A0A087XBB7_POEFO Loading...

Oxysterol-binding protein

Phosphoinositide-binding protein which associates with both cell and endoplasmic reticulum (ER) membranes. Can bind to the ER membrane protein VAPA and recruit VAPA to plasma membrane sites, thus linking these intracellular compartments. The ORP3-VAPA complex stimulates RRAS signaling which in turn attenuates integrin beta-1 (ITGB1) activation at the cell surface. With VAPA, may regulate ER morphology. Has a role in regulation of the actin cytoskeleton, cell polarity and cell adhesion. Binds to phosphoinositides with preference for PI(3,4)P2 and PI(3,4,5)P3. Also binds 25-hydroxycholesterol and cholesterol.

AlphaFold DB , UniProt , Accession A0A087XBB7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 884 aa.

						>A0A087XBB7_POEFO|A0A087XBB7
MSSEDRNSAMSQKIPSLSRSNSSSSSKQDSRQDSWEIVEGLRAGVSNVLEPQKQEGYMLKRRKWPMKGWHKRYFSLDKGILKYGKSSADIEKGKLHGCIDVGLSVMAIKKKSKCIDLDAEENIYHLKIKSQELFDEWVSKLRHHRLYRQNEIAMCANEKSFFFPMYPSPNSPGIAEGPSLRKVMSIRRQSSVLPASGFPLSSSSQVKVAAWLQSSDDMDKCSKDLTVCEAYLQELNHLIQSMEVLHRTYSAPSIQALQTSTLDSPKKEKRLQRKWRNKNDSKDVKTTLQVPSCTSSGSIRLHASNPNLSTATLGSDKVDSESLDSQSDVAKLQEDFCRVATNLHTTMKSVLSSLTSERERLKQCLDHDSYPPTSPQVVNLKNTLAAAFAQNSELRERLNKIHAESQIVEPSLINLPAPVQKQDSAEDPHPLVHQVSNESRASVAESLSEFFDAQEVLLSASSSENEASDDDSYISDISDNVSMDNFSNETESERPNAGSVEEGSALCTRRSCLPTPSPTNSTISLWNILRNNIGKDLSKVTMPVHLNEPLNALQRLCEELDNSELLDRAAITQDPFERMIYIATFVVSGYASSFYRTGGKPFNPVLGETYECDRPDKGFRFVSEQVSHHPPISACHAESKNFVFWQDVRCKNKFWGKSMEIVPVGTTHVMLPRFGDHYEWNKVTSCIHNILSGQRWIEHYGEVSIRNSNSNVCQCKIAFIKARYWNSSVNEVEGTITDVKGKVVHRLFGKWHEAVYCGDPPSATCIWRASPMPMNYEQYYGFTKFAIELNELEPSLKQLLPPTDTRLRVDQRLLEEGDLEAAEEQKQRIEQLQRDRRRVLEENNMSHQPKFFRKSKEDAWVSNNTYWELRRDPGFSHIEFPTLW
					

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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	33	Very low	28.3	Very low	229 Å²	229	145.8 Å²	145.8	100%	1.128	82%	0.817	S	S	*	*				0	88.4	0	-57.2	169.9	85.1	0	0	104.5
2	S	28.1	Very low	28.3	Very low	99 Å²	99	147.7 Å²	147.7	69%	0.692	81%	0.814	S	S	*	*				78	113.9	89	66.4	0	0	0	0	110.2
3	S	27.7	Very low	28.1	Very low	96 Å²	96	151.4 Å²	151.4	67%	0.671	82%	0.817	S	S	*	*				71.1	140.6	111	66	0	0	0	0	114.8
4	E	30.6	Very low	28	Very low	185 Å²	185	152.7 Å²	152.7	86%	0.864	82%	0.821	S	S	*	*			cis	-171	162.9	-2.7	-99.9	157.2	153	0	0	106
5	D	30.7	Very low	28.1	Very low	125 Å²	125	149.6 Å²	149.6	67%	0.668	81%	0.812	S	S	*	*			cis	-161.4	179.8	-25.3	-173.1	23.6	0	0	0	107.9
6	R	30.5	Very low	27.8	Very low	200 Å²	200	147.7 Å²	147.7	76%	0.755	81%	0.814	S	S	*	*			trans	17.7	126.4	160.6	-70.5	161.8	-165.2	-143.7	-5.6	120.2
7	N	26.1	Very low	27.8	Very low	162 Å²	162	148.9 Å²	148.9	87%	0.866	82%	0.818	S	S	*	*				-166.3	168.7	91.4	-111.3	-40	0	0	0	114.7
8	S	27.4	Very low	27.7	Very low	115 Å²	115	146.8 Å²	146.8	80%	0.804	82%	0.816	S	S	*	*			trans	-103.2	143.7	-158.4	-54.1	0	0	0	0	116.3
9	A	26.4	Very low	28	Very low	105 Å²	105	151.4 Å²	151.4	87%	0.868	82%	0.819	S	S	*	*			trans	-163.6	121.4	139.2	0	0	0	0	0	111
10	M	25.9	Very low	27.8	Very low	166 Å²	166	149.7 Å²	149.7	82%	0.818	82%	0.819	S	S	*	*			trans	-106.1	131.8	170.7	-82.4	-178.4	65.4	0	0	111.2	Q12	M10-Q12 HydrophobicContact CE-CG 4.34Å
11	S	25.2	Very low	27.8	Very low	122 Å²	122	150.1 Å²	150.1	85%	0.853	82%	0.82	S	S	*	*			trans	-148.3	139.3	143.1	-168.6	0	0	0	0	108.4
12	Q	27.8	Very low	27.6	Very low	168 Å²	168	144.1 Å²	144.1	79%	0.785	80%	0.801	S	S	*	*			trans	-89.3	143.2	-163.1	-72.3	179.4	-29.3	0	0	113.2	M10	M10-Q12 HydrophobicContact CE-CG 4.34Å
13	K	25.8	Very low	27.5	Very low	196 Å²	196	144.8 Å²	144.8	85%	0.852	81%	0.806	S	S	*	*			trans	-80.8	146.6	169.9	-63.5	175.5	179.5	175.1	0	110.2
14	I	27	Very low	27.5	Very low	170 Å²	170	146 Å²	146	87%	0.872	81%	0.814	S	S	*	*			trans	-107.5	127.1	144.2	-62.3	179.6	0	0	0	106.2
15	P	29.4	Very low	27.5	Very low	106 Å²	106	142.6 Å²	142.6	69%	0.688	81%	0.811	S	S	*	*			trans	-84.3	149.5	-171.2	33	-35	0	0	0	113.1
16	S	23.2	Very low	27.5	Very low	119 Å²	119	142.3 Å²	142.3	83%	0.832	82%	0.819	S	S	*	*			trans	-77.2	154.1	162.1	47.3	0	0	0	0	111.2
17	L	27.3	Very low	27.6	Very low	169 Å²	169	142.3 Å²	142.3	89%	0.885	82%	0.824	S	S	*	*			trans	-127.6	161.5	172.2	-105.8	158.2	0	0	0	110.9
18	S	27.4	Very low	27.8	Very low	111 Å²	111	143.5 Å²	143.5	78%	0.776	83%	0.825	S	S	*	*			trans	-103.5	165.7	-145.2	43.5	0	0	0	0	115.8
19	R	31.7	Very low	28.1	Very low	234 Å²	234	146.1 Å²	146.1	88%	0.883	83%	0.829	S	S	*	*			trans	-72.3	146.9	174	-64.6	172.3	171.1	168.7	-5.2	112.3
20	S	25.7	Very low	28.4	Very low	116 Å²	116	144.7 Å²	144.7	81%	0.811	81%	0.813	S	S	*	*			trans	-148.8	140.8	141.3	42.2	0	0	0	0	110.6
21	N	26.7	Very low	29.2	Very low	159 Å²	159	147.5 Å²	147.5	85%	0.85	81%	0.814	S	S	*	*			trans	-87.3	171.6	166.8	-48.2	-37	0	0	0	107.7
22	S	28.1	Very low	30	Very low	103 Å²	103	148.8 Å²	148.8	72%	0.72	81%	0.807	S	S	*	*			cis	-148.6	169.4	6.3	58.9	0	0	0	0	108.6
23	S	27.1	Very low	31	Very low	114 Å²	114	144.6 Å²	144.6	80%	0.797	79%	0.79	S	S	*	*				-173.6	158.5	79.4	-65.1	0	0	0	0	111.9
24	S	27.7	Very low	32	Very low	121 Å²	121	138.5 Å²	138.5	85%	0.846	77%	0.772	S	S	*	*			trans	-87.7	137	-167.8	53.7	0	0	0	0	115.3
25	S	29.7	Very low	33.2	Very low	114 Å²	114	135 Å²	135	80%	0.797	75%	0.748	S	S	*	*			trans	-126.9	107.7	154.7	179.2	0	0	0	0	108.6	K27	S25-K27 PolarHBondContact O-N 3.07Å
26	S	30.9	Very low	34.8	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	73%	0.731	S	S	*	*			trans	-83.2	108.6	-173.7	54.7	0	0	0	0	112
27	K	32.8	Very low	36.3	Very low	199 Å²	199	130.5 Å²	130.5	87%	0.865	71%	0.706	S	S	*	*			trans	-111.8	140.6	154.8	-72.9	-173.6	176.2	-179.3	0	108.9	S25 D29	S25-K27 PolarHBondContact O-N 3.07Å; K27-D29 PolarHBondContact O-N 3.33Å
28	Q	30.8	Very low	38.1	Very low	188 Å²	188	123.2 Å²	123.2	88%	0.879	67%	0.668	S	S	*	*			trans	-73.2	110	-170.2	-67.2	171.3	-22.9	0	0	110.9	S30	Q28-S30 VanDerWaalsContact C-N 3.34Å; Q28-S30 PolarHBondContact O-N 3.21Å
29	D	34.1	Very low	39.5	Very low	170 Å²	170	121.8 Å²	121.8	91%	0.909	65%	0.649	S	S	*	*			trans	-72.3	92.1	167.8	-172.9	3.3	0	0	0	109.4	K27	K27-D29 PolarHBondContact O-N 3.33Å
30	S	33.3	Very low	40.7	Very low	74 Å²	74	112.3 Å²	112.3	52%	0.517	63%	0.625	S	S	.	*			trans	-132.4	110.3	-168	178.3	0	0	0	0	110.4	Q28	Q28-S30 VanDerWaalsContact C-N 3.34Å; Q28-S30 PolarHBondContact O-N 3.21Å
31	R	40.7	Very low	41.9	Very low	226 Å²	226	109 Å²	109	85%	0.853	60%	0.598	S	S	*	*			trans	71.8	86.8	165.4	-52.1	168.7	-175.8	-169.9	0.8	116.6
32	Q	42.1	Very low	43.2	Very low	148 Å²	148	109.9 Å²	109.9	69%	0.692	59%	0.589	S	S	*	*				-112.9	138.9	117.3	-69.1	-160.7	7.3	0	0	111.4	S34 K111	Q32-S34 PolarHBondContact OE1-OG 2.84Å; Q32-K111 PolarHBondContact O-NZ 3.3Å
33	D	48.8	Very low	43.7	Very low	80 Å²	80	110.2 Å²	110.2	43%	0.428	60%	0.598	S	S	.	*			trans	-129.1	48.5	168.2	-179.4	33.6	0	0	0	107.9	K109 K111	D33-K109 VanDerWaalsContact CG-CE 3.42Å; D33-K109 PolarHBondContact O-NZ 2.8Å; D33-K109 WeakPolarHBondContact OD1-CE 3.41Å; D33-K109 IonicContact OD1-NZ 2.71Å; D33-K109 PolarHBondContact OD1-NZ 3.39Å; D33-K109 WeakPolarHBondContact OD2-CE 3.25Å; D33-K109 IonicContact OD2-NZ 2.92Å; D33-K109 PolarHBondContact OD2-NZ 2.69Å; D33-K111 HydrophobicContact CB-CD 4.21Å; D33-K111 WeakPolarHBondContact OD1-CB 3.28Å; D33-K111 WeakPolarHBondContact OD1-CD 3.45Å
34	S	47.1	Very low	44.7	Very low	68 Å²	68	108.6 Å²	108.6	48%	0.476	60%	0.599	S	S	.	*			trans	-78.7	160.9	-173.5	37	0	0	0	0	112.3	Q32	Q32-S34 PolarHBondContact OE1-OG 2.84Å
35	W	52.3	Low	45.9	Very low	97 Å²	97	106.5 Å²	106.5	37%	0.367	58%	0.581	S	S	.	*			trans	-87	132.4	167.8	-72.6	89.7	0	0	0	109.5	A107 K109 C114 D116	W35-A107 HydrophobicContact CE3-CB 3.89Å; W35-A107 HydrophobicContact CZ3-CB 4.48Å; W35-K109 HydrophobicContact CD2-CB 3.62Å; W35-K109 HydrophobicContact CD2-CD 4.19Å; W35-K109 HydrophobicContact CD2-CG 4.45Å; W35-K109 HydrophobicContact CE3-CB 3.57Å; W35-K109 HydrophobicContact CG-CB 4.28Å; W35-K109 HydrophobicContact CG-CD 4.45Å; W35-K109 HydrophobicContact CH2-CB 4.04Å; W35-K109 HydrophobicContact CZ2-CB 4.07Å; W35-K109 HydrophobicContact CZ2-CD 4.11Å; W35-K109 HydrophobicContact CZ3-CB 3.78Å; W35-C114 HydrophobicContact CH2-CB 3.57Å; W35-C114 HydrophobicContact CZ2-CB 4.37Å; W35-C114 HydrophobicContact CZ3-CB 4.12Å; W35-D116 HydrophobicContact CH2-CB 4.2Å; W35-D116 VanDerWaalsContact CH2-CG 3.45Å; W35-D116 WeakPolarHBondContact CH2-OD1 3.33Å; W35-D116 HydrophobicContact CZ3-CB 3.99Å
36	E	63.9	Low	47.1	Very low	70 Å²	70	104.1 Å²	104.1	33%	0.327	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.6	107.9	175	-179.4	-179.2	139.5	0	0	108.6	I108 K110 R142	E36-I108 PolarHBondContact N-O 2.81Å; E36-I108 PolarHBondContact O-N 3.25Å; E36-K110 IonicContact OE1-NZ 2.74Å; E36-K110 PolarHBondContact OE1-NZ 3.47Å; E36-K110 VanDerWaalsContact OE2-CE 3.26Å; E36-K110 WeakPolarHBondContact OE2-CE 3.49Å; E36-K110 IonicContact OE2-NZ 2.69Å; E36-K110 PolarHBondContact OE2-NZ 3.24Å; E36-R142 IonicContact OE1-CZ 2.7Å; E36-R142 IonicContact OE1-NH1 3.99Å; E36-R142 IonicContact OE1-NH2 3.89Å; E36-R142 PolarHBondContact OE1-NH2 3.26Å
37	I	54.5	Low	48.4	Very low	61 Å²	61	105.6 Å²	105.6	31%	0.313	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.2	130.9	170.4	-60.9	-173.7	0	0	0	108.6	E39 V105 M106 A107 I533	I37-E39 PolarHBondContact O-N 3.45Å; I37-V105 HydrophobicContact CG2-CG1 4.16Å; I37-M106 WeakPolarHBondContact CA-O 3.31Å; I37-A107 HydrophobicContact CG1-CB 4.29Å; I37-I533 HydrophobicContact CD1-CD1 3.66Å
38	V	64.9	Low	50.4	Low	16 Å²	16	97.2 Å²	97.2	10%	0.097	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-77	116.7	175.9	-178.2	0	0	0	0	109.1	M106 I108 R142 R145	V38-M106 HydrophobicContact CB-CB 4.16Å; V38-M106 HydrophobicContact CB-CG 4.31Å; V38-M106 HydrophobicContact CB-SD 4.28Å; V38-M106 HydrophobicContact CG2-CB 4.22Å; V38-M106 HydrophobicContact CG2-CE 4.45Å; V38-M106 HydrophobicContact CG2-CG 3.82Å; V38-M106 HydrophobicContact CG2-SD 3.75Å; V38-M106 PolarHBondContact N-O 3.47Å; V38-I108 HydrophobicContact CG2-CD1 3.33Å; V38-I108 HydrophobicContact CG2-CG1 3.96Å; V38-R142 HydrophobicContact CG1-CG 3.89Å; V38-R142 HydrophobicContact CG2-CG 4.39Å; V38-R145 PolarHBondContact O-NH1 2.9Å
39	E	57.1	Low	52.8	Low	80 Å²	80	95.1 Å²	95.1	37%	0.374	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-57.8	151.4	174.8	-58.9	-155.7	139	0	0	111.8	I37 R42 R145 R530	I37-E39 PolarHBondContact O-N 3.45Å; E39-R42 IonicContact OE1-NH2 3.78Å; E39-R42 IonicContact OE2-CZ 2.67Å; E39-R42 IonicContact OE2-NE 2.71Å; E39-R42 PolarHBondContact OE2-NE 3.13Å; E39-R42 IonicContact OE2-NH2 3.36Å; E39-R42 PolarHBondContact OE2-NH2 3.19Å; E39-R145 PolarHBondContact O-NH1 3.01Å; E39-R530 IonicContact OE1-CZ 2.77Å; E39-R530 VanDerWaalsContact OE1-CZ 3.29Å; E39-R530 IonicContact OE1-NH1 3.36Å; E39-R530 PolarHBondContact OE1-NH1 3.04Å; E39-R530 IonicContact OE1-NH2 3.67Å; E39-R530 PolarHBondContact OE1-NH2 3.07Å
40	G	57.3	Low	55.2	Low	36 Å²	36	92 Å²	92	37%	0.371	50%	0.503	S	S	.	.			trans	-84.5	178.8	171.7	0	0	0	0	0	112.3	R42 Q149	G40-R42 PolarHBondContact O-N 3.49Å; G40-Q149 VanDerWaalsContact CA-OE1 3.29Å
41	L	50.8	Low	57.9	Low	47 Å²	47	88.5 Å²	88.5	25%	0.246	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-57.6	118.5	174.6	-150.6	154.8	0	0	0	110.4	V45 L146 Q149 N150	L41-V45 HydrophobicContact CD2-CB 4.27Å; L41-L146 HydrophobicContact CB-CD1 4.06Å; L41-L146 HydrophobicContact CD1-CD1 4Å; L41-L146 HydrophobicContact CG-CD1 3.81Å; L41-Q149 HydrophobicContact CB-CB 4.16Å; L41-Q149 HydrophobicContact CD1-CB 4.07Å; L41-N150 HydrophobicContact CD1-CB 3.78Å
42	R	52.7	Low	60.3	Low	176 Å²	176	85.4 Å²	85.4	66%	0.664	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-83.5	138.4	171.3	-61.2	-175.8	-176.2	-165.7	2.1	108.6	E39 G40 G44	E39-R42 IonicContact OE1-NH2 3.78Å; E39-R42 IonicContact OE2-CZ 2.67Å; E39-R42 IonicContact OE2-NE 2.71Å; E39-R42 PolarHBondContact OE2-NE 3.13Å; E39-R42 IonicContact OE2-NH2 3.36Å; E39-R42 PolarHBondContact OE2-NH2 3.19Å; G40-R42 PolarHBondContact O-N 3.49Å; R42-G44 PolarHBondContact O-N 2.6Å
43	A	40.1	Very low	62.7	Low	110 Å²	110	82.9 Å²	82.9	91%	0.909	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	129.6	-175.3	0	0	0	0	0	112.5
44	G	48.4	Very low	64.9	Low	80 Å²	80	79.9 Å²	79.9	83%	0.825	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.1	-4.4	175.8	0	0	0	0	0	117	R42	R42-G44 PolarHBondContact O-N 2.6Å
45	V	51.5	Low	67.2	Low	77 Å²	77	80.1 Å²	80.1	47%	0.467	44%	0.438	S	S	.	.			trans	-96.8	101.1	176.2	-173.2	0	0	0	0	110.1	L41 V48 N150	L41-V45 HydrophobicContact CD2-CB 4.27Å; V45-V48 HydrophobicContact CG1-CG2 4.39Å; V45-N150 PolarHBondContact O-OD1 3.26Å
46	S	55.1	Low	69.2	Low	64 Å²	64	76.2 Å²	76.2	45%	0.448	43%	0.427	S	S	.	.			trans	-92.4	-30.3	-172.5	49	0	0	0	0	115.8	N150 M154	S46-N150 PolarHBondContact O-ND2 2.66Å; S46-M154 VanDerWaalsContact CA-CE 3.49Å; S46-M154 WeakPolarHBondContact O-CE 3.5Å
47	N	58	Low	70.7	Confident	151 Å²	151	78.1 Å²	78.1	81%	0.807	43%	0.432	S	S	*	.			trans	-110.8	92.1	-172.1	-70	-19.7	0	0	0	111.6
48	V	74.1	Confident	72.7	Confident	22 Å²	22	75.4 Å²	75.4	13%	0.133	42%	0.418	C	S	.	.			trans	-106.6	120.6	169.8	-171.2	0	0	0	0	108.8	V45 L146 Y147 N150	V45-V48 HydrophobicContact CG1-CG2 4.39Å; V48-L146 HydrophobicContact CG1-CD2 4.26Å; V48-L146 HydrophobicContact CG1-CG 4.36Å; V48-L146 HydrophobicContact CG2-CD2 4.19Å; V48-L146 HydrophobicContact CG2-CG 4.13Å; V48-Y147 HydrophobicContact CG1-CD2 4.45Å; V48-N150 HydrophobicContact CB-CB 4.14Å; V48-N150 HydrophobicContact CG2-CB 3.84Å
49	L	82	Confident	74.1	Confident	144 Å²	144	76.2 Å²	76.2	75%	0.754	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-67.6	153.4	179.5	-68.9	171.7	0	0	0	111.7	P51 H143	L49-P51 WeakPolarHBondContact O-CD 3.17Å; L49-H143 PolarHBondContact O-NE2 3.41Å
50	E	84.6	Confident	75.8	Confident	104 Å²	104	73.2 Å²	73.2	49%	0.486	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-65.5	123.9	176.4	-168.9	-179.5	152.5	0	0	111.1	K78 Y147	E50-K78 VanDerWaalsContact OE1-CE 3.27Å; E50-K78 WeakPolarHBondContact OE1-CE 3.44Å; E50-K78 WeakPolarHBondContact OE1-CG 3.28Å; E50-K78 IonicContact OE1-NZ 2.92Å; E50-K78 PolarHBondContact OE1-NZ 2.65Å; E50-K78 IonicContact OE2-NZ 3.29Å; E50-K78 PolarHBondContact OE2-NZ 3.32Å; E50-Y147 HydrophobicContact CB-CE2 4.25Å; E50-Y147 HydrophobicContact CG-CE1 4.22Å; E50-Y147 HydrophobicContact CG-CE2 4.39Å
51	P	90.6	Very high	77.2	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.013	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-81.9	127.7	-176.8	30.1	-34.1	0	0	0	112.4	L49 K53 H143 H144 Y147	L49-P51 WeakPolarHBondContact O-CD 3.17Å; P51-K53 PolarHBondContact O-N 2.77Å; P51-H143 HydrophobicContact CB-CB 4.37Å; P51-H144 HydrophobicContact CG-CB 4.38Å; P51-H144 VanDerWaalsContact CG-ND1 3.33Å; P51-H144 WeakPolarHBondContact CG-ND1 3.5Å; P51-H144 PolarHBondContact O-CE1 3.44Å; P51-Y147 VanDerWaalsContact CD-CD1 3.4Å; P51-Y147 HydrophobicContact CG-CD1 3.82Å; P51-Y147 HydrophobicContact CG-CG 3.9Å
