBondContact O-CG1 3.3Å; R641-I645 PolarHBondContact O-N 3.26Å; R641-I645 VanDerWaalsContact O-N 3.07Å; T642-I645 PolarHBondContact O-N 2.94Å; I645-N647 PolarHBondContact O-N 2.95Å; I645-A648 PolarHBondContact O-N 3Å; I645-F649 HydrophobicContact CG2-CD2 3.97Å; I645-F649 HydrophobicContact CG2-CE2 4Å; I645-F649 WeakPolarHBondContact O-CD2 3.43Å; I645-F649 PolarHBondContact O-N 2.91Å; I645-I666 HydrophobicContact CG1-CG2 4.13Å; I645-I666 HydrophobicContact CG2-CG2 3.93Å; I645-Y668 HydrophobicContact CD1-CE1 4.24Å; I645-L669 HydrophobicContact CD1-CD2 4.09Å; I645-P677 HydrophobicContact CD1-CB 4.11Å; I645-P677 WeakPolarHBondContact CD1-O 3.26Å; I645-E680 HydrophobicContact CB-CG 4.12Å; I645-E680 HydrophobicContact CG2-CB 4.47Å; I645-E680 HydrophobicContact CG2-CG 3.76Å; I645-Y684 HydrophobicContact CG2-CD2 3.98Å; I645-Y684 HydrophobicContact CG2-CE2 4.06Å
646	H	98.1	Very high	97.2	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.019	7%	0.065	C	C	.	.	H	α-helix	trans	-55.5	-54.3	179.4	-176.8	81.1	0	0	0	111.6	F404 T642 H643 A648 F649 Q650 E680 Y684	F404-H646 WeakPolarHBondContact CB-CE1 3.5Å; F404-H646 HydrophobicContact CD1-CB 4.18Å; F404-H646 AromaticContact CD1-CD2 3.47Å; F404-H646 VanDerWaalsContact CD1-CD2 3.47Å; F404-H646 WeakPolarHBondContact CD1-CD2 3.36Å; F404-H646 AromaticContact CD1-CE1 3.77Å; F404-H646 AromaticContact CD1-CG 3.5Å; F404-H646 AromaticContact CD1-ND1 3.67Å; F404-H646 AromaticContact CD1-NE2 3.67Å; F404-H646 HydrophobicContact CD2-CB 4.19Å; F404-H646 AromaticContact CD2-CG 3.91Å; F404-H646 AromaticContact CD2-ND1 3.6Å; F404-H646 HydrophobicContact CE1-CB 3.87Å; F404-H646 AromaticContact CE1-CD2 3.78Å; F404-H646 AromaticContact CE1-CG 3.69Å; F404-H646 HydrophobicContact CE2-CB 3.89Å; F404-H646 HydrophobicContact CG-CB 4.34Å; F404-H646 AromaticContact CG-CD2 3.97Å; F404-H646 AromaticContact CG-CE1 3.52Å; F404-H646 AromaticContact CG-CG 3.63Å; F404-H646 AromaticContact CG-ND1 3.31Å; F404-H646 VanDerWaalsContact CG-ND1 3.31Å; F404-H646 WeakPolarHBondContact CG-ND1 3.46Å; F404-H646 AromaticContact CG-NE2 3.93Å; F404-H646 HydrophobicContact CZ-CB 3.72Å; F404-H646 AromaticContact CZ-CG 3.97Å; T642-H646 WeakPolarHBondContact O-CB 3.29Å; T642-H646 PolarHBondContact O-N 2.86Å; H643-H646 PolarHBondContact O-N 3.45Å; H646-A648 VanDerWaalsContact C-N 3.34Å; H646-A648 PolarHBondContact O-N 3.32Å; H646-F649 PolarHBondContact O-N 2.53Å; H646-Q650 WeakPolarHBondContact NE2-CG 3.34Å; H646-Q650 VanDerWaalsContact O-CG 3.3Å; H646-Q650 WeakPolarHBondContact O-CG 3.12Å; H646-Q650 PolarHBondContact O-N 3.14Å; H646-E680 WeakPolarHBondContact CB-OE1 3.25Å; H646-E680 IonicContact CG-OE1 3.62Å; H646-E680 IonicContact ND1-OE1 3.33Å; H646-E680 PolarHBondContact ND1-OE1 3.11Å; H646-Y684 PolarHBondContact ND1-OH 2.84Å
647	N	98.3	Very high	97.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.9	-44.2	179.6	-81	-161.4	0	0	0	112.1	V614 V615 W622 H643 I645 F649 Q650 L651	V614-N647 HydrophobicContact CG1-CB 4.47Å; V615-N647 PolarHBondContact N-OD1 3.4Å; V615-N647 PolarHBondContact O-OD1 3.37Å; W622-N647 HydrophobicContact CH2-CB 3.99Å; W622-N647 HydrophobicContact CZ2-CB 4.41Å; H643-N647 PolarHBondContact CD2-ND2 2.77Å; H643-N647 VanDerWaalsContact CD2-ND2 3.27Å; H643-N647 PolarHBondContact CE1-OD1 2.93Å; H643-N647 VanDerWaalsContact NE2-CG 3.33Å; H643-N647 PolarHBondContact NE2-ND2 2.57Å; H643-N647 PolarHBondContact NE2-OD1 2.93Å; H643-N647 VanDerWaalsContact NE2-OD1 3.11Å; H643-N647 WeakPolarHBondContact O-CB 3.2Å; H643-N647 PolarHBondContact O-N 3.35Å; H643-N647 PolarHBondContact O-ND2 3.37Å; I645-N647 PolarHBondContact O-N 2.95Å; N647-F649 PolarHBondContact O-N 2.65Å; N647-Q650 PolarHBondContact O-N 2.79Å; N647-L651 VanDerWaalsContact O-CB 3.29Å; N647-L651 WeakPolarHBondContact O-CB 3.19Å; N647-L651 WeakPolarHBondContact O-CD1 3.43Å; N647-L651 WeakPolarHBondContact O-CG 3.33Å; N647-L651 PolarHBondContact O-N 3.42Å
648	A	98.5	Very high	97.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57.2	-49	-179.7	0	0	0	0	0	111.7	W622 L644 I645 H646 L651 V652 L657 A662 L665	W622-A648 HydrophobicContact CE3-CB 4.45Å; W622-A648 HydrophobicContact CH2-CB 3.98Å; W622-A648 HydrophobicContact CZ3-CB 3.84Å; L644-A648 WeakPolarHBondContact O-CB 3.19Å; L644-A648 PolarHBondContact O-N 2.83Å; I645-A648 PolarHBondContact O-N 3Å; H646-A648 VanDerWaalsContact C-N 3.34Å; H646-A648 PolarHBondContact O-N 3.32Å; A648-L651 PolarHBondContact O-N 2.93Å; A648-V652 WeakPolarHBondContact O-CG2 3.48Å; A648-V652 PolarHBondContact O-N 3.23Å; A648-L657 HydrophobicContact CB-CD2 3.86Å; A648-A662 HydrophobicContact CB-CB 3.99Å; A648-L665 HydrophobicContact CB-CD2 3.53Å
649	F	98.1	Very high	97.1	Very high	3 Å²	3	11.5 Å²	11.5	1%	0.013	7%	0.069	C	C	.	.	H	α-helix	trans	-73.9	-32.5	-179.7	-74.8	-71.3	0	0	0	114	I645 H646 N647 L651 V652 T653 L659 A662 L663 I666 Y684 F688	I645-F649 HydrophobicContact CG2-CD2 3.97Å; I645-F649 HydrophobicContact CG2-CE2 4Å; I645-F649 WeakPolarHBondContact O-CD2 3.43Å; I645-F649 PolarHBondContact O-N 2.91Å; H646-F649 PolarHBondContact O-N 2.53Å; N647-F649 PolarHBondContact O-N 2.65Å; F649-L651 VanDerWaalsContact C-N 3.34Å; F649-V652 PolarHBondContact O-N 3.47Å; F649-T653 PolarHBondContact O-N 2.99Å; F649-T653 PolarHBondContact O-OG1 3.11Å; F649-T653 VanDerWaalsContact O-OG1 3.08Å; F649-L659 HydrophobicContact CE1-CD1 4.15Å; F649-A662 HydrophobicContact CD1-CB 4.01Å; F649-A662 HydrophobicContact CE1-CB 3.86Å; F649-A662 HydrophobicContact CG-CB 4.41Å; F649-A662 HydrophobicContact CZ-CB 4.13Å; F649-L663 HydrophobicContact CE1-CD2 4.39Å; F649-L663 HydrophobicContact CZ-CD2 4.4Å; F649-I666 HydrophobicContact CE2-CD1 4.41Å; F649-I666 HydrophobicContact CE2-CG2 3.71Å; F649-I666 HydrophobicContact CZ-CD1 3.98Å; F649-I666 HydrophobicContact CZ-CG1 4.44Å; F649-I666 HydrophobicContact CZ-CG2 4.22Å; F649-Y684 HydrophobicContact CB-CD1 3.48Å; F649-Y684 VanDerWaalsContact CB-CD1 3.48Å; F649-Y684 HydrophobicContact CB-CD2 4.08Å; F649-Y684 HydrophobicContact CB-CE1 3.3Å; F649-Y684 HydrophobicContact CB-CE2 3.92Å; F649-Y684 HydrophobicContact CB-CG 3.88Å; F649-Y684 HydrophobicContact CD1-CD1 4.14Å; F649-Y684 HydrophobicContact CD1-CG 4.13Å; F649-Y684 AromaticContact CD2-CD1 3.97Å; F649-Y684 HydrophobicContact CD2-CD1 3.97Å; F649-Y684 AromaticContact CD2-CD2 3.23Å; F649-Y684 HydrophobicContact CD2-CD2 3.23Å; F649-Y684 HydrophobicContact CD2-CE1 4.34Å; F649-Y684 AromaticContact CD2-CE2 3.67Å; F649-Y684 HydrophobicContact CD2-CE2 3.67Å; F649-Y684 AromaticContact CD2-CG 3.42Å; F649-Y684 HydrophobicContact CD2-CG 3.42Å; F649-Y684 VanDerWaalsContact CD2-CG 3.42Å; F649-Y684 AromaticContact CE2-CD2 3.79Å; F649-Y684 HydrophobicContact CE2-CD2 3.79Å; F649-Y684 AromaticContact CE2-CG 3.92Å; F649-Y684 HydrophobicContact CE2-CG 3.92Å; F649-Y684 AromaticContact CG-CD1 3.6Å; F649-Y684 HydrophobicContact CG-CD1 3.6Å; F649-Y684 AromaticContact CG-CD2 3.79Å; F649-Y684 HydrophobicContact CG-CD2 3.79Å; F649-Y684 AromaticContact CG-CE1 3.95Å; F649-Y684 HydrophobicContact CG-CE1 3.95Å; F649-Y684 HydrophobicContact CG-CE2 4.1Å; F649-Y684 AromaticContact CG-CG 3.53Å; F649-Y684 HydrophobicContact CG-CG 3.53Å; F649-Y684 HydrophobicContact CZ-CG 4.46Å; F649-F688 HydrophobicContact CD1-CE2 4.27Å; F649-F688 AromaticContact CD1-CZ 3.7Å; F649-F688 HydrophobicContact CD1-CZ 3.7Å; F649-F688 AromaticContact CE1-CE2 3.69Å; F649-F688 HydrophobicContact CE1-CE2 3.69Å; F649-F688 AromaticContact CE1-CZ 3.6Å; F649-F688 HydrophobicContact CE1-CZ 3.6Å
650	Q	97.1	Very high	97	Very high	11 Å²	11	12.5 Å²	12.5	5%	0.051	8%	0.076	C	C	.	.	H	α-helix	trans	-63.8	-41.7	170.3	-65.5	-45.9	-49.9	0	0	111.1	F548 R550 H646 N647 V652 T653 A654 Y684	F548-Q650 HydrophobicContact CE1-CB 4.14Å; F548-Q650 HydrophobicContact CZ-CB 3.82Å; R550-Q650 VanDerWaalsContact NE-OE1 3.13Å; H646-Q650 WeakPolarHBondContact NE2-CG 3.34Å; H646-Q650 VanDerWaalsContact O-CG 3.3Å; H646-Q650 WeakPolarHBondContact O-CG 3.12Å; H646-Q650 PolarHBondContact O-N 3.14Å; N647-Q650 PolarHBondContact O-N 2.79Å; Q650-V652 VanDerWaalsContact C-N 3.35Å; Q650-V652 PolarHBondContact O-N 3.11Å; Q650-T653 WeakPolarHBondContact O-CA 3.36Å; Q650-T653 WeakPolarHBondContact O-CB 3.47Å; Q650-T653 PolarHBondContact O-N 2.7Å; Q650-T653 VanDerWaalsContact O-N 3.08Å; Q650-A654 PolarHBondContact O-N 3.42Å; Q650-Y684 PolarHBondContact NE2-OH 2.82Å
651	L	97.9	Very high	97	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.3	-33.7	175.9	-69.5	166.8	0	0	0	112.5	L531 F548 V614 H616 W622 N647 A648 F649 T653 A654 G655 H656 L657	L531-L651 HydrophobicContact CD1-CD2 3.78Å; L531-L651 HydrophobicContact CD2-CD2 4.42Å; F548-L651 HydrophobicContact CE2-CD2 4.12Å; V614-L651 HydrophobicContact CG1-CD2 4.35Å; V614-L651 HydrophobicContact CG1-CG 4.45Å; H616-L651 HydrophobicContact CB-CD1 3.86Å; H616-L651 HydrophobicContact CB-CD2 3.85Å; W622-L651 HydrophobicContact CH2-CD1 4.42Å; W622-L651 HydrophobicContact CZ2-CD1 3.44Å; W622-L651 VanDerWaalsContact CZ2-CD1 3.44Å; N647-L651 VanDerWaalsContact O-CB 3.29Å; N647-L651 WeakPolarHBondContact O-CB 3.19Å; N647-L651 WeakPolarHBondContact O-CD1 3.43Å; N647-L651 WeakPolarHBondContact O-CG 3.33Å; N647-L651 PolarHBondContact O-N 3.42Å; A648-L651 PolarHBondContact O-N 2.93Å; F649-L651 VanDerWaalsContact C-N 3.34Å; L651-T653 VanDerWaalsContact C-N 3.29Å; L651-T653 PolarHBondContact O-N 3.27Å; L651-A654 CarbonylContact O-C 3.59Å; L651-A654 PolarHBondContact O-N 3.45Å; L651-G655 PolarHBondContact O-N 3.12Å; L651-H656 HydrophobicContact CB-CB 4.11Å; L651-H656 HydrophobicContact CD2-CB 3.63Å; L651-H656 HydrophobicContact CG-CB 4.44Å; L651-H656 PolarHBondContact O-N 2.8Å; L651-L657 HydrophobicContact CB-CB 3.83Å; L651-L657 PolarHBondContact O-N 3.17Å
652	V	97.1	Very high	96.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61	-40.7	168.9	170.4	0	0	0	0	110.9	A648 F649 Q650 G655 L657 L659 A662 R929	A648-V652 WeakPolarHBondContact O-CG2 3.48Å; A648-V652 PolarHBondContact O-N 3.23Å; F649-V652 PolarHBondContact O-N 3.47Å; Q650-V652 VanDerWaalsContact C-N 3.35Å; Q650-V652 PolarHBondContact O-N 3.11Å; V652-G655 PolarHBondContact O-N 3.43Å; V652-L657 VanDerWaalsContact CA-O 3.3Å; V652-L657 WeakPolarHBondContact CA-O 3.41Å; V652-L657 HydrophobicContact CG2-CB 4.2Å; V652-L657 HydrophobicContact CG2-CD2 4.42Å; V652-L657 HydrophobicContact CG2-CG 4.45Å; V652-L657 WeakPolarHBondContact CG2-O 3.47Å; V652-L659 HydrophobicContact CG1-CB 3.95Å; V652-L659 HydrophobicContact CG1-CD1 4.01Å; V652-A662 HydrophobicContact CG2-CB 3.62Å; V652-R929 PolarHBondContact O-NH2 3.19Å
653	T	95.1	Very high	96.9	Very high	12 Å²	12	14.8 Å²	14.8	7%	0.074	9%	0.086	C	C	.	.	H	α-helix	trans	-66.4	-42.7	176.5	-53.8	0	0	0	0	111.4	R550 H553 F649 Q650 L651 G655 K922 R929	R550-T653 HydrophobicContact CB-CG2 4.07Å; R550-T653 HydrophobicContact CG-CG2 4.25Å; H553-T653 PolarHBondContact NE2-O 3.02Å; F649-T653 PolarHBondContact O-N 2.99Å; F649-T653 PolarHBondContact O-OG1 3.11Å; F649-T653 VanDerWaalsContact O-OG1 3.08Å; Q650-T653 WeakPolarHBondContact O-CA 3.36Å; Q650-T653 WeakPolarHBondContact O-CB 3.47Å; Q650-T653 PolarHBondContact O-N 2.7Å; Q650-T653 VanDerWaalsContact O-N 3.08Å; L651-T653 VanDerWaalsContact C-N 3.29Å; L651-T653 PolarHBondContact O-N 3.27Å; T653-G655 VanDerWaalsContact C-N 3.28Å; T653-G655 PolarHBondContact O-N 2.87Å; T653-K922 HydrophobicContact CG2-CD 4.07Å; T653-K922 HydrophobicContact CG2-CG 3.86Å; T653-R929 PolarHBondContact O-NH2 3.25Å
654	A	94.9	Very high	96.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-77	-6.5	179.7	0	0	0	0	0	114.8	F548 L549 H553 Q650 L651	F548-A654 HydrophobicContact CD2-CB 4.36Å; F548-A654 HydrophobicContact CE2-CB 3.43Å; F548-A654 VanDerWaalsContact CE2-CB 3.43Å; F548-A654 HydrophobicContact CZ-CB 3.82Å; L549-A654 WeakPolarHBondContact O-CB 3.49Å; H553-A654 PolarHBondContact CD2-O 3.3Å; Q650-A654 PolarHBondContact O-N 3.42Å; L651-A654 CarbonylContact O-C 3.59Å; L651-A654 PolarHBondContact O-N 3.45Å
655	G	93.5	Very high	96.6	Very high	34 Å²	34	17.7 Å²	17.7	35%	0.351	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	17.2	179	0	0	0	0	0	115.1	L651 V652 T653 R929	L651-G655 PolarHBondContact O-N 3.12Å; V652-G655 PolarHBondContact O-N 3.43Å; T653-G655 VanDerWaalsContact C-N 3.28Å; T653-G655 PolarHBondContact O-N 2.87Å; G655-R929 VanDerWaalsContact CA-NH1 3.29Å
656	H	94.7	Very high	96.6	Very high	43 Å²	43	17.7 Å²	17.7	20%	0.199	10%	0.102	C	C	.	.	S	Bend	trans	-91.7	-17.8	175.9	-70.7	-78.7	0	0	0	113.5	P554 W559 H616 L651	P554-H656 WeakPolarHBondContact CG-CE1 3.29Å; W559-H656 AromaticContact CH2-NE2 3.89Å; H616-H656 PolarHBondContact CE1-O 2.89Å; H616-H656 VanDerWaalsContact CE1-O 3.3Å; L651-H656 HydrophobicContact CB-CB 4.11Å; L651-H656 HydrophobicContact CD2-CB 3.63Å; L651-H656 HydrophobicContact CG-CB 4.44Å; L651-H656 PolarHBondContact O-N 2.8Å
657	L	96.1	Very high	96.5	Very high	12 Å²	12	18.9 Å²	18.9	6%	0.063	12%	0.115	C	C	.	.	S	Bend	trans	-135.8	136.9	179.7	-168	70.8	0	0	0	109.5	W622 A648 L651 V652 K661 A662	W622-L657 HydrophobicContact CB-CD1 4.25Å; W622-L657 HydrophobicContact CD2-CD1 4.38Å; W622-L657 HydrophobicContact CD2-CD2 4.23Å; W622-L657 HydrophobicContact CG-CD1 3.79Å; W622-L657 HydrophobicContact CG-CD2 4.45Å; A648-L657 HydrophobicContact CB-CD2 3.86Å; L651-L657 HydrophobicContact CB-CB 3.83Å; L651-L657 PolarHBondContact O-N 3.17Å; V652-L657 VanDerWaalsContact CA-O 3.3Å; V652-L657 WeakPolarHBondContact CA-O 3.41Å; V652-L657 HydrophobicContact CG2-CB 4.2Å; V652-L657 HydrophobicContact CG2-CD2 4.42Å; V652-L657 HydrophobicContact CG2-CG 4.45Å; V652-L657 WeakPolarHBondContact CG2-O 3.47Å; L657-K661 HydrophobicContact CD1-CB 4.01Å; L657-K661 HydrophobicContact CD2-CB 4.43Å; L657-K661 HydrophobicContact CG-CB 4.09Å; L657-A662 HydrophobicContact CD2-CB 4.28Å
658	P	95.8	Very high	96.4	Very high	68 Å²	68	19 Å²	19	44%	0.442	12%	0.115	S	C	.	.			trans	-75.2	147.3	174.8	33.2	-35.7	0	0	0	110.7	N660 K661	P658-N660 VanDerWaalsContact C-N 3.31Å; P658-N660 VanDerWaalsContact CB-OD1 3.32Å; P658-N660 WeakPolarHBondContact CB-OD1 3.37Å; P658-N660 WeakPolarHBondContact CG-OD1 3.34Å; P658-N660 PolarHBondContact O-N 3.42Å; P658-K661 HydrophobicContact CG-CB 4.13Å; P658-K661 HydrophobicContact CG-CG 3.61Å; P658-K661 PolarHBondContact O-N 2.67Å; P658-K661 VanDerWaalsContact O-N 3.12Å
659	L	97.4	Very high	96.4	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-57.2	-40.8	-173.1	174.4	62.5	0	0	0	112.9	F649 V652 K661 A662 L663 F688 W926 N930 V933 L934	F649-L659 HydrophobicContact CE1-CD1 4.15Å; V652-L659 HydrophobicContact CG1-CB 3.95Å; V652-L659 HydrophobicContact CG1-CD1 4.01Å; L659-K661 VanDerWaalsContact C-N 3.28Å; L659-K661 PolarHBondContact O-N 2.8Å; L659-A662 PolarHBondContact O-N 3.13Å; L659-A662 VanDerWaalsContact O-N 3.11Å; L659-L663 HydrophobicContact CD1-CD1 4.15Å; L659-L663 HydrophobicContact CD1-CD2 4.43Å; L659-L663 HydrophobicContact CD1-CG 4Å; L659-L663 HydrophobicContact CD2-CD1 4.2Å; L659-L663 HydrophobicContact CG-CD1 3.78Å; L659-L663 HydrophobicContact CG-CG 4.12Å; L659-L663 WeakPolarHBondContact O-CG 3.31Å; L659-L663 PolarHBondContact O-N 3.44Å; L659-F688 HydrophobicContact CD1-CE2 4.03Å; L659-F688 HydrophobicContact CD1-CZ 3.97Å; L659-W926 HydrophobicContact CD1-CZ2 4.38Å; L659-W926 HydrophobicContact CD2-CH2 4.39Å; L659-W926 HydrophobicContact CD2-CZ2 4.27Å; L659-N930 HydrophobicContact CB-CB 4.4Å; L659-N930 HydrophobicContact CD2-CB 3.87Å; L659-V933 HydrophobicContact CB-CG1 4.13Å; L659-L934 HydrophobicContact CD2-CB 3.79Å; L659-L934 HydrophobicContact CD2-CD1 4.43Å
660	N	95.8	Very high	96.2	Very high	59 Å²	59	25.3 Å²	25.3	32%	0.316	15%	0.145	S	C	.	.	H	α-helix	trans	-58.3	-37.6	179.2	63.8	-35.9	0	0	0	112.7	P658 A662 L663 D664 V933	P658-N660 VanDerWaalsContact C-N 3.31Å; P658-N660 VanDerWaalsContact CB-OD1 3.32Å; P658-N660 WeakPolarHBondContact CB-OD1 3.37Å; P658-N660 WeakPolarHBondContact CG-OD1 3.34Å; P658-N660 PolarHBondContact O-N 3.42Å; N660-A662 VanDerWaalsContact C-N 3.34Å; N660-A662 PolarHBondContact O-N 3.48Å; N660-L663 PolarHBondContact O-N 3.07Å; N660-D664 WeakPolarHBondContact O-CB 3.27Å; N660-D664 PolarHBondContact O-N 3.41Å; N660-V933 HydrophobicContact CB-CG1 4.2Å
661	K	96.7	Very high	96.2	Very high	64 Å²	64	29.3 Å²	29.3	28%	0.278	17%	0.166	S	C	.	.	H	α-helix	trans	-65.4	-36.8	176.9	-69.4	-77.1	177.7	171.2	0	112.3	D623 L657 P658 L659 L665	D623-K661 WeakPolarHBondContact OD1-CD 3.5Å; D623-K661 IonicContact OD1-NZ 3.94Å; D623-K661 PolarHBondContact OD1-NZ 3.33Å; D623-K661 IonicContact OD2-NZ 3.23Å; D623-K661 PolarHBondContact OD2-NZ 3.07Å; L657-K661 HydrophobicContact CD1-CB 4.01Å; L657-K661 HydrophobicContact CD2-CB 4.43Å; L657-K661 HydrophobicContact CG-CB 4.09Å; P658-K661 HydrophobicContact CG-CB 4.13Å; P658-K661 HydrophobicContact CG-CG 3.61Å; P658-K661 PolarHBondContact O-N 2.67Å; P658-K661 VanDerWaalsContact O-N 3.12Å; L659-K661 VanDerWaalsContact C-N 3.28Å; L659-K661 PolarHBondContact O-N 2.8Å; K661-L665 WeakPolarHBondContact O-CB 3.25Å; K661-L665 PolarHBondContact O-N 3.26Å
662	A	97.8	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.9	-37.5	174.7	0	0	0	0	0	111.9	A648 F649 V652 L657 L659 N660 L665 I666	A648-A662 HydrophobicContact CB-CB 3.99Å; F649-A662 HydrophobicContact CD1-CB 4.01Å; F649-A662 HydrophobicContact CE1-CB 3.86Å; F649-A662 HydrophobicContact CG-CB 4.41Å; F649-A662 HydrophobicContact CZ-CB 4.13Å; V652-A662 HydrophobicContact CG2-CB 3.62Å; L657-A662 HydrophobicContact CD2-CB 4.28Å; L659-A662 PolarHBondContact O-N 3.13Å; L659-A662 VanDerWaalsContact O-N 3.11Å; N660-A662 VanDerWaalsContact C-N 3.34Å; N660-A662 PolarHBondContact O-N 3.48Å; A662-L665 WeakPolarHBondContact O-CB 3.29Å; A662-L665 PolarHBondContact O-N 3.24Å; A662-I666 PolarHBondContact O-N 3.37Å
663	L	96.9	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-42.2	174	-66.5	172.6	0	0	0	111.7	F649 L659 N660 L665 I666 G667 L685 F688 L934 W937	F649-L663 HydrophobicContact CE1-CD2 4.39Å; F649-L663 HydrophobicContact CZ-CD2 4.4Å; L659-L663 HydrophobicContact CD1-CD1 4.15Å; L659-L663 HydrophobicContact CD1-CD2 4.43Å; L659-L663 HydrophobicContact CD1-CG 4Å; L659-L663 HydrophobicContact CD2-CD1 4.2Å; L659-L663 HydrophobicContact CG-CD1 3.78Å; L659-L663 HydrophobicContact CG-CG 4.12Å; L659-L663 WeakPolarHBondContact O-CG 3.31Å; L659-L663 PolarHBondContact O-N 3.44Å; N660-L663 PolarHBondContact O-N 3.07Å; L663-L665 VanDerWaalsContact C-N 3.29Å; L663-L665 PolarHBondContact O-N 2.93Å; L663-I666 HydrophobicContact CD2-CD1 4.37Å; L663-I666 WeakPolarHBondContact O-CG1 3.47Å; L663-I666 PolarHBondContact O-N 3.44Å; L663-G667 PolarHBondContact O-N 2.87Å; L663-L685 HydrophobicContact CD2-CD2 4.04Å; L663-F688 HydrophobicContact CD2-CE2 4.25Å; L663-L934 HydrophobicContact CD1-CD1 4.05Å; L663-W937 HydrophobicContact CB-CD2 4.11Å; L663-W937 HydrophobicContact CB-CH2 4.15Å; L663-W937 HydrophobicContact CB-CZ2 3.63Å; L663-W937 HydrophobicContact CD1-CB 4.28Å; L663-W937 HydrophobicContact CD1-CD2 3.58Å; L663-W937 HydrophobicContact CD1-CE3 3.75Å; L663-W937 HydrophobicContact CD1-CG 3.82Å; L663-W937 HydrophobicContact CD1-CZ2 4.48Å; L663-W937 HydrophobicContact CD1-CZ3 4.24Å; L663-W937 HydrophobicContact CD2-CH2 4.4Å; L663-W937 HydrophobicContact CD2-CZ3 4.46Å; L663-W937 HydrophobicContact CG-CD2 4.41Å; L663-W937 HydrophobicContact CG-CZ2 4.49Å
664	D	93.1	Very high	96.1	Very high	59 Å²	59	41 Å²	41	32%	0.316	22%	0.217	S	C	.	.	H	α-helix	trans	-64.8	-34.7	175	-66.3	-14.7	0	0	0	111.8	N660 G667 W937	N660-D664 WeakPolarHBondContact O-CB 3.27Å; N660-D664 PolarHBondContact O-N 3.41Å; D664-G667 PolarHBondContact O-N 3.4Å; D664-W937 PolarHBondContact OD1-NE1 3.44Å
665	L	97.7	Very high	96.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-47.1	174.9	-175.9	78.7	0	0	0	110.7	W622 M625 A626 L629 A648 K661 A662 L663 G667 Y668	W622-L665 HydrophobicContact CE3-CD1 4.29Å; W622-L665 HydrophobicContact CE3-CD2 4.26Å; W622-L665 HydrophobicContact CZ3-CD1 4.45Å; W622-L665 HydrophobicContact CZ3-CD2 3.84Å; M625-L665 HydrophobicContact CB-CD1 4.43Å; A626-L665 HydrophobicContact CB-CD1 3.97Å; L629-L665 HydrophobicContact CD1-CD1 3.59Å; L629-L665 HydrophobicContact CD1-CG 3.99Å; A648-L665 HydrophobicContact CB-CD2 3.53Å; K661-L665 WeakPolarHBondContact O-CB 3.25Å; K661-L665 PolarHBondContact O-N 3.26Å; A662-L665 WeakPolarHBondContact O-CB 3.29Å; A662-L665 PolarHBondContact O-N 3.24Å; L663-L665 VanDerWaalsContact C-N 3.29Å; L663-L665 PolarHBondContact O-N 2.93Å; L665-G667 PolarHBondContact O-N 3.44Å; L665-Y668 WeakPolarHBondContact O-CD1 3.48Å
666	I	97.4	Very high	96.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-76.4	-5.4	-179.6	62.7	165.4	0	0	0	114	I645 F649 A662 L663 Y668 L669 L685	I645-I666 HydrophobicContact CG1-CG2 4.13Å; I645-I666 HydrophobicContact CG2-CG2 3.93Å; F649-I666 HydrophobicContact CE2-CD1 4.41Å; F649-I666 HydrophobicContact CE2-CG2 3.71Å; F649-I666 HydrophobicContact CZ-CD1 3.98Å; F649-I666 HydrophobicContact CZ-CG1 4.44Å; F649-I666 HydrophobicContact CZ-CG2 4.22Å; A662-I666 PolarHBondContact O-N 3.37Å; L663-I666 HydrophobicContact CD2-CD1 4.37Å; L663-I666 WeakPolarHBondContact O-CG1 3.47Å; L663-I666 PolarHBondContact O-N 3.44Å; I666-Y668 PolarHBondContact O-N 2.91Å; I666-Y668 VanDerWaalsContact O-N 3.09Å; I666-L669 HydrophobicContact CB-CD1 3.81Å; I666-L669 HydrophobicContact CB-CG 4.29Å; I666-L669 HydrophobicContact CG2-CD1 4.2Å; I666-L669 VanDerWaalsContact O-CB 3.28Å; I666-L669 WeakPolarHBondContact O-CB 3.49Å; I666-L669 VanDerWaalsContact O-CG 3.28Å; I666-L669 WeakPolarHBondContact O-CG 3.15Å; I666-L669 PolarHBondContact O-N 3.41Å; I666-L685 HydrophobicContact CD1-CD1 3.93Å; I666-L685 HydrophobicContact CD1-CD2 4.06Å; I666-L685 HydrophobicContact CD1-CG 4Å
667	G	96	Very high	96.3	Very high	28 Å²	28	38.3 Å²	38.3	29%	0.289	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-56	-27.1	175.8	0	0	0	0	0	113.8	L663 D664 L665 L669	L663-G667 PolarHBondContact O-N 2.87Å; D664-G667 PolarHBondContact O-N 3.4Å; L665-G667 PolarHBondContact O-N 3.44Å; G667-L669 PolarHBondContact O-N 2.97Å
668	Y	97.8	Very high	96.4	Very high	2 Å²	2	38 Å²	38	1%	0.008	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-67.3	-15.8	175.9	88.9	-71.5	0	0	0	114.3	L629 H633 I645 L665 I666 Q670 L671 E672	L629-Y668 HydrophobicContact CB-CD1 3.93Å; L629-Y668 HydrophobicContact CB-CD2 4Å; L629-Y668 HydrophobicContact CB-CE1 4.39Å; L629-Y668 HydrophobicContact CB-CE2 4.47Å; L629-Y668 HydrophobicContact CB-CG 3.68Å; L629-Y668 HydrophobicContact CD1-CD1 3.98Å; L629-Y668 HydrophobicContact CD1-CE1 3.77Å; L629-Y668 HydrophobicContact CD2-CE2 4.2Å; L629-Y668 HydrophobicContact CG-CD1 4.47Å; L629-Y668 HydrophobicContact CG-CE1 4.47Å; H633-Y668 HydrophobicContact CB-CD2 3.69Å; H633-Y668 HydrophobicContact CB-CE2 3.81Å; I645-Y668 HydrophobicContact CD1-CE1 4.24Å; L665-Y668 WeakPolarHBondContact O-CD1 3.48Å; I666-Y668 PolarHBondContact O-N 2.91Å; I666-Y668 VanDerWaalsContact O-N 3.09Å; Y668-Q670 PolarHBondContact O-N 2.86Å; Y668-L671 WeakPolarHBondContact O-CA 3.37Å; Y668-L671 WeakPolarHBondContact O-CB 3.46Å; Y668-L671 PolarHBondContact O-N 3.23Å; Y668-E672 HydrophobicContact CE2-CB 4.23Å
669	L	97.8	Very high	96.4	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-61.7	-17.2	-173.4	-72.8	177.5	0	0	0	113.4	I645 I666 G667 L671 E672 P677 L678 F711 F712	I645-L669 HydrophobicContact CD1-CD2 4.09Å; I666-L669 HydrophobicContact CB-CD1 3.81Å; I666-L669 HydrophobicContact CB-CG 4.29Å; I666-L669 HydrophobicContact CG2-CD1 4.2Å; I666-L669 VanDerWaalsContact O-CB 3.28Å; I666-L669 WeakPolarHBondContact O-CB 3.49Å; I666-L669 VanDerWaalsContact O-CG 3.28Å; I666-L669 WeakPolarHBondContact O-CG 3.15Å; I666-L669 PolarHBondContact O-N 3.41Å; G667-L669 PolarHBondContact O-N 2.97Å; L669-L671 PolarHBondContact O-N 3.5Å; L669-E672 HydrophobicContact CD2-CB 3.93Å; L669-E672 HydrophobicContact CD2-CG 4.1Å; L669-E672 PolarHBondContact O-N 3.08Å; L669-E672 VanDerWaalsContact O-N 3.15Å; L669-P677 HydrophobicContact CD2-CB 4.5Å; L669-L678 HydrophobicContact CB-CD2 4.36Å; L669-L678 HydrophobicContact CD2-CD2 4.42Å; L669-L678 WeakPolarHBondContact O-CD2 3.43Å; L669-F711 HydrophobicContact CB-CE1 3.81Å; L669-F711 HydrophobicContact CB-CZ 4.09Å; L669-F712 HydrophobicContact CD1-CZ 4.27Å
670	Q	94.6	Very high	96.4	Very high	134 Å²	134	36.8 Å²	36.8	63%	0.626	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-60.8	-23.4	168.7	-62.6	-177.2	-12.9	0	0	113.3	Y668 F711	Y668-Q670 PolarHBondContact O-N 2.86Å; Q670-F711 HydrophobicContact CG-CD1 4.48Å; Q670-F711 HydrophobicContact CG-CD2 3.97Å; Q670-F711 HydrophobicContact CG-CE1 4.1Å; Q670-F711 HydrophobicContact CG-CE2 3.52Å; Q670-F711 HydrophobicContact CG-CG 4.43Å; Q670-F711 HydrophobicContact CG-CZ 3.6Å; Q670-F711 VanDerWaalsContact NE2-CD2 3.25Å
671	L	96.1	Very high	96.4	Very high	95 Å²	95	34 Å²	34	50%	0.497	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-98	-12.6	178.5	-52.8	177.6	0	0	0	112.6	H633 Y668 L669	H633-L671 PolarHBondContact CE1-O 2.9Å; Y668-L671 WeakPolarHBondContact O-CA 3.37Å; Y668-L671 WeakPolarHBondContact O-CB 3.46Å; Y668-L671 PolarHBondContact O-N 3.23Å; L669-L671 PolarHBondContact O-N 3.5Å
672	E	97.2	Very high	96.4	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.056	16%	0.158	C	C	.	.			trans	-75.6	141.4	-175.8	179	62.4	-100.3	0	0	111	H633 R641 Y668 L669 H674 P677 L678	H633-E672 IonicContact CD2-OE2 3.27Å; R641-E672 IonicContact CZ-OE1 3.4Å; R641-E672 IonicContact CZ-OE2 3.98Å; R641-E672 IonicContact NE-OE2 3.39Å; R641-E672 PolarHBondContact NE-OE2 3.29Å; R641-E672 IonicContact NH2-OE1 3.43Å; R641-E672 PolarHBondContact NH2-OE1 3.05Å; R641-E672 IonicContact NH2-OE2 3.4Å; R641-E672 PolarHBondContact NH2-OE2 3.38Å; Y668-E672 HydrophobicContact CE2-CB 4.23Å; L669-E672 HydrophobicContact CD2-CB 3.93Å; L669-E672 HydrophobicContact CD2-CG 4.1Å; L669-E672 PolarHBondContact O-N 3.08Å; L669-E672 VanDerWaalsContact O-N 3.15Å; E672-H674 VanDerWaalsContact OE1-CB 3.3Å; E672-H674 WeakPolarHBondContact OE1-CB 3.34Å; E672-H674 PolarHBondContact OE1-N 3.41Å; E672-P677 VanDerWaalsContact CD-CG 3.42Å; E672-P677 HydrophobicContact CG-CB 4.25Å; E672-P677 HydrophobicContact CG-CG 3.73Å; E672-P677 VanDerWaalsContact OE2-CG 3.24Å; E672-P677 WeakPolarHBondContact OE2-CG 3.45Å; E672-L678 HydrophobicContact CB-CD2 3.93Å; E672-L678 HydrophobicContact CB-CG 4.13Å; E672-L678 HydrophobicContact CG-CD1 4.4Å; E672-L678 HydrophobicContact CG-CD2 4.07Å; E672-L678 HydrophobicContact CG-CG 3.7Å
673	K	94.4	Very high	96.2	Very high	189 Å²	189	33.4 Å²	33.4	82%	0.822	18%	0.175	S	C	*	.			trans	-120.3	-17.4	178.8	-62.4	-174.2	-179.7	-178.1	0	113.1
674	H	96.2	Very high	96.1	Very high	55 Å²	55	34.8 Å²	34.8	26%	0.255	18%	0.18	S	C	.	.			trans	-80.7	131.7	-179.4	-160.6	-74.2	0	0	0	110.7	E397 Y638 E672 V676 P677 L678	E397-H674 IonicContact OE1-CE1 3.9Å; Y638-H674 AromaticContact CD1-CD2 3.9Å; Y638-H674 AromaticContact CD1-CE1 3.85Å; Y638-H674 AromaticContact CD1-NE2 3.49Å; Y638-H674 WeakPolarHBondContact CD1-NE2 3.35Å; Y638-H674 AromaticContact CD2-CE1 3.4Å; Y638-H674 VanDerWaalsContact CD2-CE1 3.4Å; Y638-H674 WeakPolarHBondContact CD2-CE1 3.47Å; Y638-H674 AromaticContact CD2-ND1 3.7Å; Y638-H674 AromaticContact CD2-NE2 3.93Å; Y638-H674 AromaticContact CE1-NE2 3.82Å; Y638-H674 AromaticContact CE2-CE1 3.72Å; Y638-H674 AromaticContact CG-CD2 3.83Å; Y638-H674 AromaticContact CG-CE1 3.45Å; Y638-H674 VanDerWaalsContact CG-CE1 3.45Å; Y638-H674 AromaticContact CG-CG 3.9Å; Y638-H674 AromaticContact CG-ND1 3.66Å; Y638-H674 AromaticContact CG-NE2 3.54Å; E672-H674 VanDerWaalsContact OE1-CB 3.3Å; E672-H674 WeakPolarHBondContact OE1-CB 3.34Å; E672-H674 PolarHBondContact OE1-N 3.41Å; H674-V676 PolarHBondContact ND1-N 2.9Å; H674-V676 PolarHBondContact O-N 3.35Å; H674-P677 HydrophobicContact CB-CG 3.92Å; H674-P677 WeakPolarHBondContact O-CD 3.48Å; H674-P677 WeakPolarHBondContact O-CG 3.43Å; H674-L678 WeakPolarHBondContact O-CG 3.5Å; H674-L678 PolarHBondContact O-N 3.35Å
675	T	95.2	Very high	96.2	Very high	9 Å²	9	32 Å²	32	6%	0.055	17%	0.165	C	C	.	.	H	α-helix	trans	-54.1	-50.7	-177.1	-64.8	0	0	0	0	113	L678 L679 S728 L732	T675-L678 WeakPolarHBondContact O-CB 3.49Å; T675-L678 PolarHBondContact O-N 3.36Å; T675-L679 HydrophobicContact CG2-CD1 3.49Å; T675-L679 VanDerWaalsContact CG2-CD1 3.49Å; T675-L679 HydrophobicContact CG2-CG 3.94Å; T675-L679 WeakPolarHBondContact O-CG 3.32Å; T675-L679 PolarHBondContact O-N 3.12Å; T675-S728 VanDerWaalsContact CG2-O 3.32Å; T675-S728 WeakPolarHBondContact CG2-O 3.27Å; T675-S728 PolarHBondContact OG1-O 3.01Å; T675-S728 VanDerWaalsContact OG1-O 3.04Å; T675-L732 HydrophobicContact CG2-CB 3.84Å; T675-L732 HydrophobicContact CG2-CD1 4.28Å
676	V	95.7	Very high	96	Very high	12 Å²	12	34.6 Å²	34.6	7%	0.073	18%	0.177	C	C	.	.	H	α-helix	trans	-55.8	-56.8	-172.6	-175.6	0	0	0	0	113.8	E397 L400 Y638 T642 H674 L678 L679 E680	E397-V676 HydrophobicContact CB-CG2 3.74Å; E397-V676 VanDerWaalsContact CD-CG2 3.47Å; E397-V676 HydrophobicContact CG-CG2 3.6Å; E397-V676 VanDerWaalsContact OE2-CG2 3.3Å; E397-V676 WeakPolarHBondContact OE2-CG2 3.39Å; L400-V676 HydrophobicContact CD2-CG1 4.16Å; Y638-V676 HydrophobicContact CD2-CB 3.99Å; Y638-V676 HydrophobicContact CD2-CG1 4.36Å; Y638-V676 HydrophobicContact CD2-CG2 4.09Å; Y638-V676 HydrophobicContact CE2-CB 4.42Å; Y638-V676 HydrophobicContact CE2-CG2 4.07Å; T642-V676 HydrophobicContact CG2-CG1 3.77Å; T642-V676 WeakPolarHBondContact OG1-CG1 3.01Å; H674-V676 PolarHBondContact ND1-N 2.9Å; H674-V676 PolarHBondContact O-N 3.35Å; V676-L678 VanDerWaalsContact C-N 3.34Å; V676-L678 PolarHBondContact O-N 3.36Å; V676-L679 PolarHBondContact O-N 3.01Å; V676-E680 PolarHBondContact O-N 3.15Å