52	Q	90.9	Very high	78.4	Confident	161 Å²	161	79.6 Å²	79.6	75%	0.752	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-55.6	122.3	173.3	-69.1	177.7	-14	0	0	112.4	K140 H144	Q52-K140 PolarHBondContact O-NZ 2.92Å; Q52-H144 PolarHBondContact O-NE2 3.43Å
53	K	92.2	Very high	79.2	Confident	94 Å²	94	79.9 Å²	79.9	41%	0.409	42%	0.423	S	S	.	.			trans	-34.4	136.6	170.9	-167	-174.3	-170.7	-148.8	0	113.2	P51 E55 S75 L76 D77	P51-K53 PolarHBondContact O-N 2.77Å; K53-E55 HydrophobicContact CD-CG 4.28Å; K53-E55 VanDerWaalsContact CE-OE1 3.32Å; K53-E55 WeakPolarHBondContact CE-OE1 3.35Å; K53-E55 WeakPolarHBondContact CE-OE2 3.48Å; K53-E55 HydrophobicContact CG-CG 4.15Å; K53-E55 IonicContact NZ-OE1 3.81Å; K53-E55 PolarHBondContact NZ-OE1 3.14Å; K53-E55 IonicContact NZ-OE2 2.72Å; K53-E55 PolarHBondContact NZ-OE2 2.74Å; K53-S75 WeakPolarHBondContact CE-OG 3.21Å; K53-L76 WeakPolarHBondContact CA-O 3.32Å; K53-L76 WeakPolarHBondContact CG-O 3.1Å; K53-D77 HydrophobicContact CG-CB 3.99Å
54	Q	95.1	Very high	80	Confident	17 Å²	17	84.5 Å²	84.5	8%	0.079	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.8	179	-173.1	69.4	14.6	0	0	110.8	L76 E136 W137 K140	Q54-L76 HydrophobicContact CB-CB 4.27Å; Q54-L76 HydrophobicContact CB-CD2 4.4Å; Q54-L76 PolarHBondContact N-O 3.17Å; Q54-L76 PolarHBondContact O-N 2.82Å; Q54-E136 VanDerWaalsContact NE2-CD 3.34Å; Q54-E136 PolarHBondContact NE2-OE1 3.31Å; Q54-W137 HydrophobicContact CB-CH2 4.35Å; Q54-W137 HydrophobicContact CB-CZ3 4.31Å; Q54-W137 HydrophobicContact CG-CD2 4.09Å; Q54-W137 HydrophobicContact CG-CE3 4.01Å; Q54-W137 HydrophobicContact CG-CH2 3.81Å; Q54-W137 HydrophobicContact CG-CZ2 3.89Å; Q54-W137 HydrophobicContact CG-CZ3 3.87Å; Q54-K140 HydrophobicContact CB-CB 4.08Å; Q54-K140 HydrophobicContact CB-CD 4.15Å; Q54-K140 HydrophobicContact CB-CG 4.04Å; Q54-K140 HydrophobicContact CG-CB 4.04Å; Q54-K140 HydrophobicContact CG-CD 4.46Å; Q54-K140 HydrophobicContact CG-CG 3.87Å
55	E	95.6	Very high	79.8	Confident	74 Å²	74	86.2 Å²	86.2	35%	0.346	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.7	-178	-48.4	-162.9	95	0	0	111.9	K53 Y73 F74 S75	K53-E55 HydrophobicContact CD-CG 4.28Å; K53-E55 VanDerWaalsContact CE-OE1 3.32Å; K53-E55 WeakPolarHBondContact CE-OE1 3.35Å; K53-E55 WeakPolarHBondContact CE-OE2 3.48Å; K53-E55 HydrophobicContact CG-CG 4.15Å; K53-E55 IonicContact NZ-OE1 3.81Å; K53-E55 PolarHBondContact NZ-OE1 3.14Å; K53-E55 IonicContact NZ-OE2 2.72Å; K53-E55 PolarHBondContact NZ-OE2 2.74Å; E55-Y73 HydrophobicContact CB-CE1 4.13Å; E55-Y73 WeakPolarHBondContact CB-OH 3.31Å; E55-F74 VanDerWaalsContact CA-O 3.29Å; E55-F74 WeakPolarHBondContact CA-O 3.47Å; E55-S75 WeakPolarHBondContact OE1-CB 3.24Å; E55-S75 PolarHBondContact OE1-OG 2.98Å
56	G	94.7	Very high	80.3	Confident	14 Å²	14	87.6 Å²	87.6	14%	0.144	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.5	-175.4	-179.6	0	0	0	0	0	115.4	Y73 F74	G56-Y73 CarbonylContact O-C 3.6Å; G56-Y73 WeakPolarHBondContact O-CA 3.35Å; G56-F74 PolarHBondContact N-O 2.75Å; G56-F74 PolarHBondContact O-N 3.47Å
57	Y	95	Very high	80.9	Confident	110 Å²	110	91.9 Å²	91.9	43%	0.431	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.9	-175.8	-73.8	-75.8	0	0	0	113.1	K71 R72 Y73	Y57-K71 HydrophobicContact CD1-CD 4.11Å; Y57-K71 HydrophobicContact CD1-CG 3.81Å; Y57-K71 HydrophobicContact CG-CD 4.38Å; Y57-K71 HydrophobicContact CG-CG 4.3Å; Y57-R72 WeakPolarHBondContact CA-O 3.11Å; Y57-Y73 AromaticContact CD1-CD2 3.93Å; Y57-Y73 HydrophobicContact CD1-CD2 3.93Å; Y57-Y73 HydrophobicContact CD1-CG 4.48Å; Y57-Y73 AromaticContact CD2-CD2 3.86Å; Y57-Y73 HydrophobicContact CD2-CD2 3.86Å; Y57-Y73 HydrophobicContact CD2-CE2 4.32Å; Y57-Y73 AromaticContact CE1-CD2 3.78Å; Y57-Y73 HydrophobicContact CE1-CD2 3.78Å; Y57-Y73 HydrophobicContact CE1-CG 4.23Å; Y57-Y73 AromaticContact CE2-CD2 3.67Å; Y57-Y73 HydrophobicContact CE2-CD2 3.67Å; Y57-Y73 HydrophobicContact CE2-CE2 4.13Å; Y57-Y73 AromaticContact CG-CD2 3.98Å; Y57-Y73 HydrophobicContact CG-CD2 3.98Å; Y57-Y73 AromaticContact CZ-CD2 3.62Å
58	M	95.3	Very high	82	Confident	4 Å²	4	85.9 Å²	85.9	2%	0.02	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	163.9	171.3	-61.4	-170.3	-85.6	0	0	111.1	K71 R72 F74 L126 I128 W137	M58-K71 WeakPolarHBondContact O-CA 3.19Å; M58-R72 PolarHBondContact N-O 2.81Å; M58-R72 PolarHBondContact O-N 2.82Å; M58-F74 HydrophobicContact CB-CD2 3.79Å; M58-F74 HydrophobicContact CB-CE2 3.81Å; M58-F74 HydrophobicContact CE-CB 3.68Å; M58-F74 HydrophobicContact CE-CD1 3.88Å; M58-F74 HydrophobicContact CE-CD2 3.8Å; M58-F74 HydrophobicContact CE-CE1 4.45Å; M58-F74 HydrophobicContact CE-CE2 4.37Å; M58-F74 HydrophobicContact CE-CG 3.52Å; M58-F74 HydrophobicContact CG-CD2 4.31Å; M58-L126 HydrophobicContact CE-CD1 3.96Å; M58-L126 HydrophobicContact SD-CD1 4.15Å; M58-I128 HydrophobicContact CG-CD1 4.32Å; M58-I128 HydrophobicContact CG-CG1 4.06Å; M58-I128 HydrophobicContact SD-CD1 3.73Å; M58-I128 HydrophobicContact SD-CG1 3.96Å; M58-W137 HydrophobicContact CE-CD2 3.85Å; M58-W137 HydrophobicContact CE-CE3 3.58Å; M58-W137 HydrophobicContact CE-CH2 3.81Å; M58-W137 HydrophobicContact CE-CZ2 4.05Å; M58-W137 HydrophobicContact CE-CZ3 3.56Å; M58-W137 HydrophobicContact SD-CD2 3.76Å; M58-W137 HydrophobicContact SD-CE3 4.03Å; M58-W137 HydrophobicContact SD-CG 4.03Å
59	L	94.5	Very high	82.7	Confident	33 Å²	33	89.8 Å²	89.8	17%	0.173	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.7	171.4	-57.7	174.1	0	0	0	109.4	W69 H70 K71 L126 K127 K129	L59-W69 HydrophobicContact CB-CB 4.32Å; L59-W69 HydrophobicContact CB-CE3 3.97Å; L59-W69 HydrophobicContact CD1-CB 4.48Å; L59-W69 WeakPolarHBondContact O-CZ3 3.37Å; L59-H70 CarbonylContact C-O 3.55Å; L59-H70 WeakPolarHBondContact CA-O 3.2Å; L59-K71 HydrophobicContact CD2-CB 4.11Å; L59-L126 CarbonylContact O-C 3.56Å; L59-L126 WeakPolarHBondContact O-CA 3.46Å; L59-K127 HydrophobicContact CB-CB 4.27Å; L59-K127 VanDerWaalsContact CB-O 3.31Å; L59-K127 WeakPolarHBondContact CB-O 3.34Å; L59-K127 PolarHBondContact N-O 2.68Å; L59-K127 PolarHBondContact O-N 3.41Å; L59-K129 HydrophobicContact CD1-CG 4.49Å
60	K	93.6	Very high	83	Confident	17 Å²	17	84.7 Å²	84.7	7%	0.074	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.4	170.2	-161.4	177.7	-159.4	-81.1	0	110	H70 R72 F74 Y83 Y124 L126	K60-H70 PolarHBondContact N-O 2.79Å; K60-H70 PolarHBondContact O-N 3.43Å; K60-R72 HydrophobicContact CB-CG 4.42Å; K60-F74 HydrophobicContact CB-CE2 4.48Å; K60-F74 HydrophobicContact CB-CZ 4.1Å; K60-F74 HydrophobicContact CD-CZ 4.17Å; K60-F74 HydrophobicContact CG-CZ 4.33Å; K60-Y83 HydrophobicContact CD-CD1 4.38Å; K60-Y83 HydrophobicContact CD-CD2 4.2Å; K60-Y83 HydrophobicContact CD-CE1 3.87Å; K60-Y83 HydrophobicContact CD-CE2 3.64Å; K60-Y83 VanDerWaalsContact CD-CZ 3.47Å; K60-Y124 VanDerWaalsContact CE-CD1 3.44Å; K60-L126 HydrophobicContact CB-CD2 4.3Å; K60-L126 HydrophobicContact CG-CD2 4.08Å
61	R	86.1	Confident	83.5	Confident	139 Å²	139	85.8 Å²	85.8	53%	0.525	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	140.4	171.2	-161.2	177.8	178.9	-173.5	0.8	110	W69 H125	R61-W69 HydrophobicContact CB-CD2 4.28Å; R61-W69 HydrophobicContact CB-CE3 3.9Å; R61-W69 HydrophobicContact CB-CH2 4.03Å; R61-W69 HydrophobicContact CB-CZ2 4.38Å; R61-W69 HydrophobicContact CB-CZ3 3.77Å; R61-W69 HydrophobicContact CG-CD2 4.48Å; R61-W69 HydrophobicContact CG-CZ2 4.44Å; R61-H125 HydrophobicContact CB-CB 3.79Å; R61-H125 PolarHBondContact N-O 3.17Å
62	R	77.6	Confident	83.7	Confident	78 Å²	78	87.3 Å²	87.3	29%	0.294	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.1	172.1	-77.8	-174.7	160.9	-150.7	-12.7	111	M66 K67 G68	R62-M66 WeakPolarHBondContact CB-O 3.48Å; R62-K67 WeakPolarHBondContact O-CA 3.19Å; R62-G68 PolarHBondContact N-O 3.25Å; R62-G68 PolarHBondContact O-N 3.36Å; R62-G68 VanDerWaalsContact O-N 3.13Å
63	K	68.4	Low	84	Confident	182 Å²	182	81.6 Å²	81.6	79%	0.791	37%	0.365	S	S	*	.			trans	-84.9	-173.5	168.4	-63	-178.5	-179.1	177.1	0	109.2	M66 K67	K63-M66 CarbonylContact O-C 3.33Å; K63-M66 PolarHBondContact O-N 2.81Å; K63-K67 PolarHBondContact O-N 3.29Å
64	W	56.6	Low	84.2	Confident	208 Å²	208	77.1 Å²	77.1	79%	0.788	35%	0.346	S	S	*	.	S	Bend	trans	-56.5	151.4	174.9	-76	102.8	0	0	0	111.8	K67	W64-K67 HydrophobicContact CZ2-CD 4.48Å
65	P	43.9	Very low	84.2	Confident	115 Å²	115	76.6 Å²	76.6	75%	0.747	34%	0.344	S	S	*	.	S	Bend	cis	-73.4	-30	-1.6	27.8	-33.6	0	0	0	113.7	K67	P65-K67 VanDerWaalsContact C-N 3.33Å; P65-K67 PolarHBondContact O-N 2.76Å
66	M	62	Low	84.3	Confident	107 Å²	107	73.1 Å²	73.1	53%	0.527	33%	0.328	S	S	.	.	S	Bend	trans	-87.3	61.5	-175.4	-63.9	-63.4	-71.8	0	0	112.7	R62 K63 G68 H70	R62-M66 WeakPolarHBondContact CB-O 3.48Å; K63-M66 CarbonylContact O-C 3.33Å; K63-M66 PolarHBondContact O-N 2.81Å; M66-G68 PolarHBondContact O-N 3.49Å; M66-G68 VanDerWaalsContact O-N 3.14Å; M66-H70 PolarHBondContact O-CE1 2.83Å
67	K	69.3	Low	84.3	Confident	154 Å²	154	75.4 Å²	75.4	67%	0.67	34%	0.337	S	S	*	.			trans	-63.1	108.2	-177	-177.2	-179.2	177	-177	0	111.8	R62 K63 W64 P65	R62-K67 WeakPolarHBondContact O-CA 3.19Å; K63-K67 PolarHBondContact O-N 3.29Å; W64-K67 HydrophobicContact CZ2-CD 4.48Å; P65-K67 VanDerWaalsContact C-N 3.33Å; P65-K67 PolarHBondContact O-N 2.76Å
68	G	80.7	Confident	84.1	Confident	24 Å²	24	74.8 Å²	74.8	25%	0.247	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.3	-178.6	175.8	0	0	0	0	0	116.5	R62 M66 H70	R62-G68 PolarHBondContact N-O 3.25Å; R62-G68 PolarHBondContact O-N 3.36Å; R62-G68 VanDerWaalsContact O-N 3.13Å; M66-G68 PolarHBondContact O-N 3.49Å; M66-G68 VanDerWaalsContact O-N 3.14Å; G68-H70 PolarHBondContact O-ND1 2.77Å
69	W	87.5	Confident	83.8	Confident	104 Å²	104	74.6 Å²	74.6	39%	0.394	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.4	179.1	-70.2	105.9	0	0	0	111.7	L59 R61 H125 K127	L59-W69 HydrophobicContact CB-CB 4.32Å; L59-W69 HydrophobicContact CB-CE3 3.97Å; L59-W69 HydrophobicContact CD1-CB 4.48Å; L59-W69 WeakPolarHBondContact O-CZ3 3.37Å; R61-W69 HydrophobicContact CB-CD2 4.28Å; R61-W69 HydrophobicContact CB-CE3 3.9Å; R61-W69 HydrophobicContact CB-CH2 4.03Å; R61-W69 HydrophobicContact CB-CZ2 4.38Å; R61-W69 HydrophobicContact CB-CZ3 3.77Å; R61-W69 HydrophobicContact CG-CD2 4.48Å; R61-W69 HydrophobicContact CG-CZ2 4.44Å; W69-H125 HydrophobicContact CH2-CB 4.07Å; W69-H125 HydrophobicContact CZ3-CB 4.4Å; W69-H125 WeakPolarHBondContact CZ3-O 3.33Å; W69-K127 HydrophobicContact CD2-CB 4.3Å; W69-K127 HydrophobicContact CE3-CB 3.8Å; W69-K127 HydrophobicContact CH2-CB 3.76Å; W69-K127 HydrophobicContact CZ2-CB 4.25Å; W69-K127 HydrophobicContact CZ2-CD 4.46Å; W69-K127 HydrophobicContact CZ3-CB 3.52Å
70	H	89.9	Confident	83.7	Confident	38 Å²	38	75 Å²	75	18%	0.176	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.5	-174.2	-71.7	76.9	0	0	0	111.6	L59 K60 M66 G68 R72	L59-H70 CarbonylContact C-O 3.55Å; L59-H70 WeakPolarHBondContact CA-O 3.2Å; K60-H70 PolarHBondContact N-O 2.79Å; K60-H70 PolarHBondContact O-N 3.43Å; M66-H70 PolarHBondContact O-CE1 2.83Å; G68-H70 PolarHBondContact O-ND1 2.77Å; H70-R72 PolarHBondContact O-N 3.45Å
71	K	94.3	Very high	83.7	Confident	126 Å²	126	74.1 Å²	74.1	55%	0.548	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	126.4	171.2	-172.2	-178.4	177.2	-172	0	109.5	Y57 M58 L59	Y57-K71 HydrophobicContact CD1-CD 4.11Å; Y57-K71 HydrophobicContact CD1-CG 3.81Å; Y57-K71 HydrophobicContact CG-CD 4.38Å; Y57-K71 HydrophobicContact CG-CG 4.3Å; M58-K71 WeakPolarHBondContact O-CA 3.19Å; L59-K71 HydrophobicContact CD2-CB 4.11Å
72	R	95.5	Very high	84.2	Confident	35 Å²	35	71.7 Å²	71.7	13%	0.132	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	148	176.6	-70.1	-66.2	176.2	-93.9	7.8	108.9	Y57 M58 K60 H70 F74 Y83 G84	Y57-R72 WeakPolarHBondContact CA-O 3.11Å; M58-R72 PolarHBondContact N-O 2.81Å; M58-R72 PolarHBondContact O-N 2.82Å; K60-R72 HydrophobicContact CB-CG 4.42Å; H70-R72 PolarHBondContact O-N 3.45Å; R72-F74 HydrophobicContact CB-CD2 4.3Å; R72-F74 HydrophobicContact CB-CE2 3.77Å; R72-F74 HydrophobicContact CB-CZ 4.49Å; R72-F74 WeakPolarHBondContact O-CD2 3.22Å; R72-Y83 HydrophobicContact CB-CD2 3.91Å; R72-Y83 HydrophobicContact CG-CD2 3.91Å; R72-Y83 HydrophobicContact CG-CE2 4.04Å; R72-G84 WeakPolarHBondContact CB-O 3.5Å; R72-G84 WeakPolarHBondContact CD-O 3.3Å
73	Y	96.1	Very high	85	Confident	40 Å²	40	68.8 Å²	68.8	16%	0.157	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.9	171.3	-163.9	-102	0	0	0	108.6	E55 G56 Y57 Y83 G84 S87 I90	E55-Y73 HydrophobicContact CB-CE1 4.13Å; E55-Y73 WeakPolarHBondContact CB-OH 3.31Å; G56-Y73 CarbonylContact O-C 3.6Å; G56-Y73 WeakPolarHBondContact O-CA 3.35Å; Y57-Y73 AromaticContact CD1-CD2 3.93Å; Y57-Y73 HydrophobicContact CD1-CD2 3.93Å; Y57-Y73 HydrophobicContact CD1-CG 4.48Å; Y57-Y73 AromaticContact CD2-CD2 3.86Å; Y57-Y73 HydrophobicContact CD2-CD2 3.86Å; Y57-Y73 HydrophobicContact CD2-CE2 4.32Å; Y57-Y73 AromaticContact CE1-CD2 3.78Å; Y57-Y73 HydrophobicContact CE1-CD2 3.78Å; Y57-Y73 HydrophobicContact CE1-CG 4.23Å; Y57-Y73 AromaticContact CE2-CD2 3.67Å; Y57-Y73 HydrophobicContact CE2-CD2 3.67Å; Y57-Y73 HydrophobicContact CE2-CE2 4.13Å; Y57-Y73 AromaticContact CG-CD2 3.98Å; Y57-Y73 HydrophobicContact CG-CD2 3.98Å; Y57-Y73 AromaticContact CZ-CD2 3.62Å; Y73-Y83 CarbonylContact O-C 3.5Å; Y73-Y83 VanDerWaalsContact O-CA 3.23Å; Y73-Y83 WeakPolarHBondContact O-CA 3.26Å; Y73-Y83 WeakPolarHBondContact O-CB 3.43Å; Y73-G84 PolarHBondContact N-O 3.38Å; Y73-G84 VanDerWaalsContact N-O 3.09Å; Y73-G84 PolarHBondContact O-N 2.78Å; Y73-S87 VanDerWaalsContact CD1-CA 3.46Å; Y73-S87 VanDerWaalsContact CE1-CB 3.48Å; Y73-I90 HydrophobicContact CD1-CD1 3.84Å; Y73-I90 HydrophobicContact CD1-CG1 4.43Å
74	F	96.5	Very high	86.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.2	-179	-77	-97	0	0	0	109.8	E55 G56 M58 K60 R72 L81 K82 Y83 Y124 L126 W137	E55-F74 VanDerWaalsContact CA-O 3.29Å; E55-F74 WeakPolarHBondContact CA-O 3.47Å; G56-F74 PolarHBondContact N-O 2.75Å; G56-F74 PolarHBondContact O-N 3.47Å; M58-F74 HydrophobicContact CB-CD2 3.79Å; M58-F74 HydrophobicContact CB-CE2 3.81Å; M58-F74 HydrophobicContact CE-CB 3.68Å; M58-F74 HydrophobicContact CE-CD1 3.88Å; M58-F74 HydrophobicContact CE-CD2 3.8Å; M58-F74 HydrophobicContact CE-CE1 4.45Å; M58-F74 HydrophobicContact CE-CE2 4.37Å; M58-F74 HydrophobicContact CE-CG 3.52Å; M58-F74 HydrophobicContact CG-CD2 4.31Å; K60-F74 HydrophobicContact CB-CE2 4.48Å; K60-F74 HydrophobicContact CB-CZ 4.1Å; K60-F74 HydrophobicContact CD-CZ 4.17Å; K60-F74 HydrophobicContact CG-CZ 4.33Å; R72-F74 HydrophobicContact CB-CD2 4.3Å; R72-F74 HydrophobicContact CB-CE2 3.77Å; R72-F74 HydrophobicContact CB-CZ 4.49Å; R72-F74 WeakPolarHBondContact O-CD2 3.22Å; F74-L81 HydrophobicContact CB-CD1 4.29Å; F74-L81 HydrophobicContact CD1-CD1 3.86Å; F74-L81 HydrophobicContact CD1-CD2 4.14Å; F74-L81 HydrophobicContact CD1-CG 3.94Å; F74-L81 HydrophobicContact CE1-CD2 4.3Å; F74-L81 HydrophobicContact CE1-CG 4.48Å; F74-K82 WeakPolarHBondContact CA-O 3.44Å; F74-Y83 VanDerWaalsContact CD1-CB 3.44Å; F74-Y83 HydrophobicContact CD1-CG 4.36Å; F74-Y83 VanDerWaalsContact CE1-CB 3.47Å; F74-Y83 HydrophobicContact CE1-CD1 4.25Å; F74-Y83 AromaticContact CE1-CG 3.9Å; F74-Y83 HydrophobicContact CE1-CG 3.9Å; F74-Y83 HydrophobicContact CZ-CD2 4.37Å; F74-Y83 HydrophobicContact CZ-CG 4.1Å; F74-Y124 HydrophobicContact CE1-CD2 4.39Å; F74-L126 HydrophobicContact CE1-CD2 3.83Å; F74-L126 HydrophobicContact CE2-CD2 4.14Å; F74-L126 HydrophobicContact CZ-CD2 3.37Å; F74-W137 HydrophobicContact CB-CH2 4.02Å
75	S	95.9	Very high	87.8	Confident	7 Å²	7	56 Å²	56	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121	175.1	-171.7	0	0	0	0	108	K53 E55 L81 K82	K53-S75 WeakPolarHBondContact CE-OG 3.21Å; E55-S75 WeakPolarHBondContact OE1-CB 3.24Å; E55-S75 PolarHBondContact OE1-OG 2.98Å; S75-L81 CarbonylContact O-C 3.58Å; S75-L81 WeakPolarHBondContact O-CA 3.16Å; S75-K82 PolarHBondContact N-O 3.5Å; S75-K82 PolarHBondContact O-N 3.38Å
76	L	96.1	Very high	90.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.6	179.5	175	66.7	0	0	0	108.2	K53 Q54 I80 L81 V101 W137 K140 L141 H144	K53-L76 WeakPolarHBondContact CA-O 3.32Å; K53-L76 WeakPolarHBondContact CG-O 3.1Å; Q54-L76 HydrophobicContact CB-CB 4.27Å; Q54-L76 HydrophobicContact CB-CD2 4.4Å; Q54-L76 PolarHBondContact N-O 3.17Å; Q54-L76 PolarHBondContact O-N 2.82Å; L76-I80 WeakPolarHBondContact CA-O 3.17Å; L76-L81 HydrophobicContact CB-CD1 3.81Å; L76-L81 HydrophobicContact CD1-CB 4.04Å; L76-L81 HydrophobicContact CD1-CD1 4.17Å; L76-L81 HydrophobicContact CG-CD1 4.5Å; L76-V101 HydrophobicContact CD1-CG1 4.28Å; L76-V101 HydrophobicContact CD1-CG2 4.08Å; L76-W137 HydrophobicContact CB-CZ3 4Å; L76-W137 HydrophobicContact CD2-CZ3 4.29Å; L76-K140 HydrophobicContact CD2-CB 4.37Å; L76-L141 HydrophobicContact CD1-CD2 4.04Å; L76-L141 HydrophobicContact CD2-CD2 3.63Å; L76-L141 HydrophobicContact CD2-CG 3.93Å; L76-L141 HydrophobicContact CG-CD2 4.46Å; L76-H144 HydrophobicContact CD1-CB 4.01Å; L76-H144 HydrophobicContact CD2-CB 4.02Å; L76-H144 WeakPolarHBondContact CD2-CD2 3.43Å; L76-H144 HydrophobicContact CG-CB 4.08Å
77	D	94.8	Very high	91.6	Very high	62 Å²	62	48.8 Å²	48.8	33%	0.332	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	132.6	-173.1	-159.4	-2.8	0	0	0	111	K53 G79 I80	K53-D77 HydrophobicContact CG-CB 3.99Å; D77-G79 PolarHBondContact O-N 3.21Å; D77-I80 PolarHBondContact N-O 3.41Å; D77-I80 PolarHBondContact O-N 2.78Å
78	K	91.4	Very high	92.6	Very high	98 Å²	98	43.2 Å²	43.2	43%	0.426	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.8	20.9	-176.1	-63.5	-178.4	-175.4	-84.6	0	117.2	E50 Y147	E50-K78 VanDerWaalsContact OE1-CE 3.27Å; E50-K78 WeakPolarHBondContact OE1-CE 3.44Å; E50-K78 WeakPolarHBondContact OE1-CG 3.28Å; E50-K78 IonicContact OE1-NZ 2.92Å; E50-K78 PolarHBondContact OE1-NZ 2.65Å; E50-K78 IonicContact OE2-NZ 3.29Å; E50-K78 PolarHBondContact OE2-NZ 3.32Å; K78-Y147 HydrophobicContact CB-CE1 4.25Å
79	G	89.3	Confident	92.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.9	0.9	-175.8	0	0	0	0	0	115.8	D77 V101 H144	D77-G79 PolarHBondContact O-N 3.21Å; G79-V101 VanDerWaalsContact O-CG2 3.26Å; G79-V101 WeakPolarHBondContact O-CG2 3.28Å; G79-V101 PolarHBondContact O-N 3.05Å; G79-H144 PolarHBondContact N-ND1 3.29Å
80	I	92.9	Very high	92.9	Very high	40 Å²	40	40 Å²	40	21%	0.205	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.5	-177.6	-51	-57.6	0	0	0	109.6	L76 D77 K82 C98 I99 D100	L76-I80 WeakPolarHBondContact CA-O 3.17Å; D77-I80 PolarHBondContact N-O 3.41Å; D77-I80 PolarHBondContact O-N 2.78Å; I80-K82 HydrophobicContact CG2-CG 4.17Å; I80-C98 WeakPolarHBondContact CG2-SG 3.32Å; I80-I99 CarbonylContact C-O 3.56Å; I80-I99 WeakPolarHBondContact CA-O 3.48Å; I80-D100 HydrophobicContact CD1-CB 3.99Å; I80-D100 WeakPolarHBondContact CD1-OD2 3.14Å
81	L	94.1	Very high	92.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.1	179.5	-175.9	69.7	0	0	0	110.9	F74 S75 L76 C98 I99 V101 L117 Y124 L126 W137 L141	F74-L81 HydrophobicContact CB-CD1 4.29Å; F74-L81 HydrophobicContact CD1-CD1 3.86Å; F74-L81 HydrophobicContact CD1-CD2 4.14Å; F74-L81 HydrophobicContact CD1-CG 3.94Å; F74-L81 HydrophobicContact CE1-CD2 4.3Å; F74-L81 HydrophobicContact CE1-CG 4.48Å; S75-L81 CarbonylContact O-C 3.58Å; S75-L81 WeakPolarHBondContact O-CA 3.16Å; L76-L81 HydrophobicContact CB-CD1 3.81Å; L76-L81 HydrophobicContact CD1-CB 4.04Å; L76-L81 HydrophobicContact CD1-CD1 4.17Å; L76-L81 HydrophobicContact CG-CD1 4.5Å; L81-C98 CarbonylContact O-C 3.52Å; L81-C98 WeakPolarHBondContact O-CA 3.1Å; L81-I99 HydrophobicContact CB-CG2 4.16Å; L81-I99 PolarHBondContact N-O 2.68Å; L81-I99 PolarHBondContact O-N 3.26Å; L81-V101 HydrophobicContact CB-CG1 3.9Å; L81-L117 HydrophobicContact CD2-CD1 3.43Å; L81-L117 VanDerWaalsContact CD2-CD1 3.43Å; L81-Y124 HydrophobicContact CD2-CD2 4.49Å; L81-L126 HydrophobicContact CD2-CD1 4.32Å; L81-W137 HydrophobicContact CD1-CZ3 4.22Å; L81-L141 HydrophobicContact CD2-CD2 4.45Å
82	K	94.6	Very high	92.2	Very high	87 Å²	87	46.4 Å²	46.4	38%	0.378	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	150.8	178.2	-63	171.8	-176.2	175	0	110.4	F74 S75 I80 L95	F74-K82 WeakPolarHBondContact CA-O 3.44Å; S75-K82 PolarHBondContact N-O 3.5Å; S75-K82 PolarHBondContact O-N 3.38Å; I80-K82 HydrophobicContact CG2-CG 4.17Å; K82-L95 HydrophobicContact CB-CD1 4.36Å; K82-L95 HydrophobicContact CB-CD2 4.11Å; K82-L95 HydrophobicContact CD-CD1 4.03Å; K82-L95 HydrophobicContact CG-CD1 4.16Å
83	Y	95.1	Very high	91.5	Very high	17 Å²	17	47.4 Å²	47.4	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.9	176	86.9	-85.1	0	0	0	115.1	K60 R72 Y73 F74 H96 G97 Y124	K60-Y83 HydrophobicContact CD-CD1 4.38Å; K60-Y83 HydrophobicContact CD-CD2 4.2Å; K60-Y83 HydrophobicContact CD-CE1 3.87Å; K60-Y83 HydrophobicContact CD-CE2 3.64Å; K60-Y83 VanDerWaalsContact CD-CZ 3.47Å; R72-Y83 HydrophobicContact CB-CD2 3.91Å; R72-Y83 HydrophobicContact CG-CD2 3.91Å; R72-Y83 HydrophobicContact CG-CE2 4.04Å; Y73-Y83 CarbonylContact O-C 3.5Å; Y73-Y83 VanDerWaalsContact O-CA 3.23Å; Y73-Y83 WeakPolarHBondContact O-CA 3.26Å; Y73-Y83 WeakPolarHBondContact O-CB 3.43Å; F74-Y83 VanDerWaalsContact CD1-CB 3.44Å; F74-Y83 HydrophobicContact CD1-CG 4.36Å; F74-Y83 VanDerWaalsContact CE1-CB 3.47Å; F74-Y83 HydrophobicContact CE1-CD1 4.25Å; F74-Y83 AromaticContact CE1-CG 3.9Å; F74-Y83 HydrophobicContact CE1-CG 3.9Å; F74-Y83 HydrophobicContact CZ-CD2 4.37Å; F74-Y83 HydrophobicContact CZ-CG 4.1Å; Y83-H96 HydrophobicContact CD2-CB 4.04Å; Y83-H96 HydrophobicContact CE1-CB 4.42Å; Y83-H96 VanDerWaalsContact CE1-O 3.23Å; Y83-H96 WeakPolarHBondContact CE1-O 3.46Å; Y83-H96 HydrophobicContact CE2-CB 3.59Å; Y83-H96 PolarHBondContact O-N 3.01Å; Y83-H96 PolarHBondContact OH-O 3.48Å; Y83-G97 WeakPolarHBondContact CD1-O 3.13Å; Y83-G97 PolarHBondContact N-O 2.96Å; Y83-G97 VanDerWaalsContact N-O 3.08Å; Y83-Y124 AromaticContact CD1-CE2 3.73Å; Y83-Y124 HydrophobicContact CD1-CE2 3.73Å; Y83-Y124 AromaticContact CE1-CE2 3.84Å; Y83-Y124 HydrophobicContact CE1-CE2 3.84Å; Y83-Y124 AromaticContact CE1-CZ 3.75Å
84	G	92.9	Very high	91	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	-175.9	-179.4	0	0	0	0	0	112.7	R72 Y73	R72-G84 WeakPolarHBondContact CB-O 3.5Å; R72-G84 WeakPolarHBondContact CD-O 3.3Å; Y73-G84 PolarHBondContact N-O 3.38Å; Y73-G84 VanDerWaalsContact N-O 3.09Å; Y73-G84 PolarHBondContact O-N 2.78Å
85	K	91.3	Very high	90.7	Very high	123 Å²	123	55.3 Å²	55.3	54%	0.535	29%	0.285	S	S	.	.	S	Bend	trans	-72.6	-47.7	172.9	-67.5	166.7	-179.7	168.7	0	110.3	D89 H96	K85-D89 WeakPolarHBondContact CB-OD2 3.11Å; K85-H96 VanDerWaalsContact CE-NE2 3.33Å; K85-H96 WeakPolarHBondContact CE-NE2 3.47Å
86	S	93.3	Very high	90.2	Very high	36 Å²	36	57.9 Å²	57.9	25%	0.252	30%	0.296	S	S	.	.	S	Bend	trans	-127.9	177	176.5	70.3	0	0	0	0	111.6	D89	S86-D89 WeakPolarHBondContact CB-OD2 3.26Å; S86-D89 PolarHBondContact N-OD2 2.85Å; S86-D89 PolarHBondContact O-N 2.75Å; S86-D89 PolarHBondContact OG-N 2.77Å; S86-D89 PolarHBondContact OG-OD2 2.77Å
87	S	92.8	Very high	89.7	Confident	34 Å²	34	59 Å²	59	24%	0.238	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-44.5	172.4	67	0	0	0	0	111.5	Y73 D89 I90 E91	Y73-S87 VanDerWaalsContact CD1-CA 3.46Å; Y73-S87 VanDerWaalsContact CE1-CB 3.48Å; S87-D89 PolarHBondContact O-N 3.23Å; S87-D89 VanDerWaalsContact O-N 3.08Å; S87-I90 WeakPolarHBondContact O-CA 3.19Å; S87-I90 WeakPolarHBondContact O-CB 3.48Å; S87-I90 PolarHBondContact O-N 2.83Å; S87-E91 WeakPolarHBondContact CB-OE1 3.13Å; S87-E91 WeakPolarHBondContact O-CG 3.46Å; S87-E91 PolarHBondContact O-N 2.85Å; S87-E91 PolarHBondContact OG-OE1 3.44Å
88	A	90.1	Very high	89.4	Confident	36 Å²	36	58.9 Å²	58.9	30%	0.298	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-20	177.1	0	0	0	0	0	114	E91 K92	A88-E91 PolarHBondContact N-OE1 2.95Å; A88-K92 WeakPolarHBondContact O-CB 3.37Å; A88-K92 WeakPolarHBondContact O-CD 3.42Å; A88-K92 WeakPolarHBondContact O-CG 3.37Å; A88-K92 PolarHBondContact O-N 3.08Å
89	D	86.8	Confident	89.1	Confident	35 Å²	35	54.5 Å²	54.5	19%	0.187	29%	0.292	C	S	.	.	H	α-helix	trans	-74.7	-40.1	168.4	-63.7	-73.7	0	0	0	111.9	K85 S86 S87 K92 G93 K94	K85-D89 WeakPolarHBondContact CB-OD2 3.11Å; S86-D89 WeakPolarHBondContact CB-OD2 3.26Å; S86-D89 PolarHBondContact N-OD2 2.85Å; S86-D89 PolarHBondContact O-N 2.75Å; S86-D89 PolarHBondContact OG-N 2.77Å; S86-D89 PolarHBondContact OG-OD2 2.77Å; S87-D89 PolarHBondContact O-N 3.23Å; S87-D89 VanDerWaalsContact O-N 3.08Å; D89-K92 CarbonylContact O-C 3.22Å; D89-K92 PolarHBondContact O-N 3.04Å; D89-G93 PolarHBondContact O-N 3.3Å; D89-K94 HydrophobicContact CB-CB 4.24Å; D89-K94 WeakPolarHBondContact O-CA 3.37Å; D89-K94 PolarHBondContact O-N 3.35Å
90	I	87.2	Confident	89	Confident	27 Å²	27	55.8 Å²	55.8	14%	0.138	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-45.1	177.2	-60.3	-165.4	0	0	0	110.4	Y73 S87 K92 G93 L95	Y73-I90 HydrophobicContact CD1-CD1 3.84Å; Y73-I90 HydrophobicContact CD1-CG1 4.43Å; S87-I90 WeakPolarHBondContact O-CA 3.19Å; S87-I90 WeakPolarHBondContact O-CB 3.48Å; S87-I90 PolarHBondContact O-N 2.83Å; I90-K92 PolarHBondContact O-N 3.35Å; I90-G93 PolarHBondContact O-N 2.95Å; I90-L95 HydrophobicContact CB-CD2 4.27Å; I90-L95 HydrophobicContact CG1-CD2 4.08Å; I90-L95 HydrophobicContact CG2-CD2 4Å
91	E	83.7	Confident	88.6	Confident	141 Å²	141	53.9 Å²	53.9	66%	0.659	29%	0.289	S	S	*	.	H	α-helix	trans	-56.3	-34.3	174.9	-65.5	153.1	-141.4	0	0	111.9	S87 A88	S87-E91 WeakPolarHBondContact CB-OE1 3.13Å; S87-E91 WeakPolarHBondContact O-CG 3.46Å; S87-E91 PolarHBondContact O-N 2.85Å; S87-E91 PolarHBondContact OG-OE1 3.44Å; A88-E91 PolarHBondContact N-OE1 2.95Å
92	K	85.2	Confident	87.9	Confident	156 Å²	156	54.1 Å²	54.1	68%	0.678	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	16.9	177.6	-63.6	174.6	-174	-178.9	0	113.7	A88 D89 I90 K94	A88-K92 WeakPolarHBondContact O-CB 3.37Å; A88-K92 WeakPolarHBondContact O-CD 3.42Å; A88-K92 WeakPolarHBondContact O-CG 3.37Å; A88-K92 PolarHBondContact O-N 3.08Å; D89-K92 CarbonylContact O-C 3.22Å; D89-K92 PolarHBondContact O-N 3.04Å; I90-K92 PolarHBondContact O-N 3.35Å; K92-K94 PolarHBondContact O-N 3.45Å; K92-K94 VanDerWaalsContact O-N 3.12Å
93	G	81.6	Confident	87	Confident	56 Å²	56	56 Å²	56	58%	0.577	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	3.6	176.6	0	0	0	0	0	116.3	D89 I90 L95	D89-G93 PolarHBondContact O-N 3.3Å; I90-G93 PolarHBondContact O-N 2.95Å; G93-L95 PolarHBondContact O-N 3.09Å
94	K	86.2	Confident	86	Confident	136 Å²	136	55.3 Å²	55.3	59%	0.591	30%	0.302	S	S	*	.			trans	-80.4	54.5	-176.5	-62.1	-168.9	177.9	-173	0	112.4	D89 K92 H96	D89-K94 HydrophobicContact CB-CB 4.24Å; D89-K94 WeakPolarHBondContact O-CA 3.37Å; D89-K94 PolarHBondContact O-N 3.35Å; K92-K94 PolarHBondContact O-N 3.45Å; K92-K94 VanDerWaalsContact O-N 3.12Å; K94-H96 PolarHBondContact O-ND1 3.27Å; K94-H96 VanDerWaalsContact O-ND1 3.09Å
95	L	88.9	Confident	84.9	Confident	71 Å²	71	58.4 Å²	58.4	37%	0.372	32%	0.321	S	S	.	.			trans	-62.7	145.4	179.5	-57.5	-175.2	0	0	0	111.6	K82 I90 G93	K82-L95 HydrophobicContact CB-CD1 4.36Å; K82-L95 HydrophobicContact CB-CD2 4.11Å; K82-L95 HydrophobicContact CD-CD1 4.03Å; K82-L95 HydrophobicContact CG-CD1 4.16Å; I90-L95 HydrophobicContact CB-CD2 4.27Å; I90-L95 HydrophobicContact CG1-CD2 4.08Å; I90-L95 HydrophobicContact CG2-CD2 4Å; G93-L95 PolarHBondContact O-N 3.09Å
96	H	85.1	Confident	84.5	Confident	61 Å²	61	52.6 Å²	52.6	28%	0.282	30%	0.295	S	S	.	.	S	Bend	trans	-108.3	5.1	174.1	-72.7	51.8	0	0	0	111.9	Y83 K85 K94	Y83-H96 HydrophobicContact CD2-CB 4.04Å; Y83-H96 HydrophobicContact CE1-CB 4.42Å; Y83-H96 VanDerWaalsContact CE1-O 3.23Å; Y83-H96 WeakPolarHBondContact CE1-O 3.46Å; Y83-H96 HydrophobicContact CE2-CB 3.59Å; Y83-H96 PolarHBondContact O-N 3.01Å; Y83-H96 PolarHBondContact OH-O 3.48Å; K85-H96 VanDerWaalsContact CE-NE2 3.33Å; K85-H96 WeakPolarHBondContact CE-NE2 3.47Å; K94-H96 PolarHBondContact O-ND1 3.27Å; K94-H96 VanDerWaalsContact O-ND1 3.09Å
97	G	85.8	Confident	83.3	Confident	22 Å²	22	51.7 Å²	51.7	23%	0.227	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.1	160.9	174.1	0	0	0	0	0	112.5	Y83 Y124	Y83-G97 WeakPolarHBondContact CD1-O 3.13Å; Y83-G97 PolarHBondContact N-O 2.96Å; Y83-G97 VanDerWaalsContact N-O 3.08Å; G97-Y124 VanDerWaalsContact C-OH 3.23Å; G97-Y124 WeakPolarHBondContact CA-OH 3.06Å
98	C	89.8	Confident	82.8	Confident	60 Å²	60	50.1 Å²	50.1	41%	0.405	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.6	178.7	-164	0	0	0	0	109.2	I80 L81 Y124	I80-C98 WeakPolarHBondContact CG2-SG 3.32Å; L81-C98 CarbonylContact O-C 3.52Å; L81-C98 WeakPolarHBondContact O-CA 3.1Å; C98-Y124 PolarHBondContact N-OH 3.05Å; C98-Y124 PolarHBondContact O-OH 2.93Å
99	I	85.3	Confident	82.5	Confident	7 Å²	7	50 Å²	50	4%	0.036	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140.8	169.9	-107.6	-175.5	0	0	0	109	I80 L81 V101 L117 A119 N122 Y124	I80-I99 CarbonylContact C-O 3.56Å; I80-I99 WeakPolarHBondContact CA-O 3.48Å; L81-I99 HydrophobicContact CB-CG2 4.16Å; L81-I99 PolarHBondContact N-O 2.68Å; L81-I99 PolarHBondContact O-N 3.26Å; I99-V101 HydrophobicContact CG2-CG1 3.69Å; I99-L117 HydrophobicContact CD1-CB 4.33Å; I99-A119 HydrophobicContact CD1-CB 3.8Å; I99-A119 HydrophobicContact CG1-CB 3.77Å; I99-N122 HydrophobicContact CD1-CB 4.5Å; I99-Y124 HydrophobicContact CB-CE2 4.21Å; I99-Y124 HydrophobicContact CD1-CD1 3.7Å; I99-Y124 HydrophobicContact CD1-CD2 3.96Å; I99-Y124 HydrophobicContact CD1-CE1 3.94Å; I99-Y124 HydrophobicContact CD1-CE2 4.18Å; I99-Y124 HydrophobicContact CD1-CG 3.72Å; I99-Y124 HydrophobicContact CG1-CD1 4.45Å; I99-Y124 HydrophobicContact CG1-CD2 4.49Å; I99-Y124 HydrophobicContact CG1-CE1 4.19Å; I99-Y124 HydrophobicContact CG1-CE2 4.24Å