677	P	97.5	Very high	95.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-32	177.7	23.3	-33.4	0	0	0	113.7	R641 T642 I645 L669 E672 H674 G681	R641-P677 HydrophobicContact CB-CB 4.37Å; T642-P677 WeakPolarHBondContact OG1-CA 3.3Å; T642-P677 WeakPolarHBondContact OG1-CD 3.49Å; I645-P677 HydrophobicContact CD1-CB 4.11Å; I645-P677 WeakPolarHBondContact CD1-O 3.26Å; L669-P677 HydrophobicContact CD2-CB 4.5Å; E672-P677 VanDerWaalsContact CD-CG 3.42Å; E672-P677 HydrophobicContact CG-CB 4.25Å; E672-P677 HydrophobicContact CG-CG 3.73Å; E672-P677 VanDerWaalsContact OE2-CG 3.24Å; E672-P677 WeakPolarHBondContact OE2-CG 3.45Å; H674-P677 HydrophobicContact CB-CG 3.92Å; H674-P677 WeakPolarHBondContact O-CD 3.48Å; H674-P677 WeakPolarHBondContact O-CG 3.43Å; P677-G681 PolarHBondContact O-N 3.43Å; P677-G681 VanDerWaalsContact O-N 3.12Å
678	L	97	Very high	95.6	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-51.5	172.8	-77	168.2	0	0	0	111.1	L669 E672 H674 T675 V676 G681 L682 F712	L669-L678 HydrophobicContact CB-CD2 4.36Å; L669-L678 HydrophobicContact CD2-CD2 4.42Å; L669-L678 WeakPolarHBondContact O-CD2 3.43Å; E672-L678 HydrophobicContact CB-CD2 3.93Å; E672-L678 HydrophobicContact CB-CG 4.13Å; E672-L678 HydrophobicContact CG-CD1 4.4Å; E672-L678 HydrophobicContact CG-CD2 4.07Å; E672-L678 HydrophobicContact CG-CG 3.7Å; H674-L678 WeakPolarHBondContact O-CG 3.5Å; H674-L678 PolarHBondContact O-N 3.35Å; T675-L678 WeakPolarHBondContact O-CB 3.49Å; T675-L678 PolarHBondContact O-N 3.36Å; V676-L678 VanDerWaalsContact C-N 3.34Å; V676-L678 PolarHBondContact O-N 3.36Å; L678-G681 PolarHBondContact O-N 3.45Å; L678-L682 WeakPolarHBondContact O-CB 3.22Å; L678-L682 PolarHBondContact O-N 3.46Å; L678-F712 HydrophobicContact CD2-CE1 4.16Å
679	L	95.8	Very high	95.3	Very high	21 Å²	21	37.6 Å²	37.6	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-37.5	-179.5	-70.5	-176.2	0	0	0	112.2	T675 V676 L682 A683 R731 L732 E735 V736	T675-L679 HydrophobicContact CG2-CD1 3.49Å; T675-L679 VanDerWaalsContact CG2-CD1 3.49Å; T675-L679 HydrophobicContact CG2-CG 3.94Å; T675-L679 WeakPolarHBondContact O-CG 3.32Å; T675-L679 PolarHBondContact O-N 3.12Å; V676-L679 PolarHBondContact O-N 3.01Å; L679-L682 HydrophobicContact CD2-CD2 4.4Å; L679-L682 PolarHBondContact O-N 3.27Å; L679-A683 VanDerWaalsContact O-CB 3.27Å; L679-A683 WeakPolarHBondContact O-CB 3.37Å; L679-A683 PolarHBondContact O-N 3.21Å; L679-R731 HydrophobicContact CD1-CG 4.11Å; L679-L732 HydrophobicContact CD2-CD1 3.74Å; L679-L732 HydrophobicContact CG-CD1 4.02Å; L679-E735 HydrophobicContact CD1-CG 4.28Å; L679-E735 HydrophobicContact CD2-CB 3.8Å; L679-E735 HydrophobicContact CD2-CG 4.25Å; L679-V736 HydrophobicContact CD2-CG2 4.34Å
680	E	96.8	Very high	94.9	Very high	23 Å²	23	39 Å²	39	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-46.6	176.6	-176.9	72.1	-171.9	0	0	111.4	T642 I645 H646 V676 A683 Y684	T642-E680 HydrophobicContact CG2-CB 3.7Å; T642-E680 HydrophobicContact CG2-CG 3.78Å; I645-E680 HydrophobicContact CB-CG 4.12Å; I645-E680 HydrophobicContact CG2-CB 4.47Å; I645-E680 HydrophobicContact CG2-CG 3.76Å; H646-E680 WeakPolarHBondContact CB-OE1 3.25Å; H646-E680 IonicContact CG-OE1 3.62Å; H646-E680 IonicContact ND1-OE1 3.33Å; H646-E680 PolarHBondContact ND1-OE1 3.11Å; V676-E680 PolarHBondContact O-N 3.15Å; E680-A683 PolarHBondContact O-N 3.37Å; E680-Y684 HydrophobicContact CG-CD2 4.45Å; E680-Y684 HydrophobicContact CG-CE2 3.98Å; E680-Y684 WeakPolarHBondContact O-CD2 3.12Å; E680-Y684 PolarHBondContact O-N 2.97Å; E680-Y684 WeakPolarHBondContact OE1-CE2 3.28Å; E680-Y684 PolarHBondContact OE1-OH 2.9Å
681	G	96.6	Very high	94.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-40.4	176.6	0	0	0	0	0	112.9	P677 L678 Y684 L685	P677-G681 PolarHBondContact O-N 3.43Å; P677-G681 VanDerWaalsContact O-N 3.12Å; L678-G681 PolarHBondContact O-N 3.45Å; G681-Y684 PolarHBondContact O-N 3.34Å; G681-L685 PolarHBondContact O-N 2.97Å
682	L	95.9	Very high	94.3	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-44.1	176.2	-172.4	62.1	0	0	0	111.7	L678 L679 Y684 L685 E686 I708 F712 V736 L739	L678-L682 WeakPolarHBondContact O-CB 3.22Å; L678-L682 PolarHBondContact O-N 3.46Å; L679-L682 HydrophobicContact CD2-CD2 4.4Å; L679-L682 PolarHBondContact O-N 3.27Å; L682-Y684 VanDerWaalsContact C-N 3.31Å; L682-Y684 PolarHBondContact O-N 3.24Å; L682-L685 PolarHBondContact O-N 2.85Å; L682-L685 VanDerWaalsContact O-N 3.12Å; L682-E686 WeakPolarHBondContact O-CB 3.3Å; L682-E686 PolarHBondContact O-N 3.38Å; L682-I708 HydrophobicContact CD1-CG2 4.01Å; L682-F712 HydrophobicContact CB-CZ 4.26Å; L682-F712 HydrophobicContact CD1-CD2 3.6Å; L682-F712 HydrophobicContact CD1-CE2 3.53Å; L682-F712 HydrophobicContact CD1-CG 4.16Å; L682-F712 HydrophobicContact CD1-CZ 4.02Å; L682-V736 HydrophobicContact CD2-CG2 4.05Å; L682-L739 HydrophobicContact CD1-CD2 3.44Å; L682-L739 VanDerWaalsContact CD1-CD2 3.44Å; L682-L739 HydrophobicContact CD2-CD2 3.74Å; L682-L739 HydrophobicContact CG-CD2 3.63Å
683	A	94.4	Very high	93.9	Very high	42 Å²	42	30.7 Å²	30.7	35%	0.347	15%	0.154	S	C	.	.	H	α-helix	trans	-59.4	-39	-179.6	0	0	0	0	0	112.4	L679 E680 E686 V687	L679-A683 VanDerWaalsContact O-CB 3.27Å; L679-A683 WeakPolarHBondContact O-CB 3.37Å; L679-A683 PolarHBondContact O-N 3.21Å; E680-A683 PolarHBondContact O-N 3.37Å; A683-E686 PolarHBondContact O-N 3.02Å; A683-V687 VanDerWaalsContact O-CG2 3.3Å; A683-V687 WeakPolarHBondContact O-CG2 3.09Å; A683-V687 PolarHBondContact O-N 2.95Å
684	Y	95.6	Very high	93.4	Very high	28 Å²	28	23.4 Å²	23.4	11%	0.11	12%	0.122	C	C	.	.	H	α-helix	trans	-66.3	-41	175	-76.5	-68.1	0	0	0	112.9	I645 H646 F649 Q650 E680 G681 L682 E686 V687 F688	I645-Y684 HydrophobicContact CG2-CD2 3.98Å; I645-Y684 HydrophobicContact CG2-CE2 4.06Å; H646-Y684 PolarHBondContact ND1-OH 2.84Å; F649-Y684 HydrophobicContact CB-CD1 3.48Å; F649-Y684 VanDerWaalsContact CB-CD1 3.48Å; F649-Y684 HydrophobicContact CB-CD2 4.08Å; F649-Y684 HydrophobicContact CB-CE1 3.3Å; F649-Y684 HydrophobicContact CB-CE2 3.92Å; F649-Y684 HydrophobicContact CB-CG 3.88Å; F649-Y684 HydrophobicContact CD1-CD1 4.14Å; F649-Y684 HydrophobicContact CD1-CG 4.13Å; F649-Y684 AromaticContact CD2-CD1 3.97Å; F649-Y684 HydrophobicContact CD2-CD1 3.97Å; F649-Y684 AromaticContact CD2-CD2 3.23Å; F649-Y684 HydrophobicContact CD2-CD2 3.23Å; F649-Y684 HydrophobicContact CD2-CE1 4.34Å; F649-Y684 AromaticContact CD2-CE2 3.67Å; F649-Y684 HydrophobicContact CD2-CE2 3.67Å; F649-Y684 AromaticContact CD2-CG 3.42Å; F649-Y684 HydrophobicContact CD2-CG 3.42Å; F649-Y684 VanDerWaalsContact CD2-CG 3.42Å; F649-Y684 AromaticContact CE2-CD2 3.79Å; F649-Y684 HydrophobicContact CE2-CD2 3.79Å; F649-Y684 AromaticContact CE2-CG 3.92Å; F649-Y684 HydrophobicContact CE2-CG 3.92Å; F649-Y684 AromaticContact CG-CD1 3.6Å; F649-Y684 HydrophobicContact CG-CD1 3.6Å; F649-Y684 AromaticContact CG-CD2 3.79Å; F649-Y684 HydrophobicContact CG-CD2 3.79Å; F649-Y684 AromaticContact CG-CE1 3.95Å; F649-Y684 HydrophobicContact CG-CE1 3.95Å; F649-Y684 HydrophobicContact CG-CE2 4.1Å; F649-Y684 AromaticContact CG-CG 3.53Å; F649-Y684 HydrophobicContact CG-CG 3.53Å; F649-Y684 HydrophobicContact CZ-CG 4.46Å; Q650-Y684 PolarHBondContact NE2-OH 2.82Å; E680-Y684 HydrophobicContact CG-CD2 4.45Å; E680-Y684 HydrophobicContact CG-CE2 3.98Å; E680-Y684 WeakPolarHBondContact O-CD2 3.12Å; E680-Y684 PolarHBondContact O-N 2.97Å; E680-Y684 WeakPolarHBondContact OE1-CE2 3.28Å; E680-Y684 PolarHBondContact OE1-OH 2.9Å; G681-Y684 PolarHBondContact O-N 3.34Å; L682-Y684 VanDerWaalsContact C-N 3.31Å; L682-Y684 PolarHBondContact O-N 3.24Å; Y684-E686 VanDerWaalsContact C-N 3.33Å; Y684-V687 PolarHBondContact O-N 3.04Å; Y684-F688 WeakPolarHBondContact O-CD1 3.32Å; Y684-F688 WeakPolarHBondContact O-CD2 3.26Å; Y684-F688 VanDerWaalsContact O-CG 3.3Å; Y684-F688 WeakPolarHBondContact O-CG 3.44Å; Y684-F688 PolarHBondContact O-N 3.29Å; Y684-F688 VanDerWaalsContact O-N 3.14Å
685	L	95.3	Very high	92.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.6	-38.2	176.5	-67.9	172.9	0	0	0	111.5	L663 I666 G681 L682 F688 Y689 Y707 I708 F712	L663-L685 HydrophobicContact CD2-CD2 4.04Å; I666-L685 HydrophobicContact CD1-CD1 3.93Å; I666-L685 HydrophobicContact CD1-CD2 4.06Å; I666-L685 HydrophobicContact CD1-CG 4Å; G681-L685 PolarHBondContact O-N 2.97Å; L682-L685 PolarHBondContact O-N 2.85Å; L682-L685 VanDerWaalsContact O-N 3.12Å; L685-F688 HydrophobicContact CD2-CD2 4.26Å; L685-F688 PolarHBondContact O-N 3.2Å; L685-Y689 PolarHBondContact O-N 3.47Å; L685-Y707 HydrophobicContact CD1-CE1 4.28Å; L685-I708 HydrophobicContact CB-CD1 4.03Å; L685-I708 HydrophobicContact CB-CG1 4.13Å; L685-I708 HydrophobicContact CD1-CG1 4.47Å; L685-F712 HydrophobicContact CD1-CE2 3.78Å; L685-F712 HydrophobicContact CD1-CZ 4.39Å
686	E	93.6	Very high	92	Very high	58 Å²	58	30 Å²	30	27%	0.271	16%	0.156	S	C	.	.	H	α-helix	trans	-63.3	-42.5	174	-173.3	-174.6	172.4	0	0	111.7	L682 A683 Y684 F688 Y689 H690 L739	L682-E686 WeakPolarHBondContact O-CB 3.3Å; L682-E686 PolarHBondContact O-N 3.38Å; A683-E686 PolarHBondContact O-N 3.02Å; Y684-E686 VanDerWaalsContact C-N 3.33Å; E686-F688 VanDerWaalsContact C-N 3.27Å; E686-F688 PolarHBondContact O-N 3.1Å; E686-Y689 WeakPolarHBondContact O-CB 3.49Å; E686-Y689 PolarHBondContact O-N 3.47Å; E686-Y689 VanDerWaalsContact O-N 3.13Å; E686-H690 WeakPolarHBondContact CG-NE2 3.38Å; E686-H690 PolarHBondContact O-CD2 3.17Å; E686-H690 PolarHBondContact O-N 3.28Å; E686-H690 IonicContact OE1-CD2 2.61Å; E686-H690 IonicContact OE1-CE1 2.75Å; E686-H690 IonicContact OE1-NE2 3.16Å; E686-H690 PolarHBondContact OE1-NE2 3.42Å; E686-L739 HydrophobicContact CG-CD1 3.9Å
687	V	91.1	Very high	91.6	Very high	76 Å²	76	33.5 Å²	33.5	46%	0.461	17%	0.171	S	C	.	.	H	α-helix	trans	-58	-41	173.7	167.1	0	0	0	0	111.2	A683 Y684 H690 I691	A683-V687 VanDerWaalsContact O-CG2 3.3Å; A683-V687 WeakPolarHBondContact O-CG2 3.09Å; A683-V687 PolarHBondContact O-N 2.95Å; Y684-V687 PolarHBondContact O-N 3.04Å; V687-H690 PolarHBondContact O-N 2.92Å; V687-I691 HydrophobicContact CG1-CD1 3.97Å; V687-I691 VanDerWaalsContact O-CG1 3.3Å; V687-I691 WeakPolarHBondContact O-CG1 3.46Å; V687-I691 PolarHBondContact O-N 3.22Å; V687-I691 VanDerWaalsContact O-N 3.08Å
688	F	92.3	Very high	91.2	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-41.1	175.9	-56.9	-22.6	0	0	0	111.9	F649 L659 L663 Y684 L685 E686 I691 I692 L704 W926 L934	F649-F688 HydrophobicContact CD1-CE2 4.27Å; F649-F688 AromaticContact CD1-CZ 3.7Å; F649-F688 HydrophobicContact CD1-CZ 3.7Å; F649-F688 AromaticContact CE1-CE2 3.69Å; F649-F688 HydrophobicContact CE1-CE2 3.69Å; F649-F688 AromaticContact CE1-CZ 3.6Å; F649-F688 HydrophobicContact CE1-CZ 3.6Å; L659-F688 HydrophobicContact CD1-CE2 4.03Å; L659-F688 HydrophobicContact CD1-CZ 3.97Å; L663-F688 HydrophobicContact CD2-CE2 4.25Å; Y684-F688 WeakPolarHBondContact O-CD1 3.32Å; Y684-F688 WeakPolarHBondContact O-CD2 3.26Å; Y684-F688 VanDerWaalsContact O-CG 3.3Å; Y684-F688 WeakPolarHBondContact O-CG 3.44Å; Y684-F688 PolarHBondContact O-N 3.29Å; Y684-F688 VanDerWaalsContact O-N 3.14Å; L685-F688 HydrophobicContact CD2-CD2 4.26Å; L685-F688 PolarHBondContact O-N 3.2Å; E686-F688 VanDerWaalsContact C-N 3.27Å; E686-F688 PolarHBondContact O-N 3.1Å; F688-I691 PolarHBondContact O-N 3.24Å; F688-I692 WeakPolarHBondContact O-CD1 3.23Å; F688-I692 VanDerWaalsContact O-CG1 3.26Å; F688-I692 WeakPolarHBondContact O-CG1 3.45Å; F688-I692 PolarHBondContact O-N 2.8Å; F688-L704 HydrophobicContact CB-CD2 4.03Å; F688-W926 AromaticContact CD1-CH2 3.4Å; F688-W926 HydrophobicContact CD1-CH2 3.4Å; F688-W926 AromaticContact CD1-CZ2 3.57Å; F688-W926 HydrophobicContact CD1-CZ2 3.57Å; F688-W926 HydrophobicContact CD1-CZ3 4.26Å; F688-W926 AromaticContact CE1-CE2 3.96Å; F688-W926 AromaticContact CE1-CH2 3.52Å; F688-W926 HydrophobicContact CE1-CH2 3.52Å; F688-W926 AromaticContact CE1-CZ2 3.12Å; F688-W926 HydrophobicContact CE1-CZ2 3.12Å; F688-W926 HydrophobicContact CE2-CZ2 4.5Å; F688-W926 HydrophobicContact CG-CH2 4.03Å; F688-W926 HydrophobicContact CG-CZ2 4.44Å; F688-W926 HydrophobicContact CZ-CH2 4.19Å; F688-W926 AromaticContact CZ-CZ2 3.66Å; F688-W926 HydrophobicContact CZ-CZ2 3.66Å; F688-L934 HydrophobicContact CB-CD2 4.21Å; F688-L934 HydrophobicContact CG-CD2 4.48Å
689	Y	92.6	Very high	90.9	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.035	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-52	175	175	-92.7	0	0	0	111.1	L685 E686 I691 I692 E693 T701 E705 H742 L743	L685-Y689 PolarHBondContact O-N 3.47Å; E686-Y689 WeakPolarHBondContact O-CB 3.49Å; E686-Y689 PolarHBondContact O-N 3.47Å; E686-Y689 VanDerWaalsContact O-N 3.13Å; Y689-I691 VanDerWaalsContact C-N 3.29Å; Y689-I691 PolarHBondContact O-N 2.95Å; Y689-I692 PolarHBondContact O-N 2.91Å; Y689-E693 HydrophobicContact CE1-CB 4.3Å; Y689-E693 HydrophobicContact CE1-CG 4.4Å; Y689-E693 WeakPolarHBondContact O-CB 3.13Å; Y689-E693 PolarHBondContact O-N 3.33Å; Y689-T701 HydrophobicContact CD2-CG2 4.32Å; Y689-T701 HydrophobicContact CE2-CG2 3.72Å; Y689-E705 HydrophobicContact CE2-CB 4.18Å; Y689-H742 AromaticContact CE1-CD2 3.84Å; Y689-H742 AromaticContact CE1-NE2 3.57Å; Y689-L743 HydrophobicContact CD1-CD2 4.02Å; Y689-L743 HydrophobicContact CD2-CD2 3.78Å; Y689-L743 HydrophobicContact CE1-CD2 3.73Å; Y689-L743 HydrophobicContact CE2-CD2 3.44Å; Y689-L743 VanDerWaalsContact CE2-CD2 3.44Å; Y689-L743 HydrophobicContact CG-CD2 4.04Å; Y689-L743 VanDerWaalsContact CZ-CD2 3.41Å
690	H	88.6	Confident	90.8	Very high	33 Å²	33	41 Å²	41	15%	0.153	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-33.4	179.9	-71.5	-51.9	0	0	0	113.4	E686 V687 K694 H742	E686-H690 WeakPolarHBondContact CG-NE2 3.38Å; E686-H690 PolarHBondContact O-CD2 3.17Å; E686-H690 PolarHBondContact O-N 3.28Å; E686-H690 IonicContact OE1-CD2 2.61Å; E686-H690 IonicContact OE1-CE1 2.75Å; E686-H690 IonicContact OE1-NE2 3.16Å; E686-H690 PolarHBondContact OE1-NE2 3.42Å; V687-H690 PolarHBondContact O-N 2.92Å; H690-K694 WeakPolarHBondContact O-CG 3.23Å; H690-H742 AromaticContact CE1-NE2 3.54Å
691	I	87.9	Confident	90.6	Very high	22 Å²	22	40.6 Å²	40.6	11%	0.113	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-42.6	173.7	-71.8	168.5	0	0	0	110.5	V687 F688 Y689 R695 V927	V687-I691 HydrophobicContact CG1-CD1 3.97Å; V687-I691 VanDerWaalsContact O-CG1 3.3Å; V687-I691 WeakPolarHBondContact O-CG1 3.46Å; V687-I691 PolarHBondContact O-N 3.22Å; V687-I691 VanDerWaalsContact O-N 3.08Å; F688-I691 PolarHBondContact O-N 3.24Å; Y689-I691 VanDerWaalsContact C-N 3.29Å; Y689-I691 PolarHBondContact O-N 2.95Å; I691-R695 WeakPolarHBondContact O-CD 3.46Å; I691-R695 VanDerWaalsContact O-CG 3.27Å; I691-R695 WeakPolarHBondContact O-CG 3.39Å; I691-V927 HydrophobicContact CG2-CG2 3.76Å
692	I	90.1	Very high	90.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-78.2	-38.2	-176.4	-62	162	0	0	0	111.6	F688 Y689 K694 R695 E697 L700 T701 L704 L931 L934	F688-I692 WeakPolarHBondContact O-CD1 3.23Å; F688-I692 VanDerWaalsContact O-CG1 3.26Å; F688-I692 WeakPolarHBondContact O-CG1 3.45Å; F688-I692 PolarHBondContact O-N 2.8Å; Y689-I692 PolarHBondContact O-N 2.91Å; I692-K694 PolarHBondContact O-N 3.24Å; I692-K694 VanDerWaalsContact O-N 3.16Å; I692-R695 WeakPolarHBondContact O-CA 3.37Å; I692-R695 WeakPolarHBondContact O-CB 3.26Å; I692-R695 PolarHBondContact O-N 3.48Å; I692-E697 HydrophobicContact CG2-CB 4.11Å; I692-L700 HydrophobicContact CD1-CD2 3.94Å; I692-L700 HydrophobicContact CD1-CG 4.02Å; I692-L700 HydrophobicContact CG1-CD2 4.24Å; I692-L700 HydrophobicContact CG2-CB 4.09Å; I692-L700 HydrophobicContact CG2-CD2 3.98Å; I692-L700 HydrophobicContact CG2-CG 3.95Å; I692-T701 WeakPolarHBondContact CG2-OG1 3.32Å; I692-L704 HydrophobicContact CD1-CD2 3.66Å; I692-L931 HydrophobicContact CG1-CD1 4.15Å; I692-L934 HydrophobicContact CD1-CD2 3.57Å
693	E	89.4	Confident	90.3	Very high	44 Å²	44	48.2 Å²	48.2	21%	0.206	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-31.9	-179.1	-167.2	-162.4	-167.5	0	0	112.2	Y689 R695 T701 P848	Y689-E693 HydrophobicContact CE1-CB 4.3Å; Y689-E693 HydrophobicContact CE1-CG 4.4Å; Y689-E693 WeakPolarHBondContact O-CB 3.13Å; Y689-E693 PolarHBondContact O-N 3.33Å; E693-R695 PolarHBondContact O-N 2.97Å; E693-T701 HydrophobicContact CB-CG2 4.2Å; E693-T701 HydrophobicContact CG-CG2 4.25Å; E693-P848 HydrophobicContact CG-CB 4.49Å; E693-P848 WeakPolarHBondContact OE2-CB 3.44Å
694	K	84.8	Confident	90.3	Very high	35 Å²	35	46.2 Å²	46.2	15%	0.152	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.2	178	-62.6	-179.7	-171.5	-155.5	0	113.2	H690 I692 A845 R846	H690-K694 WeakPolarHBondContact O-CG 3.23Å; I692-K694 PolarHBondContact O-N 3.24Å; I692-K694 VanDerWaalsContact O-N 3.16Å; K694-A845 PolarHBondContact NZ-O 3.08Å; K694-R846 PolarHBondContact NZ-O 3.13Å
695	R	82.7	Confident	90.3	Very high	46 Å²	46	47.1 Å²	47.1	17%	0.174	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	151.6	174.7	-55.7	177.5	73.9	73.5	9.6	108.2	I691 I692 E693 E697 S888 F889	I691-R695 WeakPolarHBondContact O-CD 3.46Å; I691-R695 VanDerWaalsContact O-CG 3.27Å; I691-R695 WeakPolarHBondContact O-CG 3.39Å; I692-R695 WeakPolarHBondContact O-CA 3.37Å; I692-R695 WeakPolarHBondContact O-CB 3.26Å; I692-R695 PolarHBondContact O-N 3.48Å; E693-R695 PolarHBondContact O-N 2.97Å; R695-E697 HydrophobicContact CB-CB 4.39Å; R695-E697 HydrophobicContact CB-CG 4.1Å; R695-E697 PolarHBondContact O-N 2.94Å; R695-S888 PolarHBondContact NH1-OG 2.97Å; R695-F889 HydrophobicContact CB-CZ 4.45Å; R695-F889 HydrophobicContact CG-CE2 4.34Å; R695-F889 HydrophobicContact CG-CZ 3.97Å
696	D	78.8	Confident	90.3	Very high	158 Å²	158	51.9 Å²	51.9	85%	0.845	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	53	176.5	-163.5	25.7	0	0	0	111.3	P698	D696-P698 WeakPolarHBondContact O-CD 3.38Å
697	E	87.3	Confident	90.4	Very high	84 Å²	84	49.9 Å²	49.9	39%	0.393	25%	0.252	S	S	.	.			trans	-121.4	56.5	-174.4	-70.3	-71	-179.8	0	0	111.3	I692 R695 T699 L700 T701	I692-E697 HydrophobicContact CG2-CB 4.11Å; R695-E697 HydrophobicContact CB-CB 4.39Å; R695-E697 HydrophobicContact CB-CG 4.1Å; R695-E697 PolarHBondContact O-N 2.94Å; E697-T699 VanDerWaalsContact C-N 3.26Å; E697-T699 PolarHBondContact O-N 3.45Å; E697-T699 VanDerWaalsContact O-N 3.13Å; E697-L700 HydrophobicContact CB-CB 4.25Å; E697-L700 PolarHBondContact O-N 3Å; E697-T701 PolarHBondContact O-N 2.6Å; E697-T701 PolarHBondContact O-OG1 3.19Å; E697-T701 VanDerWaalsContact O-OG1 3.08Å
698	P	89.1	Confident	90.7	Very high	76 Å²	76	46.3 Å²	46.3	49%	0.494	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-31.4	-167.2	24.8	-35.6	0	0	0	113.7	D696 K702	D696-P698 WeakPolarHBondContact O-CD 3.38Å; P698-K702 WeakPolarHBondContact O-CB 3.29Å; P698-K702 VanDerWaalsContact O-CG 3.28Å; P698-K702 WeakPolarHBondContact O-CG 3.4Å; P698-K702 PolarHBondContact O-N 3.06Å; P698-K702 VanDerWaalsContact O-N 3.12Å
699	T	91	Very high	90.9	Very high	98 Å²	98	47 Å²	47	60%	0.601	24%	0.235	S	C	*	.	H	α-helix	trans	-68.3	-44.7	177.2	-55.1	0	0	0	0	111.2	E697 K702 N703	E697-T699 VanDerWaalsContact C-N 3.26Å; E697-T699 PolarHBondContact O-N 3.45Å; E697-T699 VanDerWaalsContact O-N 3.13Å; T699-K702 PolarHBondContact O-N 3.47Å; T699-N703 WeakPolarHBondContact O-CB 3.28Å; T699-N703 PolarHBondContact O-N 3.42Å; T699-N703 PolarHBondContact O-OD1 3.1Å
700	L	92.6	Very high	91	Very high	10 Å²	10	52 Å²	52	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-68.3	-41.1	-179.8	-175.5	61	0	0	0	111	I692 E697 K702 N703 L704 L931 L938	I692-L700 HydrophobicContact CD1-CD2 3.94Å; I692-L700 HydrophobicContact CD1-CG 4.02Å; I692-L700 HydrophobicContact CG1-CD2 4.24Å; I692-L700 HydrophobicContact CG2-CB 4.09Å; I692-L700 HydrophobicContact CG2-CD2 3.98Å; I692-L700 HydrophobicContact CG2-CG 3.95Å; E697-L700 HydrophobicContact CB-CB 4.25Å; E697-L700 PolarHBondContact O-N 3Å; L700-K702 PolarHBondContact O-N 3.34Å; L700-N703 PolarHBondContact O-N 2.92Å; L700-L704 WeakPolarHBondContact O-CB 3.34Å; L700-L704 PolarHBondContact O-N 3.45Å; L700-L931 HydrophobicContact CD2-CD1 3.57Å; L700-L931 HydrophobicContact CD2-CG 4.29Å; L700-L938 HydrophobicContact CD1-CD1 3.67Å
701	T	92.8	Very high	91.3	Very high	15 Å²	15	51.4 Å²	51.4	9%	0.092	26%	0.255	C	S	.	.	H	α-helix	trans	-55.7	-51.3	173.9	-50.4	0	0	0	0	111	Y689 I692 E693 E697 N703 L704 E705	Y689-T701 HydrophobicContact CD2-CG2 4.32Å; Y689-T701 HydrophobicContact CE2-CG2 3.72Å; I692-T701 WeakPolarHBondContact CG2-OG1 3.32Å; E693-T701 HydrophobicContact CB-CG2 4.2Å; E693-T701 HydrophobicContact CG-CG2 4.25Å; E697-T701 PolarHBondContact O-N 2.6Å; E697-T701 PolarHBondContact O-OG1 3.19Å; E697-T701 VanDerWaalsContact O-OG1 3.08Å; T701-N703 PolarHBondContact O-N 3.45Å; T701-L704 PolarHBondContact O-N 3.44Å; T701-E705 WeakPolarHBondContact O-CB 3.5Å; T701-E705 PolarHBondContact O-N 3.22Å
702	K	92.9	Very high	91.7	Very high	140 Å²	140	50.7 Å²	50.7	61%	0.609	25%	0.251	S	S	*	.	H	α-helix	trans	-64	-38.1	179.2	-75.1	179.9	178.5	-174.3	0	113.1	P698 T699 L700 K706	P698-K702 WeakPolarHBondContact O-CB 3.29Å; P698-K702 VanDerWaalsContact O-CG 3.28Å; P698-K702 WeakPolarHBondContact O-CG 3.4Å; P698-K702 PolarHBondContact O-N 3.06Å; P698-K702 VanDerWaalsContact O-N 3.12Å; T699-K702 PolarHBondContact O-N 3.47Å; L700-K702 PolarHBondContact O-N 3.34Å; K702-K706 VanDerWaalsContact O-CB 3.32Å; K702-K706 WeakPolarHBondContact O-CB 3.4Å; K702-K706 PolarHBondContact O-N 3.04Å
703	N	94.2	Very high	92	Very high	30 Å²	30	57.2 Å²	57.2	16%	0.16	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-43.6	176.9	-76.8	-2.3	0	0	0	111.3	T699 L700 T701 Y707 M942	T699-N703 WeakPolarHBondContact O-CB 3.28Å; T699-N703 PolarHBondContact O-N 3.42Å; T699-N703 PolarHBondContact O-OD1 3.1Å; L700-N703 PolarHBondContact O-N 2.92Å; T701-N703 PolarHBondContact O-N 3.45Å; N703-Y707 WeakPolarHBondContact O-CB 3.43Å; N703-Y707 PolarHBondContact O-N 2.75Å; N703-M942 HydrophobicContact CB-CE 4.32Å; N703-M942 HydrophobicContact CB-SD 3.47Å; N703-M942 WeakPolarHBondContact CB-SD 3.49Å; N703-M942 WeakPolarHBondContact OD1-CE 3.41Å
704	L	94.8	Very high	92.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-42.9	177.6	-178.1	56.4	0	0	0	112.1	F688 I692 L700 T701 K706 Y707 I708 L938	F688-L704 HydrophobicContact CB-CD2 4.03Å; I692-L704 HydrophobicContact CD1-CD2 3.66Å; L700-L704 WeakPolarHBondContact O-CB 3.34Å; L700-L704 PolarHBondContact O-N 3.45Å; T701-L704 PolarHBondContact O-N 3.44Å; L704-K706 PolarHBondContact O-N 2.94Å; L704-Y707 HydrophobicContact CD1-CD1 4.46Å; L704-Y707 PolarHBondContact O-N 3.29Å; L704-I708 HydrophobicContact CD1-CD1 4Å; L704-I708 HydrophobicContact CD1-CG1 4.1Å; L704-I708 HydrophobicContact CG-CD1 3.94Å; L704-I708 HydrophobicContact CG-CG1 4.47Å; L704-I708 WeakPolarHBondContact O-CG1 3.49Å; L704-I708 PolarHBondContact O-N 3.18Å; L704-L938 HydrophobicContact CB-CD1 3.98Å; L704-L938 HydrophobicContact CD1-CD1 4.22Å; L704-L938 HydrophobicContact CD1-CD2 4.11Å
705	E	95	Very high	92.8	Very high	47 Å²	47	57.8 Å²	57.8	22%	0.22	29%	0.292	C	S	.	.	H	α-helix	trans	-53.2	-53.6	172.3	-179.1	-164.9	123.3	0	0	110.9	Y689 T701 Y707 I708 L709 L743	Y689-E705 HydrophobicContact CE2-CB 4.18Å; T701-E705 WeakPolarHBondContact O-CB 3.5Å; T701-E705 PolarHBondContact O-N 3.22Å; E705-Y707 VanDerWaalsContact C-N 3.32Å; E705-Y707 PolarHBondContact O-N 2.83Å; E705-I708 PolarHBondContact O-N 2.95Å; E705-L709 HydrophobicContact CG-CD1 4.16Å; E705-L709 WeakPolarHBondContact O-CB 3.26Å; E705-L709 WeakPolarHBondContact O-CG 3.44Å; E705-L709 PolarHBondContact O-N 3.08Å; E705-L743 HydrophobicContact CG-CB 3.99Å; E705-L743 HydrophobicContact CG-CD2 4.18Å
706	K	95.3	Very high	93.5	Very high	100 Å²	100	56.2 Å²	56.2	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-42.7	178.6	-177.2	176.9	171.9	-170.9	0	111.6	K702 L704 Q710 M942	K702-K706 VanDerWaalsContact O-CB 3.32Å; K702-K706 WeakPolarHBondContact O-CB 3.4Å; K702-K706 PolarHBondContact O-N 3.04Å; L704-K706 PolarHBondContact O-N 2.94Å; K706-Q710 HydrophobicContact CG-CG 4.31Å; K706-Q710 VanDerWaalsContact O-CB 3.26Å; K706-Q710 WeakPolarHBondContact O-CB 3.43Å; K706-Q710 WeakPolarHBondContact O-CG 3.23Å; K706-Q710 PolarHBondContact O-N 3.31Å; K706-M942 HydrophobicContact CD-CE 4.02Å
707	Y	95.9	Very high	94.3	Very high	16 Å²	16	52.1 Å²	52.1	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-50.8	177	174.4	-94.7	0	0	0	111.6	L685 N703 L704 E705 L709 Q710 F711 W937 L938 Q941	L685-Y707 HydrophobicContact CD1-CE1 4.28Å; N703-Y707 WeakPolarHBondContact O-CB 3.43Å; N703-Y707 PolarHBondContact O-N 2.75Å; L704-Y707 HydrophobicContact CD1-CD1 4.46Å; L704-Y707 PolarHBondContact O-N 3.29Å; E705-Y707 VanDerWaalsContact C-N 3.32Å; E705-Y707 PolarHBondContact O-N 2.83Å; Y707-L709 PolarHBondContact O-N 3.05Å; Y707-Q710 PolarHBondContact O-N 3.38Å; Y707-F711 HydrophobicContact CE1-CB 4.24Å; Y707-F711 HydrophobicContact CE1-CD2 4.43Å; Y707-F711 HydrophobicContact CE1-CG 4.35Å; Y707-F711 HydrophobicContact CE2-CB 4.47Å; Y707-F711 HydrophobicContact CE2-CD2 4.17Å; Y707-F711 AromaticContact CZ-CD2 3.67Å; Y707-F711 WeakPolarHBondContact O-CB 3.45Å; Y707-F711 PolarHBondContact O-N 3.22Å; Y707-F711 WeakPolarHBondContact OH-CD2 3.47Å; Y707-F711 VanDerWaalsContact OH-CE2 3.32Å; Y707-F711 WeakPolarHBondContact OH-CE2 3.4Å; Y707-W937 HydrophobicContact CD1-CZ3 4.37Å; Y707-W937 HydrophobicContact CD2-CZ3 4.45Å; Y707-W937 AromaticContact CE1-CH2 3.84Å; Y707-W937 HydrophobicContact CE1-CH2 3.84Å; Y707-W937 AromaticContact CE1-CZ3 4Å; Y707-W937 HydrophobicContact CE1-CZ3 4Å; Y707-W937 AromaticContact CE2-CH2 3.8Å; Y707-W937 HydrophobicContact CE2-CH2 3.8Å; Y707-W937 HydrophobicContact CE2-CZ3 4.07Å; Y707-W937 AromaticContact CZ-CH2 3.38Å; Y707-W937 AromaticContact CZ-CZ3 3.86Å; Y707-W937 WeakPolarHBondContact OH-CH2 3.44Å; Y707-L938 HydrophobicContact CD1-CD2 4.17Å; Y707-L938 HydrophobicContact CD2-CD2 4.33Å; Y707-L938 HydrophobicContact CG-CD2 3.8Å; Y707-Q941 HydrophobicContact CD2-CB 4.06Å; Y707-Q941 HydrophobicContact CE2-CB 4.01Å; Y707-Q941 HydrophobicContact CE2-CG 4.08Å
708	I	96.2	Very high	94.7	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-49.6	-179.7	-67.6	168.1	0	0	0	110.3	L682 L685 L704 E705 Q710 F711 F712 L739 L743	L682-I708 HydrophobicContact CD1-CG2 4.01Å; L685-I708 HydrophobicContact CB-CD1 4.03Å; L685-I708 HydrophobicContact CB-CG1 4.13Å; L685-I708 HydrophobicContact CD1-CG1 4.47Å; L704-I708 HydrophobicContact CD1-CD1 4Å; L704-I708 HydrophobicContact CD1-CG1 4.1Å; L704-I708 HydrophobicContact CG-CD1 3.94Å; L704-I708 HydrophobicContact CG-CG1 4.47Å; L704-I708 WeakPolarHBondContact O-CG1 3.49Å; L704-I708 PolarHBondContact O-N 3.18Å; E705-I708 PolarHBondContact O-N 2.95Å; I708-Q710 VanDerWaalsContact C-N 3.33Å; I708-Q710 PolarHBondContact O-N 2.82Å; I708-F711 PolarHBondContact O-N 2.88Å; I708-F712 HydrophobicContact CG2-CD2 4.2Å; I708-F712 PolarHBondContact O-N 3.49Å; I708-L739 HydrophobicContact CG2-CD2 4.21Å; I708-L743 HydrophobicContact CB-CD1 4.1Å; I708-L743 HydrophobicContact CG2-CD1 3.69Å
709	L	96.6	Very high	95.1	Very high	22 Å²	22	52.6 Å²	52.6	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-39.8	179.6	-70.6	178.3	0	0	0	112.3	E705 Y707 R713 I716 L743 Y745	E705-L709 HydrophobicContact CG-CD1 4.16Å; E705-L709 WeakPolarHBondContact O-CB 3.26Å; E705-L709 WeakPolarHBondContact O-CG 3.44Å; E705-L709 PolarHBondContact O-N 3.08Å; Y707-L709 PolarHBondContact O-N 3.05Å; L709-R713 VanDerWaalsContact O-CA 3.31Å; L709-R713 WeakPolarHBondContact O-CA 3.33Å; L709-R713 VanDerWaalsContact O-CB 3.25Å; L709-R713 WeakPolarHBondContact O-CB 3.32Å; L709-R713 PolarHBondContact O-N 3.19Å; L709-R713 VanDerWaalsContact O-N 3.11Å; L709-I716 HydrophobicContact CD2-CD1 4.18Å; L709-L743 HydrophobicContact CD1-CB 4.26Å; L709-L743 HydrophobicContact CD2-CB 4.02Å; L709-L743 HydrophobicContact CD2-CD1 4.1Å; L709-L743 HydrophobicContact CG-CB 4.2Å; L709-L743 HydrophobicContact CG-CD1 4.2Å; L709-Y745 HydrophobicContact CD1-CD2 4.29Å; L709-Y745 HydrophobicContact CD2-CD2 4.33Å; L709-Y745 HydrophobicContact CD2-CG 4.19Å
710	Q	95.6	Very high	95.4	Very high	112 Å²	112	50.8 Å²	50.8	52%	0.523	25%	0.249	S	C	.	.	H	α-helix	trans	-71.4	-44.9	177.8	-74.4	179.6	-20.7	0	0	112.2	K706 Y707 I708 R713	K706-Q710 HydrophobicContact CG-CG 4.31Å; K706-Q710 VanDerWaalsContact O-CB 3.26Å; K706-Q710 WeakPolarHBondContact O-CB 3.43Å; K706-Q710 WeakPolarHBondContact O-CG 3.23Å; K706-Q710 PolarHBondContact O-N 3.31Å; Y707-Q710 PolarHBondContact O-N 3.38Å; I708-Q710 VanDerWaalsContact C-N 3.33Å; I708-Q710 PolarHBondContact O-N 2.82Å; Q710-R713 WeakPolarHBondContact O-CB 3.35Å; Q710-R713 PolarHBondContact O-N 3.47Å
711	F	95.6	Very high	95.6	Very high	21 Å²	21	51.8 Å²	51.8	9%	0.092	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-41.1	-176.2	-173.1	-87.3	0	0	0	112	L669 Q670 Y707 I708	L669-F711 HydrophobicContact CB-CE1 3.81Å; L669-F711 HydrophobicContact CB-CZ 4.09Å; Q670-F711 HydrophobicContact CG-CD1 4.48Å; Q670-F711 HydrophobicContact CG-CD2 3.97Å; Q670-F711 HydrophobicContact CG-CE1 4.1Å; Q670-F711 HydrophobicContact CG-CE2 3.52Å; Q670-F711 HydrophobicContact CG-CG 4.43Å; Q670-F711 HydrophobicContact CG-CZ 3.6Å; Q670-F711 VanDerWaalsContact NE2-CD2 3.25Å; Y707-F711 HydrophobicContact CE1-CB 4.24Å; Y707-F711 HydrophobicContact CE1-CD2 4.43Å; Y707-F711 HydrophobicContact CE1-CG 4.35Å; Y707-F711 HydrophobicContact CE2-CB 4.47Å; Y707-F711 HydrophobicContact CE2-CD2 4.17Å; Y707-F711 AromaticContact CZ-CD2 3.67Å; Y707-F711 WeakPolarHBondContact O-CB 3.45Å; Y707-F711 PolarHBondContact O-N 3.22Å; Y707-F711 WeakPolarHBondContact OH-CD2 3.47Å; Y707-F711 VanDerWaalsContact OH-CE2 3.32Å; Y707-F711 WeakPolarHBondContact OH-CE2 3.4Å; I708-F711 PolarHBondContact O-N 2.88Å
712	F	95.8	Very high	95.8	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.031	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7.5	178.5	-68.1	-78.7	0	0	0	114	L669 L678 L682 L685 I708 A714 V715 I716	L669-F712 HydrophobicContact CD1-CZ 4.27Å; L678-F712 HydrophobicContact CD2-CE1 4.16Å; L682-F712 HydrophobicContact CB-CZ 4.26Å; L682-F712 HydrophobicContact CD1-CD2 3.6Å; L682-F712 HydrophobicContact CD1-CE2 3.53Å; L682-F712 HydrophobicContact CD1-CG 4.16Å; L682-F712 HydrophobicContact CD1-CZ 4.02Å; L685-F712 HydrophobicContact CD1-CE2 3.78Å; L685-F712 HydrophobicContact CD1-CZ 4.39Å; I708-F712 HydrophobicContact CG2-CD2 4.2Å; I708-F712 PolarHBondContact O-N 3.49Å; F712-A714 VanDerWaalsContact C-N 3.29Å; F712-A714 PolarHBondContact O-N 2.97Å; F712-V715 WeakPolarHBondContact O-CA 3.49Å; F712-V715 WeakPolarHBondContact O-CB 3.47Å; F712-V715 PolarHBondContact O-N 3.48Å; F712-I716 HydrophobicContact CB-CD1 4Å; F712-I716 HydrophobicContact CB-CG1 4.33Å; F712-I716 WeakPolarHBondContact O-CG1 3.08Å; F712-I716 PolarHBondContact O-N 3.43Å
713	R	95.5	Very high	96	Very high	139 Å²	139	48.5 Å²	48.5	53%	0.525	24%	0.243	S	C	.	.	H	α-helix	trans	-51.3	-46.4	-174.9	-173.4	172.7	178	173.9	2.8	113.2	L709 Q710 V715 I716 D717	L709-R713 VanDerWaalsContact O-CA 3.31Å; L709-R713 WeakPolarHBondContact O-CA 3.33Å; L709-R713 VanDerWaalsContact O-CB 3.25Å; L709-R713 WeakPolarHBondContact O-CB 3.32Å; L709-R713 PolarHBondContact O-N 3.19Å; L709-R713 VanDerWaalsContact O-N 3.11Å; Q710-R713 WeakPolarHBondContact O-CB 3.35Å; Q710-R713 PolarHBondContact O-N 3.47Å; R713-V715 VanDerWaalsContact C-N 3.26Å; R713-V715 PolarHBondContact O-N 2.98Å; R713-I716 PolarHBondContact O-N 3.38Å; R713-D717 WeakPolarHBondContact CG-OD2 3.42Å; R713-D717 IonicContact CZ-OD2 2.73Å; R713-D717 IonicContact NE-OD2 2.63Å; R713-D717 PolarHBondContact NE-OD2 3.42Å; R713-D717 WeakPolarHBondContact O-CB 3.38Å; R713-D717 PolarHBondContact O-N 2.8Å
714	A	95.3	Very high	96.1	Very high	64 Å²	64	50.1 Å²	50.1	53%	0.529	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-36.9	-178.9	0	0	0	0	0	112.1	F712 Q718	F712-A714 VanDerWaalsContact C-N 3.29Å; F712-A714 PolarHBondContact O-N 2.97Å; A714-Q718 WeakPolarHBondContact O-CG 3.29Å; A714-Q718 PolarHBondContact O-NE2 3.16Å
715	V	96	Very high	96.1	Very high	27 Å²	27	52.6 Å²	52.6	16%	0.164	28%	0.283	C	S	.	.	H	α-helix	trans	-72.8	-45.1	176.5	-179.5	0	0	0	0	110.2	F712 R713 Q718 Q719 L732 V736	F712-V715 WeakPolarHBondContact O-CA 3.49Å; F712-V715 WeakPolarHBondContact O-CB 3.47Å; F712-V715 PolarHBondContact O-N 3.48Å; R713-V715 VanDerWaalsContact C-N 3.26Å; R713-V715 PolarHBondContact O-N 2.98Å; V715-Q718 PolarHBondContact O-N 3.49Å; V715-Q719 WeakPolarHBondContact O-CG 3.41Å; V715-Q719 PolarHBondContact O-NE2 3.36Å; V715-L732 HydrophobicContact CG1-CD1 4.41Å; V715-L732 HydrophobicContact CG1-CD2 4.21Å; V715-V736 HydrophobicContact CG1-CG2 4.47Å
716	I	96.6	Very high	96.1	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.062	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-51.5	179	-65.7	160.7	0	0	0	111	L709 F712 R713 Q718 Q719 V736 A740 Y745	L709-I716 HydrophobicContact CD2-CD1 4.18Å; F712-I716 HydrophobicContact CB-CD1 4Å; F712-I716 HydrophobicContact CB-CG1 4.33Å; F712-I716 WeakPolarHBondContact O-CG1 3.08Å; F712-I716 PolarHBondContact O-N 3.43Å; R713-I716 PolarHBondContact O-N 3.38Å; I716-Q718 PolarHBondContact O-N 2.94Å; I716-Q719 WeakPolarHBondContact O-CB 3.48Å; I716-Q719 WeakPolarHBondContact O-CG 3.29Å; I716-Q719 PolarHBondContact O-N 2.92Å; I716-V736 HydrophobicContact CB-CG1 4.09Å; I716-V736 HydrophobicContact CG1-CG1 3.36Å; I716-A740 HydrophobicContact CD1-CB 4.43Å; I716-A740 HydrophobicContact CG1-CB 4.48Å; I716-A740 HydrophobicContact CG2-CB 3.87Å; I716-Y745 HydrophobicContact CG2-CD1 4.01Å; I716-Y745 HydrophobicContact CG2-CE1 3.96Å
717	D	96.4	Very high	96	Very high	72 Å²	72	49.4 Å²	49.4	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-67.6	-22	-173.3	-72	-8.8	0	0	0	112.5	R713 Q719 Y745	R713-D717 WeakPolarHBondContact CG-OD2 3.42Å; R713-D717 IonicContact CZ-OD2 2.73Å; R713-D717 IonicContact NE-OD2 2.63Å; R713-D717 PolarHBondContact NE-OD2 3.42Å; R713-D717 WeakPolarHBondContact O-CB 3.38Å; R713-D717 PolarHBondContact O-N 2.8Å; D717-Q719 VanDerWaalsContact C-N 3.34Å; D717-Y745 PolarHBondContact OD1-OH 3.11Å
718	Q	95.9	Very high	95.8	Very high	150 Å²	150	49.2 Å²	49.2	70%	0.701	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.5	175.2	-74.4	171.8	24.9	0	0	113.5	A714 V715 I716 T720	A714-Q718 WeakPolarHBondContact O-CG 3.29Å; A714-Q718 PolarHBondContact O-NE2 3.16Å; V715-Q718 PolarHBondContact O-N 3.49Å; I716-Q718 PolarHBondContact O-N 2.94Å; Q718-T720 PolarHBondContact O-N 3.2Å
719	Q	97.4	Very high	95.8	Very high	20 Å²	20	53.5 Å²	53.5	9%	0.093	30%	0.296	C	S	.	.			trans	-70.3	128.2	-176	-58.9	-47.6	-50	0	0	111.9	V715 I716 D717 V736 L737	V715-Q719 WeakPolarHBondContact O-CG 3.41Å; V715-Q719 PolarHBondContact O-NE2 3.36Å; I716-Q719 WeakPolarHBondContact O-CB 3.48Å; I716-Q719 WeakPolarHBondContact O-CG 3.29Å; I716-Q719 PolarHBondContact O-N 2.92Å; D717-Q719 VanDerWaalsContact C-N 3.34Å; Q719-V736 HydrophobicContact CG-CG1 4.28Å; Q719-L737 HydrophobicContact CB-CD1 4.14Å; Q719-L737 HydrophobicContact CB-CD2 3.87Å; Q719-L737 HydrophobicContact CB-CG 3.94Å; Q719-L737 HydrophobicContact CG-CD2 4.46Å; Q719-L737 HydrophobicContact CG-CG 4.38Å
720	T	96.9	Very high	95.8	Very high	61 Å²	61	54 Å²	54	37%	0.374	30%	0.296	S	S	.	.			trans	-82.9	152.1	171.3	67.2	0	0	0	0	110.8	Q718 S722 R733	Q718-T720 PolarHBondContact O-N 3.2Å; T720-S722 VanDerWaalsContact C-N 3.34Å; T720-S722 PolarHBondContact O-N 2.88Å; T720-S722 PolarHBondContact OG1-OG 2.9Å; T720-R733 WeakPolarHBondContact O-CD 3.49Å; T720-R733 WeakPolarHBondContact O-CG 2.81Å; T720-R733 PolarHBondContact O-NE 2.81Å; T720-R733 VanDerWaalsContact O-NE 3.12Å; T720-R733 PolarHBondContact OG1-NE 3.45Å; T720-R733 PolarHBondContact OG1-NH2 2.74Å
721	W	97.4	Very high	95.7	Very high	31 Å²	31	50.6 Å²	50.6	12%	0.117	28%	0.279	C	S	.	.	S	Bend	trans	-93.9	68	171.9	-68.4	61.4	0	0	0	109.2	L737 C748 R751 A752 H755 V772 V776	W721-L737 HydrophobicContact CD2-CD1 4.36Å; W721-L737 HydrophobicContact CZ2-CD1 4.38Å; W721-L737 HydrophobicContact CZ2-CD2 4.1Å; W721-C748 WeakPolarHBondContact CH2-O 3.01Å; W721-R751 HydrophobicContact CD2-CB 4.02Å; W721-R751 HydrophobicContact CE3-CB 4.42Å; W721-R751 HydrophobicContact CH2-CB 4.11Å; W721-R751 HydrophobicContact CZ2-CB 3.64Å; W721-R751 HydrophobicContact CZ3-CB 4.46Å; W721-R751 VanDerWaalsContact NE1-CD 3.26Å; W721-A752 HydrophobicContact CH2-CB 3.68Å; W721-A752 HydrophobicContact CZ3-CB 3.91Å; W721-H755 AromaticContact CE3-CD2 3.51Å; W721-H755 AromaticContact CE3-NE2 3.96Å; W721-V772 HydrophobicContact CE3-CB 4.18Å; W721-V772 HydrophobicContact CE3-CG1 4.47Å; W721-V772 HydrophobicContact CE3-CG2 4.08Å; W721-V772 HydrophobicContact CZ3-CB 4.46Å; W721-V776 HydrophobicContact CE3-CG2 4.25Å; W721-V776 HydrophobicContact CZ3-CG2 3.78Å
722	S	96.8	Very high	95.7	Very high	32 Å²	32	50.4 Å²	50.4	22%	0.224	28%	0.278	C	S	.	.	S	Bend	trans	-151.8	175	-173.5	77.6	0	0	0	0	111.4	T720 S724 R733	T720-S722 VanDerWaalsContact C-N 3.34Å; T720-S722 PolarHBondContact O-N 2.88Å; T720-S722 PolarHBondContact OG1-OG 2.9Å; S722-S724 PolarHBondContact OG-N 3.48Å; S722-S724 PolarHBondContact OG-OG 2.83Å; S722-R733 WeakPolarHBondContact O-CD 3.06Å; S722-R733 VanDerWaalsContact O-CZ 3.3Å; S722-R733 PolarHBondContact O-NE 3.39Å; S722-R733 PolarHBondContact O-NH1 3.48Å
723	D	97	Very high	95.8	Very high	53 Å²	53	50.6 Å²	50.6	28%	0.283	28%	0.279	S	S	.	.	S	Bend	trans	-101.4	18.9	173.6	-70.4	-15.2	0	0	0	112.8	R730 P769 T770 D771	D723-R730 WeakPolarHBondContact O-CD 2.97Å; D723-R730 PolarHBondContact O-NE 2.88Å; D723-R730 IonicContact OD1-NH2 2.77Å; D723-R730 IonicContact OD2-NH2 3.21Å; D723-P769 VanDerWaalsContact OD1-C 3.3Å; D723-P769 WeakPolarHBondContact OD1-CB 3.34Å; D723-T770 VanDerWaalsContact CG-N 3.25Å; D723-T770 PolarHBondContact OD1-N 2.86Å; D723-T770 PolarHBondContact OD1-OG1 3.44Å; D723-T770 PolarHBondContact OD2-N 3.12Å; D723-T770 PolarHBondContact OD2-OG1 3.02Å; D723-D771 WeakPolarHBondContact OD1-CB 3.42Å; D723-D771 PolarHBondContact OD1-N 2.68Å
724	S	96.2	Very high	95.8	Very high	64 Å²	64	45.6 Å²	45.6	45%	0.448	27%	0.265	S	S	.	.			trans	-77.7	163.2	-177.5	65.2	0	0	0	0	112.9	S722 R730 R733	S722-S724 PolarHBondContact OG-N 3.48Å; S722-S724 PolarHBondContact OG-OG 2.83Å; S724-R730 WeakPolarHBondContact O-CG 2.69Å; S724-R733 VanDerWaalsContact O-CZ 3.28Å; S724-R733 PolarHBondContact O-NH1 2.97Å; S724-R733 PolarHBondContact O-NH2 3.5Å
725	G	95.3	Very high	95.8	Very high	53 Å²	53	46.9 Å²	46.9	55%	0.546	26%	0.26	S	S	.	.	S	Bend	trans	91.6	-177.6	175.7	0	0	0	0	0	114.5	E729	G725-E729 WeakPolarHBondContact CA-OE2 3.49Å
726	T	94.5	Very high	95.9	Very high	72 Å²	72	45.9 Å²	45.9	44%	0.442	25%	0.254	S	S	.	.			trans	-70.3	165	177.2	62.3	0	0	0	0	111.9	S728 E729 R730	T726-S728 VanDerWaalsContact C-N 3.29Å; T726-S728 PolarHBondContact O-N 2.91Å; T726-E729 WeakPolarHBondContact CB-OE2 3.23Å; T726-E729 PolarHBondContact N-OE2 3.46Å; T726-E729 PolarHBondContact O-N 3.45Å; T726-E729 VanDerWaalsContact O-N 3.15Å; T726-E729 VanDerWaalsContact OG1-CD 3.28Å; T726-E729 VanDerWaalsContact OG1-CG 3.25Å; T726-E729 WeakPolarHBondContact OG1-CG 3.11Å; T726-E729 PolarHBondContact OG1-N 2.81Å; T726-E729 PolarHBondContact OG1-OE2 3.15Å; T726-R730 WeakPolarHBondContact O-CB 3.29Å; T726-R730 VanDerWaalsContact O-CG 3.31Å; T726-R730 WeakPolarHBondContact O-CG 3.35Å; T726-R730 PolarHBondContact O-N 2.88Å
727	V	93.7	Very high	95.9	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-55.2	-45.2	176.8	170.5	0	0	0	0	111.7	I340 I392 L393 E729 R730 R731	I340-V727 HydrophobicContact CD1-CG2 3.69Å; I340-V727 HydrophobicContact CG1-CB 4.06Å; I340-V727 HydrophobicContact CG1-CG1 3.97Å; I340-V727 HydrophobicContact CG1-CG2 3.49Å; I340-V727 VanDerWaalsContact CG1-CG2 3.49Å; I392-V727 WeakPolarHBondContact O-CG2 3.29Å; L393-V727 HydrophobicContact CD2-CG2 4.08Å; V727-E729 PolarHBondContact O-N 2.99Å; V727-R730 PolarHBondContact O-N 3.03Å; V727-R731 WeakPolarHBondContact O-CB 2.83Å; V727-R731 PolarHBondContact O-N 2.91Å
728	S	91.9	Very high	95.9	Very high	12 Å²	12	44.4 Å²	44.4	8%	0.084	25%	0.25	C	S	.	.	H	α-helix	trans	-66.7	-34.4	179.4	-42.5	0	0	0	0	112.5	E397 T675 T726 L732	E397-S728 VanDerWaalsContact CD-OG 3.27Å; E397-S728 PolarHBondContact OE1-OG 3.18Å; E397-S728 PolarHBondContact OE2-OG 2.88Å; T675-S728 VanDerWaalsContact CG2-O 3.32Å; T675-S728 WeakPolarHBondContact CG2-O 3.27Å; T675-S728 PolarHBondContact OG1-O 3.01Å; T675-S728 VanDerWaalsContact OG1-O 3.04Å; T726-S728 VanDerWaalsContact C-N 3.29Å; T726-S728 PolarHBondContact O-N 2.91Å; S728-L732 WeakPolarHBondContact O-CB 3.39Å; S728-L732 PolarHBondContact O-N 3.39Å
729	E	95.1	Very high	95.9	Very high	93 Å²	93	37.8 Å²	37.8	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-71.4	-41.6	174.9	-72.4	165	148.1	0	0	112.1	G725 T726 V727 L732 R733	G725-E729 WeakPolarHBondContact CA-OE2 3.49Å; T726-E729 WeakPolarHBondContact CB-OE2 3.23Å; T726-E729 PolarHBondContact N-OE2 3.46Å; T726-E729 PolarHBondContact O-N 3.45Å; T726-E729 VanDerWaalsContact O-N 3.15Å; T726-E729 VanDerWaalsContact OG1-CD 3.28Å; T726-E729 VanDerWaalsContact OG1-CG 3.25Å; T726-E729 WeakPolarHBondContact OG1-CG 3.11Å; T726-E729 PolarHBondContact OG1-N 2.81Å; T726-E729 PolarHBondContact OG1-OE2 3.15Å; V727-E729 PolarHBondContact O-N 2.99Å; E729-L732 PolarHBondContact O-N 3.02Å; E729-R733 WeakPolarHBondContact O-CB 3.36Å; E729-R733 PolarHBondContact O-N 3.45Å
730	R	96.8	Very high	95.9	Very high	33 Å²	33	36.9 Å²	36.9	13%	0.125	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-42.2	175.4	-71	-172	66.8	175.2	-2.4	111.9	I340 D723 S724 T726 V727 R733 S734 T770 D771	I340-R730 HydrophobicContact CB-CB 4.4Å; I340-R730 HydrophobicContact CG2-CB 3.6Å; D723-R730 WeakPolarHBondContact O-CD 2.97Å; D723-R730 PolarHBondContact O-NE 2.88Å; D723-R730 IonicContact OD1-NH2 2.77Å; D723-R730 IonicContact OD2-NH2 3.21Å; S724-R730 WeakPolarHBondContact O-CG 2.69Å; T726-R730 WeakPolarHBondContact O-CB 3.29Å; T726-R730 VanDerWaalsContact O-CG 3.31Å; T726-R730 WeakPolarHBondContact O-CG 3.35Å; T726-R730 PolarHBondContact O-N 2.88Å; V727-R730 PolarHBondContact O-N 3.03Å; R730-R733 WeakPolarHBondContact O-CB 3.03Å; R730-R733 PolarHBondContact O-N 2.8Å; R730-S734 PolarHBondContact O-N 3.19Å; R730-S734 VanDerWaalsContact O-N 3.12Å; R730-T770 PolarHBondContact NH2-OG1 3.34Å; R730-D771 VanDerWaalsContact CB-OD2 3.23Å; R730-D771 WeakPolarHBondContact CB-OD2 3.43Å; R730-D771 WeakPolarHBondContact CG-OD2 3.31Å; R730-D771 IonicContact CZ-OD1 3.98Å; R730-D771 VanDerWaalsContact CZ-OD1 3.27Å; R730-D771 IonicContact CZ-OD2 3.33Å; R730-D771 VanDerWaalsContact NE-CG 3.3Å; R730-D771 IonicContact NE-OD1 3.23Å; R730-D771 PolarHBondContact NE-OD1 2.79Å; R730-D771 IonicContact NE-OD2 2.67Å; R730-D771 PolarHBondContact NE-OD2 3.01Å; R730-D771 IonicContact NH2-OD1 3.17Å; R730-D771 PolarHBondContact NH2-OD1 3.37Å; R730-D771 IonicContact NH2-OD2 2.71Å
731	R	94.1	Very high	95.9	Very high	40 Å²	40	34.5 Å²	34.5	15%	0.151	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-50.5	172.7	-177.4	-176.4	178.5	-176.1	-2.4	111.4	L679 V727 R733 S734 E735	L679-R731 HydrophobicContact CD1-CG 4.11Å; V727-R731 WeakPolarHBondContact O-CB 2.83Å; V727-R731 PolarHBondContact O-N 2.91Å; R731-R733 VanDerWaalsContact C-N 3.27Å; R731-R733 PolarHBondContact O-N 2.8Å; R731-S734 PolarHBondContact O-N 2.78Å; R731-E735 HydrophobicContact CG-CG 4.43Å; R731-E735 WeakPolarHBondContact O-CG 3.47Å; R731-E735 PolarHBondContact O-N 2.89Å; R731-E735 VanDerWaalsContact O-N 3.14Å
732	L	95.6	Very high	95.7	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-54.2	-46.3	177.9	-177.8	64.7	0	0	0	111.3	T675 L679 V715 S728 E729 V736	T675-L732 HydrophobicContact CG2-CB 3.84Å; T675-L732 HydrophobicContact CG2-CD1 4.28Å; L679-L732 HydrophobicContact CD2-CD1 3.74Å; L679-L732 HydrophobicContact CG-CD1 4.02Å; V715-L732 HydrophobicContact CG1-CD1 4.41Å; V715-L732 HydrophobicContact CG1-CD2 4.21Å; S728-L732 WeakPolarHBondContact O-CB 3.39Å; S728-L732 PolarHBondContact O-N 3.39Å; E729-L732 PolarHBondContact O-N 3.02Å; L732-V736 HydrophobicContact CD1-CG2 3.64Å; L732-V736 HydrophobicContact CG-CG2 4.18Å; L732-V736 VanDerWaalsContact O-CB 3.23Å; L732-V736 WeakPolarHBondContact O-CB 3.11Å; L732-V736 WeakPolarHBondContact O-CG2 3.42Å; L732-V736 PolarHBondContact O-N 3.39Å
733	R	97.5	Very high	95.5	Very high	11 Å²	11	34.7 Å²	34.7	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-56.5	-51.2	177.8	175	-171.2	-57.1	128	9.1	112.4	T720 S722 S724 E729 R730 R731 L737 D771 V772	T720-R733 WeakPolarHBondContact O-CD 3.49Å; T720-R733 WeakPolarHBondContact O-CG 2.81Å; T720-R733 PolarHBondContact O-NE 2.81Å; T720-R733 VanDerWaalsContact O-NE 3.12Å; T720-R733 PolarHBondContact OG1-NE 3.45Å; T720-R733 PolarHBondContact OG1-NH2 2.74Å; S722-R733 WeakPolarHBondContact O-CD 3.06Å; S722-R733 VanDerWaalsContact O-CZ 3.3Å; S722-R733 PolarHBondContact O-NE 3.39Å; S722-R733 PolarHBondContact O-NH1 3.48Å; S724-R733 VanDerWaalsContact O-CZ 3.28Å; S724-R733 PolarHBondContact O-NH1 2.97Å; S724-R733 PolarHBondContact O-NH2 3.5Å; E729-R733 WeakPolarHBondContact O-CB 3.36Å; E729-R733 PolarHBondContact O-N 3.45Å; R730-R733 WeakPolarHBondContact O-CB 3.03Å; R730-R733 PolarHBondContact O-N 2.8Å; R731-R733 VanDerWaalsContact C-N 3.27Å; R731-R733 PolarHBondContact O-N 2.8Å; R733-L737 HydrophobicContact CG-CD1 3.71Å; R733-L737 HydrophobicContact CG-CG 4.43Å; R733-L737 VanDerWaalsContact O-CB 3.26Å; R733-L737 WeakPolarHBondContact O-CB 3.44Å; R733-L737 WeakPolarHBondContact O-CG 3.19Å; R733-L737 PolarHBondContact O-N 3.08Å; R733-D771 IonicContact NH1-OD2 3.45Å; R733-D771 PolarHBondContact NH1-OD2 3.39Å; R733-V772 HydrophobicContact CG-CG1 4.27Å
734	S	96.2	Very high	95.4	Very high	34 Å²	34	36.6 Å²	36.6	24%	0.238	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-49.8	-176.5	-163.4	0	0	0	0	111.1	R730 R731 S738 D771	R730-S734 PolarHBondContact O-N 3.19Å; R730-S734 VanDerWaalsContact O-N 3.12Å; R731-S734 PolarHBondContact O-N 2.78Å; S734-S738 WeakPolarHBondContact O-CB 3.45Å; S734-S738 PolarHBondContact O-N 3.25Å; S734-D771 VanDerWaalsContact CB-O 3.32Å; S734-D771 WeakPolarHBondContact CB-O 3.46Å; S734-D771 PolarHBondContact OG-O 3.36Å
735	E	95.1	Very high	95.5	Very high	91 Å²	91	35 Å²	35	43%	0.425	19%	0.191	S	C	.	.	H	α-helix	trans	-64.8	-48.1	-179.2	-61.4	-65.8	166.2	0	0	112	L679 R731 S738 L739	L679-E735 HydrophobicContact CD1-CG 4.28Å; L679-E735 HydrophobicContact CD2-CB 3.8Å; L679-E735 HydrophobicContact CD2-CG 4.25Å; R731-E735 HydrophobicContact CG-CG 4.43Å; R731-E735 WeakPolarHBondContact O-CG 3.47Å; R731-E735 PolarHBondContact O-N 2.89Å; R731-E735 VanDerWaalsContact O-N 3.14Å; E735-S738 PolarHBondContact O-N 3.27Å; E735-L739 WeakPolarHBondContact O-CB 3.47Å; E735-L739 PolarHBondContact O-N 2.69Å
736	V	96.8	Very high	95.6	Very high	6 Å²	6	36 Å²	36	4%	0.036	19%	0.189	C	C	.	.	H	α-helix	trans	-70.6	-39.7	-175	173	0	0	0	0	111.9	L679 L682 V715 I716 Q719 L732 A740	L679-V736 HydrophobicContact CD2-CG2 4.34Å; L682-V736 HydrophobicContact CD2-CG2 4.05Å; V715-V736 HydrophobicContact CG1-CG2 4.47Å; I716-V736 HydrophobicContact CB-CG1 4.09Å; I716-V736 HydrophobicContact CG1-CG1 3.36Å; Q719-V736 HydrophobicContact CG-CG1 4.28Å; L732-V736 HydrophobicContact CD1-CG2 3.64Å; L732-V736 HydrophobicContact CG-CG2 4.18Å; L732-V736 VanDerWaalsContact O-CB 3.23Å; L732-V736 WeakPolarHBondContact O-CB 3.11Å; L732-V736 WeakPolarHBondContact O-CG2 3.42Å; L732-V736 PolarHBondContact O-N 3.39Å; V736-A740 VanDerWaalsContact O-CB 3.27Å; V736-A740 WeakPolarHBondContact O-CB 3.35Å; V736-A740 PolarHBondContact O-N 3.3Å
737	L	98	Very high	95.7	Very high	4 Å²	4	35 Å²	35	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-70.9	-38.7	176	-70.3	178.1	0	0	0	111.7	Q719 W721 R733 A740 C741 C748 V772	Q719-L737 HydrophobicContact CB-CD1 4.14Å; Q719-L737 HydrophobicContact CB-CD2 3.87Å; Q719-L737 HydrophobicContact CB-CG 3.94Å; Q719-L737 HydrophobicContact CG-CD2 4.46Å; Q719-L737 HydrophobicContact CG-CG 4.38Å; W721-L737 HydrophobicContact CD2-CD1 4.36Å; W721-L737 HydrophobicContact CZ2-CD1 4.38Å; W721-L737 HydrophobicContact CZ2-CD2 4.1Å; R733-L737 HydrophobicContact CG-CD1 3.71Å; R733-L737 HydrophobicContact CG-CG 4.43Å; R733-L737 VanDerWaalsContact O-CB 3.26Å; R733-L737 WeakPolarHBondContact O-CB 3.44Å; R733-L737 WeakPolarHBondContact O-CG 3.19Å; R733-L737 PolarHBondContact O-N 3.08Å; L737-A740 PolarHBondContact O-N 2.94Å; L737-C741 WeakPolarHBondContact O-CB 3.22Å; L737-C741 PolarHBondContact O-N 2.87Å; L737-C748 PolarHBondContact O-SG 3.22Å; L737-V772 HydrophobicContact CD1-CG1 3.67Å
738	S	96.1	Very high	95.9	Very high	49 Å²	49	34.9 Å²	34.9	34%	0.343	18%	0.182	S	C	.	.	H	α-helix	trans	-57	-51.3	173.7	-174.4	0	0	0	0	110.9	S734 E735 C741 H742	S734-S738 WeakPolarHBondContact O-CB 3.45Å; S734-S738 PolarHBondContact O-N 3.25Å; E735-S738 PolarHBondContact O-N 3.27Å; S738-C741 PolarHBondContact O-N 2.93Å; S738-H742 WeakPolarHBondContact O-CB 3.48Å; S738-H742 PolarHBondContact O-N 2.62Å
739	L	95.3	Very high	96.2	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-45.8	177.3	-178.3	64.8	0	0	0	112.3	L682 E686 I708 E735 C741 H742 L743	L682-L739 HydrophobicContact CD1-CD2 3.44Å; L682-L739 VanDerWaalsContact CD1-CD2 3.44Å; L682-L739 HydrophobicContact CD2-CD2 3.74Å; L682-L739 HydrophobicContact CG-CD2 3.63Å; E686-L739 HydrophobicContact CG-CD1 3.9Å; I708-L739 HydrophobicContact CG2-CD2 4.21Å; E735-L739 WeakPolarHBondContact O-CB 3.47Å; E735-L739 PolarHBondContact O-N 2.69Å; L739-C741 VanDerWaalsContact C-N 3.31Å; L739-C741 PolarHBondContact O-N 3.08Å; L739-H742 WeakPolarHBondContact O-CB 3.47Å; L739-H742 PolarHBondContact O-N 3.46Å; L739-H742 VanDerWaalsContact O-N 3.13Å; L739-L743 HydrophobicContact CD1-CD1 3.95Å; L739-L743 HydrophobicContact CD1-CD2 4.38Å; L739-L743 HydrophobicContact CD1-CG 3.92Å; L739-L743 HydrophobicContact CD2-CD1 4.41Å; L739-L743 HydrophobicContact CG-CD1 3.87Å; L739-L743 HydrophobicContact CG-CG 4.18Å; L739-L743 WeakPolarHBondContact O-CB 3.47Å; L739-L743 VanDerWaalsContact O-CG 3.31Å; L739-L743 WeakPolarHBondContact O-CG 3.42Å; L739-L743 PolarHBondContact O-N 3.34Å
740	A	97.7	Very high	96.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-41	-179.5	0	0	0	0	0	112.1	I716 V736 L737 E744 Y745 C748	I716-A740 HydrophobicContact CD1-CB 4.43Å; I716-A740 HydrophobicContact CG1-CB 4.48Å; I716-A740 HydrophobicContact CG2-CB 3.87Å; V736-A740 VanDerWaalsContact O-CB 3.27Å; V736-A740 WeakPolarHBondContact O-CB 3.35Å; V736-A740 PolarHBondContact O-N 3.3Å; L737-A740 PolarHBondContact O-N 2.94Å; A740-E744 PolarHBondContact O-N 3.42Å; A740-Y745 HydrophobicContact CB-CD1 4.37Å; A740-Y745 WeakPolarHBondContact O-CB 3.3Å; A740-Y745 PolarHBondContact O-N 3.35Å; A740-C748 HydrophobicContact CB-CB 4.19Å
741	C	96.9	Very high	96.4	Very high	11 Å²	11	43.1 Å²	43.1	7%	0.074	22%	0.217	C	C	.	.	H	α-helix	trans	-70.9	-35.4	175.8	-84.1	0	0	0	0	112	L737 S738 L739 E744 C748 L749 T775 V779	L737-C741 WeakPolarHBondContact O-CB 3.22Å; L737-C741 PolarHBondContact O-N 2.87Å; S738-C741 PolarHBondContact O-N 2.93Å; L739-C741 VanDerWaalsContact C-N 3.31Å; L739-C741 PolarHBondContact O-N 3.08Å; C741-E744 PolarHBondContact O-N 3.28Å; C741-C748 VanDerWaalsContact CA-SG 3.55Å; C741-C748 HydrophobicContact CB-CB 4.21Å; C741-C748 WeakPolarHBondContact CB-SG 3.28Å; C741-C748 PolarHBondContact N-SG 2.63Å; C741-C748 WeakPolarHBondContact SG-CB 3.36Å; C741-C748 PolarHBondContact SG-O 3.46Å; C741-C748 CovalentContact SG-SG 2.06Å; C741-C748 PolarHBondContact SG-SG 3.34Å; C741-L749 HydrophobicContact CB-CD2 4.27Å; C741-T775 HydrophobicContact CB-CG2 3.78Å; C741-V779 HydrophobicContact CB-CG2 4.16Å
742	H	92.3	Very high	96.6	Very high	66 Å²	66	41.2 Å²	41.2	31%	0.306	21%	0.21	S	C	.	.	H	α-helix	trans	-63	-41.8	173.6	-177.7	73.1	0	0	0	112.2	Y689 H690 S738 L739 E744	Y689-H742 AromaticContact CE1-CD2 3.84Å; Y689-H742 AromaticContact CE1-NE2 3.57Å; H690-H742 AromaticContact CE1-NE2 3.54Å; S738-H742 WeakPolarHBondContact O-CB 3.48Å; S738-H742 PolarHBondContact O-N 2.62Å; L739-H742 WeakPolarHBondContact O-CB 3.47Å; L739-H742 PolarHBondContact O-N 3.46Å; L739-H742 VanDerWaalsContact O-N 3.13Å; H742-E744 PolarHBondContact O-N 3.36Å; H742-E744 VanDerWaalsContact O-N 3.13Å
743	L	94.2	Very high	96.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	18.5	174.6	-62.5	-177.3	0	0	0	113.4	Y689 E705 I708 L709 L739 Y745	Y689-L743 HydrophobicContact CD1-CD2 4.02Å; Y689-L743 HydrophobicContact CD2-CD2 3.78Å; Y689-L743 HydrophobicContact CE1-CD2 3.73Å; Y689-L743 HydrophobicContact CE2-CD2 3.44Å; Y689-L743 VanDerWaalsContact CE2-CD2 3.44Å; Y689-L743 HydrophobicContact CG-CD2 4.04Å; Y689-L743 VanDerWaalsContact CZ-CD2 3.41Å; E705-L743 HydrophobicContact CG-CB 3.99Å; E705-L743 HydrophobicContact CG-CD2 4.18Å; I708-L743 HydrophobicContact CB-CD1 4.1Å; I708-L743 HydrophobicContact CG2-CD1 3.69Å; L709-L743 HydrophobicContact CD1-CB 4.26Å; L709-L743 HydrophobicContact CD2-CB 4.02Å; L709-L743 HydrophobicContact CD2-CD1 4.1Å; L709-L743 HydrophobicContact CG-CB 4.2Å; L709-L743 HydrophobicContact CG-CD1 4.2Å; L739-L743 HydrophobicContact CD1-CD1 3.95Å; L739-L743 HydrophobicContact CD1-CD2 4.38Å; L739-L743 HydrophobicContact CD1-CG 3.92Å; L739-L743 HydrophobicContact CD2-CD1 4.41Å; L739-L743 HydrophobicContact CG-CD1 3.87Å; L739-L743 HydrophobicContact CG-CG 4.18Å; L739-L743 WeakPolarHBondContact O-CB 3.47Å; L739-L743 VanDerWaalsContact O-CG 3.31Å; L739-L743 WeakPolarHBondContact O-CG 3.42Å; L739-L743 PolarHBondContact O-N 3.34Å; L743-Y745 VanDerWaalsContact C-N 3.26Å; L743-Y745 PolarHBondContact O-N 3.41Å; L743-Y745 VanDerWaalsContact O-N 3.15Å
744	E	94.6	Very high	96.7	Very high	93 Å²	93	47.1 Å²	47.1	44%	0.435	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	30.2	176	-55.1	-170.7	173.7	0	0	115.3	A740 C741 H742 P746 L749 R814	A740-E744 PolarHBondContact O-N 3.42Å; C741-E744 PolarHBondContact O-N 3.28Å; H742-E744 PolarHBondContact O-N 3.36Å; H742-E744 VanDerWaalsContact O-N 3.13Å; E744-P746 VanDerWaalsContact O-CD 3.27Å; E744-P746 WeakPolarHBondContact O-CD 3.34Å; E744-L749 HydrophobicContact CB-CD1 4.24Å; E744-R814 IonicContact OE1-CZ 3.24Å; E744-R814 VanDerWaalsContact OE1-CZ 3.24Å; E744-R814 IonicContact OE1-NH1 2.81Å; E744-R814 PolarHBondContact OE1-NH1 2.95Å; E744-R814 IonicContact OE1-NH2 2.72Å; E744-R814 PolarHBondContact OE1-NH2 2.84Å
745	Y	97.7	Very high	96.7	Very high	31 Å²	31	47.9 Å²	47.9	12%	0.122	24%	0.239	C	C	.	.			trans	-65	116.1	178.3	-174.1	-128.1	0	0	0	111.6	L709 I716 D717 A740 L743 P747 C748 L749	L709-Y745 HydrophobicContact CD1-CD2 4.29Å; L709-Y745 HydrophobicContact CD2-CD2 4.33Å; L709-Y745 HydrophobicContact CD2-CG 4.19Å; I716-Y745 HydrophobicContact CG2-CD1 4.01Å; I716-Y745 HydrophobicContact CG2-CE1 3.96Å; D717-Y745 PolarHBondContact OD1-OH 3.11Å; A740-Y745 HydrophobicContact CB-CD1 4.37Å; A740-Y745 WeakPolarHBondContact O-CB 3.3Å; A740-Y745 PolarHBondContact O-N 3.35Å; L743-Y745 VanDerWaalsContact C-N 3.26Å; L743-Y745 PolarHBondContact O-N 3.41Å; L743-Y745 VanDerWaalsContact O-N 3.15Å; Y745-P747 HydrophobicContact CD1-CB 4.3Å; Y745-P747 HydrophobicContact CD1-CG 4.33Å; Y745-P747 HydrophobicContact CE1-CB 3.78Å; Y745-P747 HydrophobicContact CE1-CG 3.69Å; Y745-P747 HydrophobicContact CE2-CG 4.14Å; Y745-C748 HydrophobicContact CD1-CB 4.06Å; Y745-C748 WeakPolarHBondContact O-CB 3.31Å; Y745-C748 PolarHBondContact O-N 3.14Å; Y745-L749 PolarHBondContact O-N 3.27Å
746	P	97.1	Very high	96.8	Very high	75 Å²	75	43.8 Å²	43.8	49%	0.487	22%	0.22	S	C	.	.	H	α-helix	trans	-58.2	-44.8	-168.3	-24.1	32	0	0	0	114.9	E744 C748 L749 E750	E744-P746 VanDerWaalsContact O-CD 3.27Å; E744-P746 WeakPolarHBondContact O-CD 3.34Å; P746-C748 VanDerWaalsContact C-N 3.26Å; P746-C748 PolarHBondContact O-N 2.98Å; P746-L749 PolarHBondContact O-N 3.2Å; P746-E750 WeakPolarHBondContact O-CB 2.99Å; P746-E750 WeakPolarHBondContact O-CG 2.87Å; P746-E750 PolarHBondContact O-N 3.24Å
747	P	97.5	Very high	96.8	Very high	50 Å²	50	48.7 Å²	48.7	33%	0.325	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-31.1	176.6	-25.6	37.3	0	0	0	114.1	Y745 R751	Y745-P747 HydrophobicContact CD1-CB 4.3Å; Y745-P747 HydrophobicContact CD1-CG 4.33Å; Y745-P747 HydrophobicContact CE1-CB 3.78Å; Y745-P747 HydrophobicContact CE1-CG 3.69Å; Y745-P747 HydrophobicContact CE2-CG 4.14Å; P747-R751 WeakPolarHBondContact O-CG 3.18Å; P747-R751 PolarHBondContact O-N 3.41Å
748	C	98	Very high	96.7	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-69	-50	174.5	-169.7	0	0	0	0	110.3	W721 L737 A740 C741 Y745 P746 E750 R751 A752	W721-C748 WeakPolarHBondContact CH2-O 3.01Å; L737-C748 PolarHBondContact O-SG 3.22Å; A740-C748 HydrophobicContact CB-CB 4.19Å; C741-C748 VanDerWaalsContact CA-SG 3.55Å; C741-C748 HydrophobicContact CB-CB 4.21Å; C741-C748 WeakPolarHBondContact CB-SG 3.28Å; C741-C748 PolarHBondContact N-SG 2.63Å; C741-C748 WeakPolarHBondContact SG-CB 3.36Å; C741-C748 PolarHBondContact SG-O 3.46Å; C741-C748 CovalentContact SG-SG 2.06Å; C741-C748 PolarHBondContact SG-SG 3.34Å; Y745-C748 HydrophobicContact CD1-CB 4.06Å; Y745-C748 WeakPolarHBondContact O-CB 3.31Å; Y745-C748 PolarHBondContact O-N 3.14Å; P746-C748 VanDerWaalsContact C-N 3.26Å; P746-C748 PolarHBondContact O-N 2.98Å; C748-E750 PolarHBondContact O-N 2.81Å; C748-R751 PolarHBondContact O-N 3.06Å; C748-A752 WeakPolarHBondContact O-CB 3.13Å; C748-A752 PolarHBondContact O-N 2.94Å
749	L	97.9	Very high	96.6	Very high	47 Å²	47	49.4 Å²	49.4	25%	0.246	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-42.4	-179.4	-67.7	-179.4	0	0	0	112.5	C741 E744 Y745 P746 A752 N753 V779	C741-L749 HydrophobicContact CB-CD2 4.27Å; E744-L749 HydrophobicContact CB-CD1 4.24Å; Y745-L749 PolarHBondContact O-N 3.27Å; P746-L749 PolarHBondContact O-N 3.2Å; L749-A752 PolarHBondContact O-N 3.26Å; L749-N753 VanDerWaalsContact O-CB 3.25Å; L749-N753 WeakPolarHBondContact O-CB 3.28Å; L749-N753 PolarHBondContact O-N 2.67Å; L749-N753 PolarHBondContact O-ND2 3.15Å; L749-V779 HydrophobicContact CD2-CG1 4.38Å; L749-V779 HydrophobicContact CD2-CG2 3.94Å