100	D	86.4	Confident	82.3	Confident	26 Å²	26	53.2 Å²	53.2	14%	0.139	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.4	162.3	-172.3	-52.5	0	0	0	108.2	I80 G102 L103 S104 R148	I80-D100 HydrophobicContact CD1-CB 3.99Å; I80-D100 WeakPolarHBondContact CD1-OD2 3.14Å; D100-G102 VanDerWaalsContact C-N 3.31Å; D100-G102 VanDerWaalsContact OD1-CA 3.3Å; D100-G102 WeakPolarHBondContact OD1-CA 3.47Å; D100-G102 PolarHBondContact OD1-N 3.4Å; D100-L103 HydrophobicContact CB-CB 4.4Å; D100-L103 HydrophobicContact CB-CD1 4.34Å; D100-L103 HydrophobicContact CB-CG 4.47Å; D100-L103 PolarHBondContact OD1-N 3.38Å; D100-L103 VanDerWaalsContact OD1-N 3.09Å; D100-S104 PolarHBondContact O-N 2.71Å; D100-R148 WeakPolarHBondContact OD1-CG 3.38Å; D100-R148 IonicContact OD1-NE 3.23Å; D100-R148 IonicContact OD2-CZ 2.77Å; D100-R148 VanDerWaalsContact OD2-CZ 3.23Å; D100-R148 IonicContact OD2-NE 2.65Å; D100-R148 PolarHBondContact OD2-NE 2.91Å; D100-R148 IonicContact OD2-NH2 2.69Å; D100-R148 PolarHBondContact OD2-NH2 2.9Å
101	V	84.8	Confident	82	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.006	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.2	-177.7	-59.6	0	0	0	0	112.7	L76 G79 L81 I99 S104 L117 L141 H144 R145	L76-V101 HydrophobicContact CD1-CG1 4.28Å; L76-V101 HydrophobicContact CD1-CG2 4.08Å; G79-V101 VanDerWaalsContact O-CG2 3.26Å; G79-V101 WeakPolarHBondContact O-CG2 3.28Å; G79-V101 PolarHBondContact O-N 3.05Å; L81-V101 HydrophobicContact CB-CG1 3.9Å; I99-V101 HydrophobicContact CG2-CG1 3.69Å; V101-S104 WeakPolarHBondContact CA-OG 3.41Å; V101-S104 PolarHBondContact O-N 3.36Å; V101-S104 PolarHBondContact O-OG 2.77Å; V101-L117 HydrophobicContact CG1-CD1 4.21Å; V101-L117 HydrophobicContact CG1-CD2 4.49Å; V101-L141 HydrophobicContact CG1-CD2 3.91Å; V101-H144 HydrophobicContact CG2-CB 4.19Å; V101-R145 HydrophobicContact CB-CB 4.48Å; V101-R145 HydrophobicContact CG2-CB 4.09Å; V101-R145 WeakPolarHBondContact O-CD 3.5Å; V101-R145 VanDerWaalsContact O-CG 3.22Å; V101-R145 WeakPolarHBondContact O-CG 3.32Å; V101-R145 PolarHBondContact O-NE 3.38Å
102	G	78.3	Confident	81.9	Confident	4 Å²	4	53.9 Å²	53.9	4%	0.041	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-44.5	174.5	0	0	0	0	0	112.1	D100 S104 Q149	D100-G102 VanDerWaalsContact C-N 3.31Å; D100-G102 VanDerWaalsContact OD1-CA 3.3Å; D100-G102 WeakPolarHBondContact OD1-CA 3.47Å; D100-G102 PolarHBondContact OD1-N 3.4Å; G102-S104 VanDerWaalsContact C-N 3.34Å; G102-Q149 WeakPolarHBondContact O-CG 3.49Å; G102-Q149 PolarHBondContact O-NE2 3.5Å
103	L	77.5	Confident	82.2	Confident	128 Å²	128	49 Å²	49	67%	0.67	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.5	175	-62.9	176.7	0	0	0	113.5	D100 I152	D100-L103 HydrophobicContact CB-CB 4.4Å; D100-L103 HydrophobicContact CB-CD1 4.34Å; D100-L103 HydrophobicContact CB-CG 4.47Å; D100-L103 PolarHBondContact OD1-N 3.38Å; D100-L103 VanDerWaalsContact OD1-N 3.09Å; L103-I152 HydrophobicContact CD2-CD1 3.9Å; L103-I152 HydrophobicContact CG-CD1 4.13Å
104	S	72.6	Confident	82.5	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	24%	0.243	C	C	.	.	S	Bend	trans	-74.8	150.9	-177.3	78	0	0	0	0	114.8	D100 V101 G102 D118 R145	D100-S104 PolarHBondContact O-N 2.71Å; V101-S104 WeakPolarHBondContact CA-OG 3.41Å; V101-S104 PolarHBondContact O-N 3.36Å; V101-S104 PolarHBondContact O-OG 2.77Å; G102-S104 VanDerWaalsContact C-N 3.34Å; S104-D118 CarbonylContact C-O 3.49Å; S104-D118 WeakPolarHBondContact CA-O 3.47Å; S104-D118 WeakPolarHBondContact CB-O 3.48Å; S104-R145 VanDerWaalsContact O-CZ 3.31Å; S104-R145 PolarHBondContact O-NE 3.16Å; S104-R145 PolarHBondContact O-NH2 3.23Å
105	V	70.3	Confident	82.6	Confident	64 Å²	64	40.4 Å²	40.4	39%	0.388	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.6	157.3	-178.8	0	0	0	0	108.2	I37 D118	I37-V105 HydrophobicContact CG2-CG1 4.16Å; V105-D118 HydrophobicContact CB-CB 4.38Å; V105-D118 PolarHBondContact N-O 2.91Å; V105-D118 PolarHBondContact O-N 2.83Å
106	M	82.1	Confident	82.3	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121	179.4	179	-176.7	-174.2	0	0	110.2	I37 V38 I108 I115 L117 L141	I37-M106 WeakPolarHBondContact CA-O 3.31Å; V38-M106 HydrophobicContact CB-CB 4.16Å; V38-M106 HydrophobicContact CB-CG 4.31Å; V38-M106 HydrophobicContact CB-SD 4.28Å; V38-M106 HydrophobicContact CG2-CB 4.22Å; V38-M106 HydrophobicContact CG2-CE 4.45Å; V38-M106 HydrophobicContact CG2-CG 3.82Å; V38-M106 HydrophobicContact CG2-SD 3.75Å; V38-M106 PolarHBondContact N-O 3.47Å; M106-I108 HydrophobicContact CE-CD1 3.81Å; M106-I108 HydrophobicContact CE-CG1 3.93Å; M106-I108 HydrophobicContact CG-CG1 4.44Å; M106-I115 HydrophobicContact CE-CG2 3.7Å; M106-I115 HydrophobicContact CG-CG2 4.25Å; M106-L117 HydrophobicContact CB-CD2 3.7Å; M106-L117 HydrophobicContact CG-CD2 3.62Å; M106-L117 HydrophobicContact SD-CD2 4.3Å; M106-L141 HydrophobicContact CE-CB 3.45Å; M106-L141 VanDerWaalsContact CE-CB 3.45Å; M106-L141 HydrophobicContact CE-CD1 3.9Å; M106-L141 HydrophobicContact CE-CG 4.3Å; M106-L141 HydrophobicContact SD-CB 3.95Å
107	A	69.1	Low	81.9	Confident	18 Å²	18	35.7 Å²	35.7	15%	0.149	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.7	174.6	0	0	0	0	0	111	W35 I37 I115 D116	W35-A107 HydrophobicContact CE3-CB 3.89Å; W35-A107 HydrophobicContact CZ3-CB 4.48Å; I37-A107 HydrophobicContact CG1-CB 4.29Å; A107-I115 CarbonylContact O-C 3.44Å; A107-I115 WeakPolarHBondContact O-CA 3.37Å; A107-D116 HydrophobicContact CB-CB 4.49Å; A107-D116 PolarHBondContact N-O 2.77Å; A107-D116 PolarHBondContact O-N 3.29Å
108	I	81.8	Confident	81.4	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.9	-173.8	-60.8	169.6	0	0	0	109.7	E36 V38 M106 K110 I115 F134 V138	E36-I108 PolarHBondContact N-O 2.81Å; E36-I108 PolarHBondContact O-N 3.25Å; V38-I108 HydrophobicContact CG2-CD1 3.33Å; V38-I108 HydrophobicContact CG2-CG1 3.96Å; M106-I108 HydrophobicContact CE-CD1 3.81Å; M106-I108 HydrophobicContact CE-CG1 3.93Å; M106-I108 HydrophobicContact CG-CG1 4.44Å; I108-K110 HydrophobicContact CG2-CG 4.2Å; I108-I115 HydrophobicContact CG1-CG2 4.48Å; I108-F134 HydrophobicContact CG2-CE1 4.23Å; I108-F134 HydrophobicContact CG2-CE2 4.36Å; I108-F134 HydrophobicContact CG2-CZ 3.53Å; I108-V138 HydrophobicContact CD1-CB 4.39Å; I108-V138 HydrophobicContact CD1-CG1 3.63Å; I108-V138 HydrophobicContact CD1-CG2 3.92Å; I108-V138 HydrophobicContact CG1-CG2 4.25Å; I108-V138 HydrophobicContact CG2-CG2 3.98Å
109	K	83.1	Confident	80.2	Confident	34 Å²	34	35.3 Å²	35.3	15%	0.148	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	95.8	170.8	-174.2	168.2	166.3	130.3	0	110.8	D33 W35 K111 S112 K113 C114	D33-K109 VanDerWaalsContact CG-CE 3.42Å; D33-K109 PolarHBondContact O-NZ 2.8Å; D33-K109 WeakPolarHBondContact OD1-CE 3.41Å; D33-K109 IonicContact OD1-NZ 2.71Å; D33-K109 PolarHBondContact OD1-NZ 3.39Å; D33-K109 WeakPolarHBondContact OD2-CE 3.25Å; D33-K109 IonicContact OD2-NZ 2.92Å; D33-K109 PolarHBondContact OD2-NZ 2.69Å; W35-K109 HydrophobicContact CD2-CB 3.62Å; W35-K109 HydrophobicContact CD2-CD 4.19Å; W35-K109 HydrophobicContact CD2-CG 4.45Å; W35-K109 HydrophobicContact CE3-CB 3.57Å; W35-K109 HydrophobicContact CG-CB 4.28Å; W35-K109 HydrophobicContact CG-CD 4.45Å; W35-K109 HydrophobicContact CH2-CB 4.04Å; W35-K109 HydrophobicContact CZ2-CB 4.07Å; W35-K109 HydrophobicContact CZ2-CD 4.11Å; W35-K109 HydrophobicContact CZ3-CB 3.78Å; K109-K111 PolarHBondContact O-N 3.03Å; K109-S112 WeakPolarHBondContact CD-OG 3.29Å; K109-S112 VanDerWaalsContact CG-OG 3.29Å; K109-S112 WeakPolarHBondContact CG-OG 3.13Å; K109-S112 PolarHBondContact O-N 3.3Å; K109-S112 PolarHBondContact O-OG 2.77Å; K109-K113 PolarHBondContact O-N 3.31Å; K109-C114 HydrophobicContact CB-CB 4.46Å; K109-C114 PolarHBondContact N-O 3.15Å; K109-C114 PolarHBondContact O-N 2.75Å; K109-C114 VanDerWaalsContact O-N 3.16Å
110	K	83.5	Confident	78.5	Confident	102 Å²	102	40.7 Å²	40.7	44%	0.443	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-54.4	-173.2	-71	168.7	172.4	162	0	112.6	E36 I108 S112 K113 F134	E36-K110 IonicContact OE1-NZ 2.74Å; E36-K110 PolarHBondContact OE1-NZ 3.47Å; E36-K110 VanDerWaalsContact OE2-CE 3.26Å; E36-K110 WeakPolarHBondContact OE2-CE 3.49Å; E36-K110 IonicContact OE2-NZ 2.69Å; E36-K110 PolarHBondContact OE2-NZ 3.24Å; I108-K110 HydrophobicContact CG2-CG 4.2Å; K110-S112 VanDerWaalsContact C-N 3.31Å; K110-S112 PolarHBondContact O-N 3.23Å; K110-K113 PolarHBondContact O-N 2.96Å; K110-F134 HydrophobicContact CB-CE1 4.38Å; K110-F134 HydrophobicContact CG-CE1 4.13Å
111	K	80.3	Confident	76.8	Confident	150 Å²	150	47 Å²	47	65%	0.652	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-34	-175.9	-66.1	178.2	176.1	173.4	0	114	Q32 D33 K109	Q32-K111 PolarHBondContact O-NZ 3.3Å; D33-K111 HydrophobicContact CB-CD 4.21Å; D33-K111 WeakPolarHBondContact OD1-CB 3.28Å; D33-K111 WeakPolarHBondContact OD1-CD 3.45Å; K109-K111 PolarHBondContact O-N 3.03Å
112	S	81.3	Confident	75.7	Confident	32 Å²	32	50.2 Å²	50.2	22%	0.224	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-3	177.9	67.9	0	0	0	0	114.3	K109 K110 C114 K127	K109-S112 WeakPolarHBondContact CD-OG 3.29Å; K109-S112 VanDerWaalsContact CG-OG 3.29Å; K109-S112 WeakPolarHBondContact CG-OG 3.13Å; K109-S112 PolarHBondContact O-N 3.3Å; K109-S112 PolarHBondContact O-OG 2.77Å; K110-S112 VanDerWaalsContact C-N 3.31Å; K110-S112 PolarHBondContact O-N 3.23Å; S112-C114 VanDerWaalsContact C-N 3.3Å; S112-C114 PolarHBondContact O-N 2.89Å; S112-C114 PolarHBondContact O-SG 3.44Å; S112-C114 PolarHBondContact OG-SG 3.37Å; S112-K127 WeakPolarHBondContact O-CE 3.31Å; S112-K127 PolarHBondContact O-NZ 3.06Å
113	K	92.3	Very high	75.4	Confident	53 Å²	53	54 Å²	54	23%	0.23	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	44.8	-172.3	-69.8	175.1	-94.1	-168.1	0	113.5	K109 K110 K127 I128 K129 S130 Q131 F134	K109-K113 PolarHBondContact O-N 3.31Å; K110-K113 PolarHBondContact O-N 2.96Å; K113-K127 WeakPolarHBondContact O-CA 3.49Å; K113-I128 VanDerWaalsContact CB-O 3.3Å; K113-I128 WeakPolarHBondContact CB-O 3.27Å; K113-I128 PolarHBondContact O-N 3.4Å; K113-K129 PolarHBondContact NZ-O 3.44Å; K113-S130 VanDerWaalsContact CD-O 3.25Å; K113-S130 WeakPolarHBondContact CD-O 3.49Å; K113-Q131 HydrophobicContact CD-CB 4.44Å; K113-Q131 VanDerWaalsContact CD-OE1 3.29Å; K113-F134 VanDerWaalsContact CA-CE2 3.45Å; K113-F134 HydrophobicContact CB-CB 4.27Å; K113-F134 HydrophobicContact CB-CD2 3.73Å; K113-F134 HydrophobicContact CB-CE2 4.19Å; K113-F134 HydrophobicContact CB-CG 3.95Å; K113-F134 HydrophobicContact CD-CB 4.18Å; K113-F134 HydrophobicContact CG-CB 3.98Å; K113-F134 HydrophobicContact CG-CD1 4.09Å; K113-F134 HydrophobicContact CG-CD2 4.08Å; K113-F134 HydrophobicContact CG-CG 3.78Å
114	C	88.4	Confident	75.8	Confident	11 Å²	11	48 Å²	48	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.9	177.1	-59.5	0	0	0	0	111.4	W35 K109 S112 L126	W35-C114 HydrophobicContact CH2-CB 3.57Å; W35-C114 HydrophobicContact CZ2-CB 4.37Å; W35-C114 HydrophobicContact CZ3-CB 4.12Å; K109-C114 HydrophobicContact CB-CB 4.46Å; K109-C114 PolarHBondContact N-O 3.15Å; K109-C114 PolarHBondContact O-N 2.75Å; K109-C114 VanDerWaalsContact O-N 3.16Å; S112-C114 VanDerWaalsContact C-N 3.3Å; S112-C114 PolarHBondContact O-N 2.89Å; S112-C114 PolarHBondContact O-SG 3.44Å; S112-C114 PolarHBondContact OG-SG 3.37Å; C114-L126 CarbonylContact C-O 3.57Å; C114-L126 VanDerWaalsContact CA-O 3.26Å; C114-L126 WeakPolarHBondContact CA-O 3.4Å
115	I	87.9	Confident	76.4	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124	171.4	-50.3	176.1	0	0	0	106.3	M106 A107 I108 L117 L126 I128 F134 V138 L141	M106-I115 HydrophobicContact CE-CG2 3.7Å; M106-I115 HydrophobicContact CG-CG2 4.25Å; A107-I115 CarbonylContact O-C 3.44Å; A107-I115 WeakPolarHBondContact O-CA 3.37Å; I108-I115 HydrophobicContact CG1-CG2 4.48Å; I115-L117 HydrophobicContact CG2-CG 4.38Å; I115-L126 HydrophobicContact CB-CB 4.39Å; I115-L126 PolarHBondContact N-O 3.26Å; I115-L126 WeakPolarHBondContact O-CA 3.26Å; I115-L126 VanDerWaalsContact O-CB 3.3Å; I115-L126 WeakPolarHBondContact O-CB 3.3Å; I115-L126 PolarHBondContact O-N 3.23Å; I115-I128 HydrophobicContact CD1-CD1 3.98Å; I115-F134 HydrophobicContact CD1-CD2 4.42Å; I115-F134 HydrophobicContact CD1-CE2 4.28Å; I115-F134 HydrophobicContact CG1-CD2 4.21Å; I115-F134 HydrophobicContact CG1-CE2 3.68Å; I115-V138 HydrophobicContact CD1-CG2 3.68Å; I115-V138 HydrophobicContact CG1-CG2 4.13Å; I115-L141 HydrophobicContact CD1-CD1 3.89Å; I115-L141 HydrophobicContact CG2-CD1 4.34Å
116	D	82.3	Confident	77.4	Confident	34 Å²	34	46.9 Å²	46.9	18%	0.182	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.3	173.4	-76.7	8.8	0	0	0	107.9	W35 A107 H125	W35-D116 HydrophobicContact CH2-CB 4.2Å; W35-D116 VanDerWaalsContact CH2-CG 3.45Å; W35-D116 WeakPolarHBondContact CH2-OD1 3.33Å; W35-D116 HydrophobicContact CZ3-CB 3.99Å; A107-D116 HydrophobicContact CB-CB 4.49Å; A107-D116 PolarHBondContact N-O 2.77Å; A107-D116 PolarHBondContact O-N 3.29Å; D116-H125 VanDerWaalsContact OD1-CA 3.28Å; D116-H125 WeakPolarHBondContact OD1-CA 3.33Å; D116-H125 WeakPolarHBondContact OD1-CB 3.38Å; D116-H125 IonicContact OD1-CG 2.99Å; D116-H125 IonicContact OD1-ND1 3.55Å; D116-H125 PolarHBondContact OD1-ND1 3.08Å; D116-H125 IonicContact OD2-CE1 3.02Å; D116-H125 IonicContact OD2-CG 2.74Å; D116-H125 IonicContact OD2-ND1 3.18Å; D116-H125 PolarHBondContact OD2-ND1 3Å
117	L	77.8	Confident	77.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.8	173.8	-65.7	166.8	0	0	0	108.2	L81 I99 V101 M106 I115 I123 Y124 L126 L141	L81-L117 HydrophobicContact CD2-CD1 3.43Å; L81-L117 VanDerWaalsContact CD2-CD1 3.43Å; I99-L117 HydrophobicContact CD1-CB 4.33Å; V101-L117 HydrophobicContact CG1-CD1 4.21Å; V101-L117 HydrophobicContact CG1-CD2 4.49Å; M106-L117 HydrophobicContact CB-CD2 3.7Å; M106-L117 HydrophobicContact CG-CD2 3.62Å; M106-L117 HydrophobicContact SD-CD2 4.3Å; I115-L117 HydrophobicContact CG2-CG 4.38Å; L117-I123 WeakPolarHBondContact O-CA 3.27Å; L117-Y124 PolarHBondContact N-O 2.84Å; L117-Y124 PolarHBondContact O-N 3.39Å; L117-L126 HydrophobicContact CD1-CD1 4.03Å; L117-L141 HydrophobicContact CD1-CD2 4.18Å
118	D	75.3	Confident	79.1	Confident	47 Å²	47	49.9 Å²	49.9	25%	0.251	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.4	179	-174.3	-21.6	0	0	0	109.3	S104 V105 E120 I123	S104-D118 CarbonylContact C-O 3.49Å; S104-D118 WeakPolarHBondContact CA-O 3.47Å; S104-D118 WeakPolarHBondContact CB-O 3.48Å; V105-D118 HydrophobicContact CB-CB 4.38Å; V105-D118 PolarHBondContact N-O 2.91Å; V105-D118 PolarHBondContact O-N 2.83Å; D118-E120 PolarHBondContact OD1-N 3.27Å; D118-I123 HydrophobicContact CB-CG1 4.3Å