750	E	97.9	Very high	96.4	Very high	138 Å²	138	51 Å²	51	65%	0.645	25%	0.248	S	C	*	.	H	α-helix	trans	-59.9	-47.2	177.6	-75.8	174.9	-171.6	0	0	111.3	P746 C748 Q754	P746-E750 WeakPolarHBondContact O-CB 2.99Å; P746-E750 WeakPolarHBondContact O-CG 2.87Å; P746-E750 PolarHBondContact O-N 3.24Å; C748-E750 PolarHBondContact O-N 2.81Å; E750-Q754 WeakPolarHBondContact O-CB 3.26Å; E750-Q754 PolarHBondContact O-N 2.83Å
751	R	97.9	Very high	96.2	Very high	127 Å²	127	58.4 Å²	58.4	48%	0.479	28%	0.282	S	S	.	.	H	α-helix	trans	-66.7	-45.9	178	-72.2	-176.3	-179.2	178.4	4.1	112.2	W721 P747 C748 N753 Q754 H755	W721-R751 HydrophobicContact CD2-CB 4.02Å; W721-R751 HydrophobicContact CE3-CB 4.42Å; W721-R751 HydrophobicContact CH2-CB 4.11Å; W721-R751 HydrophobicContact CZ2-CB 3.64Å; W721-R751 HydrophobicContact CZ3-CB 4.46Å; W721-R751 VanDerWaalsContact NE1-CD 3.26Å; P747-R751 WeakPolarHBondContact O-CG 3.18Å; P747-R751 PolarHBondContact O-N 3.41Å; C748-R751 PolarHBondContact O-N 3.06Å; R751-N753 VanDerWaalsContact C-N 3.32Å; R751-N753 PolarHBondContact O-N 3.24Å; R751-Q754 PolarHBondContact O-N 3.26Å; R751-H755 PolarHBondContact O-CD2 3.25Å; R751-H755 VanDerWaalsContact O-CD2 3.22Å; R751-H755 PolarHBondContact O-N 3.11Å
752	A	98	Very high	95.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.7	-46.3	176.6	0	0	0	0	0	111.6	W721 C748 L749 Q754 H755 F756 V779	W721-A752 HydrophobicContact CH2-CB 3.68Å; W721-A752 HydrophobicContact CZ3-CB 3.91Å; C748-A752 WeakPolarHBondContact O-CB 3.13Å; C748-A752 PolarHBondContact O-N 2.94Å; L749-A752 PolarHBondContact O-N 3.26Å; A752-Q754 VanDerWaalsContact C-N 3.34Å; A752-Q754 PolarHBondContact O-N 2.93Å; A752-H755 PolarHBondContact O-N 3.41Å; A752-F756 WeakPolarHBondContact O-CB 3.41Å; A752-F756 PolarHBondContact O-N 3.46Å; A752-V779 HydrophobicContact CB-CB 3.82Å; A752-V779 HydrophobicContact CB-CG1 3.95Å; A752-V779 HydrophobicContact CB-CG2 3.66Å
753	N	97.5	Very high	95.6	Very high	56 Å²	56	62.8 Å²	62.8	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-63.6	-39.6	177.5	-82.4	-57.8	0	0	0	112.2	L749 R751 F756 K757 V779	L749-N753 VanDerWaalsContact O-CB 3.25Å; L749-N753 WeakPolarHBondContact O-CB 3.28Å; L749-N753 PolarHBondContact O-N 2.67Å; L749-N753 PolarHBondContact O-ND2 3.15Å; R751-N753 VanDerWaalsContact C-N 3.32Å; R751-N753 PolarHBondContact O-N 3.24Å; N753-F756 PolarHBondContact O-N 2.96Å; N753-K757 WeakPolarHBondContact O-CB 3.37Å; N753-K757 VanDerWaalsContact O-CG 3.26Å; N753-K757 WeakPolarHBondContact O-CG 3.16Å; N753-K757 PolarHBondContact O-N 3.06Å; N753-V779 WeakPolarHBondContact OD1-CG1 3.15Å
754	Q	97.2	Very high	94.8	Very high	94 Å²	94	64.3 Å²	64.3	44%	0.439	33%	0.325	S	S	.	.	H	α-helix	trans	-63.2	-49.7	176.3	-175.2	56.4	47.9	0	0	110.9	E750 R751 A752 F756 K757 D758	E750-Q754 WeakPolarHBondContact O-CB 3.26Å; E750-Q754 PolarHBondContact O-N 2.83Å; R751-Q754 PolarHBondContact O-N 3.26Å; A752-Q754 VanDerWaalsContact C-N 3.34Å; A752-Q754 PolarHBondContact O-N 2.93Å; Q754-F756 VanDerWaalsContact C-N 3.31Å; Q754-F756 PolarHBondContact O-N 3.32Å; Q754-K757 WeakPolarHBondContact O-CB 3.36Å; Q754-K757 PolarHBondContact O-N 3.26Å; Q754-K757 VanDerWaalsContact O-N 3.16Å; Q754-D758 VanDerWaalsContact NE2-CG 3.3Å; Q754-D758 PolarHBondContact NE2-OD1 3.1Å; Q754-D758 PolarHBondContact NE2-OD2 3.21Å; Q754-D758 VanDerWaalsContact NE2-OD2 3.09Å; Q754-D758 VanDerWaalsContact O-CG 3.26Å; Q754-D758 PolarHBondContact O-N 3.22Å
755	H	97.6	Very high	94.3	Very high	51 Å²	51	65.1 Å²	65.1	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-41.5	175.9	-81.7	-71.1	0	0	0	112.6	W721 R751 A752 D758 W759 L768 V776	W721-H755 AromaticContact CE3-CD2 3.51Å; W721-H755 AromaticContact CE3-NE2 3.96Å; R751-H755 PolarHBondContact O-CD2 3.25Å; R751-H755 VanDerWaalsContact O-CD2 3.22Å; R751-H755 PolarHBondContact O-N 3.11Å; A752-H755 PolarHBondContact O-N 3.41Å; H755-D758 PolarHBondContact O-N 3.47Å; H755-W759 WeakPolarHBondContact O-CB 3.23Å; H755-W759 PolarHBondContact O-N 2.97Å; H755-L768 HydrophobicContact CB-CD2 4.09Å; H755-V776 HydrophobicContact CB-CG1 3.96Å; H755-V776 HydrophobicContact CB-CG2 3.84Å
756	F	97.1	Very high	94	Very high	5 Å²	5	67.2 Å²	67.2	2%	0.022	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-44.7	176.3	-170.2	-111.2	0	0	0	111	A752 N753 Q754 D758 W759 L760 V776 F777 G780 L790	A752-F756 WeakPolarHBondContact O-CB 3.41Å; A752-F756 PolarHBondContact O-N 3.46Å; N753-F756 PolarHBondContact O-N 2.96Å; Q754-F756 VanDerWaalsContact C-N 3.31Å; Q754-F756 PolarHBondContact O-N 3.32Å; F756-D758 PolarHBondContact O-N 3.22Å; F756-W759 HydrophobicContact CD2-CE3 4.13Å; F756-W759 AromaticContact CE2-CE3 3.85Å; F756-W759 HydrophobicContact CE2-CE3 3.85Å; F756-W759 AromaticContact CE2-CZ3 3.88Å; F756-W759 HydrophobicContact CE2-CZ3 3.88Å; F756-W759 HydrophobicContact CZ-CZ3 4.35Å; F756-W759 WeakPolarHBondContact O-CB 3.3Å; F756-W759 PolarHBondContact O-N 3Å; F756-L760 HydrophobicContact CD1-CD1 3.72Å; F756-L760 HydrophobicContact CD1-CG 4.06Å; F756-L760 HydrophobicContact CE1-CD1 3.59Å; F756-L760 HydrophobicContact CE1-CD2 4.03Å; F756-L760 HydrophobicContact CE1-CG 3.91Å; F756-L760 HydrophobicContact CZ-CD1 4.4Å; F756-L760 HydrophobicContact CZ-CD2 4.01Å; F756-L760 HydrophobicContact CZ-CG 4.28Å; F756-L760 VanDerWaalsContact O-CG 3.23Å; F756-L760 WeakPolarHBondContact O-CG 3.46Å; F756-L760 PolarHBondContact O-N 3.45Å; F756-V776 HydrophobicContact CB-CG1 3.77Å; F756-V776 HydrophobicContact CD2-CG1 4.2Å; F756-F777 HydrophobicContact CD2-CD1 4.33Å; F756-F777 HydrophobicContact CE2-CD1 4.27Å; F756-G780 VanDerWaalsContact CD1-CA 3.46Å; F756-G780 VanDerWaalsContact CE1-CA 3.44Å; F756-L790 HydrophobicContact CE2-CD1 4.15Å; F756-L790 HydrophobicContact CE2-CD2 4.19Å; F756-L790 HydrophobicContact CE2-CG 4.18Å; F756-L790 HydrophobicContact CZ-CD1 4.29Å; F756-L790 HydrophobicContact CZ-CG 4.32Å
757	K	95.6	Very high	93.7	Very high	108 Å²	108	68.1 Å²	68.1	47%	0.47	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-42.1	175.6	-75	172.4	-176.5	176.2	0	112.6	N753 Q754 W759 L760 H761	N753-K757 WeakPolarHBondContact O-CB 3.37Å; N753-K757 VanDerWaalsContact O-CG 3.26Å; N753-K757 WeakPolarHBondContact O-CG 3.16Å; N753-K757 PolarHBondContact O-N 3.06Å; Q754-K757 WeakPolarHBondContact O-CB 3.36Å; Q754-K757 PolarHBondContact O-N 3.26Å; Q754-K757 VanDerWaalsContact O-N 3.16Å; K757-W759 VanDerWaalsContact C-N 3.34Å; K757-L760 WeakPolarHBondContact O-CB 3.22Å; K757-L760 PolarHBondContact O-N 3.09Å; K757-H761 VanDerWaalsContact O-CG 3.23Å; K757-H761 PolarHBondContact O-N 3.35Å
758	D	95.8	Very high	93.6	Very high	62 Å²	62	66.4 Å²	66.4	33%	0.332	34%	0.338	S	S	.	.	H	α-helix	trans	-65.7	-41.1	178.1	-65.1	-27.7	0	0	0	111	Q754 H755 F756 H761 S762 L766	Q754-D758 VanDerWaalsContact NE2-CG 3.3Å; Q754-D758 PolarHBondContact NE2-OD1 3.1Å; Q754-D758 PolarHBondContact NE2-OD2 3.21Å; Q754-D758 VanDerWaalsContact NE2-OD2 3.09Å; Q754-D758 VanDerWaalsContact O-CG 3.26Å; Q754-D758 PolarHBondContact O-N 3.22Å; H755-D758 PolarHBondContact O-N 3.47Å; F756-D758 PolarHBondContact O-N 3.22Å; D758-H761 PolarHBondContact O-N 3.43Å; D758-S762 PolarHBondContact O-N 3.35Å; D758-L766 HydrophobicContact CB-CD2 3.9Å
759	W	95.3	Very high	93.6	Very high	7 Å²	7	67.5 Å²	67.5	3%	0.027	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-43.8	172	179.9	81.9	0	0	0	112	H755 F756 K757 S762 G764 L766 L768 F777 L789 L790 T793	H755-W759 WeakPolarHBondContact O-CB 3.23Å; H755-W759 PolarHBondContact O-N 2.97Å; F756-W759 HydrophobicContact CD2-CE3 4.13Å; F756-W759 AromaticContact CE2-CE3 3.85Å; F756-W759 HydrophobicContact CE2-CE3 3.85Å; F756-W759 AromaticContact CE2-CZ3 3.88Å; F756-W759 HydrophobicContact CE2-CZ3 3.88Å; F756-W759 HydrophobicContact CZ-CZ3 4.35Å; F756-W759 WeakPolarHBondContact O-CB 3.3Å; F756-W759 PolarHBondContact O-N 3Å; K757-W759 VanDerWaalsContact C-N 3.34Å; W759-S762 PolarHBondContact O-N 3.41Å; W759-S762 PolarHBondContact O-OG 2.97Å; W759-G764 PolarHBondContact O-N 3.17Å; W759-L766 VanDerWaalsContact CD1-O 3.23Å; W759-L768 HydrophobicContact CB-CD1 4.28Å; W759-L768 HydrophobicContact CB-CD2 4.16Å; W759-L768 HydrophobicContact CB-CG 4.27Å; W759-L768 HydrophobicContact CG-CD1 4.09Å; W759-L768 HydrophobicContact CG-CG 4.25Å; W759-F777 HydrophobicContact CD2-CE1 4.21Å; W759-F777 HydrophobicContact CZ2-CE1 4.31Å; W759-L789 HydrophobicContact CH2-CD2 4.32Å; W759-L789 HydrophobicContact CZ3-CD2 3.85Å; W759-L790 HydrophobicContact CH2-CD2 4.28Å; W759-L790 HydrophobicContact CZ3-CD2 4.38Å; W759-T793 HydrophobicContact CH2-CG2 4.26Å; W759-T793 HydrophobicContact CZ2-CG2 4.07Å
760	L	90.9	Very high	93.5	Very high	44 Å²	44	65.5 Å²	65.5	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-49.1	174.4	-70.8	177.1	0	0	0	112.1	F756 K757 S762 N763 L789	F756-L760 HydrophobicContact CD1-CD1 3.72Å; F756-L760 HydrophobicContact CD1-CG 4.06Å; F756-L760 HydrophobicContact CE1-CD1 3.59Å; F756-L760 HydrophobicContact CE1-CD2 4.03Å; F756-L760 HydrophobicContact CE1-CG 3.91Å; F756-L760 HydrophobicContact CZ-CD1 4.4Å; F756-L760 HydrophobicContact CZ-CD2 4.01Å; F756-L760 HydrophobicContact CZ-CG 4.28Å; F756-L760 VanDerWaalsContact O-CG 3.23Å; F756-L760 WeakPolarHBondContact O-CG 3.46Å; F756-L760 PolarHBondContact O-N 3.45Å; K757-L760 WeakPolarHBondContact O-CB 3.22Å; K757-L760 PolarHBondContact O-N 3.09Å; L760-S762 PolarHBondContact O-N 2.76Å; L760-N763 WeakPolarHBondContact O-CA 3.41Å; L760-N763 PolarHBondContact O-N 2.97Å; L760-L789 HydrophobicContact CD2-CD2 3.01Å; L760-L789 HydrophobicContact CD2-CG 4.44Å; L760-L789 HydrophobicContact CG-CD2 4.49Å
761	H	92.7	Very high	93.4	Very high	157 Å²	157	59.1 Å²	59.1	73%	0.727	31%	0.305	S	S	*	.	H	α-helix	trans	-63.6	-28.2	-179.6	-68	164.2	0	0	0	112.7	K757 D758 N763	K757-H761 VanDerWaalsContact O-CG 3.23Å; K757-H761 PolarHBondContact O-N 3.35Å; D758-H761 PolarHBondContact O-N 3.43Å; H761-N763 PolarHBondContact O-N 3.2Å
762	S	91.2	Very high	93.4	Very high	28 Å²	28	53 Å²	53	20%	0.196	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	0.6	173.3	80	0	0	0	0	114	D758 W759 L760 G764 T765 L766	D758-S762 PolarHBondContact O-N 3.35Å; W759-S762 PolarHBondContact O-N 3.41Å; W759-S762 PolarHBondContact O-OG 2.97Å; L760-S762 PolarHBondContact O-N 2.76Å; S762-G764 PolarHBondContact O-N 2.99Å; S762-G764 PolarHBondContact OG-N 3.43Å; S762-T765 WeakPolarHBondContact O-CB 3.46Å; S762-T765 WeakPolarHBondContact O-CG2 3.38Å; S762-T765 PolarHBondContact O-N 3.45Å; S762-T765 VanDerWaalsContact O-N 3.14Å; S762-T765 PolarHBondContact O-OG1 3.03Å; S762-T765 PolarHBondContact OG-N 2.82Å; S762-L766 WeakPolarHBondContact OG-CB 3.36Å; S762-L766 PolarHBondContact OG-N 3.26Å
763	N	85.3	Confident	93.4	Very high	141 Å²	141	53.4 Å²	53.4	75%	0.754	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	38.4	-170	-164.6	36.5	0	0	0	112.3	L760 H761 T765	L760-N763 WeakPolarHBondContact O-CA 3.41Å; L760-N763 PolarHBondContact O-N 2.97Å; H761-N763 PolarHBondContact O-N 3.2Å; N763-T765 VanDerWaalsContact C-N 3.3Å; N763-T765 PolarHBondContact O-N 3.23Å
764	G	78.5	Confident	93.3	Very high	32 Å²	32	53.9 Å²	53.9	33%	0.33	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	7.9	-179.6	0	0	0	0	0	116.3	W759 S762	W759-G764 PolarHBondContact O-N 3.17Å; S762-G764 PolarHBondContact O-N 2.99Å; S762-G764 PolarHBondContact OG-N 3.43Å
765	T	84.1	Confident	93.4	Very high	111 Å²	111	49.6 Å²	49.6	68%	0.681	27%	0.266	S	S	*	.			trans	-84.6	-18.9	179.8	62.5	0	0	0	0	114	S762 N763 N767	S762-T765 WeakPolarHBondContact O-CB 3.46Å; S762-T765 WeakPolarHBondContact O-CG2 3.38Å; S762-T765 PolarHBondContact O-N 3.45Å; S762-T765 VanDerWaalsContact O-N 3.14Å; S762-T765 PolarHBondContact O-OG1 3.03Å; S762-T765 PolarHBondContact OG-N 2.82Å; N763-T765 VanDerWaalsContact C-N 3.3Å; N763-T765 PolarHBondContact O-N 3.23Å; T765-N767 PolarHBondContact O-N 3.34Å
766	L	91.5	Very high	93.4	Very high	74 Å²	74	47.2 Å²	47.2	39%	0.387	26%	0.255	S	S	.	.	S	Bend	trans	-69.8	126.7	172	-179.4	70.9	0	0	0	109.6	D758 W759 S762 L768	D758-L766 HydrophobicContact CB-CD2 3.9Å; W759-L766 VanDerWaalsContact CD1-O 3.23Å; S762-L766 WeakPolarHBondContact OG-CB 3.36Å; S762-L766 PolarHBondContact OG-N 3.26Å; L766-L768 PolarHBondContact O-N 3.47Å
767	N	90.1	Very high	93.5	Very high	95 Å²	95	47.2 Å²	47.2	51%	0.508	26%	0.255	S	S	.	.			trans	-78.4	115.6	172.2	-65	-38.5	0	0	0	109.8	T765	T765-N767 PolarHBondContact O-N 3.34Å
768	L	95.7	Very high	93.6	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.068	24%	0.24	C	C	.	.			trans	-72.9	143.9	168	-68.1	173.9	0	0	0	109.3	H755 W759 L766 T770 A773 V776 F777	H755-L768 HydrophobicContact CB-CD2 4.09Å; W759-L768 HydrophobicContact CB-CD1 4.28Å; W759-L768 HydrophobicContact CB-CD2 4.16Å; W759-L768 HydrophobicContact CB-CG 4.27Å; W759-L768 HydrophobicContact CG-CD1 4.09Å; W759-L768 HydrophobicContact CG-CG 4.25Å; L766-L768 PolarHBondContact O-N 3.47Å; L768-T770 PolarHBondContact O-N 3.38Å; L768-A773 HydrophobicContact CB-CB 4.09Å; L768-V776 HydrophobicContact CD1-CB 4.16Å; L768-V776 HydrophobicContact CD1-CG1 3.72Å; L768-V776 HydrophobicContact CD2-CG1 4.27Å; L768-F777 HydrophobicContact CD1-CD1 4.1Å; L768-F777 HydrophobicContact CD1-CE1 3.42Å; L768-F777 VanDerWaalsContact CD1-CE1 3.42Å; L768-F777 HydrophobicContact CD1-CZ 3.82Å
769	P	97.4	Very high	93.7	Very high	27 Å²	27	41 Å²	41	18%	0.175	23%	0.229	C	C	.	.			trans	-56.6	128.1	170	-16.5	27.2	0	0	0	109.8	D723 D771 V772 A773	D723-P769 VanDerWaalsContact OD1-C 3.3Å; D723-P769 WeakPolarHBondContact OD1-CB 3.34Å; P769-D771 PolarHBondContact O-N 3.26Å; P769-V772 HydrophobicContact CB-CG2 4.01Å; P769-V772 HydrophobicContact CG-CG2 4.19Å; P769-V772 WeakPolarHBondContact O-CG2 3.42Å; P769-V772 PolarHBondContact O-N 3.07Å; P769-V772 VanDerWaalsContact O-N 3.15Å; P769-A773 PolarHBondContact O-N 3.29Å
770	T	96.9	Very high	93.7	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.037	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30	-170.3	55.9	0	0	0	0	113.2	L336 D723 R730 L768 V772	L336-T770 WeakPolarHBondContact O-CG2 3.36Å; D723-T770 VanDerWaalsContact CG-N 3.25Å; D723-T770 PolarHBondContact OD1-N 2.86Å; D723-T770 PolarHBondContact OD1-OG1 3.44Å; D723-T770 PolarHBondContact OD2-N 3.12Å; D723-T770 PolarHBondContact OD2-OG1 3.02Å; R730-T770 PolarHBondContact NH2-OG1 3.34Å; L768-T770 PolarHBondContact O-N 3.38Å; T770-V772 VanDerWaalsContact C-N 3.33Å; T770-V772 PolarHBondContact O-N 2.94Å
771	D	95.3	Very high	94	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-26	179.8	-65.8	-14	0	0	0	113.5	D723 R730 R733 S734 P769	D723-D771 WeakPolarHBondContact OD1-CB 3.42Å; D723-D771 PolarHBondContact OD1-N 2.68Å; R730-D771 VanDerWaalsContact CB-OD2 3.23Å; R730-D771 WeakPolarHBondContact CB-OD2 3.43Å; R730-D771 WeakPolarHBondContact CG-OD2 3.31Å; R730-D771 IonicContact CZ-OD1 3.98Å; R730-D771 VanDerWaalsContact CZ-OD1 3.27Å; R730-D771 IonicContact CZ-OD2 3.33Å; R730-D771 VanDerWaalsContact NE-CG 3.3Å; R730-D771 IonicContact NE-OD1 3.23Å; R730-D771 PolarHBondContact NE-OD1 2.79Å; R730-D771 IonicContact NE-OD2 2.67Å; R730-D771 PolarHBondContact NE-OD2 3.01Å; R730-D771 IonicContact NH2-OD1 3.17Å; R730-D771 PolarHBondContact NH2-OD1 3.37Å; R730-D771 IonicContact NH2-OD2 2.71Å; R733-D771 IonicContact NH1-OD2 3.45Å; R733-D771 PolarHBondContact NH1-OD2 3.39Å; S734-D771 VanDerWaalsContact CB-O 3.32Å; S734-D771 WeakPolarHBondContact CB-O 3.46Å; S734-D771 PolarHBondContact OG-O 3.36Å; P769-D771 PolarHBondContact O-N 3.26Å
772	V	97.3	Very high	94.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-6.7	-176.5	-55.3	0	0	0	0	113	W721 R733 L737 P769 T770 E774 T775 V776	W721-V772 HydrophobicContact CE3-CB 4.18Å; W721-V772 HydrophobicContact CE3-CG1 4.47Å; W721-V772 HydrophobicContact CE3-CG2 4.08Å; W721-V772 HydrophobicContact CZ3-CB 4.46Å; R733-V772 HydrophobicContact CG-CG1 4.27Å; L737-V772 HydrophobicContact CD1-CG1 3.67Å; P769-V772 HydrophobicContact CB-CG2 4.01Å; P769-V772 HydrophobicContact CG-CG2 4.19Å; P769-V772 WeakPolarHBondContact O-CG2 3.42Å; P769-V772 PolarHBondContact O-N 3.07Å; P769-V772 VanDerWaalsContact O-N 3.15Å; T770-V772 VanDerWaalsContact C-N 3.33Å; T770-V772 PolarHBondContact O-N 2.94Å; V772-E774 VanDerWaalsContact C-N 3.32Å; V772-E774 PolarHBondContact O-N 3.04Å; V772-T775 WeakPolarHBondContact O-CB 3.38Å; V772-T775 PolarHBondContact O-N 3.42Å; V772-T775 VanDerWaalsContact O-N 3.11Å; V772-V776 HydrophobicContact CG2-CG2 4.3Å; V772-V776 WeakPolarHBondContact O-CG2 3.21Å; V772-V776 PolarHBondContact O-N 3.2Å
773	A	97.5	Very high	94.2	Very high	7 Å²	7	36.9 Å²	36.9	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-56.5	-43.1	-175.8	0	0	0	0	0	112.6	L768 P769 V776 F777 K805	L768-A773 HydrophobicContact CB-CB 4.09Å; P769-A773 PolarHBondContact O-N 3.29Å; A773-V776 PolarHBondContact O-N 3Å; A773-F777 HydrophobicContact CB-CE2 4.18Å; A773-F777 WeakPolarHBondContact O-CB 3.33Å; A773-F777 WeakPolarHBondContact O-CD2 3.25Å; A773-F777 WeakPolarHBondContact O-CG 3.38Å; A773-F777 PolarHBondContact O-N 2.92Å; A773-K805 HydrophobicContact CB-CD 4.3Å
774	E	97.3	Very high	94.7	Very high	67 Å²	67	35.1 Å²	35.1	31%	0.313	20%	0.199	S	C	.	.	H	α-helix	trans	-62.9	-42.8	176.8	-175.5	169.9	154.7	0	0	112.3	V772 F777 S778 K805 S808	V772-E774 VanDerWaalsContact C-N 3.32Å; V772-E774 PolarHBondContact O-N 3.04Å; E774-F777 PolarHBondContact O-N 3.2Å; E774-S778 WeakPolarHBondContact O-CB 3.31Å; E774-S778 PolarHBondContact O-N 2.85Å; E774-S778 PolarHBondContact O-OG 2.82Å; E774-K805 HydrophobicContact CB-CB 4.07Å; E774-K805 HydrophobicContact CB-CD 4.42Å; E774-K805 HydrophobicContact CB-CG 4.07Å; E774-K805 HydrophobicContact CG-CB 4.39Å; E774-S808 VanDerWaalsContact OE1-CB 3.23Å; E774-S808 WeakPolarHBondContact OE1-CB 3.4Å; E774-S808 PolarHBondContact OE1-OG 3.24Å
775	T	98.3	Very high	95.4	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-44.9	175.9	-51.1	0	0	0	0	111.1	C741 V772 S778 V779	C741-T775 HydrophobicContact CB-CG2 3.78Å; V772-T775 WeakPolarHBondContact O-CB 3.38Å; V772-T775 PolarHBondContact O-N 3.42Å; V772-T775 VanDerWaalsContact O-N 3.11Å; T775-S778 PolarHBondContact O-N 3.18Å; T775-V779 WeakPolarHBondContact O-CG2 3.27Å; T775-V779 PolarHBondContact O-N 3.45Å
776	V	98.3	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-47	176.6	172.9	0	0	0	0	110.9	W721 H755 F756 L768 V772 A773 V779 G780	W721-V776 HydrophobicContact CE3-CG2 4.25Å; W721-V776 HydrophobicContact CZ3-CG2 3.78Å; H755-V776 HydrophobicContact CB-CG1 3.96Å; H755-V776 HydrophobicContact CB-CG2 3.84Å; F756-V776 HydrophobicContact CB-CG1 3.77Å; F756-V776 HydrophobicContact CD2-CG1 4.2Å; L768-V776 HydrophobicContact CD1-CB 4.16Å; L768-V776 HydrophobicContact CD1-CG1 3.72Å; L768-V776 HydrophobicContact CD2-CG1 4.27Å; V772-V776 HydrophobicContact CG2-CG2 4.3Å; V772-V776 WeakPolarHBondContact O-CG2 3.21Å; V772-V776 PolarHBondContact O-N 3.2Å; A773-V776 PolarHBondContact O-N 3Å; V776-V779 PolarHBondContact O-N 3Å; V776-G780 PolarHBondContact O-N 3.28Å
777	F	98	Very high	96.3	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.022	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-39.9	176.9	-63.7	-30.4	0	0	0	112.1	F756 W759 L768 A773 E774 V779 G780 A781 L790 Q802 K805 I806 A809	F756-F777 HydrophobicContact CD2-CD1 4.33Å; F756-F777 HydrophobicContact CE2-CD1 4.27Å; W759-F777 HydrophobicContact CD2-CE1 4.21Å; W759-F777 HydrophobicContact CZ2-CE1 4.31Å; L768-F777 HydrophobicContact CD1-CD1 4.1Å; L768-F777 HydrophobicContact CD1-CE1 3.42Å; L768-F777 VanDerWaalsContact CD1-CE1 3.42Å; L768-F777 HydrophobicContact CD1-CZ 3.82Å; A773-F777 HydrophobicContact CB-CE2 4.18Å; A773-F777 WeakPolarHBondContact O-CB 3.33Å; A773-F777 WeakPolarHBondContact O-CD2 3.25Å; A773-F777 WeakPolarHBondContact O-CG 3.38Å; A773-F777 PolarHBondContact O-N 2.92Å; E774-F777 PolarHBondContact O-N 3.2Å; F777-V779 PolarHBondContact O-N 3.25Å; F777-G780 CarbonylContact O-C 3.58Å; F777-G780 PolarHBondContact O-N 3.05Å; F777-A781 VanDerWaalsContact O-CB 3.29Å; F777-A781 WeakPolarHBondContact O-CB 3.31Å; F777-A781 PolarHBondContact O-N 3.43Å; F777-L790 HydrophobicContact CB-CD1 4.17Å; F777-L790 HydrophobicContact CB-CD2 4.1Å; F777-L790 HydrophobicContact CD1-CD2 3.61Å; F777-L790 HydrophobicContact CE1-CD2 4.14Å; F777-L790 HydrophobicContact CG-CD2 3.86Å; F777-L790 WeakPolarHBondContact O-CD1 3.43Å; F777-Q802 HydrophobicContact CE2-CG 4.5Å; F777-K805 HydrophobicContact CD2-CB 4.33Å; F777-I806 HydrophobicContact CD2-CG1 3.95Å; F777-I806 HydrophobicContact CE2-CG1 3.97Å; F777-A809 VanDerWaalsContact C-CB 3.47Å; F777-A809 HydrophobicContact CB-CB 3.5Å; F777-A809 VanDerWaalsContact CB-CB 3.5Å
778	S	97.8	Very high	96.6	Very high	23 Å²	23	30.9 Å²	30.9	16%	0.161	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-40.2	-179.9	-61.2	0	0	0	0	112	E774 T775 Q782 A809 S812	E774-S778 WeakPolarHBondContact O-CB 3.31Å; E774-S778 PolarHBondContact O-N 2.85Å; E774-S778 PolarHBondContact O-OG 2.82Å; T775-S778 PolarHBondContact O-N 3.18Å; S778-Q782 WeakPolarHBondContact O-CG 3.45Å; S778-Q782 PolarHBondContact O-NE2 3.35Å; S778-A809 WeakPolarHBondContact OG-CA 3.39Å; S778-S812 PolarHBondContact O-OG 2.68Å
779	V	97.8	Very high	96.5	Very high	17 Å²	17	32.5 Å²	32.5	10%	0.103	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-42.8	172.5	174.2	0	0	0	0	110.8	C741 L749 A752 N753 T775 V776 F777 A781 Q782	C741-V779 HydrophobicContact CB-CG2 4.16Å; L749-V779 HydrophobicContact CD2-CG1 4.38Å; L749-V779 HydrophobicContact CD2-CG2 3.94Å; A752-V779 HydrophobicContact CB-CB 3.82Å; A752-V779 HydrophobicContact CB-CG1 3.95Å; A752-V779 HydrophobicContact CB-CG2 3.66Å; N753-V779 WeakPolarHBondContact OD1-CG1 3.15Å; T775-V779 WeakPolarHBondContact O-CG2 3.27Å; T775-V779 PolarHBondContact O-N 3.45Å; V776-V779 PolarHBondContact O-N 3Å; F777-V779 PolarHBondContact O-N 3.25Å; V779-A781 VanDerWaalsContact C-N 3.31Å; V779-A781 PolarHBondContact O-N 3.37Å; V779-Q782 WeakPolarHBondContact O-CB 3.31Å; V779-Q782 WeakPolarHBondContact O-CG 3.48Å; V779-Q782 PolarHBondContact O-N 3.11Å
780	G	96.5	Very high	96.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-32.6	176.7	0	0	0	0	0	114.4	F756 V776 F777 Q782 N783	F756-G780 VanDerWaalsContact CD1-CA 3.46Å; F756-G780 VanDerWaalsContact CE1-CA 3.44Å; V776-G780 PolarHBondContact O-N 3.28Å; F777-G780 CarbonylContact O-C 3.58Å; F777-G780 PolarHBondContact O-N 3.05Å; G780-Q782 PolarHBondContact O-N 3.39Å; G780-N783 PolarHBondContact O-ND2 3.13Å
781	A	96.9	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-6.3	-179.4	0	0	0	0	0	114.2	F777 V779 N783 L790 A809	F777-A781 VanDerWaalsContact O-CB 3.29Å; F777-A781 WeakPolarHBondContact O-CB 3.31Å; F777-A781 PolarHBondContact O-N 3.43Å; V779-A781 VanDerWaalsContact C-N 3.31Å; V779-A781 PolarHBondContact O-N 3.37Å; A781-N783 VanDerWaalsContact C-N 3.29Å; A781-N783 PolarHBondContact O-N 2.91Å; A781-L790 HydrophobicContact CB-CD1 3.77Å; A781-A809 HydrophobicContact CB-CB 4.5Å; A781-A809 WeakPolarHBondContact CB-O 3.42Å
782	Q	95.7	Very high	96.5	Very high	79 Å²	79	34.8 Å²	34.8	37%	0.369	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.9	179.6	-59.7	-53.2	-46.6	0	0	113.2	S778 V779 G780 S812	S778-Q782 WeakPolarHBondContact O-CG 3.45Å; S778-Q782 PolarHBondContact O-NE2 3.35Å; V779-Q782 WeakPolarHBondContact O-CB 3.31Å; V779-Q782 WeakPolarHBondContact O-CG 3.48Å; V779-Q782 PolarHBondContact O-N 3.11Å; G780-Q782 PolarHBondContact O-N 3.39Å; Q782-S812 PolarHBondContact NE2-O 2.86Å; Q782-S812 PolarHBondContact NE2-OG 2.92Å; Q782-S812 VanDerWaalsContact NE2-OG 3.12Å
783	N	92.6	Very high	96.4	Very high	70 Å²	70	36.1 Å²	36.1	37%	0.374	19%	0.191	S	C	.	.	S	Bend	trans	-107	153.5	174.1	70.1	73.6	0	0	0	111.8	G780 A781 H785 G786 W787	G780-N783 PolarHBondContact O-ND2 3.13Å; A781-N783 VanDerWaalsContact C-N 3.29Å; A781-N783 PolarHBondContact O-N 2.91Å; N783-H785 VanDerWaalsContact C-N 3.33Å; N783-H785 PolarHBondContact O-N 2.93Å; N783-H785 PolarHBondContact OD1-N 3.41Å; N783-G786 PolarHBondContact O-N 2.65Å; N783-G786 PolarHBondContact OD1-N 2.76Å; N783-W787 WeakPolarHBondContact O-CB 3.21Å; N783-W787 PolarHBondContact O-N 3.21Å
784	D	94.9	Very high	96.3	Very high	105 Å²	105	35.9 Å²	35.9	56%	0.561	19%	0.189	S	C	*	.	H	α-helix	trans	-60.5	-39.3	-173.2	-66.7	-7.6	0	0	0	113.8	T788 K818	D784-T788 WeakPolarHBondContact O-CB 3.46Å; D784-T788 PolarHBondContact O-N 3.16Å; D784-T788 PolarHBondContact O-OG1 3.18Å; D784-K818 WeakPolarHBondContact OD1-CE 2.65Å; D784-K818 IonicContact OD1-NZ 3.65Å; D784-K818 PolarHBondContact OD1-NZ 3.32Å
785	H	94.3	Very high	96.1	Very high	131 Å²	131	38.3 Å²	38.3	61%	0.606	20%	0.195	S	C	*	.	H	α-helix	trans	-66.6	-49.4	-179.2	-179.7	63.8	0	0	0	111.2	N783 T788 L789	N783-H785 VanDerWaalsContact C-N 3.33Å; N783-H785 PolarHBondContact O-N 2.93Å; N783-H785 PolarHBondContact OD1-N 3.41Å; H785-T788 PolarHBondContact O-N 3.17Å; H785-L789 WeakPolarHBondContact O-CB 3.36Å; H785-L789 PolarHBondContact O-N 3.35Å
786	G	95.4	Very high	95.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-43.9	178.1	0	0	0	0	0	112	N783 T788 L789 L790	N783-G786 PolarHBondContact O-N 2.65Å; N783-G786 PolarHBondContact OD1-N 2.76Å; G786-T788 PolarHBondContact O-N 3.4Å; G786-L789 PolarHBondContact O-N 3.06Å; G786-L790 WeakPolarHBondContact O-CB 3.39Å; G786-L790 VanDerWaalsContact O-CG 3.28Å; G786-L790 WeakPolarHBondContact O-CG 3.42Å; G786-L790 PolarHBondContact O-N 3.03Å
787	W	97.6	Very high	95.6	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.019	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-47.1	175.9	-168.2	99.2	0	0	0	112.2	N783 L789 L790 L791 L810 K818 L822	N783-W787 WeakPolarHBondContact O-CB 3.21Å; N783-W787 PolarHBondContact O-N 3.21Å; W787-L789 PolarHBondContact O-N 3.35Å; W787-L790 PolarHBondContact O-N 3.09Å; W787-L791 HydrophobicContact CE3-CB 4.5Å; W787-L791 HydrophobicContact CH2-CD2 3.75Å; W787-L791 HydrophobicContact CZ3-CB 4.24Å; W787-L791 HydrophobicContact CZ3-CD2 3.58Å; W787-L791 PolarHBondContact O-N 3.23Å; W787-L810 HydrophobicContact CD2-CD2 3.71Å; W787-L810 HydrophobicContact CE3-CD2 4.49Å; W787-L810 HydrophobicContact CG-CD2 3.72Å; W787-L810 HydrophobicContact CZ2-CD2 4.24Å; W787-L810 PolarHBondContact NE1-O 2.99Å; W787-L810 WeakPolarHBondContact O-CD2 3.3Å; W787-K818 HydrophobicContact CB-CD 4.32Å; W787-K818 HydrophobicContact CD2-CD 3.7Å; W787-K818 HydrophobicContact CD2-CG 4.37Å; W787-K818 HydrophobicContact CE3-CD 4.25Å; W787-K818 HydrophobicContact CG-CD 3.69Å; W787-K818 HydrophobicContact CZ2-CB 3.94Å; W787-K818 HydrophobicContact CZ2-CG 4.41Å; W787-L822 HydrophobicContact CH2-CD2 4.34Å; W787-L822 HydrophobicContact CZ2-CD1 4.16Å; W787-L822 HydrophobicContact CZ2-CD2 3.86Å; W787-L822 HydrophobicContact CZ2-CG 3.91Å
788	T	96.6	Very high	95.3	Very high	87 Å²	87	47.1 Å²	47.1	53%	0.534	24%	0.243	S	C	.	.	H	α-helix	trans	-63.7	-41.8	-179.8	-59	0	0	0	0	111.7	D784 H785 G786 L791 N792	D784-T788 WeakPolarHBondContact O-CB 3.46Å; D784-T788 PolarHBondContact O-N 3.16Å; D784-T788 PolarHBondContact O-OG1 3.18Å; H785-T788 PolarHBondContact O-N 3.17Å; G786-T788 PolarHBondContact O-N 3.4Å; T788-L791 PolarHBondContact O-N 2.06Å; T788-N792 PolarHBondContact O-N 3.46Å
789	L	94.9	Very high	95.2	Very high	46 Å²	46	46.2 Å²	46.2	24%	0.241	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-41	177.9	-176.2	71.6	0	0	0	112.1	W759 L760 H785 G786 W787 L791 N792 T793	W759-L789 HydrophobicContact CH2-CD2 4.32Å; W759-L789 HydrophobicContact CZ3-CD2 3.85Å; L760-L789 HydrophobicContact CD2-CD2 3.01Å; L760-L789 HydrophobicContact CD2-CG 4.44Å; L760-L789 HydrophobicContact CG-CD2 4.49Å; H785-L789 WeakPolarHBondContact O-CB 3.36Å; H785-L789 PolarHBondContact O-N 3.35Å; G786-L789 PolarHBondContact O-N 3.06Å; W787-L789 PolarHBondContact O-N 3.35Å; L789-L791 VanDerWaalsContact C-N 3.33Å; L789-L791 PolarHBondContact O-N 2.98Å; L789-N792 WeakPolarHBondContact O-CB 3.16Å; L789-N792 PolarHBondContact O-N 2.61Å; L789-N792 VanDerWaalsContact O-N 3.15Å; L789-T793 PolarHBondContact O-N 3.12Å; L789-T793 PolarHBondContact O-OG1 3.1Å
790	L	97.1	Very high	95	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-43.9	175.3	-78.6	172.2	0	0	0	110.8	F756 W759 F777 A781 G786 W787 N792 T793 Y794 I806 L810	F756-L790 HydrophobicContact CE2-CD1 4.15Å; F756-L790 HydrophobicContact CE2-CD2 4.19Å; F756-L790 HydrophobicContact CE2-CG 4.18Å; F756-L790 HydrophobicContact CZ-CD1 4.29Å; F756-L790 HydrophobicContact CZ-CG 4.32Å; W759-L790 HydrophobicContact CH2-CD2 4.28Å; W759-L790 HydrophobicContact CZ3-CD2 4.38Å; F777-L790 HydrophobicContact CB-CD1 4.17Å; F777-L790 HydrophobicContact CB-CD2 4.1Å; F777-L790 HydrophobicContact CD1-CD2 3.61Å; F777-L790 HydrophobicContact CE1-CD2 4.14Å; F777-L790 HydrophobicContact CG-CD2 3.86Å; F777-L790 WeakPolarHBondContact O-CD1 3.43Å; A781-L790 HydrophobicContact CB-CD1 3.77Å; G786-L790 WeakPolarHBondContact O-CB 3.39Å; G786-L790 VanDerWaalsContact O-CG 3.28Å; G786-L790 WeakPolarHBondContact O-CG 3.42Å; G786-L790 PolarHBondContact O-N 3.03Å; W787-L790 PolarHBondContact O-N 3.09Å; L790-N792 VanDerWaalsContact C-N 3.3Å; L790-N792 PolarHBondContact O-N 2.95Å; L790-T793 WeakPolarHBondContact O-CB 3.15Å; L790-T793 PolarHBondContact O-N 3.33Å; L790-T793 VanDerWaalsContact O-N 3.11Å; L790-Y794 WeakPolarHBondContact O-CB 3.35Å; L790-Y794 PolarHBondContact O-N 3.42Å; L790-I806 HydrophobicContact CB-CG2 3.98Å; L790-I806 HydrophobicContact CD2-CG1 4.18Å; L790-I806 HydrophobicContact CD2-CG2 4.35Å; L790-I806 WeakPolarHBondContact O-CG2 3.19Å; L790-L810 HydrophobicContact CB-CD2 3.84Å
791	L	97.3	Very high	94.9	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-37.9	173.9	-178.7	63	0	0	0	112.4	W787 T788 L789 R795 L810 M825	W787-L791 HydrophobicContact CE3-CB 4.5Å; W787-L791 HydrophobicContact CH2-CD2 3.75Å; W787-L791 HydrophobicContact CZ3-CB 4.24Å; W787-L791 HydrophobicContact CZ3-CD2 3.58Å; W787-L791 PolarHBondContact O-N 3.23Å; T788-L791 PolarHBondContact O-N 2.06Å; L789-L791 VanDerWaalsContact C-N 3.33Å; L789-L791 PolarHBondContact O-N 2.98Å; L791-R795 WeakPolarHBondContact O-CG 3.33Å; L791-R795 PolarHBondContact O-N 3.38Å; L791-L810 HydrophobicContact CB-CD1 4.23Å; L791-L810 HydrophobicContact CB-CD2 4.4Å; L791-L810 HydrophobicContact CD1-CD1 4.07Å; L791-M825 HydrophobicContact CD1-SD 4.4Å; L791-M825 HydrophobicContact CD2-CE 4.07Å; L791-M825 HydrophobicContact CD2-SD 4.37Å
792	N	95	Very high	94.9	Very high	77 Å²	77	48 Å²	48	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-66.2	-39.4	173.6	-172.6	55.1	0	0	0	112	T788 L789 L790 R795 N796	T788-N792 PolarHBondContact O-N 3.46Å; L789-N792 WeakPolarHBondContact O-CB 3.16Å; L789-N792 PolarHBondContact O-N 2.61Å; L789-N792 VanDerWaalsContact O-N 3.15Å; L790-N792 VanDerWaalsContact C-N 3.3Å; L790-N792 PolarHBondContact O-N 2.95Å; N792-R795 WeakPolarHBondContact O-CB 3.4Å; N792-R795 PolarHBondContact O-N 3.2Å; N792-N796 PolarHBondContact O-N 3.42Å; N792-N796 PolarHBondContact O-ND2 3.03Å; N792-N796 VanDerWaalsContact O-ND2 3.09Å
793	T	94.8	Very high	95	Very high	28 Å²	28	45 Å²	45	17%	0.172	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-42.7	177	-54.3	0	0	0	0	110.9	W759 L789 L790 R795 N796 S797 I806	W759-T793 HydrophobicContact CH2-CG2 4.26Å; W759-T793 HydrophobicContact CZ2-CG2 4.07Å; L789-T793 PolarHBondContact O-N 3.12Å; L789-T793 PolarHBondContact O-OG1 3.1Å; L790-T793 WeakPolarHBondContact O-CB 3.15Å; L790-T793 PolarHBondContact O-N 3.33Å; L790-T793 VanDerWaalsContact O-N 3.11Å; T793-R795 VanDerWaalsContact C-N 3.27Å; T793-R795 PolarHBondContact O-N 3.4Å; T793-N796 PolarHBondContact O-N 3.08Å; T793-N796 VanDerWaalsContact O-N 3.15Å; T793-S797 WeakPolarHBondContact O-CB 3.41Å; T793-S797 PolarHBondContact O-N 3.32Å; T793-I806 HydrophobicContact CG2-CD1 3.71Å
794	Y	95.9	Very high	95.1	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-55	-41.6	174.4	175.1	-87.2	0	0	0	112.4	L790 N796 K803 I806 L807 V831 I832	L790-Y794 WeakPolarHBondContact O-CB 3.35Å; L790-Y794 PolarHBondContact O-N 3.42Å; Y794-N796 VanDerWaalsContact C-N 3.3Å; Y794-N796 PolarHBondContact O-N 3.35Å; Y794-K803 HydrophobicContact CD2-CB 3.72Å; Y794-K803 HydrophobicContact CD2-CG 3.91Å; Y794-K803 WeakPolarHBondContact CD2-O 3.37Å; Y794-K803 HydrophobicContact CE2-CB 3.6Å; Y794-K803 HydrophobicContact CE2-CG 4.08Å; Y794-K803 WeakPolarHBondContact CE2-O 3.42Å; Y794-K803 HydrophobicContact CG-CG 4.45Å; Y794-I806 HydrophobicContact CD2-CB 4.47Å; Y794-I806 HydrophobicContact CD2-CG2 4.41Å; Y794-L807 HydrophobicContact CD2-CB 4.44Å; Y794-L807 HydrophobicContact CE2-CB 4.08Å; Y794-V831 WeakPolarHBondContact CE1-O 3.36Å; Y794-I832 HydrophobicContact CE1-CG1 4.05Å
795	R	93.4	Very high	95.2	Very high	118 Å²	118	39 Å²	39	45%	0.445	20%	0.199	S	C	.	.	H	α-helix	trans	-66.3	-30.7	179.9	-72.1	170.5	-179.2	-176.6	-1.9	113.7	L791 N792 T793 V831	L791-R795 WeakPolarHBondContact O-CG 3.33Å; L791-R795 PolarHBondContact O-N 3.38Å; N792-R795 WeakPolarHBondContact O-CB 3.4Å; N792-R795 PolarHBondContact O-N 3.2Å; T793-R795 VanDerWaalsContact C-N 3.27Å; T793-R795 PolarHBondContact O-N 3.4Å; R795-V831 HydrophobicContact CG-CG1 3.92Å
796	N	91.4	Very high	95.4	Very high	107 Å²	107	32.8 Å²	32.8	57%	0.572	17%	0.17	S	C	*	.	H	α-helix	trans	-104.3	-8.4	-172.1	-60	-34.5	0	0	0	113.1	N792 T793 Y794	N792-N796 PolarHBondContact O-N 3.42Å; N792-N796 PolarHBondContact O-ND2 3.03Å; N792-N796 VanDerWaalsContact O-ND2 3.09Å; T793-N796 PolarHBondContact O-N 3.08Å; T793-N796 VanDerWaalsContact O-N 3.15Å; Y794-N796 VanDerWaalsContact C-N 3.3Å; Y794-N796 PolarHBondContact O-N 3.35Å
797	S	92.7	Very high	95.5	Very high	18 Å²	18	32.8 Å²	32.8	13%	0.126	17%	0.17	C	C	.	.			trans	-74.9	135.8	-177.1	-175.8	0	0	0	0	111.8	T793 S799 Q802	T793-S797 WeakPolarHBondContact O-CB 3.41Å; T793-S797 PolarHBondContact O-N 3.32Å; S797-S799 PolarHBondContact OG-N 3.45Å; S797-S799 PolarHBondContact OG-O 2.88Å; S797-Q802 PolarHBondContact OG-OE1 3.22Å
798	L	93.1	Very high	95.5	Very high	68 Å²	68	32.9 Å²	32.9	36%	0.356	17%	0.172	S	C	.	.	S	Bend	trans	-90.4	-6.8	172.1	-64.6	177	0	0	0	112.7	E273 K274 Q277	E273-L798 HydrophobicContact CB-CD1 4.26Å; E273-L798 HydrophobicContact CB-CD2 4.45Å; K274-L798 VanDerWaalsContact CE-O 3.29Å; K274-L798 WeakPolarHBondContact CE-O 3.42Å; Q277-L798 PolarHBondContact NE2-O 3.35Å
799	S	94.8	Very high	95.6	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.028	15%	0.146	C	C	.	.			trans	-99.2	113.2	178.3	170.6	0	0	0	0	110	T337 S797 A801 Q802 K803	T337-S799 VanDerWaalsContact OG1-CB 3.27Å; T337-S799 WeakPolarHBondContact OG1-CB 3.25Å; T337-S799 PolarHBondContact OG1-OG 3.19Å; S797-S799 PolarHBondContact OG-N 3.45Å; S797-S799 PolarHBondContact OG-O 2.88Å; S799-A801 PolarHBondContact O-N 3.32Å; S799-A801 PolarHBondContact OG-N 3.38Å; S799-Q802 PolarHBondContact O-N 3.46Å; S799-Q802 PolarHBondContact OG-N 3.35Å; S799-Q802 VanDerWaalsContact OG-N 3.15Å; S799-K803 WeakPolarHBondContact O-CG 3.19Å; S799-K803 PolarHBondContact O-N 2.97Å
800	E	94.8	Very high	95.7	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-68	-28.6	175.6	-61.9	-57	137.5	0	0	112	K274 E328 T329 Q802 K803 N804	K274-E800 IonicContact NZ-OE1 3.54Å; K274-E800 PolarHBondContact NZ-OE1 3.15Å; E328-E800 HydrophobicContact CB-CB 4.39Å; E328-E800 HydrophobicContact CB-CG 3.7Å; E328-E800 HydrophobicContact CG-CG 4.48Å; E328-E800 VanDerWaalsContact OE2-CD 3.3Å; E328-E800 WeakPolarHBondContact OE2-CG 3.22Å; T329-E800 HydrophobicContact CG2-CB 3.53Å; E800-Q802 VanDerWaalsContact C-N 3.29Å; E800-Q802 PolarHBondContact O-N 3.21Å; E800-K803 PolarHBondContact O-N 3.28Å; E800-K803 IonicContact OE1-NZ 3.76Å; E800-K803 PolarHBondContact OE1-NZ 2.78Å; E800-K803 WeakPolarHBondContact OE2-CD 3.5Å; E800-K803 WeakPolarHBondContact OE2-CE 3.49Å; E800-K803 IonicContact OE2-NZ 2.89Å; E800-K803 PolarHBondContact OE2-NZ 2.91Å; E800-N804 WeakPolarHBondContact O-CB 3.44Å; E800-N804 PolarHBondContact O-N 2.83Å
801	A	94.5	Very high	95.8	Very high	11 Å²	11	26.8 Å²	26.8	9%	0.091	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-36.3	172.5	0	0	0	0	0	111.9	S338 S799 K805	S338-A801 WeakPolarHBondContact OG-CB 3.4Å; S799-A801 PolarHBondContact O-N 3.32Å; S799-A801 PolarHBondContact OG-N 3.38Å; A801-K805 WeakPolarHBondContact O-CG 3.36Å; A801-K805 PolarHBondContact O-N 3.29Å; A801-K805 PolarHBondContact O-NZ 3.04Å; A801-K805 VanDerWaalsContact O-NZ 3.07Å
802	Q	96	Very high	95.7	Very high	35 Å²	35	28.1 Å²	28.1	16%	0.164	15%	0.146	C	C	.	.	H	α-helix	trans	-72.7	-43.7	173.7	-165.9	-175.4	34.3	0	0	111.3	T337 F777 S797 S799 E800 N804 K805 I806	T337-Q802 HydrophobicContact CG2-CB 4.12Å; T337-Q802 HydrophobicContact CG2-CG 4.32Å; F777-Q802 HydrophobicContact CE2-CG 4.5Å; S797-Q802 PolarHBondContact OG-OE1 3.22Å; S799-Q802 PolarHBondContact O-N 3.46Å; S799-Q802 PolarHBondContact OG-N 3.35Å; S799-Q802 VanDerWaalsContact OG-N 3.15Å; E800-Q802 VanDerWaalsContact C-N 3.29Å; E800-Q802 PolarHBondContact O-N 3.21Å; Q802-N804 VanDerWaalsContact C-N 3.29Å; Q802-N804 PolarHBondContact O-N 3.46Å; Q802-K805 PolarHBondContact O-N 2.81Å; Q802-I806 HydrophobicContact CG-CD1 3.92Å; Q802-I806 HydrophobicContact CG-CG1 4.42Å; Q802-I806 WeakPolarHBondContact O-CG1 3.45Å; Q802-I806 PolarHBondContact O-N 3.46Å
803	K	97.1	Very high	95.8	Very high	17 Å²	17	24.5 Å²	24.5	7%	0.074	13%	0.127	C	C	.	.	H	α-helix	trans	-57.7	-41.8	177.2	-74.6	174	67.5	-150.8	0	111.9	Y794 S799 E800 I806 L807	Y794-K803 HydrophobicContact CD2-CB 3.72Å; Y794-K803 HydrophobicContact CD2-CG 3.91Å; Y794-K803 WeakPolarHBondContact CD2-O 3.37Å; Y794-K803 HydrophobicContact CE2-CB 3.6Å; Y794-K803 HydrophobicContact CE2-CG 4.08Å; Y794-K803 WeakPolarHBondContact CE2-O 3.42Å; Y794-K803 HydrophobicContact CG-CG 4.45Å; S799-K803 WeakPolarHBondContact O-CG 3.19Å; S799-K803 PolarHBondContact O-N 2.97Å; E800-K803 PolarHBondContact O-N 3.28Å; E800-K803 IonicContact OE1-NZ 3.76Å; E800-K803 PolarHBondContact OE1-NZ 2.78Å; E800-K803 WeakPolarHBondContact OE2-CD 3.5Å; E800-K803 WeakPolarHBondContact OE2-CE 3.49Å; E800-K803 IonicContact OE2-NZ 2.89Å; E800-K803 PolarHBondContact OE2-NZ 2.91Å; K803-I806 PolarHBondContact O-N 3.16Å; K803-L807 VanDerWaalsContact O-CB 3.31Å; K803-L807 WeakPolarHBondContact O-CB 3.21Å; K803-L807 PolarHBondContact O-N 3.48Å
804	N	96.1	Very high	95.8	Very high	36 Å²	36	29 Å²	29	19%	0.193	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-47.5	174.4	-79.9	-9	0	0	0	112.8	T329 E800 Q802 I806 L807 S808	T329-N804 VanDerWaalsContact CG2-ND2 3.26Å; T329-N804 WeakPolarHBondContact CG2-ND2 3.39Å; E800-N804 WeakPolarHBondContact O-CB 3.44Å; E800-N804 PolarHBondContact O-N 2.83Å; Q802-N804 VanDerWaalsContact C-N 3.29Å; Q802-N804 PolarHBondContact O-N 3.46Å; N804-I806 VanDerWaalsContact C-N 3.33Å; N804-I806 PolarHBondContact O-N 3.36Å; N804-L807 PolarHBondContact O-N 3.38Å; N804-S808 WeakPolarHBondContact O-CB 3.32Å; N804-S808 PolarHBondContact O-N 3.32Å
805	K	97.2	Very high	95.8	Very high	12 Å²	12	31.6 Å²	31.6	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-42	177.7	-67	177.7	-173	76.8	0	111.5	T337 D342 A773 E774 F777 A801 Q802 A809	T337-K805 PolarHBondContact O-NZ 3.37Å; D342-K805 IonicContact OD2-NZ 3.81Å; D342-K805 PolarHBondContact OD2-NZ 3.46Å; A773-K805 HydrophobicContact CB-CD 4.3Å; E774-K805 HydrophobicContact CB-CB 4.07Å; E774-K805 HydrophobicContact CB-CD 4.42Å; E774-K805 HydrophobicContact CB-CG 4.07Å; E774-K805 HydrophobicContact CG-CB 4.39Å; F777-K805 HydrophobicContact CD2-CB 4.33Å; A801-K805 WeakPolarHBondContact O-CG 3.36Å; A801-K805 PolarHBondContact O-N 3.29Å; A801-K805 PolarHBondContact O-NZ 3.04Å; A801-K805 VanDerWaalsContact O-NZ 3.07Å; Q802-K805 PolarHBondContact O-N 2.81Å; K805-A809 WeakPolarHBondContact O-CB 3.24Å; K805-A809 PolarHBondContact O-N 3.21Å
806	I	98.1	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-45	176.4	-66.8	170	0	0	0	110.6	F777 L790 T793 Y794 Q802 K803 N804 S808 A809 L810	F777-I806 HydrophobicContact CD2-CG1 3.95Å; F777-I806 HydrophobicContact CE2-CG1 3.97Å; L790-I806 HydrophobicContact CB-CG2 3.98Å; L790-I806 HydrophobicContact CD2-CG1 4.18Å; L790-I806 HydrophobicContact CD2-CG2 4.35Å; L790-I806 WeakPolarHBondContact O-CG2 3.19Å; T793-I806 HydrophobicContact CG2-CD1 3.71Å; Y794-I806 HydrophobicContact CD2-CB 4.47Å; Y794-I806 HydrophobicContact CD2-CG2 4.41Å; Q802-I806 HydrophobicContact CG-CD1 3.92Å; Q802-I806 HydrophobicContact CG-CG1 4.42Å; Q802-I806 WeakPolarHBondContact O-CG1 3.45Å; Q802-I806 PolarHBondContact O-N 3.46Å; K803-I806 PolarHBondContact O-N 3.16Å; N804-I806 VanDerWaalsContact C-N 3.33Å; N804-I806 PolarHBondContact O-N 3.36Å; I806-S808 VanDerWaalsContact C-N 3.34Å; I806-S808 PolarHBondContact O-N 3.5Å; I806-A809 CarbonylContact O-C 3.55Å; I806-A809 WeakPolarHBondContact O-CB 3.5Å; I806-A809 PolarHBondContact O-N 3.11Å; I806-L810 HydrophobicContact CG2-CD1 3.9Å; I806-L810 HydrophobicContact CG2-CG 4.09Å; I806-L810 VanDerWaalsContact O-CG 3.26Å; I806-L810 WeakPolarHBondContact O-CG 3.48Å; I806-L810 PolarHBondContact O-N 2.75Å
807	L	98.2	Very high	96.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-44.3	179.3	-172.4	60.9	0	0	0	111.1	Y794 K803 N804 L810 T811 I832 D836 L840	Y794-L807 HydrophobicContact CD2-CB 4.44Å; Y794-L807 HydrophobicContact CE2-CB 4.08Å; K803-L807 VanDerWaalsContact O-CB 3.31Å; K803-L807 WeakPolarHBondContact O-CB 3.21Å; K803-L807 PolarHBondContact O-N 3.48Å; N804-L807 PolarHBondContact O-N 3.38Å; L807-L810 PolarHBondContact O-N 3.5Å; L807-T811 WeakPolarHBondContact O-CG2 3.49Å; L807-T811 PolarHBondContact O-N 3.47Å; L807-T811 VanDerWaalsContact O-N 3.08Å; L807-I832 HydrophobicContact CD1-CD1 3.76Å; L807-I832 HydrophobicContact CD1-CG1 4.24Å; L807-I832 HydrophobicContact CD2-CG2 4.34Å; L807-D836 HydrophobicContact CD2-CB 4.27Å; L807-L840 HydrophobicContact CD1-CD1 3.98Å; L807-L840 HydrophobicContact CG-CD1 4.33Å
808	S	96.8	Very high	96.5	Very high	7 Å²	7	33 Å²	33	5%	0.049	16%	0.163	C	C	.	.	H	α-helix	trans	-55.6	-51.2	171.5	-172.1	0	0	0	0	111.1	E774 N804 I806 L810 T811 S812 M843	E774-S808 VanDerWaalsContact OE1-CB 3.23Å; E774-S808 WeakPolarHBondContact OE1-CB 3.4Å; E774-S808 PolarHBondContact OE1-OG 3.24Å; N804-S808 WeakPolarHBondContact O-CB 3.32Å; N804-S808 PolarHBondContact O-N 3.32Å; I806-S808 VanDerWaalsContact C-N 3.34Å; I806-S808 PolarHBondContact O-N 3.5Å; S808-L810 PolarHBondContact O-N 3.22Å; S808-T811 PolarHBondContact O-N 3.4Å; S808-T811 VanDerWaalsContact O-N 3.09Å; S808-T811 PolarHBondContact O-OG1 3.36Å; S808-S812 PolarHBondContact O-N 3.27Å; S808-M843 WeakPolarHBondContact OG-CE 3.45Å
809	A	97.9	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-42.3	177.4	0	0	0	0	0	113.5	F777 S778 A781 K805 I806 T811 S812	F777-A809 VanDerWaalsContact C-CB 3.47Å; F777-A809 HydrophobicContact CB-CB 3.5Å; F777-A809 VanDerWaalsContact CB-CB 3.5Å; S778-A809 WeakPolarHBondContact OG-CA 3.39Å; A781-A809 HydrophobicContact CB-CB 4.5Å; A781-A809 WeakPolarHBondContact CB-O 3.42Å; K805-A809 WeakPolarHBondContact O-CB 3.24Å; K805-A809 PolarHBondContact O-N 3.21Å; I806-A809 CarbonylContact O-C 3.55Å; I806-A809 WeakPolarHBondContact O-CB 3.5Å; I806-A809 PolarHBondContact O-N 3.11Å; A809-T811 VanDerWaalsContact C-N 3.27Å; A809-T811 PolarHBondContact O-N 2.99Å; A809-S812 WeakPolarHBondContact O-CB 3.38Å; A809-S812 PolarHBondContact O-N 3.33Å; A809-S812 VanDerWaalsContact O-N 3.1Å; A809-S812 PolarHBondContact O-OG 2.61Å
810	L	98.6	Very high	96.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-35.5	177.2	-67.9	171.6	0	0	0	111.7	W787 L790 L791 I806 L807 S808 S812 S813 L822	W787-L810 HydrophobicContact CD2-CD2 3.71Å; W787-L810 HydrophobicContact CE3-CD2 4.49Å; W787-L810 HydrophobicContact CG-CD2 3.72Å; W787-L810 HydrophobicContact CZ2-CD2 4.24Å; W787-L810 PolarHBondContact NE1-O 2.99Å; W787-L810 WeakPolarHBondContact O-CD2 3.3Å; L790-L810 HydrophobicContact CB-CD2 3.84Å; L791-L810 HydrophobicContact CB-CD1 4.23Å; L791-L810 HydrophobicContact CB-CD2 4.4Å; L791-L810 HydrophobicContact CD1-CD1 4.07Å; I806-L810 HydrophobicContact CG2-CD1 3.9Å; I806-L810 HydrophobicContact CG2-CG 4.09Å; I806-L810 VanDerWaalsContact O-CG 3.26Å; I806-L810 WeakPolarHBondContact O-CG 3.48Å; I806-L810 PolarHBondContact O-N 2.75Å; L807-L810 PolarHBondContact O-N 3.5Å; S808-L810 PolarHBondContact O-N 3.22Å; L810-S812 PolarHBondContact O-N 3.3Å; L810-S813 PolarHBondContact O-N 3.3Å; L810-L822 HydrophobicContact CB-CD1 3.97Å; L810-L822 HydrophobicContact CB-CD2 4.34Å; L810-L822 HydrophobicContact CD1-CD2 4.37Å
811	T	97.9	Very high	97	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-73.3	-14.4	176.7	70.5	0	0	0	0	113.4	L807 S808 A809 S813 L819 L822 L840 M843 I844 N847	L807-T811 WeakPolarHBondContact O-CG2 3.49Å; L807-T811 PolarHBondContact O-N 3.47Å; L807-T811 VanDerWaalsContact O-N 3.08Å; S808-T811 PolarHBondContact O-N 3.4Å; S808-T811 VanDerWaalsContact O-N 3.09Å; S808-T811 PolarHBondContact O-OG1 3.36Å; A809-T811 VanDerWaalsContact C-N 3.27Å; A809-T811 PolarHBondContact O-N 2.99Å; T811-S813 PolarHBondContact O-N 3.05Å; T811-L819 VanDerWaalsContact O-CD2 3.31Å; T811-L819 WeakPolarHBondContact O-CD2 3.33Å; T811-L822 HydrophobicContact CG2-CD1 4.15Å; T811-L840 HydrophobicContact CG2-CD1 3.46Å; T811-L840 VanDerWaalsContact CG2-CD1 3.46Å; T811-M843 HydrophobicContact CG2-CB 4.03Å; T811-I844 HydrophobicContact CG2-CD1 4.47Å; T811-I844 HydrophobicContact CG2-CG1 3.96Å; T811-N847 PolarHBondContact O-ND2 3.39Å
812	S	96.1	Very high	97.2	Very high	35 Å²	35	36.8 Å²	36.8	25%	0.245	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-4.9	175.3	80	0	0	0	0	113.6	S778 Q782 S808 A809 L810	S778-S812 PolarHBondContact O-OG 2.68Å; Q782-S812 PolarHBondContact NE2-O 2.86Å; Q782-S812 PolarHBondContact NE2-OG 2.92Å; Q782-S812 VanDerWaalsContact NE2-OG 3.12Å; S808-S812 PolarHBondContact O-N 3.27Å; A809-S812 WeakPolarHBondContact O-CB 3.38Å; A809-S812 PolarHBondContact O-N 3.33Å; A809-S812 VanDerWaalsContact O-N 3.1Å; A809-S812 PolarHBondContact O-OG 2.61Å; L810-S812 PolarHBondContact O-N 3.3Å
813	S	96.7	Very high	97.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	16%	0.163	C	C	.	.			trans	-61.1	141.1	-179.8	-166	0	0	0	0	112	L810 T811 D815 N847	L810-S813 PolarHBondContact O-N 3.3Å; T811-S813 PolarHBondContact O-N 3.05Å; S813-D815 VanDerWaalsContact C-N 3.28Å; S813-D815 PolarHBondContact OG-N 2.89Å; S813-N847 PolarHBondContact O-ND2 3.36Å
814	R	93.7	Very high	97.4	Very high	124 Å²	124	38.5 Å²	38.5	47%	0.468	18%	0.179	S	C	.	.	S	Bend	trans	-83.4	-5.1	173.7	-65.2	-180	173.2	179.1	-0.8	113.3	E744 K849	E744-R814 IonicContact OE1-CZ 3.24Å; E744-R814 VanDerWaalsContact OE1-CZ 3.24Å; E744-R814 IonicContact OE1-NH1 2.81Å; E744-R814 PolarHBondContact OE1-NH1 2.95Å; E744-R814 IonicContact OE1-NH2 2.72Å; E744-R814 PolarHBondContact OE1-NH2 2.84Å; R814-K849 HydrophobicContact CB-CG 4.32Å
815	D	96.9	Very high	97.5	Very high	55 Å²	55	37.4 Å²	37.4	29%	0.294	17%	0.173	S	C	.	.			trans	-86.7	113.9	179.7	-175.3	-20.3	0	0	0	111.2	S813 D817 K818 L819	S813-D815 VanDerWaalsContact C-N 3.28Å; S813-D815 PolarHBondContact OG-N 2.89Å; D815-D817 VanDerWaalsContact C-N 3.28Å; D815-D817 PolarHBondContact O-N 2.91Å; D815-D817 WeakPolarHBondContact OD1-CB 3.09Å; D815-D817 PolarHBondContact OD1-N 3.5Å; D815-K818 HydrophobicContact CB-CB 4.21Å; D815-K818 HydrophobicContact CB-CD 3.99Å; D815-K818 HydrophobicContact CB-CG 3.98Å; D815-K818 PolarHBondContact O-N 3.37Å; D815-K818 IonicContact OD2-NZ 3.63Å; D815-K818 PolarHBondContact OD2-NZ 2.94Å; D815-L819 WeakPolarHBondContact O-CG 2.93Å; D815-L819 PolarHBondContact O-N 3.34Å
816	K	96.7	Very high	97.5	Very high	121 Å²	121	36.9 Å²	36.9	53%	0.526	17%	0.171	S	C	.	.	H	α-helix	trans	-63.5	-31.5	-177.4	-67.4	-174.7	177	-176.7	0	113	L819 Q820 K849	K816-L819 PolarHBondContact O-N 3.5Å; K816-Q820 WeakPolarHBondContact O-CB 3.19Å; K816-Q820 PolarHBondContact O-N 3.08Å; K816-K849 WeakPolarHBondContact CE-O 3.33Å; K816-K849 HydrophobicContact CG-CB 4.39Å
817	D	97.2	Very high	97.4	Very high	130 Å²	130	38.5 Å²	38.5	70%	0.695	18%	0.179	S	C	*	.	H	α-helix	trans	-71.3	-37.1	-178.9	-65.3	-22.4	0	0	0	110.4	D815 Q820 R821	D815-D817 VanDerWaalsContact C-N 3.28Å; D815-D817 PolarHBondContact O-N 2.91Å; D815-D817 WeakPolarHBondContact OD1-CB 3.09Å; D815-D817 PolarHBondContact OD1-N 3.5Å; D817-Q820 PolarHBondContact O-N 3.02Å; D817-R821 VanDerWaalsContact O-CB 3.31Å; D817-R821 WeakPolarHBondContact O-CB 3.29Å; D817-R821 PolarHBondContact O-N 2.74Å
818	K	98	Very high	97.2	Very high	23 Å²	23	43.9 Å²	43.9	10%	0.1	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-43	172.7	-65.4	-174.1	-173.4	94.3	0	111.9	D784 W787 D815 R821 L822	D784-K818 WeakPolarHBondContact OD1-CE 2.65Å; D784-K818 IonicContact OD1-NZ 3.65Å; D784-K818 PolarHBondContact OD1-NZ 3.32Å; W787-K818 HydrophobicContact CB-CD 4.32Å; W787-K818 HydrophobicContact CD2-CD 3.7Å; W787-K818 HydrophobicContact CD2-CG 4.37Å; W787-K818 HydrophobicContact CE3-CD 4.25Å; W787-K818 HydrophobicContact CG-CD 3.69Å; W787-K818 HydrophobicContact CZ2-CB 3.94Å; W787-K818 HydrophobicContact CZ2-CG 4.41Å; D815-K818 HydrophobicContact CB-CB 4.21Å; D815-K818 HydrophobicContact CB-CD 3.99Å; D815-K818 HydrophobicContact CB-CG 3.98Å; D815-K818 PolarHBondContact O-N 3.37Å; D815-K818 IonicContact OD2-NZ 3.63Å; D815-K818 PolarHBondContact OD2-NZ 2.94Å; K818-R821 PolarHBondContact O-N 3.4Å; K818-L822 WeakPolarHBondContact O-CG 3.16Å; K818-L822 PolarHBondContact O-N 3.4Å; K818-L822 VanDerWaalsContact O-N 3.08Å
819	L	98.4	Very high	97.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-44.3	176.9	-61.2	178.5	0	0	0	111.6	T811 D815 K816 R821 L822 L823 I844 L853	T811-L819 VanDerWaalsContact O-CD2 3.31Å; T811-L819 WeakPolarHBondContact O-CD2 3.33Å; D815-L819 WeakPolarHBondContact O-CG 2.93Å; D815-L819 PolarHBondContact O-N 3.34Å; K816-L819 PolarHBondContact O-N 3.5Å; L819-R821 VanDerWaalsContact C-N 3.32Å; L819-R821 PolarHBondContact O-N 3.35Å; L819-L822 PolarHBondContact O-N 2.92Å; L819-L823 PolarHBondContact O-N 3.46Å; L819-L823 VanDerWaalsContact O-N 3.16Å; L819-I844 HydrophobicContact CB-CD1 4.45Å; L819-I844 HydrophobicContact CB-CG2 4.18Å; L819-I844 HydrophobicContact CD1-CG2 4.41Å; L819-I844 HydrophobicContact CD2-CG1 4.28Å; L819-I844 WeakPolarHBondContact O-CD1 3.46Å; L819-L853 HydrophobicContact CB-CD2 3.71Å
820	Q	98.3	Very high	96.7	Very high	46 Å²	46	51 Å²	51	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-44.7	176.3	178.8	57.7	33.1	0	0	111	K816 D817 L822 L823 E824 L853	K816-Q820 WeakPolarHBondContact O-CB 3.19Å; K816-Q820 PolarHBondContact O-N 3.08Å; D817-Q820 PolarHBondContact O-N 3.02Å; Q820-L822 VanDerWaalsContact C-N 3.3Å; Q820-L822 PolarHBondContact O-N 3.27Å; Q820-L823 WeakPolarHBondContact O-CB 3.46Å; Q820-L823 PolarHBondContact O-N 2.93Å; Q820-E824 WeakPolarHBondContact CG-OE1 3.37Å; Q820-E824 PolarHBondContact NE2-OE1 3.4Å; Q820-E824 WeakPolarHBondContact O-CG 3.41Å; Q820-E824 PolarHBondContact O-N 3.19Å; Q820-L853 HydrophobicContact CB-CD1 4.45Å; Q820-L853 HydrophobicContact CB-CD2 4.13Å; Q820-L853 VanDerWaalsContact OE1-CD1 3.32Å
821	R	97.8	Very high	96.4	Very high	125 Å²	125	53.2 Å²	53.2	47%	0.472	26%	0.26	S	S	.	.	H	α-helix	trans	-60.7	-36.3	176.9	-176.3	174.9	-171.9	-174.7	1.2	112.9	D817 K818 L819 M825	D817-R821 VanDerWaalsContact O-CB 3.31Å; D817-R821 WeakPolarHBondContact O-CB 3.29Å; D817-R821 PolarHBondContact O-N 2.74Å; K818-R821 PolarHBondContact O-N 3.4Å; L819-R821 VanDerWaalsContact C-N 3.32Å; L819-R821 PolarHBondContact O-N 3.35Å; R821-M825 HydrophobicContact CG-CE 3.67Å; R821-M825 WeakPolarHBondContact O-CG 3.38Å; R821-M825 PolarHBondContact O-N 3.46Å
822	L	98.4	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-46.4	174.8	-68.6	170	0	0	0	111	W787 L810 T811 K818 L819 Q820 E824 M825 G826 I832 L840 I844	W787-L822 HydrophobicContact CH2-CD2 4.34Å; W787-L822 HydrophobicContact CZ2-CD1 4.16Å; W787-L822 HydrophobicContact CZ2-CD2 3.86Å; W787-L822 HydrophobicContact CZ2-CG 3.91Å; L810-L822 HydrophobicContact CB-CD1 3.97Å; L810-L822 HydrophobicContact CB-CD2 4.34Å; L810-L822 HydrophobicContact CD1-CD2 4.37Å; T811-L822 HydrophobicContact CG2-CD1 4.15Å; K818-L822 WeakPolarHBondContact O-CG 3.16Å; K818-L822 PolarHBondContact O-N 3.4Å; K818-L822 VanDerWaalsContact O-N 3.08Å; L819-L822 PolarHBondContact O-N 2.92Å; Q820-L822 VanDerWaalsContact C-N 3.3Å; Q820-L822 PolarHBondContact O-N 3.27Å; L822-E824 VanDerWaalsContact C-N 3.27Å; L822-E824 PolarHBondContact O-N 2.61Å; L822-M825 PolarHBondContact O-N 3.01Å; L822-G826 PolarHBondContact O-N 3.48Å; L822-I832 HydrophobicContact CD2-CD1 3.89Å; L822-L840 HydrophobicContact CB-CD1 4.14Å; L822-L840 HydrophobicContact CB-CD2 4.31Å; L822-L840 WeakPolarHBondContact O-CD2 3.46Å; L822-I844 HydrophobicContact CB-CD1 4.06Å
823	L	98.4	Very high	96.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.7	-43.1	177.6	-67.6	169.4	0	0	0	111.6	L819 Q820 G826 L827 I841 I844 L853 F857	L819-L823 PolarHBondContact O-N 3.46Å; L819-L823 VanDerWaalsContact O-N 3.16Å; Q820-L823 WeakPolarHBondContact O-CB 3.46Å; Q820-L823 PolarHBondContact O-N 2.93Å; L823-G826 PolarHBondContact O-N 2.99Å; L823-L827 PolarHBondContact O-N 3.25Å; L823-I841 HydrophobicContact CD2-CB 4.46Å; L823-I841 HydrophobicContact CD2-CG1 3.74Å; L823-I844 HydrophobicContact CD1-CD1 4.37Å; L823-I844 HydrophobicContact CD1-CG2 4.35Å; L823-I844 HydrophobicContact CD2-CD1 3.67Å; L823-I844 HydrophobicContact CG-CD1 3.61Å; L823-L853 HydrophobicContact CD1-CD2 4.37Å; L823-L853 HydrophobicContact CD1-CG 4.2Å; L823-F857 HydrophobicContact CB-CD1 4.43Å; L823-F857 HydrophobicContact CB-CD2 3.74Å; L823-F857 HydrophobicContact CB-CE1 4.39Å; L823-F857 HydrophobicContact CB-CE2 3.67Å; L823-F857 HydrophobicContact CB-CG 4.13Å; L823-F857 HydrophobicContact CB-CZ 4.01Å; L823-F857 HydrophobicContact CD1-CB 3.86Å; L823-F857 HydrophobicContact CD1-CD1 4.47Å; L823-F857 HydrophobicContact CD1-CD2 4.06Å; L823-F857 HydrophobicContact CD1-CG 3.87Å; L823-F857 HydrophobicContact CD2-CD1 4.2Å; L823-F857 HydrophobicContact CD2-CE1 4.45Å; L823-F857 HydrophobicContact CD2-CG 4.4Å; L823-F857 HydrophobicContact CG-CD2 4.41Å; L823-F857 HydrophobicContact CG-CG 4.37Å
824	E	97.9	Very high	96.1	Very high	87 Å²	87	53.8 Å²	53.8	41%	0.407	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-48.8	175.5	-70.4	165.6	-177.1	0	0	111.6	Q820 L822 G826 L827 E828	Q820-E824 WeakPolarHBondContact CG-OE1 3.37Å; Q820-E824 PolarHBondContact NE2-OE1 3.4Å; Q820-E824 WeakPolarHBondContact O-CG 3.41Å; Q820-E824 PolarHBondContact O-N 3.19Å; L822-E824 VanDerWaalsContact C-N 3.27Å; L822-E824 PolarHBondContact O-N 2.61Å; E824-G826 VanDerWaalsContact C-N 3.31Å; E824-G826 PolarHBondContact O-N 3.43Å; E824-L827 PolarHBondContact O-N 2.97Å; E824-E828 WeakPolarHBondContact O-CG 3.27Å; E824-E828 PolarHBondContact O-N 3.23Å
825	M	97.8	Very high	96.1	Very high	14 Å²	14	48.1 Å²	48.1	7%	0.069	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-38.3	176.8	-74.7	179.4	-171.4	0	0	113.3	L791 R821 L822 G829 V831 I832	L791-M825 HydrophobicContact CD1-SD 4.4Å; L791-M825 HydrophobicContact CD2-CE 4.07Å; L791-M825 HydrophobicContact CD2-SD 4.37Å; R821-M825 HydrophobicContact CG-CE 3.67Å; R821-M825 WeakPolarHBondContact O-CG 3.38Å; R821-M825 PolarHBondContact O-N 3.46Å; L822-M825 PolarHBondContact O-N 3.01Å; M825-G829 PolarHBondContact O-N 3.48Å; M825-G829 VanDerWaalsContact O-N 3.1Å; M825-V831 HydrophobicContact SD-CG1 4.41Å; M825-I832 HydrophobicContact CB-CD1 3.93Å; M825-I832 HydrophobicContact CB-CG1 4.33Å
826	G	96.9	Very high	96.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.1	-36.4	177.4	0	0	0	0	0	112.8	L822 L823 E824 G829	L822-G826 PolarHBondContact O-N 3.48Å; L823-G826 PolarHBondContact O-N 2.99Å; E824-G826 VanDerWaalsContact C-N 3.31Å; E824-G826 PolarHBondContact O-N 3.43Å; G826-G829 PolarHBondContact O-N 3.37Å
827	L	96.3	Very high	96.1	Very high	34 Å²	34	40.1 Å²	40.1	18%	0.178	20%	0.2	C	C	.	.	H	α-helix	trans	-69.6	-41.4	175.9	-171.3	65.8	0	0	0	111.7	L823 E824 G829 L837 F857 N861 A864 L865 K868	L823-L827 PolarHBondContact O-N 3.25Å; E824-L827 PolarHBondContact O-N 2.97Å; L827-G829 VanDerWaalsContact C-N 3.3Å; L827-G829 PolarHBondContact O-N 3.11Å; L827-L837 HydrophobicContact CB-CD2 4.45Å; L827-L837 HydrophobicContact CD1-CD2 3.89Å; L827-F857 HydrophobicContact CB-CZ 4.01Å; L827-F857 HydrophobicContact CD2-CE2 4.33Å; L827-F857 HydrophobicContact CD2-CZ 3.91Å; L827-F857 HydrophobicContact CG-CZ 4.37Å; L827-N861 HydrophobicContact CD2-CB 4.25Å; L827-A864 HydrophobicContact CD1-CB 4.29Å; L827-L865 HydrophobicContact CD1-CD2 4.36Å; L827-K868 HydrophobicContact CD1-CD 4.36Å; L827-K868 WeakPolarHBondContact O-CE 3.37Å; L827-K868 PolarHBondContact O-NZ 3.21Å
828	E	95.4	Very high	96	Very high	115 Å²	115	34.3 Å²	34.3	54%	0.537	17%	0.17	S	C	.	.	H	α-helix	trans	-60	-39.9	173.7	-73.5	173	-169.9	0	0	111.9	E824 N830	E824-E828 WeakPolarHBondContact O-CG 3.27Å; E824-E828 PolarHBondContact O-N 3.23Å; E828-N830 VanDerWaalsContact C-N 3.3Å; E828-N830 PolarHBondContact O-N 3.44Å
829	G	93.6	Very high	95.8	Very high	20 Å²	20	35.3 Å²	35.3	21%	0.206	17%	0.173	C	C	.	.			trans	82.2	0.8	176.9	0	0	0	0	0	115.2	M825 G826 L827 I832 S834	M825-G829 PolarHBondContact O-N 3.48Å; M825-G829 VanDerWaalsContact O-N 3.1Å; G826-G829 PolarHBondContact O-N 3.37Å; L827-G829 VanDerWaalsContact C-N 3.3Å; L827-G829 PolarHBondContact O-N 3.11Å; G829-I832 CarbonylContact C-O 3.56Å; G829-I832 VanDerWaalsContact C-O 3.29Å; G829-I832 WeakPolarHBondContact CA-O 3.26Å; G829-S834 WeakPolarHBondContact CA-OG 3.46Å
830	N	89.9	Confident	95.8	Very high	137 Å²	137	35.3 Å²	35.3	73%	0.733	17%	0.173	S	C	*	.	S	Bend	trans	-84.2	-49.5	-173.8	-66.9	-38.1	0	0	0	113.4	E828	E828-N830 VanDerWaalsContact C-N 3.3Å; E828-N830 PolarHBondContact O-N 3.44Å
831	V	92.8	Very high	95.8	Very high	47 Å²	47	33.1 Å²	33.1	29%	0.285	16%	0.163	S	C	.	.	S	Bend	trans	-92.6	-53.8	-179.6	175.7	0	0	0	0	109.8	Y794 R795 M825	Y794-V831 WeakPolarHBondContact CE1-O 3.36Å; R795-V831 HydrophobicContact CG-CG1 3.92Å; M825-V831 HydrophobicContact SD-CG1 4.41Å
832	I	96.2	Very high	95.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-97	121	170.9	-61.5	167.5	0	0	0	105.7	Y794 L807 L822 M825 G829 D836 L840	Y794-I832 HydrophobicContact CE1-CG1 4.05Å; L807-I832 HydrophobicContact CD1-CD1 3.76Å; L807-I832 HydrophobicContact CD1-CG1 4.24Å; L807-I832 HydrophobicContact CD2-CG2 4.34Å; L822-I832 HydrophobicContact CD2-CD1 3.89Å; M825-I832 HydrophobicContact CB-CD1 3.93Å; M825-I832 HydrophobicContact CB-CG1 4.33Å; G829-I832 CarbonylContact C-O 3.56Å; G829-I832 VanDerWaalsContact C-O 3.29Å; G829-I832 WeakPolarHBondContact CA-O 3.26Å; I832-D836 HydrophobicContact CG2-CB 4.1Å; I832-L840 HydrophobicContact CD1-CD2 4.13Å; I832-L840 HydrophobicContact CG2-CD2 4.44Å