119	A	63	Low	79.4	Confident	27 Å²	27	58 Å²	58	22%	0.223	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	62.2	172.5	0	0	0	0	0	109.5	I99 E121 N122	I99-A119 HydrophobicContact CD1-CB 3.8Å; I99-A119 HydrophobicContact CG1-CB 3.77Å; A119-E121 PolarHBondContact O-N 3.38Å; A119-N122 PolarHBondContact N-O 3.45Å; A119-N122 PolarHBondContact O-N 2.96Å; A119-N122 VanDerWaalsContact O-N 3.16Å
120	E	50.2	Low	79.8	Confident	119 Å²	119	58.2 Å²	58.2	56%	0.556	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	-75.6	162.1	-178.6	154.5	-126.7	0	0	115.1	D118 N122 K657	D118-E120 PolarHBondContact OD1-N 3.27Å; E120-N122 VanDerWaalsContact C-N 3.29Å; E120-K657 HydrophobicContact CB-CD 4.27Å; E120-K657 HydrophobicContact CG-CD 4.07Å; E120-K657 WeakPolarHBondContact OE1-CD 3.35Å; E120-K657 WeakPolarHBondContact OE1-CE 3.27Å; E120-K657 IonicContact OE1-NZ 2.77Å; E120-K657 PolarHBondContact OE1-NZ 3.16Å; E120-K657 IonicContact OE2-NZ 3.95Å; E120-K657 PolarHBondContact OE2-NZ 3.06Å
121	E	50.5	Low	80.1	Confident	160 Å²	160	57 Å²	57	75%	0.748	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.3	170.9	-57.4	-175.7	159.4	0	0	112	A119	A119-E121 PolarHBondContact O-N 3.38Å
122	N	61.8	Low	80.6	Confident	68 Å²	68	57 Å²	57	36%	0.364	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.3	-164.3	-87.4	-83.8	0	0	0	113	I99 A119 E120 Y124	I99-N122 HydrophobicContact CD1-CB 4.5Å; A119-N122 PolarHBondContact N-O 3.45Å; A119-N122 PolarHBondContact O-N 2.96Å; A119-N122 VanDerWaalsContact O-N 3.16Å; E120-N122 VanDerWaalsContact C-N 3.29Å; N122-Y124 HydrophobicContact CB-CD1 4.43Å; N122-Y124 HydrophobicContact CB-CE1 3.97Å
123	I	73	Confident	81.1	Confident	82 Å²	82	59.5 Å²	59.5	42%	0.421	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.8	173.2	-55.1	178.2	0	0	0	110.6	L117 D118	L117-I123 WeakPolarHBondContact O-CA 3.27Å; D118-I123 HydrophobicContact CB-CG1 4.3Å
124	Y	84.4	Confident	81.1	Confident	2 Å²	2	57 Å²	57	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	90.5	-178.5	-75.8	27.2	0	0	0	109.3	K60 F74 L81 Y83 G97 C98 I99 L117 N122 L126	K60-Y124 VanDerWaalsContact CE-CD1 3.44Å; F74-Y124 HydrophobicContact CE1-CD2 4.39Å; L81-Y124 HydrophobicContact CD2-CD2 4.49Å; Y83-Y124 AromaticContact CD1-CE2 3.73Å; Y83-Y124 HydrophobicContact CD1-CE2 3.73Å; Y83-Y124 AromaticContact CE1-CE2 3.84Å; Y83-Y124 HydrophobicContact CE1-CE2 3.84Å; Y83-Y124 AromaticContact CE1-CZ 3.75Å; G97-Y124 VanDerWaalsContact C-OH 3.23Å; G97-Y124 WeakPolarHBondContact CA-OH 3.06Å; C98-Y124 PolarHBondContact N-OH 3.05Å; C98-Y124 PolarHBondContact O-OH 2.93Å; I99-Y124 HydrophobicContact CB-CE2 4.21Å; I99-Y124 HydrophobicContact CD1-CD1 3.7Å; I99-Y124 HydrophobicContact CD1-CD2 3.96Å; I99-Y124 HydrophobicContact CD1-CE1 3.94Å; I99-Y124 HydrophobicContact CD1-CE2 4.18Å; I99-Y124 HydrophobicContact CD1-CG 3.72Å; I99-Y124 HydrophobicContact CG1-CD1 4.45Å; I99-Y124 HydrophobicContact CG1-CD2 4.49Å; I99-Y124 HydrophobicContact CG1-CE1 4.19Å; I99-Y124 HydrophobicContact CG1-CE2 4.24Å; L117-Y124 PolarHBondContact N-O 2.84Å; L117-Y124 PolarHBondContact O-N 3.39Å; N122-Y124 HydrophobicContact CB-CD1 4.43Å; N122-Y124 HydrophobicContact CB-CE1 3.97Å; Y124-L126 PolarHBondContact O-N 3.38Å
125	H	86.7	Confident	81.3	Confident	44 Å²	44	59.7 Å²	59.7	20%	0.204	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.9	164.9	-42.7	-81.4	0	0	0	109.6	R61 W69 D116	R61-H125 HydrophobicContact CB-CB 3.79Å; R61-H125 PolarHBondContact N-O 3.17Å; W69-H125 HydrophobicContact CH2-CB 4.07Å; W69-H125 HydrophobicContact CZ3-CB 4.4Å; W69-H125 WeakPolarHBondContact CZ3-O 3.33Å; D116-H125 VanDerWaalsContact OD1-CA 3.28Å; D116-H125 WeakPolarHBondContact OD1-CA 3.33Å; D116-H125 WeakPolarHBondContact OD1-CB 3.38Å; D116-H125 IonicContact OD1-CG 2.99Å; D116-H125 IonicContact OD1-ND1 3.55Å; D116-H125 PolarHBondContact OD1-ND1 3.08Å; D116-H125 IonicContact OD2-CE1 3.02Å; D116-H125 IonicContact OD2-CG 2.74Å; D116-H125 IonicContact OD2-ND1 3.18Å; D116-H125 PolarHBondContact OD2-ND1 3Å
126	L	91.8	Very high	81.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.3	-179.7	-52.7	178.9	0	0	0	110.4	M58 L59 K60 F74 L81 C114 I115 L117 Y124	M58-L126 HydrophobicContact CE-CD1 3.96Å; M58-L126 HydrophobicContact SD-CD1 4.15Å; L59-L126 CarbonylContact O-C 3.56Å; L59-L126 WeakPolarHBondContact O-CA 3.46Å; K60-L126 HydrophobicContact CB-CD2 4.3Å; K60-L126 HydrophobicContact CG-CD2 4.08Å; F74-L126 HydrophobicContact CE1-CD2 3.83Å; F74-L126 HydrophobicContact CE2-CD2 4.14Å; F74-L126 HydrophobicContact CZ-CD2 3.37Å; L81-L126 HydrophobicContact CD2-CD1 4.32Å; C114-L126 CarbonylContact C-O 3.57Å; C114-L126 VanDerWaalsContact CA-O 3.26Å; C114-L126 WeakPolarHBondContact CA-O 3.4Å; I115-L126 HydrophobicContact CB-CB 4.39Å; I115-L126 PolarHBondContact N-O 3.26Å; I115-L126 WeakPolarHBondContact O-CA 3.26Å; I115-L126 VanDerWaalsContact O-CB 3.3Å; I115-L126 WeakPolarHBondContact O-CB 3.3Å; I115-L126 PolarHBondContact O-N 3.23Å; L117-L126 HydrophobicContact CD1-CD1 4.03Å; Y124-L126 PolarHBondContact O-N 3.38Å
127	K	92.1	Very high	82.1	Confident	74 Å²	74	62.3 Å²	62.3	32%	0.322	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.5	172.2	-178.2	166.3	-175.8	161	0	111.5	L59 W69 S112 K113	L59-K127 HydrophobicContact CB-CB 4.27Å; L59-K127 VanDerWaalsContact CB-O 3.31Å; L59-K127 WeakPolarHBondContact CB-O 3.34Å; L59-K127 PolarHBondContact N-O 2.68Å; L59-K127 PolarHBondContact O-N 3.41Å; W69-K127 HydrophobicContact CD2-CB 4.3Å; W69-K127 HydrophobicContact CE3-CB 3.8Å; W69-K127 HydrophobicContact CH2-CB 3.76Å; W69-K127 HydrophobicContact CZ2-CB 4.25Å; W69-K127 HydrophobicContact CZ2-CD 4.46Å; W69-K127 HydrophobicContact CZ3-CB 3.52Å; S112-K127 WeakPolarHBondContact O-CE 3.31Å; S112-K127 PolarHBondContact O-NZ 3.06Å; K113-K127 WeakPolarHBondContact O-CA 3.49Å
128	I	94.5	Very high	82.8	Confident	7 Å²	7	62.9 Å²	62.9	4%	0.036	31%	0.309	C	S	.	.			trans	-116.4	146.1	-176.5	-55.7	176.1	0	0	0	108.9	M58 K113 I115 L133 F134 W137	M58-I128 HydrophobicContact CG-CD1 4.32Å; M58-I128 HydrophobicContact CG-CG1 4.06Å; M58-I128 HydrophobicContact SD-CD1 3.73Å; M58-I128 HydrophobicContact SD-CG1 3.96Å; K113-I128 VanDerWaalsContact CB-O 3.3Å; K113-I128 WeakPolarHBondContact CB-O 3.27Å; K113-I128 PolarHBondContact O-N 3.4Å; I115-I128 HydrophobicContact CD1-CD1 3.98Å; I128-L133 HydrophobicContact CG2-CB 3.86Å; I128-F134 HydrophobicContact CB-CB 4.02Å; I128-F134 HydrophobicContact CB-CD2 4.22Å; I128-F134 HydrophobicContact CD1-CB 4.39Å; I128-F134 HydrophobicContact CD1-CD2 4.14Å; I128-F134 HydrophobicContact CG1-CD2 4.47Å; I128-F134 HydrophobicContact CG2-CB 3.99Å; I128-W137 HydrophobicContact CD1-CB 3.56Å; I128-W137 HydrophobicContact CD1-CG 3.89Å
129	K	87.9	Confident	83.6	Confident	171 Å²	171	64.3 Å²	64.3	74%	0.743	32%	0.323	S	S	*	.	S	Bend	trans	-89.1	-54.3	-173.8	-72	-167.9	175.6	-170.3	0	113.3	L59 K113	L59-K129 HydrophobicContact CD1-CG 4.49Å; K113-K129 PolarHBondContact NZ-O 3.44Å
130	S	91.9	Very high	85.1	Confident	39 Å²	39	64.9 Å²	64.9	27%	0.273	32%	0.32	S	S	.	.	S	Bend	trans	-73	157.8	174	-164.7	0	0	0	0	111.1	K113 E132 F134	K113-S130 VanDerWaalsContact CD-O 3.25Å; K113-S130 WeakPolarHBondContact CD-O 3.49Å; S130-E132 PolarHBondContact OG-N 3.24Å; S130-E132 PolarHBondContact OG-OE2 3.01Å; S130-F134 WeakPolarHBondContact O-CB 3.06Å; S130-F134 PolarHBondContact O-N 2.77Å
131	Q	88.8	Confident	87.1	Confident	78 Å²	78	59.2 Å²	59.2	36%	0.364	29%	0.294	S	S	.	.	S	Bend	trans	-76.2	-46.1	169	-170.4	60.7	43.9	0	0	110.9	K113 L133 F134 D135	K113-Q131 HydrophobicContact CD-CB 4.44Å; K113-Q131 VanDerWaalsContact CD-OE1 3.29Å; Q131-L133 PolarHBondContact O-N 3.28Å; Q131-F134 WeakPolarHBondContact O-CA 3.47Å; Q131-F134 WeakPolarHBondContact O-CB 3.48Å; Q131-F134 PolarHBondContact O-N 2.89Å; Q131-D135 WeakPolarHBondContact CG-OD2 3.3Å; Q131-D135 PolarHBondContact NE2-OD1 2.96Å; Q131-D135 PolarHBondContact NE2-OD2 3.15Å; Q131-D135 PolarHBondContact O-N 3.49Å
132	E	91.1	Very high	89	Confident	149 Å²	149	55.8 Å²	55.8	70%	0.696	27%	0.274	S	S	*	.	H	α-helix	trans	-58.3	-50.3	-179	-51.7	114.8	170.4	0	0	111.2	S130 F134 D135 E136	S130-E132 PolarHBondContact OG-N 3.24Å; S130-E132 PolarHBondContact OG-OE2 3.01Å; E132-F134 PolarHBondContact O-N 3.41Å; E132-D135 PolarHBondContact O-N 3.38Å; E132-E136 VanDerWaalsContact O-CB 3.31Å; E132-E136 WeakPolarHBondContact O-CB 3.34Å; E132-E136 PolarHBondContact O-N 3.14Å
133	L	91.6	Very high	90.4	Very high	84 Å²	84	56.1 Å²	56.1	44%	0.44	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-30.3	175.5	-62.6	177.8	0	0	0	112.6	I128 Q131 E136 W137	I128-L133 HydrophobicContact CG2-CB 3.86Å; Q131-L133 PolarHBondContact O-N 3.28Å; L133-E136 WeakPolarHBondContact CD2-OE2 3.33Å; L133-W137 WeakPolarHBondContact O-CB 3.46Å; L133-W137 PolarHBondContact O-N 2.99Å
134	F	93.1	Very high	91.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-72	-46.1	178.4	169	-94	0	0	0	110.9	I108 K110 K113 I115 I128 S130 Q131 E132 E136 W137 V138	I108-F134 HydrophobicContact CG2-CE1 4.23Å; I108-F134 HydrophobicContact CG2-CE2 4.36Å; I108-F134 HydrophobicContact CG2-CZ 3.53Å; K110-F134 HydrophobicContact CB-CE1 4.38Å; K110-F134 HydrophobicContact CG-CE1 4.13Å; K113-F134 VanDerWaalsContact CA-CE2 3.45Å; K113-F134 HydrophobicContact CB-CB 4.27Å; K113-F134 HydrophobicContact CB-CD2 3.73Å; K113-F134 HydrophobicContact CB-CE2 4.19Å; K113-F134 HydrophobicContact CB-CG 3.95Å; K113-F134 HydrophobicContact CD-CB 4.18Å; K113-F134 HydrophobicContact CG-CB 3.98Å; K113-F134 HydrophobicContact CG-CD1 4.09Å; K113-F134 HydrophobicContact CG-CD2 4.08Å; K113-F134 HydrophobicContact CG-CG 3.78Å; I115-F134 HydrophobicContact CD1-CD2 4.42Å; I115-F134 HydrophobicContact CD1-CE2 4.28Å; I115-F134 HydrophobicContact CG1-CD2 4.21Å; I115-F134 HydrophobicContact CG1-CE2 3.68Å; I128-F134 HydrophobicContact CB-CB 4.02Å; I128-F134 HydrophobicContact CB-CD2 4.22Å; I128-F134 HydrophobicContact CD1-CB 4.39Å; I128-F134 HydrophobicContact CD1-CD2 4.14Å; I128-F134 HydrophobicContact CG1-CD2 4.47Å; I128-F134 HydrophobicContact CG2-CB 3.99Å; S130-F134 WeakPolarHBondContact O-CB 3.06Å; S130-F134 PolarHBondContact O-N 2.77Å; Q131-F134 WeakPolarHBondContact O-CA 3.47Å; Q131-F134 WeakPolarHBondContact O-CB 3.48Å; Q131-F134 PolarHBondContact O-N 2.89Å; E132-F134 PolarHBondContact O-N 3.41Å; F134-E136 VanDerWaalsContact C-N 3.35Å; F134-W137 PolarHBondContact O-N 3.41Å; F134-V138 HydrophobicContact CD1-CG2 4.46Å; F134-V138 HydrophobicContact CE1-CG2 4.13Å; F134-V138 HydrophobicContact CE2-CG2 4.17Å; F134-V138 HydrophobicContact CZ-CG2 4.01Å; F134-V138 WeakPolarHBondContact O-CB 3.4Å; F134-V138 VanDerWaalsContact O-CG2 3.29Å; F134-V138 WeakPolarHBondContact O-CG2 3.45Å; F134-V138 PolarHBondContact O-N 3.29Å
135	D	91.4	Very high	91.3	Very high	69 Å²	69	53 Å²	53	37%	0.369	26%	0.256	S	S	.	.	H	α-helix	trans	-69.8	-33.4	178.6	-62.6	-46.7	0	0	0	111.6	Q131 E132 S139	Q131-D135 WeakPolarHBondContact CG-OD2 3.3Å; Q131-D135 PolarHBondContact NE2-OD1 2.96Å; Q131-D135 PolarHBondContact NE2-OD2 3.15Å; Q131-D135 PolarHBondContact O-N 3.49Å; E132-D135 PolarHBondContact O-N 3.38Å; D135-S139 VanDerWaalsContact O-CB 3.31Å; D135-S139 WeakPolarHBondContact O-CB 3.42Å; D135-S139 PolarHBondContact O-N 3.37Å
136	E	92.5	Very high	91.2	Very high	80 Å²	80	53.9 Å²	53.9	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-60.7	-54.8	169.6	-174.7	-165.4	177.1	0	0	112	Q54 E132 L133 F134 V138 S139 K140	Q54-E136 VanDerWaalsContact NE2-CD 3.34Å; Q54-E136 PolarHBondContact NE2-OE1 3.31Å; E132-E136 VanDerWaalsContact O-CB 3.31Å; E132-E136 WeakPolarHBondContact O-CB 3.34Å; E132-E136 PolarHBondContact O-N 3.14Å; L133-E136 WeakPolarHBondContact CD2-OE2 3.33Å; F134-E136 VanDerWaalsContact C-N 3.35Å; E136-V138 VanDerWaalsContact C-N 3.31Å; E136-V138 PolarHBondContact O-N 3.43Å; E136-S139 WeakPolarHBondContact O-CB 3.12Å; E136-S139 PolarHBondContact O-N 2.97Å; E136-S139 VanDerWaalsContact O-N 3.15Å; E136-K140 PolarHBondContact O-N 3.37Å
137	W	94.4	Very high	91	Very high	9 Å²	9	54.6 Å²	54.6	3%	0.034	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-36.1	178.1	-88.9	96.6	0	0	0	112.2	Q54 M58 F74 L76 L81 I128 L133 F134 L141	Q54-W137 HydrophobicContact CB-CH2 4.35Å; Q54-W137 HydrophobicContact CB-CZ3 4.31Å; Q54-W137 HydrophobicContact CG-CD2 4.09Å; Q54-W137 HydrophobicContact CG-CE3 4.01Å; Q54-W137 HydrophobicContact CG-CH2 3.81Å; Q54-W137 HydrophobicContact CG-CZ2 3.89Å; Q54-W137 HydrophobicContact CG-CZ3 3.87Å; M58-W137 HydrophobicContact CE-CD2 3.85Å; M58-W137 HydrophobicContact CE-CE3 3.58Å; M58-W137 HydrophobicContact CE-CH2 3.81Å; M58-W137 HydrophobicContact CE-CZ2 4.05Å; M58-W137 HydrophobicContact CE-CZ3 3.56Å; M58-W137 HydrophobicContact SD-CD2 3.76Å; M58-W137 HydrophobicContact SD-CE3 4.03Å; M58-W137 HydrophobicContact SD-CG 4.03Å; F74-W137 HydrophobicContact CB-CH2 4.02Å; L76-W137 HydrophobicContact CB-CZ3 4Å; L76-W137 HydrophobicContact CD2-CZ3 4.29Å; L81-W137 HydrophobicContact CD1-CZ3 4.22Å; I128-W137 HydrophobicContact CD1-CB 3.56Å; I128-W137 HydrophobicContact CD1-CG 3.89Å; L133-W137 WeakPolarHBondContact O-CB 3.46Å; L133-W137 PolarHBondContact O-N 2.99Å; F134-W137 PolarHBondContact O-N 3.41Å; W137-L141 HydrophobicContact CE3-CD1 4.43Å; W137-L141 HydrophobicContact CE3-CG 4.45Å; W137-L141 VanDerWaalsContact O-CB 3.23Å; W137-L141 WeakPolarHBondContact O-CB 3.41Å; W137-L141 WeakPolarHBondContact O-CD1 3.23Å; W137-L141 VanDerWaalsContact O-CG 3.27Å; W137-L141 WeakPolarHBondContact O-CG 3.21Å; W137-L141 PolarHBondContact O-N 3.01Å
138	V	92.8	Very high	90.7	Very high	11 Å²	11	54.7 Å²	54.7	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-46.5	171.6	159.8	0	0	0	0	111.1	I108 I115 F134 E136 R142	I108-V138 HydrophobicContact CD1-CB 4.39Å; I108-V138 HydrophobicContact CD1-CG1 3.63Å; I108-V138 HydrophobicContact CD1-CG2 3.92Å; I108-V138 HydrophobicContact CG1-CG2 4.25Å; I108-V138 HydrophobicContact CG2-CG2 3.98Å; I115-V138 HydrophobicContact CD1-CG2 3.68Å; I115-V138 HydrophobicContact CG1-CG2 4.13Å; F134-V138 HydrophobicContact CD1-CG2 4.46Å; F134-V138 HydrophobicContact CE1-CG2 4.13Å; F134-V138 HydrophobicContact CE2-CG2 4.17Å; F134-V138 HydrophobicContact CZ-CG2 4.01Å; F134-V138 WeakPolarHBondContact O-CB 3.4Å; F134-V138 VanDerWaalsContact O-CG2 3.29Å; F134-V138 WeakPolarHBondContact O-CG2 3.45Å; F134-V138 PolarHBondContact O-N 3.29Å; E136-V138 VanDerWaalsContact C-N 3.31Å; E136-V138 PolarHBondContact O-N 3.43Å; V138-R142 WeakPolarHBondContact O-CB 3.38Å; V138-R142 VanDerWaalsContact O-CG 3.23Å; V138-R142 WeakPolarHBondContact O-CG 3.45Å; V138-R142 PolarHBondContact O-N 3.37Å