833	R	94.2	Very high	95.6	Very high	36 Å²	36	29.2 Å²	29.2	14%	0.136	15%	0.151	C	C	.	.			trans	-63.3	143.5	-176.8	-67.4	-179.9	178.6	-85.7	5.1	109.6	T165 P311 D312 Q835 D836	T165-R833 PolarHBondContact O-NH1 2.81Å; T165-R833 PolarHBondContact O-NH2 2.94Å; P311-R833 WeakPolarHBondContact O-CD 3.45Å; D312-R833 IonicContact OD1-CZ 2.81Å; D312-R833 IonicContact OD1-NH1 3.62Å; D312-R833 PolarHBondContact OD1-NH1 3.08Å; D312-R833 IonicContact OD2-NH1 3.32Å; D312-R833 PolarHBondContact OD2-NH1 3.25Å; R833-Q835 HydrophobicContact CB-CG 3.93Å; R833-Q835 PolarHBondContact O-N 2.73Å; R833-Q835 VanDerWaalsContact O-N 3.07Å; R833-D836 PolarHBondContact O-N 3.12Å
834	S	93.9	Very high	95.5	Very high	16 Å²	16	29.2 Å²	29.2	11%	0.112	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-59.7	-24	-179.8	-70.6	0	0	0	0	113.2	G829 D836 L837 K868 F869	G829-S834 WeakPolarHBondContact CA-OG 3.46Å; S834-D836 PolarHBondContact O-N 2.95Å; S834-D836 VanDerWaalsContact O-N 3.17Å; S834-L837 VanDerWaalsContact O-CB 3.28Å; S834-L837 WeakPolarHBondContact O-CB 3.43Å; S834-L837 PolarHBondContact O-N 2.8Å; S834-L837 VanDerWaalsContact O-N 3.15Å; S834-K868 PolarHBondContact OG-NZ 3Å; S834-K868 VanDerWaalsContact OG-NZ 3.1Å; S834-F869 WeakPolarHBondContact O-CZ 3.4Å
835	Q	93.4	Very high	95.4	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-59.9	-24.1	174	76.2	179.8	15.3	0	0	113.3	F158 P311 D312 F313 R327 R833	F158-Q835 HydrophobicContact CE1-CB 4.01Å; F158-Q835 HydrophobicContact CZ-CB 4.12Å; P311-Q835 PolarHBondContact O-NE2 2.85Å; P311-Q835 PolarHBondContact O-OE1 3.05Å; P311-Q835 VanDerWaalsContact O-OE1 3.11Å; D312-Q835 VanDerWaalsContact CA-OE1 3.28Å; F313-Q835 PolarHBondContact O-OE1 2.9Å; R327-Q835 PolarHBondContact NH1-O 2.99Å; R327-Q835 PolarHBondContact NH2-O 3.48Å; R833-Q835 HydrophobicContact CB-CG 3.93Å; R833-Q835 PolarHBondContact O-N 2.73Å; R833-Q835 VanDerWaalsContact O-N 3.07Å
836	D	95.7	Very high	95.1	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.037	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-96.5	-4.5	-177.8	-58.7	-40.9	0	0	0	112.4	R327 L807 I832 R833 S834 S838 Y839 L840	R327-D836 IonicContact NH1-OD1 3.77Å; R327-D836 PolarHBondContact NH1-OD1 3.09Å; L807-D836 HydrophobicContact CD2-CB 4.27Å; I832-D836 HydrophobicContact CG2-CB 4.1Å; R833-D836 PolarHBondContact O-N 3.12Å; S834-D836 PolarHBondContact O-N 2.95Å; S834-D836 VanDerWaalsContact O-N 3.17Å; D836-S838 PolarHBondContact O-N 3.27Å; D836-Y839 PolarHBondContact O-N 3.29Å; D836-L840 VanDerWaalsContact O-CB 3.3Å; D836-L840 WeakPolarHBondContact O-CB 3.27Å; D836-L840 PolarHBondContact O-N 3.05Å
837	L	96.7	Very high	94.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-43.2	-176.4	177.1	56.9	0	0	0	112.8	L827 S834 Y839 L840 I841 L865 K868 F869	L827-L837 HydrophobicContact CB-CD2 4.45Å; L827-L837 HydrophobicContact CD1-CD2 3.89Å; S834-L837 VanDerWaalsContact O-CB 3.28Å; S834-L837 WeakPolarHBondContact O-CB 3.43Å; S834-L837 PolarHBondContact O-N 2.8Å; S834-L837 VanDerWaalsContact O-N 3.15Å; L837-Y839 VanDerWaalsContact C-N 3.34Å; L837-Y839 PolarHBondContact O-N 3.29Å; L837-L840 PolarHBondContact O-N 2.76Å; L837-I841 HydrophobicContact CD1-CD1 3.79Å; L837-I841 HydrophobicContact CD1-CG1 3.99Å; L837-I841 HydrophobicContact CG-CD1 3.9Å; L837-I841 VanDerWaalsContact O-CG1 3.28Å; L837-I841 WeakPolarHBondContact O-CG1 3.03Å; L837-I841 PolarHBondContact O-N 3.47Å; L837-L865 HydrophobicContact CD2-CD2 3.76Å; L837-L865 HydrophobicContact CG-CD2 4.35Å; L837-K868 HydrophobicContact CD2-CD 4.4Å; L837-F869 HydrophobicContact CB-CE2 4.44Å; L837-F869 HydrophobicContact CB-CZ 4.25Å; L837-F869 HydrophobicContact CD2-CE2 4.17Å; L837-F869 HydrophobicContact CG-CE2 4.47Å
838	S	95.8	Very high	94.6	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.063	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-40.9	179.1	64.3	0	0	0	0	111.8	D836 L842	D836-S838 PolarHBondContact O-N 3.27Å; S838-L842 PolarHBondContact O-N 3.28Å
839	Y	94.7	Very high	94.4	Very high	43 Å²	43	27.9 Å²	27.9	17%	0.169	14%	0.142	C	C	.	.	H	α-helix	trans	-66.1	-43.7	174.1	176.2	-105.8	0	0	0	111.6	I2 D836 L837 I841 L842 M843	I2-Y839 HydrophobicContact CD1-CE2 3.74Å; D836-Y839 PolarHBondContact O-N 3.29Å; L837-Y839 VanDerWaalsContact C-N 3.34Å; L837-Y839 PolarHBondContact O-N 3.29Å; Y839-I841 PolarHBondContact O-N 3.05Å; Y839-L842 WeakPolarHBondContact O-CB 3.41Å; Y839-L842 PolarHBondContact O-N 2.84Å; Y839-M843 HydrophobicContact CD1-CG 4.16Å; Y839-M843 HydrophobicContact CD2-CG 4.2Å; Y839-M843 HydrophobicContact CE1-CG 3.7Å; Y839-M843 HydrophobicContact CE2-CG 3.75Å; Y839-M843 HydrophobicContact CE2-SD 3.83Å; Y839-M843 HydrophobicContact CG-CG 4.4Å; Y839-M843 VanDerWaalsContact CZ-CG 3.47Å; Y839-M843 WeakPolarHBondContact O-CG 3.12Å; Y839-M843 PolarHBondContact O-N 2.78Å
840	L	97.6	Very high	94.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.8	-47.3	178.5	178.3	64.9	0	0	0	112.1	L807 T811 L822 I832 D836 L837 L842 M843 I844	L807-L840 HydrophobicContact CD1-CD1 3.98Å; L807-L840 HydrophobicContact CG-CD1 4.33Å; T811-L840 HydrophobicContact CG2-CD1 3.46Å; T811-L840 VanDerWaalsContact CG2-CD1 3.46Å; L822-L840 HydrophobicContact CB-CD1 4.14Å; L822-L840 HydrophobicContact CB-CD2 4.31Å; L822-L840 WeakPolarHBondContact O-CD2 3.46Å; I832-L840 HydrophobicContact CD1-CD2 4.13Å; I832-L840 HydrophobicContact CG2-CD2 4.44Å; D836-L840 VanDerWaalsContact O-CB 3.3Å; D836-L840 WeakPolarHBondContact O-CB 3.27Å; D836-L840 PolarHBondContact O-N 3.05Å; L837-L840 PolarHBondContact O-N 2.76Å; L840-L842 VanDerWaalsContact C-N 3.3Å; L840-L842 PolarHBondContact O-N 2.92Å; L840-M843 PolarHBondContact O-N 2.94Å; L840-I844 HydrophobicContact CD1-CD1 3.92Å; L840-I844 HydrophobicContact CD1-CG1 4.38Å; L840-I844 HydrophobicContact CG-CD1 4.1Å; L840-I844 WeakPolarHBondContact O-CG1 2.86Å; L840-I844 PolarHBondContact O-N 3.36Å
841	I	98.3	Very high	94.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58	-45.4	175.7	-70.6	165.1	0	0	0	110.2	L823 L837 Y839 I844 A845 A854 F857 V858 L865 I879 T883	L823-I841 HydrophobicContact CD2-CB 4.46Å; L823-I841 HydrophobicContact CD2-CG1 3.74Å; L837-I841 HydrophobicContact CD1-CD1 3.79Å; L837-I841 HydrophobicContact CD1-CG1 3.99Å; L837-I841 HydrophobicContact CG-CD1 3.9Å; L837-I841 VanDerWaalsContact O-CG1 3.28Å; L837-I841 WeakPolarHBondContact O-CG1 3.03Å; L837-I841 PolarHBondContact O-N 3.47Å; Y839-I841 PolarHBondContact O-N 3.05Å; I841-I844 PolarHBondContact O-N 3.34Å; I841-A845 VanDerWaalsContact O-CB 3.31Å; I841-A845 WeakPolarHBondContact O-CB 3.4Å; I841-A845 PolarHBondContact O-N 3.02Å; I841-A854 HydrophobicContact CG2-CB 4.47Å; I841-F857 HydrophobicContact CD1-CD1 4.32Å; I841-F857 HydrophobicContact CD1-CE1 4.03Å; I841-F857 HydrophobicContact CG1-CD1 4.36Å; I841-F857 HydrophobicContact CG1-CE1 4.29Å; I841-V858 HydrophobicContact CG2-CG2 3.91Å; I841-L865 HydrophobicContact CD1-CD2 4Å; I841-I879 HydrophobicContact CD1-CD1 4.03Å; I841-I879 HydrophobicContact CD1-CG1 4Å; I841-T883 HydrophobicContact CG2-CG2 3.4Å
842	L	96.1	Very high	94.6	Very high	12 Å²	12	23.4 Å²	23.4	6%	0.063	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-45.2	177.4	170.2	67	0	0	0	112.3	V4 S838 Y839 L840 A845 R846 Q885	V4-L842 HydrophobicContact CG2-CD2 4.49Å; S838-L842 PolarHBondContact O-N 3.28Å; Y839-L842 WeakPolarHBondContact O-CB 3.41Å; Y839-L842 PolarHBondContact O-N 2.84Å; L840-L842 VanDerWaalsContact C-N 3.3Å; L840-L842 PolarHBondContact O-N 2.92Å; L842-A845 WeakPolarHBondContact O-CB 3.31Å; L842-A845 PolarHBondContact O-N 3.12Å; L842-R846 WeakPolarHBondContact O-CG 3.35Å; L842-R846 PolarHBondContact O-N 3.42Å; L842-Q885 VanDerWaalsContact CD1-NE2 3.29Å
843	M	95.9	Very high	94.6	Very high	31 Å²	31	25.2 Å²	25.2	15%	0.153	12%	0.117	C	C	.	.	H	α-helix	trans	-66	-40.5	-179.5	-68.8	-55.8	-70.4	0	0	111.9	S808 T811 Y839 L840 A845 R846 N847	S808-M843 WeakPolarHBondContact OG-CE 3.45Å; T811-M843 HydrophobicContact CG2-CB 4.03Å; Y839-M843 HydrophobicContact CD1-CG 4.16Å; Y839-M843 HydrophobicContact CD2-CG 4.2Å; Y839-M843 HydrophobicContact CE1-CG 3.7Å; Y839-M843 HydrophobicContact CE2-CG 3.75Å; Y839-M843 HydrophobicContact CE2-SD 3.83Å; Y839-M843 HydrophobicContact CG-CG 4.4Å; Y839-M843 VanDerWaalsContact CZ-CG 3.47Å; Y839-M843 WeakPolarHBondContact O-CG 3.12Å; Y839-M843 PolarHBondContact O-N 2.78Å; L840-M843 PolarHBondContact O-N 2.94Å; M843-A845 VanDerWaalsContact C-N 3.33Å; M843-R846 PolarHBondContact O-N 3.24Å; M843-N847 PolarHBondContact O-N 3.14Å
844	I	97.4	Very high	94.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.8	-34.7	174.7	-64.3	176.4	0	0	0	111	T811 L819 L822 L823 L840 I841 R846 N847 G850 H851 A854	T811-I844 HydrophobicContact CG2-CD1 4.47Å; T811-I844 HydrophobicContact CG2-CG1 3.96Å; L819-I844 HydrophobicContact CB-CD1 4.45Å; L819-I844 HydrophobicContact CB-CG2 4.18Å; L819-I844 HydrophobicContact CD1-CG2 4.41Å; L819-I844 HydrophobicContact CD2-CG1 4.28Å; L819-I844 WeakPolarHBondContact O-CD1 3.46Å; L822-I844 HydrophobicContact CB-CD1 4.06Å; L823-I844 HydrophobicContact CD1-CD1 4.37Å; L823-I844 HydrophobicContact CD1-CG2 4.35Å; L823-I844 HydrophobicContact CD2-CD1 3.67Å; L823-I844 HydrophobicContact CG-CD1 3.61Å; L840-I844 HydrophobicContact CD1-CD1 3.92Å; L840-I844 HydrophobicContact CD1-CG1 4.38Å; L840-I844 HydrophobicContact CG-CD1 4.1Å; L840-I844 WeakPolarHBondContact O-CG1 2.86Å; L840-I844 PolarHBondContact O-N 3.36Å; I841-I844 PolarHBondContact O-N 3.34Å; I844-R846 PolarHBondContact O-N 2.92Å; I844-N847 WeakPolarHBondContact O-CB 3.26Å; I844-N847 PolarHBondContact O-N 3.2Å; I844-G850 CarbonylContact O-C 3.55Å; I844-G850 VanDerWaalsContact O-CA 3.28Å; I844-G850 WeakPolarHBondContact O-CA 3.2Å; I844-H851 PolarHBondContact O-N 3.49Å; I844-A854 HydrophobicContact CB-CB 4.48Å; I844-A854 HydrophobicContact CG2-CB 4.16Å
845	A	95.8	Very high	95	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-62.9	-32.9	174.1	0	0	0	0	0	112.7	K694 I841 L842 M843 H851 A854 T883 Q886	K694-A845 PolarHBondContact NZ-O 3.08Å; I841-A845 VanDerWaalsContact O-CB 3.31Å; I841-A845 WeakPolarHBondContact O-CB 3.4Å; I841-A845 PolarHBondContact O-N 3.02Å; L842-A845 WeakPolarHBondContact O-CB 3.31Å; L842-A845 PolarHBondContact O-N 3.12Å; M843-A845 VanDerWaalsContact C-N 3.33Å; A845-H851 WeakPolarHBondContact O-CA 3.41Å; A845-H851 WeakPolarHBondContact O-CB 3.48Å; A845-A854 HydrophobicContact CB-CB 3.87Å; A845-T883 HydrophobicContact CB-CG2 4.09Å; A845-Q886 PolarHBondContact O-OE1 3.23Å
846	R	91.3	Very high	95.2	Very high	78 Å²	78	26.3 Å²	26.3	29%	0.294	13%	0.125	S	C	.	.	H	α-helix	trans	-73	-30.8	176.1	-73.2	171.1	166	-165.2	-11.6	112.6	K694 L842 M843 I844	K694-R846 PolarHBondContact NZ-O 3.13Å; L842-R846 WeakPolarHBondContact O-CG 3.35Å; L842-R846 PolarHBondContact O-N 3.42Å; M843-R846 PolarHBondContact O-N 3.24Å; I844-R846 PolarHBondContact O-N 2.92Å
847	N	92.8	Very high	95.4	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.053	12%	0.124	C	C	.	.	S	Bend	trans	-58.7	132.3	178.2	-176.7	-54.7	0	0	0	111.9	T811 S813 M843 I844 K849 G850 H851	T811-N847 PolarHBondContact O-ND2 3.39Å; S813-N847 PolarHBondContact O-ND2 3.36Å; M843-N847 PolarHBondContact O-N 3.14Å; I844-N847 WeakPolarHBondContact O-CB 3.26Å; I844-N847 PolarHBondContact O-N 3.2Å; N847-K849 PolarHBondContact O-N 3.41Å; N847-K849 WeakPolarHBondContact OD1-CA 3.32Å; N847-K849 WeakPolarHBondContact OD1-CB 3.05Å; N847-K849 PolarHBondContact OD1-N 3.31Å; N847-G850 PolarHBondContact O-N 3.47Å; N847-G850 PolarHBondContact OD1-N 3.01Å; N847-H851 PolarHBondContact O-N 3.05Å
848	P	89.3	Confident	95.4	Very high	27 Å²	27	26.4 Å²	26.4	18%	0.175	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.9	-178.9	23.9	-33.9	0	0	0	114	E693 H851	E693-P848 HydrophobicContact CG-CB 4.49Å; E693-P848 WeakPolarHBondContact OE2-CB 3.44Å; P848-H851 PolarHBondContact O-CE1 3.27Å; P848-H851 PolarHBondContact O-ND1 2.89Å
849	K	91.9	Very high	95.5	Very high	106 Å²	106	28.9 Å²	28.9	46%	0.461	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-13.8	172.4	-57	-55.9	-178.3	-169.6	0	113.4	R814 K816 N847	R814-K849 HydrophobicContact CB-CG 4.32Å; K816-K849 WeakPolarHBondContact CE-O 3.33Å; K816-K849 HydrophobicContact CG-CB 4.39Å; N847-K849 PolarHBondContact O-N 3.41Å; N847-K849 WeakPolarHBondContact OD1-CA 3.32Å; N847-K849 WeakPolarHBondContact OD1-CB 3.05Å; N847-K849 PolarHBondContact OD1-N 3.31Å
850	G	94.2	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-16.6	-173.7	0	0	0	0	0	116.4	I844 N847 H852 L853 A854	I844-G850 CarbonylContact O-C 3.55Å; I844-G850 VanDerWaalsContact O-CA 3.28Å; I844-G850 WeakPolarHBondContact O-CA 3.2Å; N847-G850 PolarHBondContact O-N 3.47Å; N847-G850 PolarHBondContact OD1-N 3.01Å; G850-H852 PolarHBondContact O-N 3.38Å; G850-L853 WeakPolarHBondContact O-CA 3.39Å; G850-L853 VanDerWaalsContact O-CB 3.29Å; G850-L853 WeakPolarHBondContact O-CB 3.43Å; G850-L853 PolarHBondContact O-N 2.82Å; G850-A854 PolarHBondContact O-N 3.4Å
851	H	91.4	Very high	95.7	Very high	27 Å²	27	36.6 Å²	36.6	13%	0.125	17%	0.17	C	C	.	.	H	α-helix	trans	-53.3	-55	-173.7	59.4	-87.8	0	0	0	114.8	I844 A845 N847 P848 L853 W855	I844-H851 PolarHBondContact O-N 3.49Å; A845-H851 WeakPolarHBondContact O-CA 3.41Å; A845-H851 WeakPolarHBondContact O-CB 3.48Å; N847-H851 PolarHBondContact O-N 3.05Å; P848-H851 PolarHBondContact O-CE1 3.27Å; P848-H851 PolarHBondContact O-ND1 2.89Å; H851-L853 VanDerWaalsContact C-N 3.3Å; H851-L853 PolarHBondContact O-N 3.28Å; H851-W855 PolarHBondContact O-N 3.2Å
852	H	94.1	Very high	95.7	Very high	83 Å²	83	36.9 Å²	36.9	38%	0.384	17%	0.171	S	C	.	.	H	α-helix	trans	-69.5	-27.8	176	-67.7	-54.4	0	0	0	112.9	G850 N856 E892	G850-H852 PolarHBondContact O-N 3.38Å; H852-N856 WeakPolarHBondContact O-CB 3.19Å; H852-N856 VanDerWaalsContact O-CG 3.26Å; H852-N856 PolarHBondContact O-N 3.01Å; H852-N856 PolarHBondContact O-ND2 3.46Å; H852-N856 VanDerWaalsContact O-ND2 3.1Å; H852-E892 IonicContact CE1-OE1 3.38Å; H852-E892 PolarHBondContact CE1-OE1 3.22Å
853	L	96.8	Very high	95.6	Very high	37 Å²	37	41.7 Å²	41.7	19%	0.194	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-49.1	177.1	-175.5	70.5	0	0	0	110.5	L819 Q820 L823 G850 H851 W855 N856 F857	L819-L853 HydrophobicContact CB-CD2 3.71Å; Q820-L853 HydrophobicContact CB-CD1 4.45Å; Q820-L853 HydrophobicContact CB-CD2 4.13Å; Q820-L853 VanDerWaalsContact OE1-CD1 3.32Å; L823-L853 HydrophobicContact CD1-CD2 4.37Å; L823-L853 HydrophobicContact CD1-CG 4.2Å; G850-L853 WeakPolarHBondContact O-CA 3.39Å; G850-L853 VanDerWaalsContact O-CB 3.29Å; G850-L853 WeakPolarHBondContact O-CB 3.43Å; G850-L853 PolarHBondContact O-N 2.82Å; H851-L853 VanDerWaalsContact C-N 3.3Å; H851-L853 PolarHBondContact O-N 3.28Å; L853-W855 PolarHBondContact O-N 2.9Å; L853-N856 PolarHBondContact O-N 2.86Å; L853-F857 WeakPolarHBondContact O-CB 3.16Å; L853-F857 PolarHBondContact O-N 3.19Å
854	A	97.8	Very high	95.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-44.4	177	0	0	0	0	0	111.5	I841 I844 A845 G850 F857 V858 T883	I841-A854 HydrophobicContact CG2-CB 4.47Å; I844-A854 HydrophobicContact CB-CB 4.48Å; I844-A854 HydrophobicContact CG2-CB 4.16Å; A845-A854 HydrophobicContact CB-CB 3.87Å; G850-A854 PolarHBondContact O-N 3.4Å; A854-F857 WeakPolarHBondContact O-CB 3.39Å; A854-F857 PolarHBondContact O-N 3.05Å; A854-V858 WeakPolarHBondContact O-CG2 3.29Å; A854-V858 PolarHBondContact O-N 2.98Å; A854-T883 HydrophobicContact CB-CG2 4.12Å
855	W	97.9	Very high	95.5	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-45.2	177.4	178.3	-124.3	0	0	0	112.9	H851 L853 F857 V858 K859 T884 F887 E895 V896 F899 F900	H851-W855 PolarHBondContact O-N 3.2Å; L853-W855 PolarHBondContact O-N 2.9Å; W855-F857 VanDerWaalsContact C-N 3.29Å; W855-F857 PolarHBondContact O-N 3.36Å; W855-V858 HydrophobicContact CE3-CB 4.41Å; W855-V858 HydrophobicContact CE3-CG1 4.49Å; W855-V858 HydrophobicContact CZ3-CG1 4.28Å; W855-V858 PolarHBondContact O-N 3.41Å; W855-K859 HydrophobicContact CD2-CD 4.45Å; W855-K859 HydrophobicContact CD2-CG 4.28Å; W855-K859 HydrophobicContact CH2-CG 4.4Å; W855-K859 HydrophobicContact CZ2-CD 3.96Å; W855-K859 HydrophobicContact CZ2-CG 3.95Å; W855-K859 WeakPolarHBondContact O-CG 3.44Å; W855-K859 PolarHBondContact O-N 2.97Å; W855-T884 HydrophobicContact CD2-CG2 4.42Å; W855-T884 HydrophobicContact CE3-CG2 3.9Å; W855-T884 HydrophobicContact CH2-CG2 3.95Å; W855-T884 HydrophobicContact CZ2-CG2 4.49Å; W855-T884 HydrophobicContact CZ3-CG2 3.64Å; W855-F887 HydrophobicContact CB-CZ 3.87Å; W855-F887 AromaticContact CD1-CZ 3.87Å; W855-F887 HydrophobicContact CD2-CE2 4.25Å; W855-F887 HydrophobicContact CD2-CZ 4.43Å; W855-F887 HydrophobicContact CG-CE2 4.02Å; W855-F887 AromaticContact CG-CZ 3.78Å; W855-F887 HydrophobicContact CG-CZ 3.78Å; W855-E895 PolarHBondContact NE1-OE1 3.4Å; W855-V896 HydrophobicContact CH2-CG2 4.32Å; W855-V896 HydrophobicContact CZ2-CB 4.4Å; W855-V896 HydrophobicContact CZ2-CG2 3.84Å; W855-F899 HydrophobicContact CH2-CB 4.43Å; W855-F899 AromaticContact CH2-CD1 3.47Å; W855-F899 HydrophobicContact CH2-CD1 3.47Å; W855-F899 VanDerWaalsContact CH2-CD1 3.47Å; W855-F899 HydrophobicContact CH2-CE1 4.02Å; W855-F899 HydrophobicContact CH2-CG 4.18Å; W855-F899 HydrophobicContact CZ2-CB 4.03Å; W855-F899 AromaticContact CZ2-CD1 3.89Å; W855-F899 HydrophobicContact CZ2-CD1 3.89Å; W855-F899 HydrophobicContact CZ2-CG 4.14Å; W855-F899 HydrophobicContact CZ3-CD1 4.4Å; W855-F900 HydrophobicContact CH2-CE1 4.34Å
856	N	98.2	Very high	95.4	Very high	80 Å²	80	43.5 Å²	43.5	43%	0.428	21%	0.213	S	C	.	.	H	α-helix	trans	-62.7	-37.9	175.6	-75.2	-33.2	0	0	0	112.3	H852 L853 K859 K860	H852-N856 WeakPolarHBondContact O-CB 3.19Å; H852-N856 VanDerWaalsContact O-CG 3.26Å; H852-N856 PolarHBondContact O-N 3.01Å; H852-N856 PolarHBondContact O-ND2 3.46Å; H852-N856 VanDerWaalsContact O-ND2 3.1Å; L853-N856 PolarHBondContact O-N 2.86Å; N856-K859 PolarHBondContact O-N 2.85Å; N856-K859 WeakPolarHBondContact OD1-CE 3.28Å; N856-K859 PolarHBondContact OD1-NZ 3.02Å; N856-K860 WeakPolarHBondContact O-CB 3.33Å; N856-K860 PolarHBondContact O-N 2.94Å
857	F	98.5	Very high	95.3	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-44.1	174.3	177.2	-89.1	0	0	0	112	L823 L827 I841 L853 A854 W855 K860 N861	L823-F857 HydrophobicContact CB-CD1 4.43Å; L823-F857 HydrophobicContact CB-CD2 3.74Å; L823-F857 HydrophobicContact CB-CE1 4.39Å; L823-F857 HydrophobicContact CB-CE2 3.67Å; L823-F857 HydrophobicContact CB-CG 4.13Å; L823-F857 HydrophobicContact CB-CZ 4.01Å; L823-F857 HydrophobicContact CD1-CB 3.86Å; L823-F857 HydrophobicContact CD1-CD1 4.47Å; L823-F857 HydrophobicContact CD1-CD2 4.06Å; L823-F857 HydrophobicContact CD1-CG 3.87Å; L823-F857 HydrophobicContact CD2-CD1 4.2Å; L823-F857 HydrophobicContact CD2-CE1 4.45Å; L823-F857 HydrophobicContact CD2-CG 4.4Å; L823-F857 HydrophobicContact CG-CD2 4.41Å; L823-F857 HydrophobicContact CG-CG 4.37Å; L827-F857 HydrophobicContact CB-CZ 4.01Å; L827-F857 HydrophobicContact CD2-CE2 4.33Å; L827-F857 HydrophobicContact CD2-CZ 3.91Å; L827-F857 HydrophobicContact CG-CZ 4.37Å; I841-F857 HydrophobicContact CD1-CD1 4.32Å; I841-F857 HydrophobicContact CD1-CE1 4.03Å; I841-F857 HydrophobicContact CG1-CD1 4.36Å; I841-F857 HydrophobicContact CG1-CE1 4.29Å; L853-F857 WeakPolarHBondContact O-CB 3.16Å; L853-F857 PolarHBondContact O-N 3.19Å; A854-F857 WeakPolarHBondContact O-CB 3.39Å; A854-F857 PolarHBondContact O-N 3.05Å; W855-F857 VanDerWaalsContact C-N 3.29Å; W855-F857 PolarHBondContact O-N 3.36Å; F857-K860 PolarHBondContact O-N 2.97Å; F857-N861 VanDerWaalsContact CD2-ND2 3.32Å; F857-N861 WeakPolarHBondContact CD2-ND2 3.43Å; F857-N861 WeakPolarHBondContact CE2-ND2 3.32Å; F857-N861 WeakPolarHBondContact O-CB 3.35Å; F857-N861 PolarHBondContact O-N 3.47Å; F857-N861 PolarHBondContact O-ND2 3.13Å
858	V	98.3	Very high	95.2	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-49.5	176.9	170.1	0	0	0	0	111.2	I841 A854 W855 K860 N861 W862 L865 I879 T883	I841-V858 HydrophobicContact CG2-CG2 3.91Å; A854-V858 WeakPolarHBondContact O-CG2 3.29Å; A854-V858 PolarHBondContact O-N 2.98Å; W855-V858 HydrophobicContact CE3-CB 4.41Å; W855-V858 HydrophobicContact CE3-CG1 4.49Å; W855-V858 HydrophobicContact CZ3-CG1 4.28Å; W855-V858 PolarHBondContact O-N 3.41Å; V858-K860 VanDerWaalsContact C-N 3.3Å; V858-K860 PolarHBondContact O-N 3.48Å; V858-N861 PolarHBondContact O-N 3.22Å; V858-W862 HydrophobicContact CG1-CE3 4.08Å; V858-W862 HydrophobicContact CG1-CZ3 4.44Å; V858-W862 WeakPolarHBondContact O-CA 3.45Å; V858-W862 PolarHBondContact O-N 3.3Å; V858-L865 HydrophobicContact CB-CD1 4.43Å; V858-L865 HydrophobicContact CG1-CD1 4.29Å; V858-L865 HydrophobicContact CG2-CD1 4.3Å; V858-I879 HydrophobicContact CB-CG2 4.27Å; V858-I879 HydrophobicContact CG1-CG2 3.73Å; V858-I879 HydrophobicContact CG2-CG2 3.45Å; V858-I879 VanDerWaalsContact CG2-CG2 3.45Å; V858-T883 HydrophobicContact CG2-CG2 3.84Å
859	K	97.9	Very high	95.3	Very high	61 Å²	61	49.3 Å²	49.3	27%	0.265	24%	0.24	S	C	.	.	H	α-helix	trans	-58.6	-42.8	178.4	-66.7	-176.3	-67.3	173.7	0	112.2	W855 N856 E895 F899	W855-K859 HydrophobicContact CD2-CD 4.45Å; W855-K859 HydrophobicContact CD2-CG 4.28Å; W855-K859 HydrophobicContact CH2-CG 4.4Å; W855-K859 HydrophobicContact CZ2-CD 3.96Å; W855-K859 HydrophobicContact CZ2-CG 3.95Å; W855-K859 WeakPolarHBondContact O-CG 3.44Å; W855-K859 PolarHBondContact O-N 2.97Å; N856-K859 PolarHBondContact O-N 2.85Å; N856-K859 WeakPolarHBondContact OD1-CE 3.28Å; N856-K859 PolarHBondContact OD1-NZ 3.02Å; K859-E895 WeakPolarHBondContact CE-OE1 3.33Å; K859-E895 IonicContact NZ-OE1 2.62Å; K859-E895 PolarHBondContact NZ-OE1 3.4Å; K859-F899 HydrophobicContact CB-CD2 4.06Å; K859-F899 HydrophobicContact CB-CE2 3.89Å; K859-F899 HydrophobicContact CB-CZ 4.43Å; K859-F899 HydrophobicContact CD-CB 4.35Å; K859-F899 HydrophobicContact CD-CD2 4.12Å; K859-F899 HydrophobicContact CD-CG 4.23Å; K859-F899 HydrophobicContact CG-CD1 4.28Å; K859-F899 HydrophobicContact CG-CD2 3.63Å; K859-F899 HydrophobicContact CG-CE1 4.43Å; K859-F899 HydrophobicContact CG-CE2 3.83Å; K859-F899 HydrophobicContact CG-CG 3.86Å; K859-F899 HydrophobicContact CG-CZ 4.21Å
860	K	98.1	Very high	95.1	Very high	171 Å²	171	46.5 Å²	46.5	74%	0.743	23%	0.232	S	C	*	.	H	α-helix	trans	-68.8	-34.7	-177.8	-177.4	-177.7	174.8	-171.5	0	112.8	N856 F857 V858	N856-K860 WeakPolarHBondContact O-CB 3.33Å; N856-K860 PolarHBondContact O-N 2.94Å; F857-K860 PolarHBondContact O-N 2.97Å; V858-K860 VanDerWaalsContact C-N 3.3Å; V858-K860 PolarHBondContact O-N 3.48Å
861	N	98	Very high	95	Very high	34 Å²	34	48 Å²	48	18%	0.182	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	21.2	-171.2	-56.9	-77.4	0	0	0	112.9	L827 F857 V858 D863 A864 L865	L827-N861 HydrophobicContact CD2-CB 4.25Å; F857-N861 VanDerWaalsContact CD2-ND2 3.32Å; F857-N861 WeakPolarHBondContact CD2-ND2 3.43Å; F857-N861 WeakPolarHBondContact CE2-ND2 3.32Å; F857-N861 WeakPolarHBondContact O-CB 3.35Å; F857-N861 PolarHBondContact O-N 3.47Å; F857-N861 PolarHBondContact O-ND2 3.13Å; V858-N861 PolarHBondContact O-N 3.22Å; N861-D863 VanDerWaalsContact C-N 3.32Å; N861-D863 PolarHBondContact O-N 2.74Å; N861-A864 PolarHBondContact O-N 3.22Å; N861-L865 WeakPolarHBondContact O-CG 3.34Å; N861-L865 PolarHBondContact O-N 3.44Å
862	W	97.2	Very high	94.9	Very high	6 Å²	6	46.8 Å²	46.8	2%	0.023	24%	0.236	C	C	.	.	H	α-helix	trans	-54.1	-46.4	-173.7	178.9	-105.1	0	0	0	113	V858 A864 L865 V866 I876 I880 F899 I903	V858-W862 HydrophobicContact CG1-CE3 4.08Å; V858-W862 HydrophobicContact CG1-CZ3 4.44Å; V858-W862 WeakPolarHBondContact O-CA 3.45Å; V858-W862 PolarHBondContact O-N 3.3Å; W862-A864 PolarHBondContact O-N 2.85Å; W862-L865 WeakPolarHBondContact O-CB 3.46Å; W862-L865 PolarHBondContact O-N 3.2Å; W862-L865 VanDerWaalsContact O-N 3.07Å; W862-V866 HydrophobicContact CD2-CG1 4.15Å; W862-V866 HydrophobicContact CH2-CG1 4.07Å; W862-V866 HydrophobicContact CZ2-CG1 3.54Å; W862-V866 PolarHBondContact O-N 3.06Å; W862-I876 HydrophobicContact CH2-CG2 3.86Å; W862-I880 HydrophobicContact CH2-CD1 3.87Å; W862-I880 HydrophobicContact CH2-CG1 3.99Å; W862-I880 HydrophobicContact CZ3-CD1 4.41Å; W862-I880 HydrophobicContact CZ3-CG1 4Å; W862-F899 HydrophobicContact CB-CZ 4.08Å; W862-F899 HydrophobicContact CD2-CZ 4.1Å; W862-F899 HydrophobicContact CE3-CE1 4.43Å; W862-F899 HydrophobicContact CE3-CZ 4.23Å; W862-F899 HydrophobicContact CG-CZ 4.03Å; W862-I903 HydrophobicContact CD2-CD1 3.91Å; W862-I903 VanDerWaalsContact CE2-CD1 3.45Å; W862-I903 HydrophobicContact CG-CD1 4.25Å; W862-I903 HydrophobicContact CZ2-CD1 3.79Å
863	D	95.2	Very high	94.8	Very high	114 Å²	114	42.9 Å²	42.9	61%	0.61	22%	0.217	S	C	*	.	H	α-helix	trans	-61.2	-43.5	-179	-62.4	-27	0	0	0	112.1	N861 L865 V866 E867	N861-D863 VanDerWaalsContact C-N 3.32Å; N861-D863 PolarHBondContact O-N 2.74Å; D863-L865 VanDerWaalsContact C-N 3.28Å; D863-L865 PolarHBondContact O-N 2.81Å; D863-V866 VanDerWaalsContact O-CG2 3.23Å; D863-V866 WeakPolarHBondContact O-CG2 3.26Å; D863-V866 PolarHBondContact O-N 2.99Å; D863-E867 PolarHBondContact O-N 3.15Å
864	A	94.9	Very high	94.5	Very high	33 Å²	33	46 Å²	46	27%	0.273	23%	0.23	S	C	.	.	H	α-helix	trans	-66.7	-30.5	176	0	0	0	0	0	112.5	L827 N861 W862 K868	L827-A864 HydrophobicContact CD1-CB 4.29Å; N861-A864 PolarHBondContact O-N 3.22Å; W862-A864 PolarHBondContact O-N 2.85Å; A864-K868 WeakPolarHBondContact O-CG 3.35Å; A864-K868 PolarHBondContact O-N 2.93Å
865	L	95.6	Very high	94.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.3	-42.1	176.8	-68.5	166.4	0	0	0	111.5	L827 L837 I841 V858 N861 W862 D863 E867 K868 F869 I876 I879	L827-L865 HydrophobicContact CD1-CD2 4.36Å; L837-L865 HydrophobicContact CD2-CD2 3.76Å; L837-L865 HydrophobicContact CG-CD2 4.35Å; I841-L865 HydrophobicContact CD1-CD2 4Å; V858-L865 HydrophobicContact CB-CD1 4.43Å; V858-L865 HydrophobicContact CG1-CD1 4.29Å; V858-L865 HydrophobicContact CG2-CD1 4.3Å; N861-L865 WeakPolarHBondContact O-CG 3.34Å; N861-L865 PolarHBondContact O-N 3.44Å; W862-L865 WeakPolarHBondContact O-CB 3.46Å; W862-L865 PolarHBondContact O-N 3.2Å; W862-L865 VanDerWaalsContact O-N 3.07Å; D863-L865 VanDerWaalsContact C-N 3.28Å; D863-L865 PolarHBondContact O-N 2.81Å; L865-E867 VanDerWaalsContact C-N 3.31Å; L865-K868 PolarHBondContact O-N 3.48Å; L865-F869 WeakPolarHBondContact O-CD2 3.48Å; L865-F869 PolarHBondContact O-N 3.04Å; L865-I876 HydrophobicContact CB-CD1 4.41Å; L865-I879 HydrophobicContact CD1-CG2 4.36Å; L865-I879 HydrophobicContact CD2-CD1 3.97Å
866	V	92.9	Very high	94.1	Very high	37 Å²	37	46 Å²	46	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-76.2	-18.3	178.1	-60.5	0	0	0	0	113.4	W862 D863 F869 I876	W862-V866 HydrophobicContact CD2-CG1 4.15Å; W862-V866 HydrophobicContact CH2-CG1 4.07Å; W862-V866 HydrophobicContact CZ2-CG1 3.54Å; W862-V866 PolarHBondContact O-N 3.06Å; D863-V866 VanDerWaalsContact O-CG2 3.23Å; D863-V866 WeakPolarHBondContact O-CG2 3.26Å; D863-V866 PolarHBondContact O-N 2.99Å; V866-F869 CarbonylContact C-O 3.57Å; V866-F869 WeakPolarHBondContact CA-O 3.48Å; V866-I876 HydrophobicContact CG1-CD1 3.94Å
867	E	89.8	Confident	93.9	Very high	171 Å²	171	44.2 Å²	44.2	80%	0.799	22%	0.217	S	C	*	.	H	α-helix	trans	-72.7	-40.7	168.1	-172.8	179.5	-177.6	0	0	111.5	D863 L865	D863-E867 PolarHBondContact O-N 3.15Å; L865-E867 VanDerWaalsContact C-N 3.31Å
868	K	90.5	Very high	93.6	Very high	65 Å²	65	45 Å²	45	28%	0.283	22%	0.222	S	C	.	.	H	α-helix	trans	-77	-31.3	179	-75.8	178.4	178.6	-78	0	113.8	L827 S834 L837 A864 L865	L827-K868 HydrophobicContact CD1-CD 4.36Å; L827-K868 WeakPolarHBondContact O-CE 3.37Å; L827-K868 PolarHBondContact O-NZ 3.21Å; S834-K868 PolarHBondContact OG-NZ 3Å; S834-K868 VanDerWaalsContact OG-NZ 3.1Å; L837-K868 HydrophobicContact CD2-CD 4.4Å; A864-K868 WeakPolarHBondContact O-CG 3.35Å; A864-K868 PolarHBondContact O-N 2.93Å; L865-K868 PolarHBondContact O-N 3.48Å
869	F	91.3	Very high	93.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	22%	0.222	C	C	.	.	S	Bend	trans	-127	124.9	-177.2	-58.2	-66.8	0	0	0	110	F158 S834 L837 L865 V866 I876 I879	F158-F869 HydrophobicContact CE2-CD1 4.39Å; F158-F869 AromaticContact CE2-CE1 3.96Å; F158-F869 HydrophobicContact CE2-CE1 3.96Å; S834-F869 WeakPolarHBondContact O-CZ 3.4Å; L837-F869 HydrophobicContact CB-CE2 4.44Å; L837-F869 HydrophobicContact CB-CZ 4.25Å; L837-F869 HydrophobicContact CD2-CE2 4.17Å; L837-F869 HydrophobicContact CG-CE2 4.47Å; L865-F869 WeakPolarHBondContact O-CD2 3.48Å; L865-F869 PolarHBondContact O-N 3.04Å; V866-F869 CarbonylContact C-O 3.57Å; V866-F869 WeakPolarHBondContact CA-O 3.48Å; F869-I876 HydrophobicContact CB-CD1 3.93Å; F869-I876 HydrophobicContact CB-CG1 3.79Å; F869-I879 HydrophobicContact CD2-CD1 4.16Å; F869-I879 HydrophobicContact CE2-CD1 4.18Å
870	P	89	Confident	93.5	Very high	46 Å²	46	42 Å²	42	30%	0.299	21%	0.209	S	C	.	.			trans	-54.1	145.2	177.1	-26.1	34.5	0	0	0	112.2	Y159 G872 S873	Y159-P870 HydrophobicContact CD2-CG 3.75Å; Y159-P870 HydrophobicContact CE2-CG 3.39Å; P870-G872 PolarHBondContact O-N 3.42Å; P870-S873 WeakPolarHBondContact O-CB 3.11Å; P870-S873 PolarHBondContact O-N 3.19Å; P870-S873 VanDerWaalsContact O-N 3.08Å; P870-S873 PolarHBondContact O-OG 3.34Å
871	L	90.9	Very high	93.2	Very high	31 Å²	31	34.5 Å²	34.5	16%	0.162	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	133.7	171.2	-162	67.9	0	0	0	109	T426 S873 Q906 Q909 L910	T426-L871 HydrophobicContact CG2-CB 4.19Å; T426-L871 HydrophobicContact CG2-CD2 4.12Å; T426-L871 HydrophobicContact CG2-CG 3.95Å; L871-S873 VanDerWaalsContact C-N 3.3Å; L871-S873 PolarHBondContact O-N 3.36Å; L871-Q906 HydrophobicContact CD1-CB 4.12Å; L871-Q906 HydrophobicContact CD2-CB 4.28Å; L871-Q909 HydrophobicContact CD2-CB 4.16Å; L871-L910 HydrophobicContact CD1-CD1 3.7Å; L871-L910 HydrophobicContact CD1-CD2 3.95Å; L871-L910 HydrophobicContact CD1-CG 3.96Å; L871-L910 HydrophobicContact CG-CD1 4.46Å; L871-L910 HydrophobicContact CG-CD2 3.85Å; L871-L910 HydrophobicContact CG-CG 4.19Å
872	G	90.3	Very high	93	Very high	3 Å²	3	33 Å²	33	3%	0.031	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	-16.7	-175.6	0	0	0	0	0	114.5	P870	P870-G872 PolarHBondContact O-N 3.42Å
873	S	91.9	Very high	93	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-63.8	159.4	-178.8	69.6	0	0	0	0	113.6	P870 L871 G875 I876 R877	P870-S873 WeakPolarHBondContact O-CB 3.11Å; P870-S873 PolarHBondContact O-N 3.19Å; P870-S873 VanDerWaalsContact O-N 3.08Å; P870-S873 PolarHBondContact O-OG 3.34Å; L871-S873 VanDerWaalsContact C-N 3.3Å; L871-S873 PolarHBondContact O-N 3.36Å; S873-G875 PolarHBondContact O-N 3.28Å; S873-I876 PolarHBondContact O-N 2.96Å; S873-R877 WeakPolarHBondContact O-CB 3.48Å; S873-R877 PolarHBondContact O-N 2.9Å
874	F	89.3	Confident	93	Very high	103 Å²	103	27.4 Å²	27.4	45%	0.452	14%	0.14	S	C	.	.	H	α-helix	trans	-53	-37.7	173	-179.7	-117.9	0	0	0	113.3	R877 N878	F874-R877 VanDerWaalsContact CD2-NH2 3.32Å; F874-R877 PolarHBondContact O-N 2.73Å; F874-N878 WeakPolarHBondContact CD1-ND2 3.43Å; F874-N878 WeakPolarHBondContact CE1-ND2 3.31Å; F874-N878 WeakPolarHBondContact CE2-ND2 3.39Å; F874-N878 VanDerWaalsContact CE2-OD1 3.3Å; F874-N878 WeakPolarHBondContact CE2-OD1 3.46Å; F874-N878 WeakPolarHBondContact CZ-ND2 3.46Å; F874-N878 WeakPolarHBondContact O-CB 3.27Å; F874-N878 VanDerWaalsContact O-CG 3.27Å; F874-N878 PolarHBondContact O-N 3.11Å
875	G	92.6	Very high	92.7	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-52.4	179.5	0	0	0	0	0	112.2	S873 N878 I879	S873-G875 PolarHBondContact O-N 3.28Å; G875-N878 PolarHBondContact O-N 3.07Å; G875-I879 VanDerWaalsContact O-CG1 3.26Å; G875-I879 WeakPolarHBondContact O-CG1 3.37Å; G875-I879 PolarHBondContact O-N 3.39Å
876	I	95.4	Very high	92.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-43.1	177.3	-67.9	-58.5	0	0	0	111.2	W862 L865 V866 F869 S873 N878 I879 I880 L910	W862-I876 HydrophobicContact CH2-CG2 3.86Å; L865-I876 HydrophobicContact CB-CD1 4.41Å; V866-I876 HydrophobicContact CG1-CD1 3.94Å; F869-I876 HydrophobicContact CB-CD1 3.93Å; F869-I876 HydrophobicContact CB-CG1 3.79Å; S873-I876 PolarHBondContact O-N 2.96Å; I876-N878 PolarHBondContact O-N 2.96Å; I876-I879 PolarHBondContact O-N 3.49Å; I876-I880 HydrophobicContact CG2-CD1 3.71Å; I876-I880 HydrophobicContact CG2-CG1 4.25Å; I876-I880 WeakPolarHBondContact O-CG1 3.23Å; I876-I880 PolarHBondContact O-N 2.89Å; I876-L910 HydrophobicContact CG2-CD1 4.18Å
877	R	93.9	Very high	92.4	Very high	41 Å²	41	26.6 Å²	26.6	16%	0.155	13%	0.128	C	C	.	.	H	α-helix	trans	-56.2	-49.5	176.3	-178.7	172.4	71.2	-142.4	9.1	111.4	F432 S873 F874 I879 I880 I881 A912	F432-R877 VanDerWaalsContact O-CZ 3.29Å; F432-R877 PolarHBondContact O-NH1 3.14Å; F432-R877 PolarHBondContact O-NH2 3.34Å; S873-R877 WeakPolarHBondContact O-CB 3.48Å; S873-R877 PolarHBondContact O-N 2.9Å; F874-R877 VanDerWaalsContact CD2-NH2 3.32Å; F874-R877 PolarHBondContact O-N 2.73Å; R877-I879 VanDerWaalsContact C-N 3.33Å; R877-I879 PolarHBondContact O-N 2.63Å; R877-I880 PolarHBondContact O-N 3.17Å; R877-I881 HydrophobicContact CG-CD1 3.41Å; R877-I881 VanDerWaalsContact CG-CD1 3.41Å; R877-I881 HydrophobicContact CG-CG1 4.3Å; R877-I881 VanDerWaalsContact O-CB 3.26Å; R877-I881 WeakPolarHBondContact O-CB 3.32Å; R877-I881 WeakPolarHBondContact O-CD1 3.32Å; R877-I881 WeakPolarHBondContact O-CG1 3.49Å; R877-I881 PolarHBondContact O-N 2.86Å; R877-A912 HydrophobicContact CB-CB 4.32Å; R877-A912 HydrophobicContact CG-CB 4.14Å
878	N	92.7	Very high	92.6	Very high	23 Å²	23	18.8 Å²	18.8	12%	0.123	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-37.1	178	-76.8	-10.2	0	0	0	113.1	F874 G875 I876 G882	F874-N878 WeakPolarHBondContact CD1-ND2 3.43Å; F874-N878 WeakPolarHBondContact CE1-ND2 3.31Å; F874-N878 WeakPolarHBondContact CE2-ND2 3.39Å; F874-N878 VanDerWaalsContact CE2-OD1 3.3Å; F874-N878 WeakPolarHBondContact CE2-OD1 3.46Å; F874-N878 WeakPolarHBondContact CZ-ND2 3.46Å; F874-N878 WeakPolarHBondContact O-CB 3.27Å; F874-N878 VanDerWaalsContact O-CG 3.27Å; F874-N878 PolarHBondContact O-N 3.11Å; G875-N878 PolarHBondContact O-N 3.07Å; I876-N878 PolarHBondContact O-N 2.96Å; N878-G882 VanDerWaalsContact O-CA 3.22Å; N878-G882 WeakPolarHBondContact O-CA 3.43Å; N878-G882 PolarHBondContact O-N 2.98Å
879	I	96.8	Very high	92.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-52.4	178	-73	167	0	0	0	110.3	I841 V858 L865 F869 G875 I876 R877 T883	I841-I879 HydrophobicContact CD1-CD1 4.03Å; I841-I879 HydrophobicContact CD1-CG1 4Å; V858-I879 HydrophobicContact CB-CG2 4.27Å; V858-I879 HydrophobicContact CG1-CG2 3.73Å; V858-I879 HydrophobicContact CG2-CG2 3.45Å; V858-I879 VanDerWaalsContact CG2-CG2 3.45Å; L865-I879 HydrophobicContact CD1-CG2 4.36Å; L865-I879 HydrophobicContact CD2-CD1 3.97Å; F869-I879 HydrophobicContact CD2-CD1 4.16Å; F869-I879 HydrophobicContact CE2-CD1 4.18Å; G875-I879 VanDerWaalsContact O-CG1 3.26Å; G875-I879 WeakPolarHBondContact O-CG1 3.37Å; G875-I879 PolarHBondContact O-N 3.39Å; I876-I879 PolarHBondContact O-N 3.49Å; R877-I879 VanDerWaalsContact C-N 3.33Å; R877-I879 PolarHBondContact O-N 2.63Å; I879-T883 WeakPolarHBondContact O-CB 3.34Å; I879-T883 WeakPolarHBondContact O-CG2 3.38Å; I879-T883 PolarHBondContact O-N 2.89Å; I879-T883 PolarHBondContact O-OG1 3.08Å
880	I	96.2	Very high	93	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-53.9	-177.8	-66.6	172.2	0	0	0	110.6	W862 I876 R877 T883 T884 F900 L910 A912 T913 A916	W862-I880 HydrophobicContact CH2-CD1 3.87Å; W862-I880 HydrophobicContact CH2-CG1 3.99Å; W862-I880 HydrophobicContact CZ3-CD1 4.41Å; W862-I880 HydrophobicContact CZ3-CG1 4Å; I876-I880 HydrophobicContact CG2-CD1 3.71Å; I876-I880 HydrophobicContact CG2-CG1 4.25Å; I876-I880 WeakPolarHBondContact O-CG1 3.23Å; I876-I880 PolarHBondContact O-N 2.89Å; R877-I880 PolarHBondContact O-N 3.17Å; I880-T883 PolarHBondContact O-OG1 3.38Å; I880-T884 WeakPolarHBondContact O-CG2 3.32Å; I880-T884 PolarHBondContact O-OG1 2.64Å; I880-F900 HydrophobicContact CG2-CE1 4.01Å; I880-F900 HydrophobicContact CG2-CZ 3.63Å; I880-L910 HydrophobicContact CD1-CD1 3.67Å; I880-A912 HydrophobicContact CD1-CB 4.07Å; I880-A912 VanDerWaalsContact CG2-O 3.31Å; I880-A912 WeakPolarHBondContact CG2-O 3.39Å; I880-T913 HydrophobicContact CD1-CG2 3.98Å; I880-A916 HydrophobicContact CG2-CB 4.17Å
881	I	93.3	Very high	93.4	Very high	12 Å²	12	25.7 Å²	25.7	6%	0.062	13%	0.126	C	C	.	.	H	α-helix	trans	-61.1	-60.1	179.1	-68.4	169.3	0	0	0	109.1	F6 R877 T883 T884 Q885 L915	F6-I881 HydrophobicContact CB-CB 4.36Å; F6-I881 HydrophobicContact CB-CD1 4.19Å; F6-I881 HydrophobicContact CB-CG1 4.34Å; F6-I881 HydrophobicContact CB-CG2 3.17Å; F6-I881 HydrophobicContact CD1-CG2 4.13Å; F6-I881 HydrophobicContact CD2-CG2 3.74Å; F6-I881 HydrophobicContact CG-CG2 3.41Å; F6-I881 VanDerWaalsContact CG-CG2 3.41Å; R877-I881 HydrophobicContact CG-CD1 3.41Å; R877-I881 VanDerWaalsContact CG-CD1 3.41Å; R877-I881 HydrophobicContact CG-CG1 4.3Å; R877-I881 VanDerWaalsContact O-CB 3.26Å; R877-I881 WeakPolarHBondContact O-CB 3.32Å; R877-I881 WeakPolarHBondContact O-CD1 3.32Å; R877-I881 WeakPolarHBondContact O-CG1 3.49Å; R877-I881 PolarHBondContact O-N 2.86Å; I881-T883 PolarHBondContact O-N 2.79Å; I881-T883 VanDerWaalsContact O-N 3.12Å; I881-T884 CarbonylContact O-C 3.1Å; I881-T884 PolarHBondContact O-N 2.77Å; I881-T884 PolarHBondContact O-OG1 3.21Å; I881-T884 VanDerWaalsContact O-OG1 3.05Å; I881-Q885 HydrophobicContact CG2-CB 4.23Å; I881-Q885 WeakPolarHBondContact O-CA 3.39Å; I881-Q885 WeakPolarHBondContact O-CB 3.29Å; I881-Q885 PolarHBondContact O-N 2.98Å; I881-L915 HydrophobicContact CD1-CD2 3.06Å; I881-L915 HydrophobicContact CD1-CG 4.37Å; I881-L915 HydrophobicContact CG1-CB 4.06Å; I881-L915 HydrophobicContact CG1-CD2 3.38Å; I881-L915 HydrophobicContact CG1-CG 4.28Å
882	G	93.1	Very high	93.6	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-59.4	-34.1	-163.1	0	0	0	0	0	113.3	N878 Q885	N878-G882 VanDerWaalsContact O-CA 3.22Å; N878-G882 WeakPolarHBondContact O-CA 3.43Å; N878-G882 PolarHBondContact O-N 2.98Å; G882-Q885 PolarHBondContact O-NE2 3.45Å
883	T	96.5	Very high	93.9	Very high	4 Å²	4	26 Å²	26	3%	0.025	13%	0.126	C	C	.	.	H	α-helix	trans	-78.4	-22.8	177.9	55.3	0	0	0	0	114.4	I841 A845 A854 V858 I879 I880 I881 F887	I841-T883 HydrophobicContact CG2-CG2 3.4Å; A845-T883 HydrophobicContact CB-CG2 4.09Å; A854-T883 HydrophobicContact CB-CG2 4.12Å; V858-T883 HydrophobicContact CG2-CG2 3.84Å; I879-T883 WeakPolarHBondContact O-CB 3.34Å; I879-T883 WeakPolarHBondContact O-CG2 3.38Å; I879-T883 PolarHBondContact O-N 2.89Å; I879-T883 PolarHBondContact O-OG1 3.08Å; I880-T883 PolarHBondContact O-OG1 3.38Å; I881-T883 PolarHBondContact O-N 2.79Å; I881-T883 VanDerWaalsContact O-N 3.12Å; T883-F887 WeakPolarHBondContact O-CZ 3.3Å
884	T	95.4	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-106.6	-13.7	-178.5	60.5	0	0	0	0	113.1	W855 I880 I881 Q886 F887 V896 A916 V920	W855-T884 HydrophobicContact CD2-CG2 4.42Å; W855-T884 HydrophobicContact CE3-CG2 3.9Å; W855-T884 HydrophobicContact CH2-CG2 3.95Å; W855-T884 HydrophobicContact CZ2-CG2 4.49Å; W855-T884 HydrophobicContact CZ3-CG2 3.64Å; I880-T884 WeakPolarHBondContact O-CG2 3.32Å; I880-T884 PolarHBondContact O-OG1 2.64Å; I881-T884 CarbonylContact O-C 3.1Å; I881-T884 PolarHBondContact O-N 2.77Å; I881-T884 PolarHBondContact O-OG1 3.21Å; I881-T884 VanDerWaalsContact O-OG1 3.05Å; T884-Q886 PolarHBondContact O-N 3.45Å; T884-F887 HydrophobicContact CG2-CD2 4.21Å; T884-F887 HydrophobicContact CG2-CE2 4.02Å; T884-F887 WeakPolarHBondContact O-CB 3.47Å; T884-F887 PolarHBondContact O-N 2.77Å; T884-V896 HydrophobicContact CG2-CG1 4.18Å; T884-V896 HydrophobicContact CG2-CG2 3.69Å; T884-A916 HydrophobicContact CG2-CB 4.21Å; T884-A916 WeakPolarHBondContact OG1-CB 3.32Å; T884-V920 WeakPolarHBondContact O-CG2 3.42Å
885	Q	89.4	Confident	94.6	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.023	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.5	-168	97.4	-168.3	-58.4	0	0	114.6	F6 L842 I881 G882 N923	F6-Q885 HydrophobicContact CD1-CB 3.71Å; F6-Q885 HydrophobicContact CD2-CB 3.78Å; F6-Q885 HydrophobicContact CD2-CG 4.2Å; F6-Q885 HydrophobicContact CE1-CB 3.41Å; F6-Q885 VanDerWaalsContact CE1-CB 3.41Å; F6-Q885 HydrophobicContact CE1-CG 4.13Å; F6-Q885 VanDerWaalsContact CE1-O 3.26Å; F6-Q885 WeakPolarHBondContact CE1-O 3.42Å; F6-Q885 HydrophobicContact CE2-CB 3.49Å; F6-Q885 VanDerWaalsContact CE2-CB 3.49Å; F6-Q885 HydrophobicContact CE2-CG 3.53Å; F6-Q885 HydrophobicContact CG-CB 4.02Å; F6-Q885 HydrophobicContact CZ-CB 3.33Å; F6-Q885 HydrophobicContact CZ-CG 3.53Å; F6-Q885 WeakPolarHBondContact CZ-O 3.39Å; L842-Q885 VanDerWaalsContact CD1-NE2 3.29Å; I881-Q885 HydrophobicContact CG2-CB 4.23Å; I881-Q885 WeakPolarHBondContact O-CA 3.39Å; I881-Q885 WeakPolarHBondContact O-CB 3.29Å; I881-Q885 PolarHBondContact O-N 2.98Å; G882-Q885 PolarHBondContact O-NE2 3.45Å; Q885-N923 PolarHBondContact O-ND2 3.36Å
886	Q	88.6	Confident	94.9	Very high	44 Å²	44	26.7 Å²	26.7	21%	0.206	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-2.2	-176.6	-76.9	169.5	-27.1	0	0	113.1	A845 T884	A845-Q886 PolarHBondContact O-OE1 3.23Å; T884-Q886 PolarHBondContact O-N 3.45Å
887	F	94.1	Very high	95	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.013	16%	0.156	C	C	.	.			trans	-62.6	138.2	174.4	-68.7	-16.2	0	0	0	110.4	W855 T883 T884 E892 V896 V920 N923	W855-F887 HydrophobicContact CB-CZ 3.87Å; W855-F887 AromaticContact CD1-CZ 3.87Å; W855-F887 HydrophobicContact CD2-CE2 4.25Å; W855-F887 HydrophobicContact CD2-CZ 4.43Å; W855-F887 HydrophobicContact CG-CE2 4.02Å; W855-F887 AromaticContact CG-CZ 3.78Å; W855-F887 HydrophobicContact CG-CZ 3.78Å; T883-F887 WeakPolarHBondContact O-CZ 3.3Å; T884-F887 HydrophobicContact CG2-CD2 4.21Å; T884-F887 HydrophobicContact CG2-CE2 4.02Å; T884-F887 WeakPolarHBondContact O-CB 3.47Å; T884-F887 PolarHBondContact O-N 2.77Å; F887-E892 WeakPolarHBondContact CA-OE2 3.26Å; F887-E892 HydrophobicContact CB-CB 3.82Å; F887-E892 HydrophobicContact CB-CG 4.29Å; F887-E892 VanDerWaalsContact CB-OE2 3.24Å; F887-E892 WeakPolarHBondContact CB-OE2 3.49Å; F887-E892 HydrophobicContact CD1-CB 4.44Å; F887-E892 VanDerWaalsContact CD1-CD 3.42Å; F887-E892 HydrophobicContact CD1-CG 4.19Å; F887-E892 WeakPolarHBondContact CD1-OE1 3.39Å; F887-E892 HydrophobicContact CD2-CB 3.86Å; F887-E892 HydrophobicContact CD2-CG 4.41Å; F887-E892 HydrophobicContact CG-CB 3.81Å; F887-E892 HydrophobicContact CG-CG 4.07Å; F887-V896 HydrophobicContact CD2-CG2 3.81Å; F887-V896 HydrophobicContact CE2-CG2 3.86Å; F887-V920 HydrophobicContact CB-CB 4.46Å; F887-V920 HydrophobicContact CB-CG1 3.83Å; F887-V920 HydrophobicContact CB-CG2 3.91Å; F887-N923 VanDerWaalsContact O-CB 3.22Å; F887-N923 WeakPolarHBondContact O-CB 3.5Å; F887-N923 PolarHBondContact O-ND2 3.31Å
888	S	93.6	Very high	95.2	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.049	18%	0.178	C	C	.	.			trans	-146.3	9.2	-172.1	67.3	0	0	0	0	113.4	R695 E892 I924	R695-S888 PolarHBondContact NH1-OG 2.97Å; S888-E892 PolarHBondContact N-OE2 2.72Å; S888-I924 VanDerWaalsContact C-CG1 3.46Å; S888-I924 WeakPolarHBondContact O-CG1 3.48Å
889	F	94.3	Very high	95.4	Very high	65 Å²	65	35.2 Å²	35.2	29%	0.285	18%	0.176	S	C	.	.	S	Bend	trans	-107.9	143.1	174.6	-66.2	-84.7	0	0	0	112.1	R695 E891 E892 L893	R695-F889 HydrophobicContact CB-CZ 4.45Å; R695-F889 HydrophobicContact CG-CE2 4.34Å; R695-F889 HydrophobicContact CG-CZ 3.97Å; F889-E891 PolarHBondContact O-N 3.3Å; F889-E892 HydrophobicContact CB-CG 4.07Å; F889-E892 WeakPolarHBondContact CD2-OE2 3.48Å; F889-E892 PolarHBondContact N-OE2 2.86Å; F889-E892 PolarHBondContact O-N 3.3Å; F889-L893 PolarHBondContact O-N 3.45Å
890	P	96.1	Very high	95.5	Very high	62 Å²	62	35.8 Å²	35.8	40%	0.403	18%	0.178	S	C	.	.	H	α-helix	trans	-56.5	-32.4	175.5	-26.2	35.9	0	0	0	114.5	L893 T894 I924	P890-L893 PolarHBondContact O-N 3.12Å; P890-T894 PolarHBondContact O-N 2.8Å; P890-T894 VanDerWaalsContact O-N 3.09Å; P890-T894 PolarHBondContact O-OG1 3.26Å; P890-I924 HydrophobicContact CG-CG2 4.42Å
891	E	96.2	Very high	95.5	Very high	131 Å²	131	41.2 Å²	41.2	61%	0.612	20%	0.204	S	C	*	.	H	α-helix	trans	-67	-41.6	178.6	-61.8	71.9	-156.6	0	0	111.1	F889 L893 T894 E895	F889-E891 PolarHBondContact O-N 3.3Å; E891-L893 VanDerWaalsContact C-N 3.35Å; E891-L893 PolarHBondContact O-N 3.46Å; E891-T894 WeakPolarHBondContact O-CB 3.46Å; E891-T894 PolarHBondContact O-N 2.94Å; E891-E895 WeakPolarHBondContact O-CB 3.22Å; E891-E895 PolarHBondContact O-N 2.89Å
892	E	96.2	Very high	95.7	Very high	14 Å²	14	44.7 Å²	44.7	7%	0.065	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-40.9	175.4	-64.8	172	137.5	0	0	111.1	H852 F887 S888 F889 T894 E895 V896	H852-E892 IonicContact CE1-OE1 3.38Å; H852-E892 PolarHBondContact CE1-OE1 3.22Å; F887-E892 WeakPolarHBondContact CA-OE2 3.26Å; F887-E892 HydrophobicContact CB-CB 3.82Å; F887-E892 HydrophobicContact CB-CG 4.29Å; F887-E892 VanDerWaalsContact CB-OE2 3.24Å; F887-E892 WeakPolarHBondContact CB-OE2 3.49Å; F887-E892 HydrophobicContact CD1-CB 4.44Å; F887-E892 VanDerWaalsContact CD1-CD 3.42Å; F887-E892 HydrophobicContact CD1-CG 4.19Å; F887-E892 WeakPolarHBondContact CD1-OE1 3.39Å; F887-E892 HydrophobicContact CD2-CB 3.86Å; F887-E892 HydrophobicContact CD2-CG 4.41Å; F887-E892 HydrophobicContact CG-CB 3.81Å; F887-E892 HydrophobicContact CG-CG 4.07Å; S888-E892 PolarHBondContact N-OE2 2.72Å; F889-E892 HydrophobicContact CB-CG 4.07Å; F889-E892 WeakPolarHBondContact CD2-OE2 3.48Å; F889-E892 PolarHBondContact N-OE2 2.86Å; F889-E892 PolarHBondContact O-N 3.3Å; E892-T894 VanDerWaalsContact C-N 3.3Å; E892-T894 PolarHBondContact O-N 3.42Å; E892-E895 PolarHBondContact O-N 3.01Å; E892-V896 VanDerWaalsContact O-CG2 3.27Å; E892-V896 WeakPolarHBondContact O-CG2 3.3Å; E892-V896 PolarHBondContact O-N 3.43Å
893	L	97.1	Very high	95.8	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-44.5	174.4	177.3	60.9	0	0	0	111.1	F889 P890 E891 E895 V896 Q897 L917 V920 I924	F889-L893 PolarHBondContact O-N 3.45Å; P890-L893 PolarHBondContact O-N 3.12Å; E891-L893 VanDerWaalsContact C-N 3.35Å; E891-L893 PolarHBondContact O-N 3.46Å; L893-E895 VanDerWaalsContact C-N 3.34Å; L893-V896 PolarHBondContact O-N 2.92Å; L893-Q897 HydrophobicContact CD1-CG 4.43Å; L893-Q897 VanDerWaalsContact O-CG 3.26Å; L893-Q897 WeakPolarHBondContact O-CG 3.19Å; L893-Q897 PolarHBondContact O-N 3.49Å; L893-L917 HydrophobicContact CD1-CB 4.4Å; L893-L917 HydrophobicContact CD1-CD2 3.89Å; L893-V920 HydrophobicContact CB-CG1 3.8Å; L893-V920 HydrophobicContact CD1-CB 4.14Å; L893-V920 HydrophobicContact CD1-CG1 4.2Å; L893-I924 HydrophobicContact CB-CD1 3.89Å; L893-I924 HydrophobicContact CD2-CD1 4.02Å
894	T	97.8	Very high	95.7	Very high	64 Å²	64	50.6 Å²	50.6	39%	0.393	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-42.7	178.4	-55.4	0	0	0	0	111	P890 E891 E892 Q897 Q898	P890-T894 PolarHBondContact O-N 2.8Å; P890-T894 VanDerWaalsContact O-N 3.09Å; P890-T894 PolarHBondContact O-OG1 3.26Å; E891-T894 WeakPolarHBondContact O-CB 3.46Å; E891-T894 PolarHBondContact O-N 2.94Å; E892-T894 VanDerWaalsContact C-N 3.3Å; E892-T894 PolarHBondContact O-N 3.42Å; T894-Q897 PolarHBondContact O-N 2.87Å; T894-Q898 VanDerWaalsContact O-CG 3.31Å; T894-Q898 WeakPolarHBondContact O-CG 3.3Å; T894-Q898 PolarHBondContact O-N 3.21Å
895	E	97.6	Very high	95.5	Very high	56 Å²	56	58 Å²	58	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-45.1	177.6	-172.4	-171.2	157.6	0	0	112.2	W855 K859 E891 E892 L893 Q897 Q898 F899	W855-E895 PolarHBondContact NE1-OE1 3.4Å; K859-E895 WeakPolarHBondContact CE-OE1 3.33Å; K859-E895 IonicContact NZ-OE1 2.62Å; K859-E895 PolarHBondContact NZ-OE1 3.4Å; E891-E895 WeakPolarHBondContact O-CB 3.22Å; E891-E895 PolarHBondContact O-N 2.89Å; E892-E895 PolarHBondContact O-N 3.01Å; L893-E895 VanDerWaalsContact C-N 3.34Å; E895-Q897 VanDerWaalsContact C-N 3.33Å; E895-Q897 PolarHBondContact O-N 3.47Å; E895-Q898 PolarHBondContact O-N 3.35Å; E895-F899 PolarHBondContact O-N 3.48Å
896	V	98	Very high	95.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-41.9	176.9	174.5	0	0	0	0	110.8	W855 T884 F887 E892 L893 F899 F900 A916 L917	W855-V896 HydrophobicContact CH2-CG2 4.32Å; W855-V896 HydrophobicContact CZ2-CB 4.4Å; W855-V896 HydrophobicContact CZ2-CG2 3.84Å; T884-V896 HydrophobicContact CG2-CG1 4.18Å; T884-V896 HydrophobicContact CG2-CG2 3.69Å; F887-V896 HydrophobicContact CD2-CG2 3.81Å; F887-V896 HydrophobicContact CE2-CG2 3.86Å; E892-V896 VanDerWaalsContact O-CG2 3.27Å; E892-V896 WeakPolarHBondContact O-CG2 3.3Å; E892-V896 PolarHBondContact O-N 3.43Å; L893-V896 PolarHBondContact O-N 2.92Å; V896-F899 PolarHBondContact O-N 3.36Å; V896-F900 HydrophobicContact CG1-CD2 3.81Å; V896-F900 HydrophobicContact CG1-CE1 4.41Å; V896-F900 HydrophobicContact CG1-CE2 3.18Å; V896-F900 HydrophobicContact CG1-CZ 3.54Å; V896-F900 WeakPolarHBondContact O-CD2 3.46Å; V896-F900 WeakPolarHBondContact O-CG 3.43Å; V896-F900 PolarHBondContact O-N 3.02Å; V896-A916 HydrophobicContact CG1-CB 4.34Å; V896-L917 HydrophobicContact CB-CD2 4.27Å; V896-L917 HydrophobicContact CG1-CD2 3.65Å
897	Q	97.9	Very high	95.7	Very high	93 Å²	93	58.8 Å²	58.8	44%	0.435	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-46	175.2	-73.1	172.1	-24.1	0	0	112.2	L893 T894 E895 F899 F900 E901 L917	L893-Q897 HydrophobicContact CD1-CG 4.43Å; L893-Q897 VanDerWaalsContact O-CG 3.26Å; L893-Q897 WeakPolarHBondContact O-CG 3.19Å; L893-Q897 PolarHBondContact O-N 3.49Å; T894-Q897 PolarHBondContact O-N 2.87Å; E895-Q897 VanDerWaalsContact C-N 3.33Å; E895-Q897 PolarHBondContact O-N 3.47Å; Q897-F899 VanDerWaalsContact C-N 3.34Å; Q897-F899 PolarHBondContact O-N 3.37Å; Q897-F900 PolarHBondContact O-N 3.46Å; Q897-E901 WeakPolarHBondContact O-CB 3.26Å; Q897-E901 PolarHBondContact O-N 3.39Å; Q897-L917 HydrophobicContact CG-CD1 4.41Å; Q897-L917 HydrophobicContact CG-CD2 3.58Å
898	Q	97.9	Very high	95.5	Very high	131 Å²	131	63 Å²	63	61%	0.612	32%	0.323	S	S	*	.	H	α-helix	trans	-62.1	-41.8	178.4	-74.4	173.9	-1.9	0	0	111.8	T894 E895 E901 S902	T894-Q898 VanDerWaalsContact O-CG 3.31Å; T894-Q898 WeakPolarHBondContact O-CG 3.3Å; T894-Q898 PolarHBondContact O-N 3.21Å; E895-Q898 PolarHBondContact O-N 3.35Å; Q898-E901 PolarHBondContact O-N 3.33Å; Q898-S902 PolarHBondContact O-N 3Å
899	F	97.9	Very high	95.3	Very high	20 Å²	20	66.9 Å²	66.9	9%	0.088	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-48.9	175.3	177.4	-111.3	0	0	0	111.3	W855 K859 W862 E895 V896 Q897 E901 S902 I903	W855-F899 HydrophobicContact CH2-CB 4.43Å; W855-F899 AromaticContact CH2-CD1 3.47Å; W855-F899 HydrophobicContact CH2-CD1 3.47Å; W855-F899 VanDerWaalsContact CH2-CD1 3.47Å; W855-F899 HydrophobicContact CH2-CE1 4.02Å; W855-F899 HydrophobicContact CH2-CG 4.18Å; W855-F899 HydrophobicContact CZ2-CB 4.03Å; W855-F899 AromaticContact CZ2-CD1 3.89Å; W855-F899 HydrophobicContact CZ2-CD1 3.89Å; W855-F899 HydrophobicContact CZ2-CG 4.14Å; W855-F899 HydrophobicContact CZ3-CD1 4.4Å; K859-F899 HydrophobicContact CB-CD2 4.06Å; K859-F899 HydrophobicContact CB-CE2 3.89Å; K859-F899 HydrophobicContact CB-CZ 4.43Å; K859-F899 HydrophobicContact CD-CB 4.35Å; K859-F899 HydrophobicContact CD-CD2 4.12Å; K859-F899 HydrophobicContact CD-CG 4.23Å; K859-F899 HydrophobicContact CG-CD1 4.28Å; K859-F899 HydrophobicContact CG-CD2 3.63Å; K859-F899 HydrophobicContact CG-CE1 4.43Å; K859-F899 HydrophobicContact CG-CE2 3.83Å; K859-F899 HydrophobicContact CG-CG 3.86Å; K859-F899 HydrophobicContact CG-CZ 4.21Å; W862-F899 HydrophobicContact CB-CZ 4.08Å; W862-F899 HydrophobicContact CD2-CZ 4.1Å; W862-F899 HydrophobicContact CE3-CE1 4.43Å; W862-F899 HydrophobicContact CE3-CZ 4.23Å; W862-F899 HydrophobicContact CG-CZ 4.03Å; E895-F899 PolarHBondContact O-N 3.48Å; V896-F899 PolarHBondContact O-N 3.36Å; Q897-F899 VanDerWaalsContact C-N 3.34Å; Q897-F899 PolarHBondContact O-N 3.37Å; F899-E901 VanDerWaalsContact C-N 3.29Å; F899-E901 PolarHBondContact O-N 2.63Å; F899-S902 WeakPolarHBondContact O-CA 3.24Å; F899-S902 WeakPolarHBondContact O-CB 3.27Å; F899-S902 PolarHBondContact O-N 3.41Å; F899-S902 PolarHBondContact O-OG 2.99Å; F899-I903 HydrophobicContact CD1-CD1 4.23Å; F899-I903 HydrophobicContact CE1-CD1 3.56Å; F899-I903 HydrophobicContact CE1-CG1 4.31Å; F899-I903 HydrophobicContact CE2-CD1 4.36Å; F899-I903 HydrophobicContact CZ-CD1 3.64Å; F899-I903 HydrophobicContact CZ-CG1 4.27Å; F899-I903 VanDerWaalsContact O-CG1 3.31Å; F899-I903 WeakPolarHBondContact O-CG1 3.46Å; F899-I903 PolarHBondContact O-N 3.32Å
900	F	97.5	Very high	95.2	Very high	12 Å²	12	64.2 Å²	64.2	5%	0.053	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-33.2	-180	-65.1	-26.9	0	0	0	113.6	W855 I880 V896 Q897 S902 I903 K904 T907 T913 A916 L917	W855-F900 HydrophobicContact CH2-CE1 4.34Å; I880-F900 HydrophobicContact CG2-CE1 4.01Å; I880-F900 HydrophobicContact CG2-CZ 3.63Å; V896-F900 HydrophobicContact CG1-CD2 3.81Å; V896-F900 HydrophobicContact CG1-CE1 4.41Å; V896-F900 HydrophobicContact CG1-CE2 3.18Å; V896-F900 HydrophobicContact CG1-CZ 3.54Å; V896-F900 WeakPolarHBondContact O-CD2 3.46Å; V896-F900 WeakPolarHBondContact O-CG 3.43Å; V896-F900 PolarHBondContact O-N 3.02Å; Q897-F900 PolarHBondContact O-N 3.46Å; F900-S902 VanDerWaalsContact C-N 3.31Å; F900-I903 CarbonylContact O-C 3.55Å; F900-I903 PolarHBondContact O-N 2.96Å; F900-K904 PolarHBondContact O-N 3.03Å; F900-T907 HydrophobicContact CB-CG2 4.12Å; F900-T907 HydrophobicContact CD1-CG2 3.92Å; F900-T907 HydrophobicContact CG-CG2 4.29Å; F900-T907 PolarHBondContact O-OG1 3.31Å; F900-T913 HydrophobicContact CD1-CG2 4.3Å; F900-T913 HydrophobicContact CE1-CG2 4.33Å; F900-T913 WeakPolarHBondContact CE2-O 3.48Å; F900-A916 HydrophobicContact CE2-CB 3.96Å; F900-A916 HydrophobicContact CZ-CB 3.96Å; F900-L917 HydrophobicContact CD2-CD1 4.38Å; F900-L917 HydrophobicContact CD2-CD2 4.09Å; F900-L917 HydrophobicContact CD2-CG 4.2Å; F900-L917 HydrophobicContact CE2-CD2 4.07Å; F900-L917 HydrophobicContact CE2-CG 4.12Å
901	E	97	Very high	94.9	Very high	115 Å²	115	63.9 Å²	63.9	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-67.3	-32.5	172	-171.9	63.8	-162.5	0	0	111.7	Q897 Q898 F899 I903 K904	Q897-E901 WeakPolarHBondContact O-CB 3.26Å; Q897-E901 PolarHBondContact O-N 3.39Å; Q898-E901 PolarHBondContact O-N 3.33Å; F899-E901 VanDerWaalsContact C-N 3.29Å; F899-E901 PolarHBondContact O-N 2.63Å; E901-I903 VanDerWaalsContact C-N 3.26Å; E901-I903 PolarHBondContact O-N 2.98Å; E901-K904 WeakPolarHBondContact O-CB 3.43Å; E901-K904 PolarHBondContact O-N 3.47Å; E901-K904 WeakPolarHBondContact OE1-CD 3.05Å; E901-K904 IonicContact OE1-NZ 2.81Å; E901-K904 PolarHBondContact OE1-NZ 2.77Å; E901-K904 IonicContact OE2-NZ 2.72Å; E901-K904 PolarHBondContact OE2-NZ 3.31Å
902	S	96.8	Very high	94.8	Very high	85 Å²	85	57.8 Å²	57.8	59%	0.594	29%	0.292	S	S	*	.	H	α-helix	trans	-68.1	-22.9	176.4	78.6	0	0	0	0	114.2	Q898 F899 F900	Q898-S902 PolarHBondContact O-N 3Å; F899-S902 WeakPolarHBondContact O-CA 3.24Å; F899-S902 WeakPolarHBondContact O-CB 3.27Å; F899-S902 PolarHBondContact O-N 3.41Å; F899-S902 PolarHBondContact O-OG 2.99Å; F900-S902 VanDerWaalsContact C-N 3.31Å
903	I	95.8	Very high	94.7	Very high	20 Å²	20	57.8 Å²	57.8	10%	0.103	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	38	178.3	51.4	157.6	0	0	0	111.3	W862 F899 F900 E901 E905 Q906 T907	W862-I903 HydrophobicContact CD2-CD1 3.91Å; W862-I903 VanDerWaalsContact CE2-CD1 3.45Å; W862-I903 HydrophobicContact CG-CD1 4.25Å; W862-I903 HydrophobicContact CZ2-CD1 3.79Å; F899-I903 HydrophobicContact CD1-CD1 4.23Å; F899-I903 HydrophobicContact CE1-CD1 3.56Å; F899-I903 HydrophobicContact CE1-CG1 4.31Å; F899-I903 HydrophobicContact CE2-CD1 4.36Å; F899-I903 HydrophobicContact CZ-CD1 3.64Å; F899-I903 HydrophobicContact CZ-CG1 4.27Å; F899-I903 VanDerWaalsContact O-CG1 3.31Å; F899-I903 WeakPolarHBondContact O-CG1 3.46Å; F899-I903 PolarHBondContact O-N 3.32Å; F900-I903 CarbonylContact O-C 3.55Å; F900-I903 PolarHBondContact O-N 2.96Å; E901-I903 VanDerWaalsContact C-N 3.26Å; E901-I903 PolarHBondContact O-N 2.98Å; I903-E905 VanDerWaalsContact C-N 3.27Å; I903-E905 PolarHBondContact O-N 2.92Å; I903-Q906 PolarHBondContact O-N 2.96Å; I903-Q906 VanDerWaalsContact O-N 3.17Å; I903-Q906 PolarHBondContact O-OE1 2.99Å; I903-Q906 VanDerWaalsContact O-OE1 3.09Å; I903-T907 HydrophobicContact CB-CG2 4.37Å; I903-T907 HydrophobicContact CD1-CG2 3.35Å; I903-T907 HydrophobicContact CG1-CG2 3.48Å; I903-T907 VanDerWaalsContact CG1-CG2 3.48Å; I903-T907 WeakPolarHBondContact O-CG2 3.5Å; I903-T907 PolarHBondContact O-N 3.07Å; I903-T907 PolarHBondContact O-OG1 2.91Å; I903-T907 VanDerWaalsContact O-OG1 3.12Å
904	K	94.3	Very high	94.5	Very high	110 Å²	110	58.6 Å²	58.6	48%	0.478	30%	0.296	S	S	.	.	H	α-helix	trans	-55.2	-36	-170.7	-168	174.8	-163.6	150.5	0	114.7	F900 E901 Q906 T907 S908	F900-K904 PolarHBondContact O-N 3.03Å; E901-K904 WeakPolarHBondContact O-CB 3.43Å; E901-K904 PolarHBondContact O-N 3.47Å; E901-K904 WeakPolarHBondContact OE1-CD 3.05Å; E901-K904 IonicContact OE1-NZ 2.81Å; E901-K904 PolarHBondContact OE1-NZ 2.77Å; E901-K904 IonicContact OE2-NZ 2.72Å; E901-K904 PolarHBondContact OE2-NZ 3.31Å; K904-Q906 VanDerWaalsContact C-N 3.34Å; K904-Q906 PolarHBondContact O-N 3.36Å; K904-T907 VanDerWaalsContact CA-OG1 3.27Å; K904-T907 WeakPolarHBondContact CA-OG1 3.27Å; K904-T907 PolarHBondContact O-N 3.23Å; K904-T907 PolarHBondContact O-OG1 2.94Å; K904-S908 WeakPolarHBondContact O-CB 3.5Å; K904-S908 PolarHBondContact O-N 3.41Å; K904-S908 PolarHBondContact O-OG 3.01Å
905	E	92.1	Very high	94.2	Very high	156 Å²	156	56 Å²	56	73%	0.729	28%	0.279	S	S	*	.	H	α-helix	trans	-63.9	-40.9	-178.7	-65.8	-173.9	172.8	0	0	111.7	I903 S908 Q909	I903-E905 VanDerWaalsContact C-N 3.27Å; I903-E905 PolarHBondContact O-N 2.92Å; E905-S908 PolarHBondContact O-OG 3.39Å; E905-Q909 PolarHBondContact O-NE2 3.24Å
906	Q	92.1	Very high	94.1	Very high	55 Å²	55	53.3 Å²	53.3	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-77.5	-44.1	175	-59.3	88.1	-16.8	0	0	111	L871 I903 K904 S908 Q909	L871-Q906 HydrophobicContact CD1-CB 4.12Å; L871-Q906 HydrophobicContact CD2-CB 4.28Å; I903-Q906 PolarHBondContact O-N 2.96Å; I903-Q906 VanDerWaalsContact O-N 3.17Å; I903-Q906 PolarHBondContact O-OE1 2.99Å; I903-Q906 VanDerWaalsContact O-OE1 3.09Å; K904-Q906 VanDerWaalsContact C-N 3.34Å; K904-Q906 PolarHBondContact O-N 3.36Å; Q906-S908 PolarHBondContact O-N 3.22Å; Q906-Q909 PolarHBondContact O-N 2.93Å