139	S	92.6	Very high	90	Very high	77 Å²	77	56 Å²	56	54%	0.538	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-48.2	178.7	-173.6	0	0	0	0	111.7	D135 E136 R142 H143	D135-S139 VanDerWaalsContact O-CB 3.31Å; D135-S139 WeakPolarHBondContact O-CB 3.42Å; D135-S139 PolarHBondContact O-N 3.37Å; E136-S139 WeakPolarHBondContact O-CB 3.12Å; E136-S139 PolarHBondContact O-N 2.97Å; E136-S139 VanDerWaalsContact O-N 3.15Å; S139-R142 WeakPolarHBondContact O-CB 3.18Å; S139-R142 PolarHBondContact O-N 2.91Å; S139-H143 PolarHBondContact O-N 3.43Å
140	K	93.2	Very high	89.7	Confident	40 Å²	40	48.4 Å²	48.4	17%	0.174	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-48.8	176.4	-72.3	-75.4	-171.3	115.6	0	111.9	Q52 Q54 L76 E136 R142 H143 H144	Q52-K140 PolarHBondContact O-NZ 2.92Å; Q54-K140 HydrophobicContact CB-CB 4.08Å; Q54-K140 HydrophobicContact CB-CD 4.15Å; Q54-K140 HydrophobicContact CB-CG 4.04Å; Q54-K140 HydrophobicContact CG-CB 4.04Å; Q54-K140 HydrophobicContact CG-CD 4.46Å; Q54-K140 HydrophobicContact CG-CG 3.87Å; L76-K140 HydrophobicContact CD2-CB 4.37Å; E136-K140 PolarHBondContact O-N 3.37Å; K140-R142 VanDerWaalsContact C-N 3.31Å; K140-R142 PolarHBondContact O-N 3.26Å; K140-H143 PolarHBondContact O-N 3.04Å; K140-H143 VanDerWaalsContact O-N 3.15Å; K140-H144 WeakPolarHBondContact O-CB 3.23Å; K140-H144 PolarHBondContact O-CD2 2.9Å; K140-H144 PolarHBondContact O-N 3.43Å
141	L	92.8	Very high	89.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-38.7	177.3	-77.1	164.3	0	0	0	112.3	L76 L81 V101 M106 I115 L117 W137 R145	L76-L141 HydrophobicContact CD1-CD2 4.04Å; L76-L141 HydrophobicContact CD2-CD2 3.63Å; L76-L141 HydrophobicContact CD2-CG 3.93Å; L76-L141 HydrophobicContact CG-CD2 4.46Å; L81-L141 HydrophobicContact CD2-CD2 4.45Å; V101-L141 HydrophobicContact CG1-CD2 3.91Å; M106-L141 HydrophobicContact CE-CB 3.45Å; M106-L141 VanDerWaalsContact CE-CB 3.45Å; M106-L141 HydrophobicContact CE-CD1 3.9Å; M106-L141 HydrophobicContact CE-CG 4.3Å; M106-L141 HydrophobicContact SD-CB 3.95Å; I115-L141 HydrophobicContact CD1-CD1 3.89Å; I115-L141 HydrophobicContact CG2-CD1 4.34Å; L117-L141 HydrophobicContact CD1-CD2 4.18Å; W137-L141 HydrophobicContact CE3-CD1 4.43Å; W137-L141 HydrophobicContact CE3-CG 4.45Å; W137-L141 VanDerWaalsContact O-CB 3.23Å; W137-L141 WeakPolarHBondContact O-CB 3.41Å; W137-L141 WeakPolarHBondContact O-CD1 3.23Å; W137-L141 VanDerWaalsContact O-CG 3.27Å; W137-L141 WeakPolarHBondContact O-CG 3.21Å; W137-L141 PolarHBondContact O-N 3.01Å; L141-R145 WeakPolarHBondContact O-CB 3.15Å; L141-R145 PolarHBondContact O-N 2.77Å
142	R	91.3	Very high	88.5	Confident	87 Å²	87	49.4 Å²	49.4	33%	0.328	24%	0.239	S	C	.	.	H	α-helix	trans	-60.7	-47.6	172.3	-77	172.4	176.4	-152.4	-5.4	111.9	E36 V38 V138 S139 K140 R145 L146	E36-R142 IonicContact OE1-CZ 2.7Å; E36-R142 IonicContact OE1-NH1 3.99Å; E36-R142 IonicContact OE1-NH2 3.89Å; E36-R142 PolarHBondContact OE1-NH2 3.26Å; V38-R142 HydrophobicContact CG1-CG 3.89Å; V38-R142 HydrophobicContact CG2-CG 4.39Å; V138-R142 WeakPolarHBondContact O-CB 3.38Å; V138-R142 VanDerWaalsContact O-CG 3.23Å; V138-R142 WeakPolarHBondContact O-CG 3.45Å; V138-R142 PolarHBondContact O-N 3.37Å; S139-R142 WeakPolarHBondContact O-CB 3.18Å; S139-R142 PolarHBondContact O-N 2.91Å; K140-R142 VanDerWaalsContact C-N 3.31Å; K140-R142 PolarHBondContact O-N 3.26Å; R142-R145 PolarHBondContact O-N 3.47Å; R142-L146 WeakPolarHBondContact O-CB 3.25Å; R142-L146 PolarHBondContact O-N 2.69Å
143	H	90.1	Very high	87.4	Confident	75 Å²	75	44.6 Å²	44.6	35%	0.347	22%	0.224	S	C	.	.	H	α-helix	trans	-67.4	-46.9	-178.9	-164.5	-173.3	0	0	0	112.1	L49 P51 S139 K140 R145 L146 Y147	L49-H143 PolarHBondContact O-NE2 3.41Å; P51-H143 HydrophobicContact CB-CB 4.37Å; S139-H143 PolarHBondContact O-N 3.43Å; K140-H143 PolarHBondContact O-N 3.04Å; K140-H143 VanDerWaalsContact O-N 3.15Å; H143-R145 VanDerWaalsContact C-N 3.33Å; H143-R145 PolarHBondContact O-N 2.84Å; H143-L146 PolarHBondContact O-N 3.37Å; H143-Y147 WeakPolarHBondContact O-CB 3.36Å; H143-Y147 PolarHBondContact O-N 3.5Å
144	H	91.2	Very high	86.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-37.2	175.1	-79.1	-83.2	0	0	0	112.9	P51 Q52 L76 G79 V101 K140 R148	P51-H144 HydrophobicContact CG-CB 4.38Å; P51-H144 VanDerWaalsContact CG-ND1 3.33Å; P51-H144 WeakPolarHBondContact CG-ND1 3.5Å; P51-H144 PolarHBondContact O-CE1 3.44Å; Q52-H144 PolarHBondContact O-NE2 3.43Å; L76-H144 HydrophobicContact CD1-CB 4.01Å; L76-H144 HydrophobicContact CD2-CB 4.02Å; L76-H144 WeakPolarHBondContact CD2-CD2 3.43Å; L76-H144 HydrophobicContact CG-CB 4.08Å; G79-H144 PolarHBondContact N-ND1 3.29Å; V101-H144 HydrophobicContact CG2-CB 4.19Å; K140-H144 WeakPolarHBondContact O-CB 3.23Å; K140-H144 PolarHBondContact O-CD2 2.9Å; K140-H144 PolarHBondContact O-N 3.43Å; H144-R148 WeakPolarHBondContact O-CB 3.32Å; H144-R148 PolarHBondContact O-N 2.71Å
145	R	86.6	Confident	84.1	Confident	19 Å²	19	47.6 Å²	47.6	7%	0.072	25%	0.246	C	C	.	.	H	α-helix	trans	-68	-44.2	174.4	178.1	163.4	-172.7	-98.2	9.8	112.4	V38 E39 V101 S104 L141 R142 H143 R148 Q149	V38-R145 PolarHBondContact O-NH1 2.9Å; E39-R145 PolarHBondContact O-NH1 3.01Å; V101-R145 HydrophobicContact CB-CB 4.48Å; V101-R145 HydrophobicContact CG2-CB 4.09Å; V101-R145 WeakPolarHBondContact O-CD 3.5Å; V101-R145 VanDerWaalsContact O-CG 3.22Å; V101-R145 WeakPolarHBondContact O-CG 3.32Å; V101-R145 PolarHBondContact O-NE 3.38Å; S104-R145 VanDerWaalsContact O-CZ 3.31Å; S104-R145 PolarHBondContact O-NE 3.16Å; S104-R145 PolarHBondContact O-NH2 3.23Å; L141-R145 WeakPolarHBondContact O-CB 3.15Å; L141-R145 PolarHBondContact O-N 2.77Å; R142-R145 PolarHBondContact O-N 3.47Å; H143-R145 VanDerWaalsContact C-N 3.33Å; H143-R145 PolarHBondContact O-N 2.84Å; R145-R148 PolarHBondContact O-N 3Å; R145-Q149 WeakPolarHBondContact O-CB 3.09Å; R145-Q149 VanDerWaalsContact O-CG 3.28Å; R145-Q149 WeakPolarHBondContact O-CG 3.15Å; R145-Q149 PolarHBondContact O-N 3.26Å
146	L	84.4	Confident	81.9	Confident	62 Å²	62	47.9 Å²	47.9	33%	0.325	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-46.2	178	-171.5	73.1	0	0	0	111.5	L41 V48 R142 H143 Q149 N150	L41-L146 HydrophobicContact CB-CD1 4.06Å; L41-L146 HydrophobicContact CD1-CD1 4Å; L41-L146 HydrophobicContact CG-CD1 3.81Å; V48-L146 HydrophobicContact CG1-CD2 4.26Å; V48-L146 HydrophobicContact CG1-CG 4.36Å; V48-L146 HydrophobicContact CG2-CD2 4.19Å; V48-L146 HydrophobicContact CG2-CG 4.13Å; R142-L146 WeakPolarHBondContact O-CB 3.25Å; R142-L146 PolarHBondContact O-N 2.69Å; H143-L146 PolarHBondContact O-N 3.37Å; L146-Q149 PolarHBondContact O-N 3.21Å; L146-N150 PolarHBondContact O-N 3.06Å
147	Y	86.5	Confident	79.3	Confident	16 Å²	16	48.6 Å²	48.6	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-50.4	174.9	171.3	-106.9	0	0	0	111.1	V48 E50 P51 K78 H143 Q149 N150 E151	V48-Y147 HydrophobicContact CG1-CD2 4.45Å; E50-Y147 HydrophobicContact CB-CE2 4.25Å; E50-Y147 HydrophobicContact CG-CE1 4.22Å; E50-Y147 HydrophobicContact CG-CE2 4.39Å; P51-Y147 VanDerWaalsContact CD-CD1 3.4Å; P51-Y147 HydrophobicContact CG-CD1 3.82Å; P51-Y147 HydrophobicContact CG-CG 3.9Å; K78-Y147 HydrophobicContact CB-CE1 4.25Å; H143-Y147 WeakPolarHBondContact O-CB 3.36Å; H143-Y147 PolarHBondContact O-N 3.5Å; Y147-Q149 VanDerWaalsContact C-N 3.32Å; Y147-Q149 PolarHBondContact O-N 3.19Å; Y147-N150 CarbonylContact O-C 3.57Å; Y147-N150 WeakPolarHBondContact O-CA 3.25Å; Y147-N150 WeakPolarHBondContact O-CB 3.45Å; Y147-N150 PolarHBondContact O-N 3.15Å; Y147-E151 HydrophobicContact CD1-CG 4.21Å; Y147-E151 HydrophobicContact CD2-CG 4.28Å; Y147-E151 HydrophobicContact CE1-CG 3.78Å; Y147-E151 HydrophobicContact CE2-CG 3.81Å; Y147-E151 VanDerWaalsContact CE2-OE1 3.26Å; Y147-E151 WeakPolarHBondContact CE2-OE1 3.3Å; Y147-E151 HydrophobicContact CG-CG 4.44Å; Y147-E151 VanDerWaalsContact CZ-OE1 3.25Å; Y147-E151 WeakPolarHBondContact O-CG 3.25Å; Y147-E151 PolarHBondContact O-N 3.08Å; Y147-E151 PolarHBondContact OH-OE1 2.9Å; Y147-E151 PolarHBondContact OH-OE2 3.03Å
148	R	85.5	Confident	76.3	Confident	76 Å²	76	55.6 Å²	55.6	29%	0.287	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-34.2	179.6	-173.4	56.7	172.6	160.3	3.5	113.3	D100 H144 R145 I152	D100-R148 WeakPolarHBondContact OD1-CG 3.38Å; D100-R148 IonicContact OD1-NE 3.23Å; D100-R148 IonicContact OD2-CZ 2.77Å; D100-R148 VanDerWaalsContact OD2-CZ 3.23Å; D100-R148 IonicContact OD2-NE 2.65Å; D100-R148 PolarHBondContact OD2-NE 2.91Å; D100-R148 IonicContact OD2-NH2 2.69Å; D100-R148 PolarHBondContact OD2-NH2 2.9Å; H144-R148 WeakPolarHBondContact O-CB 3.32Å; H144-R148 PolarHBondContact O-N 2.71Å; R145-R148 PolarHBondContact O-N 3Å; R148-I152 HydrophobicContact CG-CD1 4.15Å; R148-I152 WeakPolarHBondContact O-CB 3.47Å; R148-I152 WeakPolarHBondContact O-CD1 3.36Å; R148-I152 WeakPolarHBondContact O-CG1 3.14Å; R148-I152 PolarHBondContact O-N 2.89Å
149	Q	81.4	Confident	73.6	Confident	34 Å²	34	63.5 Å²	63.5	16%	0.159	33%	0.331	C	S	.	.	H	α-helix	trans	-68.1	-35.3	171	-75.1	177.5	-1.9	0	0	112.1	G40 L41 G102 R145 L146 Y147 A153	G40-Q149 VanDerWaalsContact CA-OE1 3.29Å; L41-Q149 HydrophobicContact CB-CB 4.16Å; L41-Q149 HydrophobicContact CD1-CB 4.07Å; G102-Q149 WeakPolarHBondContact O-CG 3.49Å; G102-Q149 PolarHBondContact O-NE2 3.5Å; R145-Q149 WeakPolarHBondContact O-CB 3.09Å; R145-Q149 VanDerWaalsContact O-CG 3.28Å; R145-Q149 WeakPolarHBondContact O-CG 3.15Å; R145-Q149 PolarHBondContact O-N 3.26Å; L146-Q149 PolarHBondContact O-N 3.21Å; Y147-Q149 VanDerWaalsContact C-N 3.32Å; Y147-Q149 PolarHBondContact O-N 3.19Å; Q149-A153 VanDerWaalsContact O-CB 3.31Å; Q149-A153 WeakPolarHBondContact O-CB 3.38Å; Q149-A153 PolarHBondContact O-N 3.24Å
150	N	79.8	Confident	70.8	Confident	11 Å²	11	63 Å²	63	6%	0.059	33%	0.328	C	S	.	.	H	α-helix	trans	-67.4	-45.5	173.4	-162.7	50.6	0	0	0	111.4	L41 V45 S46 V48 L146 Y147 I152 A153 M154	L41-N150 HydrophobicContact CD1-CB 3.78Å; V45-N150 PolarHBondContact O-OD1 3.26Å; S46-N150 PolarHBondContact O-ND2 2.66Å; V48-N150 HydrophobicContact CB-CB 4.14Å; V48-N150 HydrophobicContact CG2-CB 3.84Å; L146-N150 PolarHBondContact O-N 3.06Å; Y147-N150 CarbonylContact O-C 3.57Å; Y147-N150 WeakPolarHBondContact O-CA 3.25Å; Y147-N150 WeakPolarHBondContact O-CB 3.45Å; Y147-N150 PolarHBondContact O-N 3.15Å; N150-I152 VanDerWaalsContact C-N 3.35Å; N150-I152 PolarHBondContact O-N 2.99Å; N150-A153 CarbonylContact O-C 3.49Å; N150-A153 PolarHBondContact O-N 2.76Å; N150-M154 WeakPolarHBondContact O-CB 3.47Å; N150-M154 VanDerWaalsContact O-CG 3.29Å; N150-M154 WeakPolarHBondContact O-CG 3.48Å; N150-M154 PolarHBondContact O-N 3.29Å
151	E	79.3	Confident	67.8	Low	71 Å²	71	70.2 Å²	70.2	33%	0.332	36%	0.359	S	S	.	.	H	α-helix	trans	-55.5	-48.2	174.6	-66.7	-84.2	123.8	0	0	111.3	Y147 A153 M154 C155	Y147-E151 HydrophobicContact CD1-CG 4.21Å; Y147-E151 HydrophobicContact CD2-CG 4.28Å; Y147-E151 HydrophobicContact CE1-CG 3.78Å; Y147-E151 HydrophobicContact CE2-CG 3.81Å; Y147-E151 VanDerWaalsContact CE2-OE1 3.26Å; Y147-E151 WeakPolarHBondContact CE2-OE1 3.3Å; Y147-E151 HydrophobicContact CG-CG 4.44Å; Y147-E151 VanDerWaalsContact CZ-OE1 3.25Å; Y147-E151 WeakPolarHBondContact O-CG 3.25Å; Y147-E151 PolarHBondContact O-N 3.08Å; Y147-E151 PolarHBondContact OH-OE1 2.9Å; Y147-E151 PolarHBondContact OH-OE2 3.03Å; E151-A153 VanDerWaalsContact C-N 3.35Å; E151-A153 PolarHBondContact O-N 3.32Å; E151-M154 PolarHBondContact O-N 2.93Å; E151-C155 WeakPolarHBondContact O-CB 3.4Å; E151-C155 PolarHBondContact O-N 3.2Å; E151-C155 PolarHBondContact O-SG 2.85Å; E151-C155 VanDerWaalsContact O-SG 3.35Å
152	I	76.2	Confident	64.7	Low	68 Å²	68	79.8 Å²	79.8	35%	0.349	40%	0.401	S	S	.	.	H	α-helix	trans	-62.8	-40.8	177.7	-68.5	163.6	0	0	0	111.3	L103 R148 N150 A156	L103-I152 HydrophobicContact CD2-CD1 3.9Å; L103-I152 HydrophobicContact CG-CD1 4.13Å; R148-I152 HydrophobicContact CG-CD1 4.15Å; R148-I152 WeakPolarHBondContact O-CB 3.47Å; R148-I152 WeakPolarHBondContact O-CD1 3.36Å; R148-I152 WeakPolarHBondContact O-CG1 3.14Å; R148-I152 PolarHBondContact O-N 2.89Å; N150-I152 VanDerWaalsContact C-N 3.35Å; N150-I152 PolarHBondContact O-N 2.99Å; I152-A156 PolarHBondContact O-N 3.25Å
153	A	69.4	Low	61.8	Low	47 Å²	47	85.1 Å²	85.1	39%	0.388	43%	0.427	S	S	.	.	H	α-helix	trans	-70.4	-36.7	177.2	0	0	0	0	0	112.8	Q149 N150 E151 A156 N157	Q149-A153 VanDerWaalsContact O-CB 3.31Å; Q149-A153 WeakPolarHBondContact O-CB 3.38Å; Q149-A153 PolarHBondContact O-N 3.24Å; N150-A153 CarbonylContact O-C 3.49Å; N150-A153 PolarHBondContact O-N 2.76Å; E151-A153 VanDerWaalsContact C-N 3.35Å; E151-A153 PolarHBondContact O-N 3.32Å; A153-A156 WeakPolarHBondContact O-CB 3.35Å; A153-A156 PolarHBondContact O-N 2.93Å; A153-N157 WeakPolarHBondContact O-CB 3.21Å; A153-N157 PolarHBondContact O-N 3.06Å
154	M	63	Low	58.9	Low	55 Å²	55	86.6 Å²	86.6	27%	0.271	44%	0.443	S	S	.	.	H	α-helix	trans	-77.2	-36.5	180	-69.1	-57	173.5	0	0	112.1	S46 N150 E151 A156 N157 E158	S46-M154 VanDerWaalsContact CA-CE 3.49Å; S46-M154 WeakPolarHBondContact O-CE 3.5Å; N150-M154 WeakPolarHBondContact O-CB 3.47Å; N150-M154 VanDerWaalsContact O-CG 3.29Å; N150-M154 WeakPolarHBondContact O-CG 3.48Å; N150-M154 PolarHBondContact O-N 3.29Å; E151-M154 PolarHBondContact O-N 2.93Å; M154-A156 PolarHBondContact O-N 3.07Å; M154-A156 VanDerWaalsContact O-N 3.17Å; M154-N157 CarbonylContact O-C 3.52Å; M154-N157 WeakPolarHBondContact O-CA 3.48Å; M154-N157 PolarHBondContact O-N 2.92Å; M154-N157 HydrophobicContact SD-CB 4.43Å; M154-E158 WeakPolarHBondContact O-CG 3.33Å; M154-E158 PolarHBondContact O-N 3.21Å
155	C	51.9	Low	55.9	Low	92 Å²	92	95.3 Å²	95.3	62%	0.622	49%	0.486	S	S	*	.	H	α-helix	trans	-61.2	-23.2	168.5	-69.5	0	0	0	0	113.1	E151	E151-C155 WeakPolarHBondContact O-CB 3.4Å; E151-C155 PolarHBondContact O-N 3.2Å; E151-C155 PolarHBondContact O-SG 2.85Å; E151-C155 VanDerWaalsContact O-SG 3.35Å
156	A	45.9	Very low	53.3	Low	76 Å²	76	104.8 Å²	104.8	63%	0.628	52%	0.524	S	S	*	.	H	α-helix	trans	-80.8	-22.7	169.5	0	0	0	0	0	113.4	I152 A153 M154	I152-A156 PolarHBondContact O-N 3.25Å; A153-A156 WeakPolarHBondContact O-CB 3.35Å; A153-A156 PolarHBondContact O-N 2.93Å; M154-A156 PolarHBondContact O-N 3.07Å; M154-A156 VanDerWaalsContact O-N 3.17Å
157	N	36.6	Very low	50.9	Low	95 Å²	95	107.6 Å²	107.6	51%	0.508	55%	0.545	S	S	.	.	H	α-helix	trans	-108.3	-17.9	-170.9	-145.5	34.9	0	0	0	114.6	A153 M154 K159 S160	A153-N157 WeakPolarHBondContact O-CB 3.21Å; A153-N157 PolarHBondContact O-N 3.06Å; M154-N157 CarbonylContact O-C 3.52Å; M154-N157 WeakPolarHBondContact O-CA 3.48Å; M154-N157 PolarHBondContact O-N 2.92Å; M154-N157 HydrophobicContact SD-CB 4.43Å; N157-K159 PolarHBondContact O-N 2.88Å; N157-K159 VanDerWaalsContact O-N 3.1Å; N157-S160 WeakPolarHBondContact O-CA 3.25Å; N157-S160 VanDerWaalsContact O-CB 3.25Å; N157-S160 WeakPolarHBondContact O-CB 3.43Å; N157-S160 PolarHBondContact O-N 3.41Å