907	T	89.8	Confident	94	Very high	10 Å²	10	54.4 Å²	54.4	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-73.2	-28.2	-171.8	57.6	0	0	0	0	114.2	F900 I903 K904 Q909 L910 T913	F900-T907 HydrophobicContact CB-CG2 4.12Å; F900-T907 HydrophobicContact CD1-CG2 3.92Å; F900-T907 HydrophobicContact CG-CG2 4.29Å; F900-T907 PolarHBondContact O-OG1 3.31Å; I903-T907 HydrophobicContact CB-CG2 4.37Å; I903-T907 HydrophobicContact CD1-CG2 3.35Å; I903-T907 HydrophobicContact CG1-CG2 3.48Å; I903-T907 VanDerWaalsContact CG1-CG2 3.48Å; I903-T907 WeakPolarHBondContact O-CG2 3.5Å; I903-T907 PolarHBondContact O-N 3.07Å; I903-T907 PolarHBondContact O-OG1 2.91Å; I903-T907 VanDerWaalsContact O-OG1 3.12Å; K904-T907 VanDerWaalsContact CA-OG1 3.27Å; K904-T907 WeakPolarHBondContact CA-OG1 3.27Å; K904-T907 PolarHBondContact O-N 3.23Å; K904-T907 PolarHBondContact O-OG1 2.94Å; T907-Q909 PolarHBondContact O-N 3.38Å; T907-L910 PolarHBondContact O-N 2.9Å; T907-T913 VanDerWaalsContact CB-CG2 3.5Å; T907-T913 HydrophobicContact CG2-CG2 3.52Å; T907-T913 PolarHBondContact O-OG1 3.31Å; T907-T913 VanDerWaalsContact O-OG1 3.11Å
908	S	89.9	Confident	93.8	Very high	91 Å²	91	50.4 Å²	50.4	64%	0.636	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.4	174.4	59.7	0	0	0	0	113.5	K904 E905 Q906	K904-S908 WeakPolarHBondContact O-CB 3.5Å; K904-S908 PolarHBondContact O-N 3.41Å; K904-S908 PolarHBondContact O-OG 3.01Å; E905-S908 PolarHBondContact O-OG 3.39Å; Q906-S908 PolarHBondContact O-N 3.22Å
909	Q	88.6	Confident	93.6	Very high	89 Å²	89	44.2 Å²	44.2	42%	0.416	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.2	175.8	-58	177.8	55.5	0	0	113.1	T426 L871 E905 Q906 T907	T426-Q909 HydrophobicContact CG2-CB 4.13Å; L871-Q909 HydrophobicContact CD2-CB 4.16Å; E905-Q909 PolarHBondContact O-NE2 3.24Å; Q906-Q909 PolarHBondContact O-N 2.93Å; T907-Q909 PolarHBondContact O-N 3.38Å
910	L	93.1	Very high	93.4	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.047	22%	0.221	C	C	.	.			trans	-112.3	121.3	-172.3	-66.2	178.6	0	0	0	111.5	T426 E430 L871 I876 I880 T907 A912 T913	T426-L910 HydrophobicContact CG2-CD2 4.3Å; E430-L910 WeakPolarHBondContact OE1-CA 3.02Å; L871-L910 HydrophobicContact CD1-CD1 3.7Å; L871-L910 HydrophobicContact CD1-CD2 3.95Å; L871-L910 HydrophobicContact CD1-CG 3.96Å; L871-L910 HydrophobicContact CG-CD1 4.46Å; L871-L910 HydrophobicContact CG-CD2 3.85Å; L871-L910 HydrophobicContact CG-CG 4.19Å; I876-L910 HydrophobicContact CG2-CD1 4.18Å; I880-L910 HydrophobicContact CD1-CD1 3.67Å; T907-L910 PolarHBondContact O-N 2.9Å; L910-A912 HydrophobicContact CB-CB 4.38Å; L910-A912 PolarHBondContact O-N 3.48Å; L910-T913 HydrophobicContact CB-CG2 3.63Å; L910-T913 HydrophobicContact CD1-CG2 3.75Å; L910-T913 HydrophobicContact CG-CG2 4.33Å; L910-T913 PolarHBondContact O-OG1 3.3Å
911	R	90.5	Very high	93.3	Very high	55 Å²	55	46.3 Å²	46.3	21%	0.208	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-30.2	160.4	-64.4	-175.5	-68.2	-148.4	10.8	111.3	V8 R416 E430 D433 T913 L915	V8-R911 WeakPolarHBondContact CG1-O 3.45Å; R416-R911 VanDerWaalsContact CD-NH2 3.3Å; E430-R911 VanDerWaalsContact CB-NH2 3.34Å; E430-R911 PolarHBondContact O-NH2 3.16Å; E430-R911 WeakPolarHBondContact OE1-CB 3.17Å; E430-R911 PolarHBondContact OE1-N 2.84Å; E430-R911 WeakPolarHBondContact OE2-CG 3.18Å; E430-R911 PolarHBondContact OE2-N 3.38Å; E430-R911 IonicContact OE2-NE 2.8Å; E430-R911 PolarHBondContact OE2-NE 2.8Å; D433-R911 IonicContact OD2-NH2 2.79Å; R911-T913 PolarHBondContact O-N 2.95Å; R911-T913 VanDerWaalsContact O-N 3.15Å; R911-L915 PolarHBondContact O-N 3.45Å
912	A	92.3	Very high	93.1	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-24.5	179.7	0	0	0	0	0	114.7	R877 I880 L910 L915	R877-A912 HydrophobicContact CB-CB 4.32Å; R877-A912 HydrophobicContact CG-CB 4.14Å; I880-A912 HydrophobicContact CD1-CB 4.07Å; I880-A912 VanDerWaalsContact CG2-O 3.31Å; I880-A912 WeakPolarHBondContact CG2-O 3.39Å; L910-A912 HydrophobicContact CB-CB 4.38Å; L910-A912 PolarHBondContact O-N 3.48Å; A912-L915 VanDerWaalsContact C-N 3.29Å; A912-L915 WeakPolarHBondContact O-CA 3.33Å; A912-L915 WeakPolarHBondContact O-CB 3.17Å; A912-L915 PolarHBondContact O-N 2.98Å
913	T	94.5	Very high	93	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.08	19%	0.189	C	C	.	.	H	α-helix	trans	-83	-47.7	-170.9	52.3	0	0	0	0	112.1	I880 F900 T907 L910 R911 L915	I880-T913 HydrophobicContact CD1-CG2 3.98Å; F900-T913 HydrophobicContact CD1-CG2 4.3Å; F900-T913 HydrophobicContact CE1-CG2 4.33Å; F900-T913 WeakPolarHBondContact CE2-O 3.48Å; T907-T913 VanDerWaalsContact CB-CG2 3.5Å; T907-T913 HydrophobicContact CG2-CG2 3.52Å; T907-T913 PolarHBondContact O-OG1 3.31Å; T907-T913 VanDerWaalsContact O-OG1 3.11Å; L910-T913 HydrophobicContact CB-CG2 3.63Å; L910-T913 HydrophobicContact CD1-CG2 3.75Å; L910-T913 HydrophobicContact CG-CG2 4.33Å; L910-T913 PolarHBondContact O-OG1 3.3Å; R911-T913 PolarHBondContact O-N 2.95Å; R911-T913 VanDerWaalsContact O-N 3.15Å; T913-L915 PolarHBondContact O-N 3.37Å
914	Q	93.3	Very high	93	Very high	43 Å²	43	38.1 Å²	38.1	20%	0.201	19%	0.188	C	C	.	.	H	α-helix	trans	-52.3	-36.1	164.4	-173.4	59.7	67.8	0	0	103.5	V8 L9 L10 A916 L917 E918	V8-Q914 HydrophobicContact CB-CB 4.04Å; V8-Q914 HydrophobicContact CB-CG 3.9Å; V8-Q914 WeakPolarHBondContact CB-O 3.4Å; V8-Q914 HydrophobicContact CG1-CB 3.14Å; V8-Q914 HydrophobicContact CG1-CG 3.32Å; V8-Q914 WeakPolarHBondContact CG1-O 3.1Å; V8-Q914 HydrophobicContact CG2-CB 3.84Å; V8-Q914 HydrophobicContact CG2-CG 3.34Å; V8-Q914 VanDerWaalsContact CG2-NE2 3.27Å; V8-Q914 WeakPolarHBondContact CG2-O 3.4Å; L9-Q914 HydrophobicContact CD2-CG 4.29Å; L10-Q914 VanDerWaalsContact CA-CD 3.42Å; L10-Q914 HydrophobicContact CB-CG 3.85Å; L10-Q914 HydrophobicContact CD1-CG 4.18Å; L10-Q914 HydrophobicContact CG-CG 3.74Å; Q914-A916 CarbonylContact O-C 3.56Å; Q914-A916 VanDerWaalsContact O-C 3.31Å; Q914-A916 PolarHBondContact O-N 2.98Å; Q914-L917 VanDerWaalsContact O-CA 3.29Å; Q914-L917 WeakPolarHBondContact O-CA 3.4Å; Q914-L917 WeakPolarHBondContact O-CB 3.33Å; Q914-L917 PolarHBondContact O-N 3.43Å; Q914-E918 PolarHBondContact O-N 2.9Å
915	L	92.1	Very high	93	Very high	9 Å²	9	36 Å²	36	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-52.3	-49.3	-160.2	-140	87.8	0	0	0	111	F6 L7 V8 I881 R911 A912 T913 N919	F6-L915 VanDerWaalsContact C-CD2 3.46Å; F6-L915 HydrophobicContact CB-CD2 4.35Å; F6-L915 WeakPolarHBondContact O-CD2 3.29Å; L7-L915 HydrophobicContact CB-CD1 3.98Å; L7-L915 HydrophobicContact CB-CG 4.3Å; L7-L915 HydrophobicContact CD2-CD1 3.65Å; L7-L915 HydrophobicContact CG-CD1 3.52Å; L7-L915 HydrophobicContact CG-CD2 4.42Å; L7-L915 HydrophobicContact CG-CG 4.31Å; V8-L915 HydrophobicContact CB-CB 4.21Å; V8-L915 HydrophobicContact CB-CD1 4.31Å; V8-L915 HydrophobicContact CB-CG 4.39Å; V8-L915 HydrophobicContact CG1-CB 3.96Å; V8-L915 HydrophobicContact CG1-CD1 3.8Å; V8-L915 HydrophobicContact CG1-CG 4.27Å; I881-L915 HydrophobicContact CD1-CD2 3.06Å; I881-L915 HydrophobicContact CD1-CG 4.37Å; I881-L915 HydrophobicContact CG1-CB 4.06Å; I881-L915 HydrophobicContact CG1-CD2 3.38Å; I881-L915 HydrophobicContact CG1-CG 4.28Å; R911-L915 PolarHBondContact O-N 3.45Å; A912-L915 VanDerWaalsContact C-N 3.29Å; A912-L915 WeakPolarHBondContact O-CA 3.33Å; A912-L915 WeakPolarHBondContact O-CB 3.17Å; A912-L915 PolarHBondContact O-N 2.98Å; T913-L915 PolarHBondContact O-N 3.37Å; L915-N919 PolarHBondContact O-N 3.34Å; L915-N919 PolarHBondContact O-ND2 3.39Å
916	A	94.8	Very high	93.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-49.7	-62.1	167.8	0	0	0	0	0	113.4	I880 T884 V896 F900 Q914 E918 N919 V920	I880-A916 HydrophobicContact CG2-CB 4.17Å; T884-A916 HydrophobicContact CG2-CB 4.21Å; T884-A916 WeakPolarHBondContact OG1-CB 3.32Å; V896-A916 HydrophobicContact CG1-CB 4.34Å; F900-A916 HydrophobicContact CE2-CB 3.96Å; F900-A916 HydrophobicContact CZ-CB 3.96Å; Q914-A916 CarbonylContact O-C 3.56Å; Q914-A916 VanDerWaalsContact O-C 3.31Å; Q914-A916 PolarHBondContact O-N 2.98Å; A916-E918 PolarHBondContact O-N 3.1Å; A916-N919 CarbonylContact O-C 3.42Å; A916-N919 WeakPolarHBondContact O-CA 3.25Å; A916-N919 WeakPolarHBondContact O-CB 3.19Å; A916-N919 PolarHBondContact O-N 2.95Å; A916-V920 VanDerWaalsContact O-CG2 3.27Å; A916-V920 WeakPolarHBondContact O-CG2 3.46Å; A916-V920 PolarHBondContact O-N 2.97Å
917	L	95.8	Very high	93.2	Very high	22 Å²	22	27.1 Å²	27.1	12%	0.115	14%	0.135	C	C	.	.	H	α-helix	trans	-48.5	-48.6	-174.5	-58	-178.9	0	0	0	115.1	V8 L893 V896 Q897 F900 Q914 N919 V920 Q921	V8-L917 HydrophobicContact CG2-CB 4.46Å; L893-L917 HydrophobicContact CD1-CB 4.4Å; L893-L917 HydrophobicContact CD1-CD2 3.89Å; V896-L917 HydrophobicContact CB-CD2 4.27Å; V896-L917 HydrophobicContact CG1-CD2 3.65Å; Q897-L917 HydrophobicContact CG-CD1 4.41Å; Q897-L917 HydrophobicContact CG-CD2 3.58Å; F900-L917 HydrophobicContact CD2-CD1 4.38Å; F900-L917 HydrophobicContact CD2-CD2 4.09Å; F900-L917 HydrophobicContact CD2-CG 4.2Å; F900-L917 HydrophobicContact CE2-CD2 4.07Å; F900-L917 HydrophobicContact CE2-CG 4.12Å; Q914-L917 VanDerWaalsContact O-CA 3.29Å; Q914-L917 WeakPolarHBondContact O-CA 3.4Å; Q914-L917 WeakPolarHBondContact O-CB 3.33Å; Q914-L917 PolarHBondContact O-N 3.43Å; L917-N919 VanDerWaalsContact C-N 3.33Å; L917-V920 PolarHBondContact O-N 3.12Å; L917-Q921 VanDerWaalsContact O-CB 3.3Å; L917-Q921 WeakPolarHBondContact O-CB 3.43Å; L917-Q921 PolarHBondContact O-N 3.02Å
918	E	93.9	Very high	93.4	Very high	9 Å²	9	33.3 Å²	33.3	4%	0.042	16%	0.164	C	C	.	.	H	α-helix	trans	-71.8	-34	179.3	-90.6	174.8	-148.9	0	0	111	V8 L9 L412 N413 T551 Q914 A916 Q921 K922	V8-E918 WeakPolarHBondContact CA-OE2 3.07Å; V8-E918 HydrophobicContact CB-CB 3.95Å; V8-E918 HydrophobicContact CB-CG 4.25Å; V8-E918 HydrophobicContact CG2-CB 3.26Å; V8-E918 VanDerWaalsContact CG2-CD 3.49Å; V8-E918 HydrophobicContact CG2-CG 3.26Å; L9-E918 VanDerWaalsContact CA-OE1 3.24Å; L9-E918 WeakPolarHBondContact CA-OE1 3.35Å; L9-E918 PolarHBondContact N-OE1 2.81Å; L9-E918 PolarHBondContact N-OE2 2.92Å; L412-E918 WeakPolarHBondContact CB-OE2 3.24Å; N413-E918 PolarHBondContact N-OE2 3.34Å; N413-E918 VanDerWaalsContact N-OE2 3.08Å; T551-E918 HydrophobicContact CG2-CB 3.76Å; T551-E918 HydrophobicContact CG2-CG 3.87Å; Q914-E918 PolarHBondContact O-N 2.9Å; A916-E918 PolarHBondContact O-N 3.1Å; E918-Q921 PolarHBondContact O-N 2.98Å; E918-K922 WeakPolarHBondContact O-CB 3.49Å; E918-K922 PolarHBondContact O-N 2.72Å
919	N	92.9	Very high	93.7	Very high	1 Å²	1	33 Å²	33	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-43.5	176	-78.3	-59.4	0	0	0	111.4	F6 L7 L915 A916 L917 Q921 K922 N923	F6-N919 HydrophobicContact CD1-CB 3.54Å; F6-N919 VanDerWaalsContact CD1-ND2 3.26Å; F6-N919 WeakPolarHBondContact CD1-ND2 3.34Å; F6-N919 HydrophobicContact CE1-CB 3.72Å; L7-N919 PolarHBondContact N-ND2 3.26Å; L7-N919 PolarHBondContact O-ND2 3.43Å; L915-N919 PolarHBondContact O-N 3.34Å; L915-N919 PolarHBondContact O-ND2 3.39Å; A916-N919 CarbonylContact O-C 3.42Å; A916-N919 WeakPolarHBondContact O-CA 3.25Å; A916-N919 WeakPolarHBondContact O-CB 3.19Å; A916-N919 PolarHBondContact O-N 2.95Å; L917-N919 VanDerWaalsContact C-N 3.33Å; N919-Q921 VanDerWaalsContact C-N 3.33Å; N919-Q921 PolarHBondContact O-N 3.44Å; N919-K922 PolarHBondContact O-N 3.35Å; N919-K922 PolarHBondContact OD1-NZ 3.09Å; N919-N923 WeakPolarHBondContact O-CB 3.3Å; N919-N923 PolarHBondContact O-N 2.94Å; N919-N923 PolarHBondContact O-ND2 3.25Å; N919-N923 PolarHBondContact O-OD1 2.93Å
920	V	95.3	Very high	94	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-46.7	172.4	-175.1	0	0	0	0	109.9	T884 F887 L893 A916 L917 K922 N923 I924	T884-V920 WeakPolarHBondContact O-CG2 3.42Å; F887-V920 HydrophobicContact CB-CB 4.46Å; F887-V920 HydrophobicContact CB-CG1 3.83Å; F887-V920 HydrophobicContact CB-CG2 3.91Å; L893-V920 HydrophobicContact CB-CG1 3.8Å; L893-V920 HydrophobicContact CD1-CB 4.14Å; L893-V920 HydrophobicContact CD1-CG1 4.2Å; A916-V920 VanDerWaalsContact O-CG2 3.27Å; A916-V920 WeakPolarHBondContact O-CG2 3.46Å; A916-V920 PolarHBondContact O-N 2.97Å; L917-V920 PolarHBondContact O-N 3.12Å; V920-K922 PolarHBondContact O-N 3.41Å; V920-N923 PolarHBondContact O-N 3.21Å; V920-I924 HydrophobicContact CG1-CD1 3.92Å; V920-I924 HydrophobicContact CG1-CG1 4.48Å; V920-I924 VanDerWaalsContact O-CG1 3.29Å; V920-I924 WeakPolarHBondContact O-CG1 3.31Å; V920-I924 PolarHBondContact O-N 3.39Å
921	Q	94.7	Very high	94.1	Very high	76 Å²	76	29.8 Å²	29.8	36%	0.355	13%	0.134	S	C	.	.	H	α-helix	trans	-62.1	-42.7	178.5	-171.5	174.7	23.5	0	0	112.8	L917 E918 N919 I924 R925	L917-Q921 VanDerWaalsContact O-CB 3.3Å; L917-Q921 WeakPolarHBondContact O-CB 3.43Å; L917-Q921 PolarHBondContact O-N 3.02Å; E918-Q921 PolarHBondContact O-N 2.98Å; N919-Q921 VanDerWaalsContact C-N 3.33Å; N919-Q921 PolarHBondContact O-N 3.44Å; Q921-I924 PolarHBondContact O-N 3.26Å; Q921-R925 WeakPolarHBondContact O-CG 3.43Å; Q921-R925 PolarHBondContact O-N 3.01Å
922	K	93.9	Very high	94.3	Very high	16 Å²	16	29.3 Å²	29.3	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-46.3	174.3	174.2	-154.4	72.8	-165	0	110.4	L412 R550 T551 T653 E918 N919 V920 R925 W926	L412-K922 HydrophobicContact CD2-CD 4.43Å; R550-K922 HydrophobicContact CB-CD 4.48Å; T551-K922 HydrophobicContact CG2-CB 4.05Å; T653-K922 HydrophobicContact CG2-CD 4.07Å; T653-K922 HydrophobicContact CG2-CG 3.86Å; E918-K922 WeakPolarHBondContact O-CB 3.49Å; E918-K922 PolarHBondContact O-N 2.72Å; N919-K922 PolarHBondContact O-N 3.35Å; N919-K922 PolarHBondContact OD1-NZ 3.09Å; V920-K922 PolarHBondContact O-N 3.41Å; K922-R925 PolarHBondContact O-N 2.96Å; K922-W926 WeakPolarHBondContact O-CB 3.5Å; K922-W926 PolarHBondContact O-N 3.43Å
923	N	94.3	Very high	94.5	Very high	16 Å²	16	31.7 Å²	31.7	9%	0.086	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-46.4	179.1	-66.5	-11.7	0	0	0	111.3	Q885 F887 N919 V920 R925 W926 V927	Q885-N923 PolarHBondContact O-ND2 3.36Å; F887-N923 VanDerWaalsContact O-CB 3.22Å; F887-N923 WeakPolarHBondContact O-CB 3.5Å; F887-N923 PolarHBondContact O-ND2 3.31Å; N919-N923 WeakPolarHBondContact O-CB 3.3Å; N919-N923 PolarHBondContact O-N 2.94Å; N919-N923 PolarHBondContact O-ND2 3.25Å; N919-N923 PolarHBondContact O-OD1 2.93Å; V920-N923 PolarHBondContact O-N 3.21Å; N923-R925 VanDerWaalsContact C-N 3.35Å; N923-R925 PolarHBondContact O-N 3.43Å; N923-W926 PolarHBondContact O-N 2.98Å; N923-V927 WeakPolarHBondContact O-CG2 3.3Å; N923-V927 PolarHBondContact O-N 3.41Å
924	I	95.1	Very high	94.5	Very high	16 Å²	16	31.1 Å²	31.1	8%	0.082	16%	0.157	C	C	.	.	H	α-helix	trans	-54.7	-51.2	175.7	-69	161.9	0	0	0	110.4	S888 P890 L893 V920 Q921 W926 V927 Q928	S888-I924 VanDerWaalsContact C-CG1 3.46Å; S888-I924 WeakPolarHBondContact O-CG1 3.48Å; P890-I924 HydrophobicContact CG-CG2 4.42Å; L893-I924 HydrophobicContact CB-CD1 3.89Å; L893-I924 HydrophobicContact CD2-CD1 4.02Å; V920-I924 HydrophobicContact CG1-CD1 3.92Å; V920-I924 HydrophobicContact CG1-CG1 4.48Å; V920-I924 VanDerWaalsContact O-CG1 3.29Å; V920-I924 WeakPolarHBondContact O-CG1 3.31Å; V920-I924 PolarHBondContact O-N 3.39Å; Q921-I924 PolarHBondContact O-N 3.26Å; I924-W926 VanDerWaalsContact C-N 3.35Å; I924-W926 PolarHBondContact O-N 3.47Å; I924-V927 PolarHBondContact O-N 3.4Å; I924-Q928 VanDerWaalsContact O-CG 3.3Å; I924-Q928 WeakPolarHBondContact O-CG 3.47Å; I924-Q928 PolarHBondContact O-N 3.17Å
925	R	93.7	Very high	94.6	Very high	65 Å²	65	30.9 Å²	30.9	25%	0.245	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-40.8	179.6	-73.1	178.4	177	-147.7	-6.2	112.1	T551 D556 Q921 K922 N923 Q928 R929	T551-R925 PolarHBondContact O-NH1 3.5Å; D556-R925 IonicContact OD2-CZ 2.77Å; D556-R925 IonicContact OD2-NH1 2.81Å; D556-R925 PolarHBondContact OD2-NH1 3.09Å; Q921-R925 WeakPolarHBondContact O-CG 3.43Å; Q921-R925 PolarHBondContact O-N 3.01Å; K922-R925 PolarHBondContact O-N 2.96Å; N923-R925 VanDerWaalsContact C-N 3.35Å; N923-R925 PolarHBondContact O-N 3.43Å; R925-Q928 PolarHBondContact O-N 3.39Å; R925-R929 PolarHBondContact O-N 3.33Å; R925-R929 VanDerWaalsContact O-N 3.12Å
926	W	94.8	Very high	94.7	Very high	16 Å²	16	35.4 Å²	35.4	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-46.9	178.2	-172	99.5	0	0	0	110.9	L659 F688 K922 N923 I924 R929 N930	L659-W926 HydrophobicContact CD1-CZ2 4.38Å; L659-W926 HydrophobicContact CD2-CH2 4.39Å; L659-W926 HydrophobicContact CD2-CZ2 4.27Å; F688-W926 AromaticContact CD1-CH2 3.4Å; F688-W926 HydrophobicContact CD1-CH2 3.4Å; F688-W926 AromaticContact CD1-CZ2 3.57Å; F688-W926 HydrophobicContact CD1-CZ2 3.57Å; F688-W926 HydrophobicContact CD1-CZ3 4.26Å; F688-W926 AromaticContact CE1-CE2 3.96Å; F688-W926 AromaticContact CE1-CH2 3.52Å; F688-W926 HydrophobicContact CE1-CH2 3.52Å; F688-W926 AromaticContact CE1-CZ2 3.12Å; F688-W926 HydrophobicContact CE1-CZ2 3.12Å; F688-W926 HydrophobicContact CE2-CZ2 4.5Å; F688-W926 HydrophobicContact CG-CH2 4.03Å; F688-W926 HydrophobicContact CG-CZ2 4.44Å; F688-W926 HydrophobicContact CZ-CH2 4.19Å; F688-W926 AromaticContact CZ-CZ2 3.66Å; F688-W926 HydrophobicContact CZ-CZ2 3.66Å; K922-W926 WeakPolarHBondContact O-CB 3.5Å; K922-W926 PolarHBondContact O-N 3.43Å; N923-W926 PolarHBondContact O-N 2.98Å; I924-W926 VanDerWaalsContact C-N 3.35Å; I924-W926 PolarHBondContact O-N 3.47Å; W926-R929 PolarHBondContact O-N 2.9Å; W926-N930 VanDerWaalsContact CD1-ND2 3.33Å; W926-N930 HydrophobicContact CD2-CB 4.19Å; W926-N930 HydrophobicContact CE3-CB 4.32Å; W926-N930 HydrophobicContact CH2-CB 4.1Å; W926-N930 HydrophobicContact CZ2-CB 3.96Å; W926-N930 HydrophobicContact CZ3-CB 4.28Å; W926-N930 PolarHBondContact NE1-ND2 3.38Å; W926-N930 VanDerWaalsContact O-CB 3.25Å; W926-N930 WeakPolarHBondContact O-CB 3.25Å; W926-N930 PolarHBondContact O-N 2.9Å; W926-N930 PolarHBondContact O-ND2 3.43Å
927	V	94.9	Very high	94.7	Very high	9 Å²	9	36 Å²	36	6%	0.055	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-48.7	177.8	171.8	0	0	0	0	110.7	I691 N923 I924 R929 N930 L931	I691-V927 HydrophobicContact CG2-CG2 3.76Å; N923-V927 WeakPolarHBondContact O-CG2 3.3Å; N923-V927 PolarHBondContact O-N 3.41Å; I924-V927 PolarHBondContact O-N 3.4Å; V927-R929 VanDerWaalsContact C-N 3.26Å; V927-R929 PolarHBondContact O-N 3.25Å; V927-N930 PolarHBondContact O-N 3.2Å; V927-L931 HydrophobicContact CG1-CB 4.19Å; V927-L931 HydrophobicContact CG1-CD2 4.05Å; V927-L931 WeakPolarHBondContact O-CB 3.44Å; V927-L931 PolarHBondContact O-N 2.89Å
928	Q	94.2	Very high	94.6	Very high	141 Å²	141	35 Å²	35	66%	0.659	18%	0.181	S	C	*	.	H	α-helix	trans	-55.9	-39.3	-179.9	-75.2	172.5	-11.8	0	0	113	I924 R925	I924-Q928 VanDerWaalsContact O-CG 3.3Å; I924-Q928 WeakPolarHBondContact O-CG 3.47Å; I924-Q928 PolarHBondContact O-N 3.17Å; R925-Q928 PolarHBondContact O-N 3.39Å
929	R	94.4	Very high	94.5	Very high	83 Å²	83	37.9 Å²	37.9	31%	0.313	20%	0.197	S	C	.	.	H	α-helix	trans	-81.7	-39	-179	-176	171.3	62.7	-142.4	-10.2	113.1	H553 V652 T653 G655 R925 W926 V927	H553-R929 PolarHBondContact CE1-NH1 3.49Å; H553-R929 PolarHBondContact ND1-NH1 2.98Å; H553-R929 PolarHBondContact NE2-NH1 3.28Å; V652-R929 PolarHBondContact O-NH2 3.19Å; T653-R929 PolarHBondContact O-NH2 3.25Å; G655-R929 VanDerWaalsContact CA-NH1 3.29Å; R925-R929 PolarHBondContact O-N 3.33Å; R925-R929 VanDerWaalsContact O-N 3.12Å; W926-R929 PolarHBondContact O-N 2.9Å; V927-R929 VanDerWaalsContact C-N 3.26Å; V927-R929 PolarHBondContact O-N 3.25Å
930	N	95.9	Very high	94.4	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-110.6	-18.4	-160	-59.9	-53.4	0	0	0	114.5	L659 W926 V927 G932 V933 L934	L659-N930 HydrophobicContact CB-CB 4.4Å; L659-N930 HydrophobicContact CD2-CB 3.87Å; W926-N930 VanDerWaalsContact CD1-ND2 3.33Å; W926-N930 HydrophobicContact CD2-CB 4.19Å; W926-N930 HydrophobicContact CE3-CB 4.32Å; W926-N930 HydrophobicContact CH2-CB 4.1Å; W926-N930 HydrophobicContact CZ2-CB 3.96Å; W926-N930 HydrophobicContact CZ3-CB 4.28Å; W926-N930 PolarHBondContact NE1-ND2 3.38Å; W926-N930 VanDerWaalsContact O-CB 3.25Å; W926-N930 WeakPolarHBondContact O-CB 3.25Å; W926-N930 PolarHBondContact O-N 2.9Å; W926-N930 PolarHBondContact O-ND2 3.43Å; V927-N930 PolarHBondContact O-N 3.2Å; N930-G932 PolarHBondContact O-N 3.01Å; N930-V933 PolarHBondContact O-N 3.3Å; N930-L934 WeakPolarHBondContact O-CB 3.38Å; N930-L934 PolarHBondContact O-N 2.98Å
931	L	94.5	Very high	94.1	Very high	28 Å²	28	48 Å²	48	15%	0.147	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-43.9	-175.4	-172.3	67.8	0	0	0	112.4	I692 L700 V927 L934 S935	I692-L931 HydrophobicContact CG1-CD1 4.15Å; L700-L931 HydrophobicContact CD2-CD1 3.57Å; L700-L931 HydrophobicContact CD2-CG 4.29Å; V927-L931 HydrophobicContact CG1-CB 4.19Å; V927-L931 HydrophobicContact CG1-CD2 4.05Å; V927-L931 WeakPolarHBondContact O-CB 3.44Å; V927-L931 PolarHBondContact O-N 2.89Å; L931-L934 PolarHBondContact O-N 3.43Å; L931-S935 WeakPolarHBondContact O-CB 3.4Å; L931-S935 PolarHBondContact O-N 3.03Å
932	G	95.4	Very high	93.5	Very high	45 Å²	45	47.4 Å²	47.4	46%	0.464	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-38.1	176.5	0	0	0	0	0	113	N930 S935 N936	N930-G932 PolarHBondContact O-N 3.01Å; G932-S935 PolarHBondContact O-N 2.91Å; G932-N936 WeakPolarHBondContact O-CB 3.44Å; G932-N936 VanDerWaalsContact O-CG 3.3Å; G932-N936 PolarHBondContact O-N 3.43Å; G932-N936 PolarHBondContact O-ND2 3.44Å
933	V	96.1	Very high	92.8	Very high	52 Å²	52	57.4 Å²	57.4	32%	0.315	29%	0.286	S	S	.	.	H	α-helix	trans	-65	-44.6	176.3	-179.2	0	0	0	0	110.6	L659 N660 N930 N936 W937	L659-V933 HydrophobicContact CB-CG1 4.13Å; N660-V933 HydrophobicContact CB-CG1 4.2Å; N930-V933 PolarHBondContact O-N 3.3Å; V933-N936 PolarHBondContact O-N 3.1Å; V933-W937 VanDerWaalsContact O-CB 3.3Å; V933-W937 WeakPolarHBondContact O-CB 3.4Å; V933-W937 PolarHBondContact O-N 3.3Å
934	L	95.3	Very high	92.8	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-45.8	177.1	-179.2	56.1	0	0	0	111.7	L659 L663 F688 I692 N930 L931 W937 L938	L659-L934 HydrophobicContact CD2-CB 3.79Å; L659-L934 HydrophobicContact CD2-CD1 4.43Å; L663-L934 HydrophobicContact CD1-CD1 4.05Å; F688-L934 HydrophobicContact CB-CD2 4.21Å; F688-L934 HydrophobicContact CG-CD2 4.48Å; I692-L934 HydrophobicContact CD1-CD2 3.57Å; N930-L934 WeakPolarHBondContact O-CB 3.38Å; N930-L934 PolarHBondContact O-N 2.98Å; L931-L934 PolarHBondContact O-N 3.43Å; L934-W937 PolarHBondContact O-N 2.95Å; L934-L938 HydrophobicContact CD1-CD1 4.01Å; L934-L938 HydrophobicContact CD1-CG 4.16Å; L934-L938 HydrophobicContact CG-CD1 4.05Å; L934-L938 WeakPolarHBondContact O-CB 3.33Å; L934-L938 WeakPolarHBondContact O-CG 3.47Å; L934-L938 PolarHBondContact O-N 3.12Å
935	S	94.5	Very high	92.6	Very high	38 Å²	38	61.8 Å²	61.8	27%	0.266	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-47.4	177.7	-176.8	0	0	0	0	111.9	L931 G932 L938 N939	L931-S935 WeakPolarHBondContact O-CB 3.4Å; L931-S935 PolarHBondContact O-N 3.03Å; G932-S935 PolarHBondContact O-N 2.91Å; S935-L938 PolarHBondContact O-N 3.08Å; S935-N939 VanDerWaalsContact O-CG 3.23Å; S935-N939 PolarHBondContact O-N 3.13Å; S935-N939 PolarHBondContact O-ND2 3.06Å; S935-N939 VanDerWaalsContact O-ND2 3.13Å
936	N	94.8	Very high	92.6	Very high	105 Å²	105	61.6 Å²	61.6	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-63	-45.4	177.7	-71.7	-18.8	0	0	0	112.1	G932 V933 L938 N939 E940	G932-N936 WeakPolarHBondContact O-CB 3.44Å; G932-N936 VanDerWaalsContact O-CG 3.3Å; G932-N936 PolarHBondContact O-N 3.43Å; G932-N936 PolarHBondContact O-ND2 3.44Å; V933-N936 PolarHBondContact O-N 3.1Å; N936-L938 PolarHBondContact O-N 3.38Å; N936-N939 PolarHBondContact O-N 2.62Å; N936-E940 WeakPolarHBondContact O-CG 3.28Å; N936-E940 PolarHBondContact O-N 2.85Å; N936-E940 VanDerWaalsContact O-N 3.09Å
937	W	95.1	Very high	92.4	Very high	14 Å²	14	64.3 Å²	64.3	5%	0.053	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-43.8	179	-178.1	92	0	0	0	111.7	L663 D664 Y707 V933 L934 N939 E940 Q941	L663-W937 HydrophobicContact CB-CD2 4.11Å; L663-W937 HydrophobicContact CB-CH2 4.15Å; L663-W937 HydrophobicContact CB-CZ2 3.63Å; L663-W937 HydrophobicContact CD1-CB 4.28Å; L663-W937 HydrophobicContact CD1-CD2 3.58Å; L663-W937 HydrophobicContact CD1-CE3 3.75Å; L663-W937 HydrophobicContact CD1-CG 3.82Å; L663-W937 HydrophobicContact CD1-CZ2 4.48Å; L663-W937 HydrophobicContact CD1-CZ3 4.24Å; L663-W937 HydrophobicContact CD2-CH2 4.4Å; L663-W937 HydrophobicContact CD2-CZ3 4.46Å; L663-W937 HydrophobicContact CG-CD2 4.41Å; L663-W937 HydrophobicContact CG-CZ2 4.49Å; D664-W937 PolarHBondContact OD1-NE1 3.44Å; Y707-W937 HydrophobicContact CD1-CZ3 4.37Å; Y707-W937 HydrophobicContact CD2-CZ3 4.45Å; Y707-W937 AromaticContact CE1-CH2 3.84Å; Y707-W937 HydrophobicContact CE1-CH2 3.84Å; Y707-W937 AromaticContact CE1-CZ3 4Å; Y707-W937 HydrophobicContact CE1-CZ3 4Å; Y707-W937 AromaticContact CE2-CH2 3.8Å; Y707-W937 HydrophobicContact CE2-CH2 3.8Å; Y707-W937 HydrophobicContact CE2-CZ3 4.07Å; Y707-W937 AromaticContact CZ-CH2 3.38Å; Y707-W937 AromaticContact CZ-CZ3 3.86Å; Y707-W937 WeakPolarHBondContact OH-CH2 3.44Å; V933-W937 VanDerWaalsContact O-CB 3.3Å; V933-W937 WeakPolarHBondContact O-CB 3.4Å; V933-W937 PolarHBondContact O-N 3.3Å; L934-W937 PolarHBondContact O-N 2.95Å; W937-N939 VanDerWaalsContact C-N 3.34Å; W937-N939 PolarHBondContact O-N 3.48Å; W937-E940 WeakPolarHBondContact O-CB 3.39Å; W937-E940 PolarHBondContact O-N 2.79Å; W937-E940 VanDerWaalsContact O-N 3.1Å; W937-Q941 HydrophobicContact CD2-CG 3.89Å; W937-Q941 HydrophobicContact CE3-CG 3.9Å; W937-Q941 HydrophobicContact CH2-CG 3.77Å; W937-Q941 HydrophobicContact CZ2-CG 3.69Å; W937-Q941 HydrophobicContact CZ3-CG 3.85Å; W937-Q941 WeakPolarHBondContact O-CG 3.44Å; W937-Q941 PolarHBondContact O-N 3.02Å
938	L	93.6	Very high	92.3	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-41.4	175.8	-76.8	169	0	0	0	111.8	L700 L704 Y707 L934 S935 N936 E940 Q941 M942	L700-L938 HydrophobicContact CD1-CD1 3.67Å; L704-L938 HydrophobicContact CB-CD1 3.98Å; L704-L938 HydrophobicContact CD1-CD1 4.22Å; L704-L938 HydrophobicContact CD1-CD2 4.11Å; Y707-L938 HydrophobicContact CD1-CD2 4.17Å; Y707-L938 HydrophobicContact CD2-CD2 4.33Å; Y707-L938 HydrophobicContact CG-CD2 3.8Å; L934-L938 HydrophobicContact CD1-CD1 4.01Å; L934-L938 HydrophobicContact CD1-CG 4.16Å; L934-L938 HydrophobicContact CG-CD1 4.05Å; L934-L938 WeakPolarHBondContact O-CB 3.33Å; L934-L938 WeakPolarHBondContact O-CG 3.47Å; L934-L938 PolarHBondContact O-N 3.12Å; S935-L938 PolarHBondContact O-N 3.08Å; N936-L938 PolarHBondContact O-N 3.38Å; L938-E940 PolarHBondContact O-N 3.44Å; L938-Q941 PolarHBondContact O-N 3.13Å; L938-M942 WeakPolarHBondContact O-CB 3.42Å; L938-M942 VanDerWaalsContact O-CG 3.25Å; L938-M942 WeakPolarHBondContact O-CG 3.38Å; L938-M942 PolarHBondContact O-N 3.03Å
939	N	90.8	Very high	92.2	Very high	69 Å²	69	62.9 Å²	62.9	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-28.1	175.9	-70.6	-31.2	0	0	0	112.7	S935 N936 W937 K943	S935-N939 VanDerWaalsContact O-CG 3.23Å; S935-N939 PolarHBondContact O-N 3.13Å; S935-N939 PolarHBondContact O-ND2 3.06Å; S935-N939 VanDerWaalsContact O-ND2 3.13Å; N936-N939 PolarHBondContact O-N 2.62Å; W937-N939 VanDerWaalsContact C-N 3.34Å; W937-N939 PolarHBondContact O-N 3.48Å; N939-K943 WeakPolarHBondContact O-CG 3.34Å
940	E	91.8	Very high	92	Very high	120 Å²	120	61.4 Å²	61.4	56%	0.561	32%	0.321	S	S	*	.	H	α-helix	trans	-75.4	-41.4	173.1	-70.8	174.9	177.1	0	0	112	N936 W937 L938 M942 K943	N936-E940 WeakPolarHBondContact O-CG 3.28Å; N936-E940 PolarHBondContact O-N 2.85Å; N936-E940 VanDerWaalsContact O-N 3.09Å; W937-E940 WeakPolarHBondContact O-CB 3.39Å; W937-E940 PolarHBondContact O-N 2.79Å; W937-E940 VanDerWaalsContact O-N 3.1Å; L938-E940 PolarHBondContact O-N 3.44Å; E940-M942 VanDerWaalsContact C-N 3.25Å; E940-M942 PolarHBondContact O-N 2.86Å; E940-K943 PolarHBondContact O-N 3.4Å
941	Q	88.2	Confident	91.7	Very high	94 Å²	94	65.8 Å²	65.8	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-70	-21.3	177.7	-61.4	-51.4	-50.2	0	0	113.7	Y707 W937 L938	Y707-Q941 HydrophobicContact CD2-CB 4.06Å; Y707-Q941 HydrophobicContact CE2-CB 4.01Å; Y707-Q941 HydrophobicContact CE2-CG 4.08Å; W937-Q941 HydrophobicContact CD2-CG 3.89Å; W937-Q941 HydrophobicContact CE3-CG 3.9Å; W937-Q941 HydrophobicContact CH2-CG 3.77Å; W937-Q941 HydrophobicContact CZ2-CG 3.69Å; W937-Q941 HydrophobicContact CZ3-CG 3.85Å; W937-Q941 WeakPolarHBondContact O-CG 3.44Å; W937-Q941 PolarHBondContact O-N 3.02Å; L938-Q941 PolarHBondContact O-N 3.13Å
942	M	83.3	Confident	91.5	Very high	63 Å²	63	69 Å²	69	31%	0.31	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-4.5	-179.9	-70.9	-175.6	66	0	0	114.4	N703 K706 L938 E940	N703-M942 HydrophobicContact CB-CE 4.32Å; N703-M942 HydrophobicContact CB-SD 3.47Å; N703-M942 WeakPolarHBondContact CB-SD 3.49Å; N703-M942 WeakPolarHBondContact OD1-CE 3.41Å; K706-M942 HydrophobicContact CD-CE 4.02Å; L938-M942 WeakPolarHBondContact O-CB 3.42Å; L938-M942 VanDerWaalsContact O-CG 3.25Å; L938-M942 WeakPolarHBondContact O-CG 3.38Å; L938-M942 PolarHBondContact O-N 3.03Å; E940-M942 VanDerWaalsContact C-N 3.25Å; E940-M942 PolarHBondContact O-N 2.86Å
943	K	78.8	Confident	91.1	Very high	227 Å²	227	71.2 Å²	71.2	99%	0.987	35%	0.352	S	S	*	.			trans	-81.2	0	169.6	-74.6	170.3	-175	173.5	0	109.9	N939 E940	N939-K943 WeakPolarHBondContact O-CG 3.34Å; E940-K943 PolarHBondContact O-N 3.4Å

Retrieved 943 of 943 residues in 335.3 ms (Link to these results)

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