158	E	31.8	Very low	48	Very low	156 Å²	156	112.6 Å²	112.6	73%	0.729	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-7.1	175.5	-80.8	-167.6	147.4	0	0	113.9	M154 S160	M154-E158 WeakPolarHBondContact O-CG 3.33Å; M154-E158 PolarHBondContact O-N 3.21Å; E158-S160 PolarHBondContact O-N 3.31Å
159	K	35.5	Very low	45.7	Very low	177 Å²	177	114 Å²	114	77%	0.77	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-4.6	161.2	-70.3	-174	175.7	-179	0	113	N157	N157-K159 PolarHBondContact O-N 2.88Å; N157-K159 VanDerWaalsContact O-N 3.1Å
160	S	33.8	Very low	43.1	Very low	67 Å²	67	119.8 Å²	119.8	47%	0.469	63%	0.634	S	S	.	*	S	Bend	trans	-123.5	84.9	-178.2	-52.6	0	0	0	0	111.2	N157 E158	N157-S160 WeakPolarHBondContact O-CA 3.25Å; N157-S160 VanDerWaalsContact O-CB 3.25Å; N157-S160 WeakPolarHBondContact O-CB 3.43Å; N157-S160 PolarHBondContact O-N 3.41Å; E158-S160 PolarHBondContact O-N 3.31Å
161	F	31.5	Very low	40.7	Very low	191 Å²	191	124.6 Å²	124.6	84%	0.838	67%	0.668	S	S	*	*			trans	67	112.8	167.9	-52.6	-87	0	0	0	118.4
162	F	26.7	Very low	39	Very low	200 Å²	200	127.2 Å²	127.2	88%	0.877	69%	0.691	S	S	*	*				-154.7	131.1	115.3	-117.8	-74.3	0	0	0	112.8
163	F	31.8	Very low	36.6	Very low	199 Å²	199	127.1 Å²	127.1	87%	0.873	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-97	127.4	164.1	-107.2	-92	0	0	0	108.5
164	P	29.3	Very low	34.6	Very low	107 Å²	107	132.9 Å²	132.9	70%	0.695	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-100.5	131.4	159.9	-2	22.4	0	0	0	110.7
165	M	27.8	Very low	33	Very low	182 Å²	182	134.4 Å²	134.4	90%	0.897	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-78.5	141.5	165.3	-72.8	-167.7	72.6	0	0	110.7
166	Y	30.8	Very low	31.8	Very low	219 Å²	219	139.4 Å²	139.4	86%	0.859	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-86.1	142.9	165.6	-88.7	-94.7	0	0	0	111.3
167	P	34.3	Very low	30.7	Very low	120 Å²	120	139 Å²	139	78%	0.779	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-82.8	155	164.6	35	-33.6	0	0	0	111.3
168	S	26.3	Very low	31	Very low	121 Å²	121	140.4 Å²	140.4	85%	0.846	78%	0.782	S	S	*	*			trans	-151.4	152.3	167.1	-149.7	0	0	0	0	110
169	P	36.6	Very low	30.8	Very low	105 Å²	105	136.9 Å²	136.9	68%	0.682	78%	0.775	S	S	*	*			trans	-99.2	162.6	-157.4	37.8	-36.1	0	0	0	116.1
170	N	26.7	Very low	30.3	Very low	157 Å²	157	135.4 Å²	135.4	84%	0.84	78%	0.775	S	S	*	*			trans	62.7	110	155.2	-62.3	-6.1	0	0	0	120
171	S	30	Very low	30.1	Very low	111 Å²	111	142.3 Å²	142.3	78%	0.776	79%	0.79	S	S	*	*			trans	-50.9	165.5	145.7	-48.3	0	0	0	0	112.4
172	P	42.8	Very low	30	Very low	127 Å²	127	141.7 Å²	141.7	83%	0.825	79%	0.787	S	S	*	*			cis	-142.3	168.6	18	42.4	-24.3	0	0	0	118.2
173	G	27.2	Very low	29.9	Very low	65 Å²	65	137.6 Å²	137.6	67%	0.67	78%	0.779	S	S	*	*				89.4	115.2	125.9	0	0	0	0	0	121.4
174	I	27.3	Very low	29.6	Very low	169 Å²	169	135.9 Å²	135.9	87%	0.867	78%	0.775	S	S	*	*			trans	65.9	102.7	133.7	-56.7	177	0	0	0	119.3
175	A	28	Very low	29.3	Very low	87 Å²	87	134.7 Å²	134.7	72%	0.719	77%	0.77	S	S	*	*			trans	71.1	167	132.5	0	0	0	0	0	123.3
176	E	26.1	Very low	29.2	Very low	197 Å²	197	133.6 Å²	133.6	92%	0.921	77%	0.766	S	S	*	*			trans	74.5	148.6	169.8	-51.2	-153.8	149.5	0	0	120.1
177	G	23.6	Very low	29	Very low	67 Å²	67	134.5 Å²	134.5	69%	0.691	77%	0.768	S	S	*	*			trans	-127.1	-138.1	165.4	0	0	0	0	0	107.6
178	P	43.5	Very low	28.6	Very low	125 Å²	125	139.4 Å²	139.4	81%	0.812	77%	0.771	S	S	*	*			cis	-136.9	-172.3	-11.1	43	-27.1	0	0	0	113.5
179	S	27.3	Very low	28.6	Very low	82 Å²	82	141.2 Å²	141.2	57%	0.573	77%	0.766	S	S	*	*			trans	71.7	136.3	156.8	-166.3	0	0	0	0	116.2
180	L	25.9	Very low	28	Very low	146 Å²	146	140.6 Å²	140.6	76%	0.764	76%	0.764	S	S	*	*				-148.8	143	58.1	-75.3	156.4	0	0	0	109.4
181	R	27.7	Very low	28	Very low	211 Å²	211	137.7 Å²	137.7	80%	0.796	76%	0.756	S	S	*	*				57.3	134	71.4	-61.7	-171.7	-177.8	-179.7	1.3	112.5
182	K	29.9	Very low	27.7	Very low	178 Å²	178	138.9 Å²	138.9	77%	0.774	76%	0.758	S	S	*	*			cis	-169.7	152.7	16.5	-142.9	-165.6	176.6	-175.1	0	113.4
183	V	25.5	Very low	26.9	Very low	115 Å²	115	140.6 Å²	140.6	70%	0.697	76%	0.76	S	S	*	*			trans	68	143.9	139.6	137.7	0	0	0	0	117.8
184	M	24.8	Very low	28.1	Very low	162 Å²	162	143 Å²	143	80%	0.798	76%	0.764	S	S	*	*			cis	-146.7	-176.9	7.1	-134.4	-173.1	-178	0	0	108.3
185	S	23.8	Very low	28	Very low	83 Å²	83	139.7 Å²	139.7	58%	0.58	76%	0.761	S	S	*	*			cis	-161.4	-177.9	-6	-147.6	0	0	0	0	106.5
186	I	25.4	Very low	28	Very low	159 Å²	159	141.5 Å²	141.5	82%	0.815	77%	0.769	S	S	*	*			cis	-136.6	154.6	-2	-42.2	165.9	0	0	0	106.7
187	R	25.8	Very low	28	Very low	238 Å²	238	135.7 Å²	135.7	90%	0.898	76%	0.762	S	S	*	*			trans	-152.1	126.6	165.1	-174.9	-173.3	-177	-163.2	3.8	112.8
188	R	26.7	Very low	28	Very low	222 Å²	222	142.7 Å²	142.7	84%	0.838	77%	0.774	S	S	*	*			trans	-161.9	160	162	-75.5	-158.2	178	171.3	-0.1	108.3
189	Q	27	Very low	27.9	Very low	159 Å²	159	142.1 Å²	142.1	74%	0.743	77%	0.77	S	S	*	*			cis	179.2	148.5	-30.6	-106.7	174.8	-97.1	0	0	104.7
190	S	23.8	Very low	27.9	Very low	92 Å²	92	145.9 Å²	145.9	64%	0.643	78%	0.782	S	S	*	*			cis	-161.3	-157.1	-19.9	45.5	0	0	0	0	105.3
191	S	25.2	Very low	28.1	Very low	97 Å²	97	143.4 Å²	143.4	68%	0.678	78%	0.778	S	S	*	*			cis	-171.6	-170.1	7	7.9	0	0	0	0	107.8
192	V	25.1	Very low	28.3	Very low	136 Å²	136	139.1 Å²	139.1	82%	0.824	78%	0.78	S	S	*	*			trans	88.1	125.9	159	-168.4	0	0	0	0	119
193	L	26.3	Very low	28.6	Very low	162 Å²	162	132.9 Å²	132.9	85%	0.848	76%	0.759	S	S	*	*			trans	-123.5	169	149	-74.7	172.3	0	0	0	106.2
194	P	52.4	Low	29.4	Very low	117 Å²	117	131.9 Å²	131.9	76%	0.76	76%	0.757	S	S	*	*			cis	-129.3	175.7	-0.8	41.5	-27.5	0	0	0	114
195	A	25.2	Very low	30.2	Very low	98 Å²	98	131.1 Å²	131.1	81%	0.81	75%	0.751	S	S	*	*			trans	-177.3	156.6	138.6	0	0	0	0	0	113.2
196	S	27.6	Very low	31.1	Very low	126 Å²	126	132.1 Å²	132.1	88%	0.881	75%	0.754	S	S	*	*			trans	-50	143.7	176.1	50.3	0	0	0	0	118.1
197	G	24.9	Very low	32.2	Very low	75 Å²	75	133 Å²	133	77%	0.773	75%	0.751	S	S	*	*			trans	-175.7	139.9	164.1	0	0	0	0	0	113
198	F	24.8	Very low	33.1	Very low	214 Å²	214	125.3 Å²	125.3	94%	0.939	73%	0.731	S	S	*	*			trans	-74.5	164.5	-174.5	-90.3	-97.7	0	0	0	114
199	P	41.8	Very low	33.9	Very low	112 Å²	112	116.9 Å²	116.9	73%	0.727	71%	0.709	S	S	*	*			trans	-93.3	151.3	-158.3	35.8	-35.8	0	0	0	115.4
200	L	27.2	Very low	34.9	Very low	161 Å²	161	112.1 Å²	112.1	84%	0.843	70%	0.697	S	S	*	*			trans	-133.2	129.1	160.2	-103.9	96.6	0	0	0	112.9
201	S	30.3	Very low	36.2	Very low	95 Å²	95	115.2 Å²	115.2	66%	0.664	69%	0.694	S	S	*	*			trans	20.6	135.8	148.6	58.6	0	0	0	0	122.9
202	S	30.3	Very low	37.3	Very low	121 Å²	121	115.5 Å²	115.5	85%	0.846	69%	0.688	S	S	*	*			trans	80.6	155.1	155.1	86.6	0	0	0	0	117.3
203	S	36.7	Very low	38.5	Very low	47 Å²	47	116.5 Å²	116.5	33%	0.329	68%	0.683	S	S	.	*			cis	-132.2	148	3.8	71.7	0	0	0	0	113.4	Q205 V206	S203-Q205 PolarHBondContact O-N 3.37Å; S203-V206 PolarHBondContact O-N 3.02Å
204	S	42.4	Very low	39.8	Very low	94 Å²	94	111 Å²	111	66%	0.657	66%	0.659	S	S	*	*	H	α-helix	trans	-63.5	-23	167.2	44.1	0	0	0	0	112.2	V206 K207 V208	S204-V206 VanDerWaalsContact C-N 3.26Å; S204-V206 PolarHBondContact O-N 2.82Å; S204-K207 PolarHBondContact O-N 3.26Å; S204-K207 VanDerWaalsContact O-N 3.09Å; S204-V208 PolarHBondContact O-N 2.89Å
205	Q	40.7	Very low	40	Very low	146 Å²	146	107.1 Å²	107.1	68%	0.682	64%	0.635	S	S	*	*	H	α-helix	trans	-58.8	-31.3	177.1	-68.6	172.8	-41.3	0	0	113.1	S203 V208 A209	S203-Q205 PolarHBondContact O-N 3.37Å; Q205-V208 PolarHBondContact O-N 3.06Å; Q205-A209 WeakPolarHBondContact O-CB 3.5Å; Q205-A209 PolarHBondContact O-N 2.87Å
206	V	43.7	Very low	41.7	Very low	104 Å²	104	108.7 Å²	108.7	63%	0.63	63%	0.629	S	S	*	*	H	α-helix	trans	-67.5	-38.4	175.8	-178.8	0	0	0	0	111.3	S203 S204 A210	S203-V206 PolarHBondContact O-N 3.02Å; S204-V206 VanDerWaalsContact C-N 3.26Å; S204-V206 PolarHBondContact O-N 2.82Å; V206-A210 WeakPolarHBondContact O-CB 3.27Å; V206-A210 PolarHBondContact O-N 2.97Å
207	K	48.1	Very low	43.7	Very low	176 Å²	176	107.1 Å²	107.1	77%	0.765	61%	0.611	S	S	*	*	H	α-helix	trans	-71	-40.9	174.4	-73.6	-167.6	173.2	-169.6	0	112.2	S204 A210 W211	S204-K207 PolarHBondContact O-N 3.26Å; S204-K207 VanDerWaalsContact O-N 3.09Å; K207-A210 PolarHBondContact O-N 3.37Å; K207-W211 WeakPolarHBondContact O-CB 3.14Å; K207-W211 PolarHBondContact O-N 3.36Å
208	V	45.3	Very low	46.1	Very low	77 Å²	77	107 Å²	107	47%	0.467	59%	0.591	S	S	.	*	H	α-helix	trans	-67.3	-38.1	176.6	175.5	0	0	0	0	111.1	S204 Q205 W211 L212	S204-V208 PolarHBondContact O-N 2.89Å; Q205-V208 PolarHBondContact O-N 3.06Å; V208-W211 PolarHBondContact O-N 3.06Å; V208-L212 HydrophobicContact CG1-CD1 3.88Å; V208-L212 HydrophobicContact CG1-CG 4.31Å; V208-L212 WeakPolarHBondContact O-CB 3.48Å; V208-L212 VanDerWaalsContact O-CG 3.29Å; V208-L212 WeakPolarHBondContact O-CG 3.41Å; V208-L212 PolarHBondContact O-N 2.93Å
209	A	43.2	Very low	48.7	Very low	45 Å²	45	100.3 Å²	100.3	37%	0.372	57%	0.565	S	S	.	*	H	α-helix	trans	-65	-42.7	173.3	0	0	0	0	0	111.9	Q205 W211 L212 Q213	Q205-A209 WeakPolarHBondContact O-CB 3.5Å; Q205-A209 PolarHBondContact O-N 2.87Å; A209-W211 VanDerWaalsContact C-N 3.26Å; A209-W211 PolarHBondContact O-N 3.17Å; A209-L212 PolarHBondContact O-N 2.81Å; A209-Q213 VanDerWaalsContact O-CB 3.31Å; A209-Q213 WeakPolarHBondContact O-CB 3.41Å; A209-Q213 VanDerWaalsContact O-CG 3.25Å; A209-Q213 WeakPolarHBondContact O-CG 3.27Å; A209-Q213 PolarHBondContact O-N 2.67Å
210	A	47	Very low	50.6	Low	60 Å²	60	99.1 Å²	99.1	50%	0.496	55%	0.548	S	S	.	.	H	α-helix	trans	-65.2	-28.3	174.3	0	0	0	0	0	113.2	V206 K207	V206-A210 WeakPolarHBondContact O-CB 3.27Å; V206-A210 PolarHBondContact O-N 2.97Å; K207-A210 PolarHBondContact O-N 3.37Å
211	W	52.3	Low	53.2	Low	156 Å²	156	91.5 Å²	91.5	59%	0.591	51%	0.509	S	S	*	.	H	α-helix	trans	-79.7	-38.5	175.5	-167.2	81	0	0	0	112.2	K207 V208 A209 Q213 S214 L361	K207-W211 WeakPolarHBondContact O-CB 3.14Å; K207-W211 PolarHBondContact O-N 3.36Å; V208-W211 PolarHBondContact O-N 3.06Å; A209-W211 VanDerWaalsContact C-N 3.26Å; A209-W211 PolarHBondContact O-N 3.17Å; W211-Q213 VanDerWaalsContact C-N 3.29Å; W211-Q213 PolarHBondContact O-N 2.79Å; W211-S214 PolarHBondContact O-N 3.43Å; W211-S214 PolarHBondContact O-OG 3.18Å; W211-L361 HydrophobicContact CZ2-CD2 4.5Å
212	L	48.8	Very low	55.7	Low	103 Å²	103	90.3 Å²	90.3	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-68.9	-26.7	170.7	-70.1	169.4	0	0	0	112.3	V208 A209 S214 S215	V208-L212 HydrophobicContact CG1-CD1 3.88Å; V208-L212 HydrophobicContact CG1-CG 4.31Å; V208-L212 WeakPolarHBondContact O-CB 3.48Å; V208-L212 VanDerWaalsContact O-CG 3.29Å; V208-L212 WeakPolarHBondContact O-CG 3.41Å; V208-L212 PolarHBondContact O-N 2.93Å; A209-L212 PolarHBondContact O-N 2.81Å; L212-S214 PolarHBondContact O-N 2.75Å; L212-S215 WeakPolarHBondContact O-CB 3.4Å; L212-S215 PolarHBondContact O-N 2.88Å
213	Q	48.5	Very low	58.4	Low	157 Å²	157	90.7 Å²	90.7	73%	0.734	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	5.4	171	-77.1	175.3	-8.8	0	0	113.8	A209 W211	A209-Q213 VanDerWaalsContact O-CB 3.31Å; A209-Q213 WeakPolarHBondContact O-CB 3.41Å; A209-Q213 VanDerWaalsContact O-CG 3.25Å; A209-Q213 WeakPolarHBondContact O-CG 3.27Å; A209-Q213 PolarHBondContact O-N 2.67Å; W211-Q213 VanDerWaalsContact C-N 3.29Å; W211-Q213 PolarHBondContact O-N 2.79Å
214	S	54.2	Low	60.8	Low	48 Å²	48	90 Å²	90	34%	0.336	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	21.6	161.9	83.8	0	0	0	0	113	W211 L212 R360	W211-S214 PolarHBondContact O-N 3.43Å; W211-S214 PolarHBondContact O-OG 3.18Å; L212-S214 PolarHBondContact O-N 2.75Å; S214-R360 PolarHBondContact OG-NH1 3.31Å
215	S	56.6	Low	63	Low	35 Å²	35	89.5 Å²	89.5	25%	0.245	47%	0.469	C	S	.	.			trans	-83.4	-12.9	-178.2	-167.8	0	0	0	0	114.3	L212 D217 M218 D219	L212-S215 WeakPolarHBondContact O-CB 3.4Å; L212-S215 PolarHBondContact O-N 2.88Å; S215-D217 VanDerWaalsContact C-N 3.27Å; S215-D217 PolarHBondContact O-N 3.33Å; S215-M218 CarbonylContact O-C 3.6Å; S215-M218 WeakPolarHBondContact O-CA 3.08Å; S215-M218 WeakPolarHBondContact O-CB 3.37Å; S215-M218 PolarHBondContact O-N 2.79Å; S215-D219 VanDerWaalsContact CB-OD2 3.27Å; S215-D219 WeakPolarHBondContact CB-OD2 3.42Å; S215-D219 PolarHBondContact O-N 3.04Å; S215-D219 PolarHBondContact OG-OD2 3.44Å
216	D	62.2	Low	65.3	Low	131 Å²	131	86.7 Å²	86.7	70%	0.701	46%	0.462	S	S	*	.	H	α-helix	trans	-52.1	-38.2	-170.3	-73.5	-26.3	0	0	0	114.3	K220	D216-K220 WeakPolarHBondContact O-CB 3.33Å; D216-K220 PolarHBondContact O-N 3.47Å
217	D	68.7	Low	67.5	Low	93 Å²	93	84.6 Å²	84.6	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-71.2	-29.6	176	-89.4	-51.6	0	0	0	113.7	S215 C221	S215-D217 VanDerWaalsContact C-N 3.27Å; S215-D217 PolarHBondContact O-N 3.33Å; D217-C221 VanDerWaalsContact O-CB 3.23Å; D217-C221 WeakPolarHBondContact O-CB 3.47Å; D217-C221 PolarHBondContact O-N 2.66Å
218	M	76.3	Confident	69.6	Low	73 Å²	73	76.5 Å²	76.5	36%	0.36	42%	0.415	S	S	.	.	H	α-helix	trans	-80.9	-39.9	175.3	-74.4	-60.4	-62	0	0	111.8	S215 K220 C221 S222 L354 E357	S215-M218 CarbonylContact O-C 3.6Å; S215-M218 WeakPolarHBondContact O-CA 3.08Å; S215-M218 WeakPolarHBondContact O-CB 3.37Å; S215-M218 PolarHBondContact O-N 2.79Å; M218-K220 VanDerWaalsContact C-N 3.29Å; M218-K220 PolarHBondContact O-N 3.49Å; M218-C221 WeakPolarHBondContact O-CB 3.38Å; M218-C221 PolarHBondContact O-N 3.05Å; M218-S222 PolarHBondContact O-N 2.77Å; M218-L354 HydrophobicContact CE-CD2 3.94Å; M218-L354 HydrophobicContact SD-CD2 3.85Å; M218-E357 HydrophobicContact CG-CG 4.09Å; M218-E357 HydrophobicContact SD-CB 4.3Å; M218-E357 HydrophobicContact SD-CG 3.93Å
219	D	78.4	Confident	71.6	Confident	73 Å²	73	78.2 Å²	78.2	39%	0.39	42%	0.418	S	S	.	.	H	α-helix	trans	-64.9	-34.2	171	-80.4	-72.2	0	0	0	111.9	S215 K223	S215-D219 VanDerWaalsContact CB-OD2 3.27Å; S215-D219 WeakPolarHBondContact CB-OD2 3.42Å; S215-D219 PolarHBondContact O-N 3.04Å; S215-D219 PolarHBondContact OG-OD2 3.44Å; D219-K223 WeakPolarHBondContact O-CD 3.48Å; D219-K223 WeakPolarHBondContact O-CE 3.27Å; D219-K223 VanDerWaalsContact O-CG 3.29Å; D219-K223 WeakPolarHBondContact O-CG 3.42Å; D219-K223 PolarHBondContact O-N 2.83Å
220	K	81.4	Confident	73.9	Confident	86 Å²	86	78.5 Å²	78.5	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-66.9	-48.5	167.5	-177.8	-166.6	167.3	-146.3	0	111	D216 M218 S222 K223 D224 S349	D216-K220 WeakPolarHBondContact O-CB 3.33Å; D216-K220 PolarHBondContact O-N 3.47Å; M218-K220 VanDerWaalsContact C-N 3.29Å; M218-K220 PolarHBondContact O-N 3.49Å; K220-S222 PolarHBondContact O-N 2.83Å; K220-K223 PolarHBondContact O-N 3.05Å; K220-D224 IonicContact NZ-OD2 2.69Å; K220-D224 PolarHBondContact O-N 3.17Å; K220-S349 PolarHBondContact NZ-OG 2.71Å
221	C	82.4	Confident	76.1	Confident	2 Å²	2	78.4 Å²	78.4	1%	0.014	41%	0.408	C	S	.	.	H	α-helix	trans	-55.8	-39.1	178.1	-176.7	0	0	0	0	112.6	D217 M218 L225 L354	D217-C221 VanDerWaalsContact O-CB 3.23Å; D217-C221 WeakPolarHBondContact O-CB 3.47Å; D217-C221 PolarHBondContact O-N 2.66Å; M218-C221 WeakPolarHBondContact O-CB 3.38Å; M218-C221 PolarHBondContact O-N 3.05Å; C221-L225 WeakPolarHBondContact O-CB 3.38Å; C221-L225 WeakPolarHBondContact O-CG 3.34Å; C221-L225 PolarHBondContact O-N 3.46Å; C221-L354 VanDerWaalsContact SG-CG 3.57Å
222	S	82.9	Confident	77.8	Confident	70 Å²	70	75.5 Å²	75.5	49%	0.49	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-44.7	175	-169.6	0	0	0	0	111.9	M218 K220 L225 T226	M218-S222 PolarHBondContact O-N 2.77Å; K220-S222 PolarHBondContact O-N 2.83Å; S222-L225 WeakPolarHBondContact O-CB 3.49Å; S222-L225 PolarHBondContact O-N 3.01Å; S222-T226 PolarHBondContact O-N 2.74Å; S222-T226 PolarHBondContact O-OG1 3.18Å; S222-T226 VanDerWaalsContact O-OG1 3.07Å
223	K	86.6	Confident	79.7	Confident	129 Å²	129	76.3 Å²	76.3	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-67.3	-45	176.8	-66.1	157.8	-166.5	152.7	0	112.2	D219 K220 L225 T226 V227	D219-K223 WeakPolarHBondContact O-CD 3.48Å; D219-K223 WeakPolarHBondContact O-CE 3.27Å; D219-K223 VanDerWaalsContact O-CG 3.29Å; D219-K223 WeakPolarHBondContact O-CG 3.42Å; D219-K223 PolarHBondContact O-N 2.83Å; K220-K223 PolarHBondContact O-N 3.05Å; K223-L225 PolarHBondContact O-N 3.46Å; K223-T226 WeakPolarHBondContact O-CB 3.27Å; K223-T226 PolarHBondContact O-N 3.33Å; K223-T226 VanDerWaalsContact O-N 3.13Å; K223-V227 WeakPolarHBondContact O-CG2 3.44Å; K223-V227 PolarHBondContact O-N 3.44Å
224	D	87.6	Confident	81.7	Confident	31 Å²	31	73.1 Å²	73.1	17%	0.166	39%	0.389	C	S	.	.	H	α-helix	trans	-59.6	-36.1	175.7	-75.1	11	0	0	0	110.5	K220 V227 C228 T346 S349 V350	K220-D224 IonicContact NZ-OD2 2.69Å; K220-D224 PolarHBondContact O-N 3.17Å; D224-V227 PolarHBondContact O-N 3.06Å; D224-C228 PolarHBondContact O-N 2.86Å; D224-C228 PolarHBondContact O-SG 3.04Å; D224-T346 HydrophobicContact CB-CG2 3.81Å; D224-T346 VanDerWaalsContact O-CG2 3.27Å; D224-T346 WeakPolarHBondContact O-CG2 3.37Å; D224-S349 PolarHBondContact OD2-OG 2.92Å; D224-V350 HydrophobicContact CB-CG2 3.46Å; D224-V350 VanDerWaalsContact CB-CG2 3.46Å
225	L	87.4	Confident	83.4	Confident	85 Å²	85	71.5 Å²	71.5	45%	0.445	38%	0.376	S	S	.	.	H	α-helix	trans	-66.4	-43.3	171.9	-80.9	167.3	0	0	0	113.1	C221 S222 K223 V227 C228 E229 V350	C221-L225 WeakPolarHBondContact O-CB 3.38Å; C221-L225 WeakPolarHBondContact O-CG 3.34Å; C221-L225 PolarHBondContact O-N 3.46Å; S222-L225 WeakPolarHBondContact O-CB 3.49Å; S222-L225 PolarHBondContact O-N 3.01Å; K223-L225 PolarHBondContact O-N 3.46Å; L225-V227 VanDerWaalsContact C-N 3.25Å; L225-V227 PolarHBondContact O-N 3.33Å; L225-C228 WeakPolarHBondContact O-CB 3.32Å; L225-C228 PolarHBondContact O-N 3.33Å; L225-C228 VanDerWaalsContact O-N 3.08Å; L225-E229 PolarHBondContact O-N 3.26Å; L225-V350 HydrophobicContact CD1-CG1 4.35Å; L225-V350 HydrophobicContact CD2-CG1 3.85Å; L225-V350 HydrophobicContact CD2-CG2 4.34Å; L225-V350 HydrophobicContact CG-CG1 3.91Å; L225-V350 HydrophobicContact CG-CG2 4.01Å
226	T	90.4	Very high	84.9	Confident	86 Å²	86	74 Å²	74	53%	0.528	39%	0.387	S	S	.	.	H	α-helix	trans	-60.2	-36.8	173.6	-45.5	0	0	0	0	111.7	S222 K223 E229 A230	S222-T226 PolarHBondContact O-N 2.74Å; S222-T226 PolarHBondContact O-OG1 3.18Å; S222-T226 VanDerWaalsContact O-OG1 3.07Å; K223-T226 WeakPolarHBondContact O-CB 3.27Å; K223-T226 PolarHBondContact O-N 3.33Å; K223-T226 VanDerWaalsContact O-N 3.13Å; T226-E229 PolarHBondContact O-N 3.33Å; T226-A230 PolarHBondContact O-N 3.15Å; T226-A230 VanDerWaalsContact O-N 3.14Å
227	V	90.4	Very high	86	Confident	60 Å²	60	73.5 Å²	73.5	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-67.2	-36	174	171.5	0	0	0	0	111.7	K223 D224 L225 A230 Y231 T346	K223-V227 WeakPolarHBondContact O-CG2 3.44Å; K223-V227 PolarHBondContact O-N 3.44Å; D224-V227 PolarHBondContact O-N 3.06Å; L225-V227 VanDerWaalsContact C-N 3.25Å; L225-V227 PolarHBondContact O-N 3.33Å; V227-A230 PolarHBondContact O-N 2.68Å; V227-Y231 HydrophobicContact CG1-CD2 3.99Å; V227-Y231 HydrophobicContact CG1-CE2 3.47Å; V227-Y231 VanDerWaalsContact CG1-CE2 3.47Å; V227-Y231 WeakPolarHBondContact O-CD2 3.41Å; V227-Y231 PolarHBondContact O-N 3.36Å; V227-Y231 VanDerWaalsContact O-N 3.07Å; V227-T346 HydrophobicContact CG1-CG2 4.37Å
228	C	90.3	Very high	86.9	Confident	6 Å²	6	70 Å²	70	4%	0.041	36%	0.362	C	S	.	.	H	α-helix	trans	-65.1	-37.6	173.4	-66.8	0	0	0	0	112.4	D224 L225 Y231 L232 L343 T346 M347	D224-C228 PolarHBondContact O-N 2.86Å; D224-C228 PolarHBondContact O-SG 3.04Å; L225-C228 WeakPolarHBondContact O-CB 3.32Å; L225-C228 PolarHBondContact O-N 3.33Å; L225-C228 VanDerWaalsContact O-N 3.08Å; C228-Y231 PolarHBondContact O-N 3.24Å; C228-L232 WeakPolarHBondContact O-CG 3.29Å; C228-L232 PolarHBondContact O-N 2.95Å; C228-L343 HydrophobicContact CB-CD1 3.59Å; C228-L343 WeakPolarHBondContact O-CD1 3.49Å; C228-T346 WeakPolarHBondContact SG-CG2 3.24Å; C228-M347 HydrophobicContact CB-CG 4.22Å; C228-M347 VanDerWaalsContact SG-CG 3.53Å
229	E	88.3	Confident	87.2	Confident	113 Å²	113	70 Å²	70	53%	0.528	36%	0.362	S	S	.	.	H	α-helix	trans	-63	-45.1	174.4	-167.9	-176.3	165	0	0	111.5	L225 T226 Y231 L232 Q233	L225-E229 PolarHBondContact O-N 3.26Å; T226-E229 PolarHBondContact O-N 3.33Å; E229-Y231 PolarHBondContact O-N 3.1Å; E229-L232 WeakPolarHBondContact O-CB 3.48Å; E229-L232 PolarHBondContact O-N 2.82Å; E229-L232 VanDerWaalsContact O-N 3.16Å; E229-Q233 WeakPolarHBondContact O-CG 3.45Å; E229-Q233 PolarHBondContact O-N 3.17Å; E229-Q233 PolarHBondContact OE1-NE2 2.81Å
230	A	90.9	Very high	87.3	Confident	52 Å²	52	71.3 Å²	71.3	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-59	-45	175.9	0	0	0	0	0	112.3	T226 V227 L232 Q233 E234	T226-A230 PolarHBondContact O-N 3.15Å; T226-A230 VanDerWaalsContact O-N 3.14Å; V227-A230 PolarHBondContact O-N 2.68Å; A230-L232 VanDerWaalsContact C-N 3.34Å; A230-L232 PolarHBondContact O-N 3Å; A230-Q233 PolarHBondContact O-N 2.71Å; A230-E234 PolarHBondContact O-N 3.47Å
231	Y	92.8	Very high	87.3	Confident	58 Å²	58	69 Å²	69	23%	0.227	36%	0.361	C	S	.	.	H	α-helix	trans	-64.6	-33.9	175.4	-67.4	-34.7	0	0	0	113.1	V227 C228 E229 E234 L235 V339 N342 L343	V227-Y231 HydrophobicContact CG1-CD2 3.99Å; V227-Y231 HydrophobicContact CG1-CE2 3.47Å; V227-Y231 VanDerWaalsContact CG1-CE2 3.47Å; V227-Y231 WeakPolarHBondContact O-CD2 3.41Å; V227-Y231 PolarHBondContact O-N 3.36Å; V227-Y231 VanDerWaalsContact O-N 3.07Å; C228-Y231 PolarHBondContact O-N 3.24Å; E229-Y231 PolarHBondContact O-N 3.1Å; Y231-E234 PolarHBondContact O-N 3.06Å; Y231-L235 WeakPolarHBondContact O-CB 3.38Å; Y231-L235 WeakPolarHBondContact O-CD1 3.5Å; Y231-L235 WeakPolarHBondContact O-CG 3.35Å; Y231-L235 PolarHBondContact O-N 2.87Å; Y231-V339 HydrophobicContact CD1-CG1 3.84Å; Y231-V339 HydrophobicContact CG-CG1 4.09Å; Y231-N342 HydrophobicContact CD2-CB 4.24Å; Y231-N342 HydrophobicContact CE1-CB 4.42Å; Y231-N342 HydrophobicContact CE2-CB 3.71Å; Y231-L343 HydrophobicContact CD2-CB 4.29Å
232	L	87.9	Confident	87	Confident	95 Å²	95	71 Å²	71	50%	0.497	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-37.7	174	-77.6	166.3	0	0	0	112.2	C228 E229 A230 N236 L343	C228-L232 WeakPolarHBondContact O-CG 3.29Å; C228-L232 PolarHBondContact O-N 2.95Å; E229-L232 WeakPolarHBondContact O-CB 3.48Å; E229-L232 PolarHBondContact O-N 2.82Å; E229-L232 VanDerWaalsContact O-N 3.16Å; A230-L232 VanDerWaalsContact C-N 3.34Å; A230-L232 PolarHBondContact O-N 3Å; L232-N236 PolarHBondContact O-N 2.97Å; L232-L343 HydrophobicContact CD2-CD2 3.57Å; L232-L343 HydrophobicContact CG-CD1 4.19Å; L232-L343 HydrophobicContact CG-CD2 3.84Å
233	Q	89	Confident	86.5	Confident	120 Å²	120	72.2 Å²	72.2	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-67.6	-42.3	174.1	-65.1	176.8	16	0	0	111.5	E229 A230 N236 H237	E229-Q233 WeakPolarHBondContact O-CG 3.45Å; E229-Q233 PolarHBondContact O-N 3.17Å; E229-Q233 PolarHBondContact OE1-NE2 2.81Å; A230-Q233 PolarHBondContact O-N 2.71Å; Q233-N236 PolarHBondContact O-N 3.01Å; Q233-H237 PolarHBondContact O-N 2.61Å; Q233-H237 VanDerWaalsContact O-N 3.08Å
234	E	91.6	Very high	85.8	Confident	89 Å²	89	70.7 Å²	70.7	42%	0.416	37%	0.37	S	S	.	.	H	α-helix	trans	-62.1	-45.3	175.7	-173.2	177.7	-167.9	0	0	112.1	A230 Y231 N236 H237 L238 V339	A230-E234 PolarHBondContact O-N 3.47Å; Y231-E234 PolarHBondContact O-N 3.06Å; E234-N236 VanDerWaalsContact C-N 3.33Å; E234-N236 PolarHBondContact O-N 3.04Å; E234-H237 PolarHBondContact O-N 3.49Å; E234-L238 HydrophobicContact CG-CD1 4.22Å; E234-L238 WeakPolarHBondContact O-CG 3.35Å; E234-L238 PolarHBondContact O-N 2.69Å; E234-V339 HydrophobicContact CB-CG1 4.2Å; E234-V339 VanDerWaalsContact CD-CG2 3.48Å; E234-V339 HydrophobicContact CG-CG1 4.19Å; E234-V339 HydrophobicContact CG-CG2 4.14Å; E234-V339 WeakPolarHBondContact OE2-CG1 3.3Å
235	L	90.1	Very high	84.6	Confident	14 Å²	14	71.6 Å²	71.6	7%	0.073	37%	0.374	C	S	.	.	H	α-helix	trans	-60.2	-40	175.6	-73	166	0	0	0	112.7	Y231 L238 I239 F336 V339 A340 L343	Y231-L235 WeakPolarHBondContact O-CB 3.38Å; Y231-L235 WeakPolarHBondContact O-CD1 3.5Å; Y231-L235 WeakPolarHBondContact O-CG 3.35Å; Y231-L235 PolarHBondContact O-N 2.87Å; L235-L238 PolarHBondContact O-N 2.88Å; L235-I239 VanDerWaalsContact O-CG1 3.32Å; L235-I239 WeakPolarHBondContact O-CG1 3.41Å; L235-I239 PolarHBondContact O-N 3.16Å; L235-F336 HydrophobicContact CB-CD2 4.45Å; L235-F336 HydrophobicContact CB-CE2 4Å; L235-F336 HydrophobicContact CD2-CD1 4.5Å; L235-F336 HydrophobicContact CD2-CD2 3.41Å; L235-F336 VanDerWaalsContact CD2-CD2 3.41Å; L235-F336 HydrophobicContact CD2-CE2 3.41Å; L235-F336 VanDerWaalsContact CD2-CE2 3.41Å; L235-F336 HydrophobicContact CD2-CG 3.99Å; L235-F336 HydrophobicContact CD2-CZ 3.99Å; L235-F336 WeakPolarHBondContact CD2-O 3.24Å; L235-F336 HydrophobicContact CG-CE2 4.29Å; L235-V339 HydrophobicContact CD1-CG1 4.3Å; L235-V339 HydrophobicContact CD2-CB 3.88Å; L235-V339 HydrophobicContact CD2-CG1 3.94Å; L235-V339 HydrophobicContact CG-CB 4.22Å; L235-V339 HydrophobicContact CG-CG1 3.7Å; L235-A340 HydrophobicContact CD1-CB 4.38Å; L235-A340 HydrophobicContact CD2-CB 3.96Å; L235-L343 HydrophobicContact CD1-CD2 3.67Å
236	N	87.3	Confident	83.2	Confident	88 Å²	88	73.1 Å²	73.1	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-42.3	175.8	-171.7	11.3	0	0	0	111.2	L232 Q233 E234 I239 Q240	L232-N236 PolarHBondContact O-N 2.97Å; Q233-N236 PolarHBondContact O-N 3.01Å; E234-N236 VanDerWaalsContact C-N 3.33Å; E234-N236 PolarHBondContact O-N 3.04Å; N236-I239 PolarHBondContact O-N 3.1Å; N236-Q240 VanDerWaalsContact O-CG 3.29Å; N236-Q240 WeakPolarHBondContact O-CG 3.36Å; N236-Q240 PolarHBondContact O-N 3.14Å; N236-Q240 PolarHBondContact OD1-NE2 2.71Å
237	H	85.7	Confident	81.4	Confident	121 Å²	121	77.2 Å²	77.2	56%	0.56	39%	0.385	S	S	*	.	H	α-helix	trans	-67	-37.8	177.1	-168.9	58.6	0	0	0	112.9	Q233 E234 Q240 S241	Q233-H237 PolarHBondContact O-N 2.61Å; Q233-H237 VanDerWaalsContact O-N 3.08Å; E234-H237 PolarHBondContact O-N 3.49Å; H237-Q240 PolarHBondContact O-N 3.3Å; H237-S241 WeakPolarHBondContact O-CB 3.26Å; H237-S241 PolarHBondContact O-N 3.47Å; H237-S241 PolarHBondContact O-OG 2.71Å
238	L	87.3	Confident	79.7	Confident	19 Å²	19	79 Å²	79	10%	0.099	40%	0.396	C	S	.	.	H	α-helix	trans	-64.5	-42.5	173.8	-71.7	168.2	0	0	0	112	E234 L235 S241 M242 L332 D335 F336 V339	E234-L238 HydrophobicContact CG-CD1 4.22Å; E234-L238 WeakPolarHBondContact O-CG 3.35Å; E234-L238 PolarHBondContact O-N 2.69Å; L235-L238 PolarHBondContact O-N 2.88Å; L238-S241 PolarHBondContact O-N 2.77Å; L238-M242 WeakPolarHBondContact O-CG 3.48Å; L238-M242 PolarHBondContact O-N 2.93Å; L238-L332 HydrophobicContact CD2-CD2 3.64Å; L238-D335 HydrophobicContact CD1-CB 4.37Å; L238-D335 HydrophobicContact CD2-CB 4.22Å; L238-F336 HydrophobicContact CB-CD2 4.13Å; L238-F336 HydrophobicContact CD1-CB 4.38Å; L238-V339 HydrophobicContact CD1-CG2 4.19Å
239	I	83.6	Confident	77.9	Confident	73 Å²	73	85.1 Å²	85.1	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-58.8	-49.2	173.6	-71.9	164	0	0	0	110.9	L235 N236 S241 M242 E243 F336	L235-I239 VanDerWaalsContact O-CG1 3.32Å; L235-I239 WeakPolarHBondContact O-CG1 3.41Å; L235-I239 PolarHBondContact O-N 3.16Å; N236-I239 PolarHBondContact O-N 3.1Å; I239-S241 VanDerWaalsContact C-N 3.3Å; I239-S241 PolarHBondContact O-N 3.08Å; I239-M242 PolarHBondContact O-N 2.91Å; I239-E243 PolarHBondContact O-N 2.89Å; I239-F336 HydrophobicContact CD1-CE2 3.64Å; I239-F336 HydrophobicContact CD1-CZ 4.12Å; I239-F336 HydrophobicContact CG1-CD2 4.11Å; I239-F336 HydrophobicContact CG1-CE2 3.52Å; I239-F336 HydrophobicContact CG1-CZ 4.24Å
240	Q	80.5	Confident	75.7	Confident	101 Å²	101	84.4 Å²	84.4	47%	0.472	43%	0.426	S	S	.	.	H	α-helix	trans	-60.5	-40.3	179.2	-69	169.1	29.6	0	0	111.8	N236 H237 E243 V244	N236-Q240 VanDerWaalsContact O-CG 3.29Å; N236-Q240 WeakPolarHBondContact O-CG 3.36Å; N236-Q240 PolarHBondContact O-N 3.14Å; N236-Q240 PolarHBondContact OD1-NE2 2.71Å; H237-Q240 PolarHBondContact O-N 3.3Å; Q240-E243 PolarHBondContact O-N 2.99Å; Q240-V244 WeakPolarHBondContact O-CG2 3.38Å; Q240-V244 PolarHBondContact O-N 3.45Å; Q240-V244 VanDerWaalsContact O-N 3.08Å
241	S	79.7	Confident	73	Confident	38 Å²	38	85.4 Å²	85.4	27%	0.266	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-42.6	176.8	-58.5	0	0	0	0	112.2	H237 L238 I239 V244 L245	H237-S241 WeakPolarHBondContact O-CB 3.26Å; H237-S241 PolarHBondContact O-N 3.47Å; H237-S241 PolarHBondContact O-OG 2.71Å; L238-S241 PolarHBondContact O-N 2.77Å; I239-S241 VanDerWaalsContact C-N 3.3Å; I239-S241 PolarHBondContact O-N 3.08Å; S241-V244 PolarHBondContact O-N 2.7Å; S241-L245 PolarHBondContact O-N 3.27Å
242	M	76.9	Confident	70.3	Confident	44 Å²	44	88.4 Å²	88.4	22%	0.217	46%	0.461	C	S	.	.	H	α-helix	trans	-65.6	-37.5	174.2	-72.5	175.9	55.2	0	0	112.6	L238 I239 L245 H246 L332 Q333	L238-M242 WeakPolarHBondContact O-CG 3.48Å; L238-M242 PolarHBondContact O-N 2.93Å; I239-M242 PolarHBondContact O-N 2.91Å; M242-L245 PolarHBondContact O-N 2.94Å; M242-H246 PolarHBondContact O-N 3.06Å; M242-L332 HydrophobicContact CG-CB 3.9Å; M242-L332 HydrophobicContact CG-CD1 4.34Å; M242-L332 HydrophobicContact SD-CB 4.36Å; M242-Q333 HydrophobicContact CE-CG 3.53Å; M242-Q333 HydrophobicContact SD-CG 4.1Å
243	E	73.4	Confident	67.8	Low	95 Å²	95	88.8 Å²	88.8	44%	0.444	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-41.2	174.9	-84.5	-159.3	-151.9	0	0	112.8	I239 Q240 L245 H246 R247	I239-E243 PolarHBondContact O-N 2.89Å; Q240-E243 PolarHBondContact O-N 2.99Å; E243-L245 VanDerWaalsContact C-N 3.34Å; E243-L245 PolarHBondContact O-N 3.08Å; E243-H246 PolarHBondContact O-N 3.4Å; E243-R247 VanDerWaalsContact O-CG 3.32Å; E243-R247 WeakPolarHBondContact O-CG 3.45Å; E243-R247 PolarHBondContact O-N 3.25Å; E243-R247 VanDerWaalsContact O-N 3.08Å; E243-R247 IonicContact OE2-CZ 2.72Å; E243-R247 IonicContact OE2-NE 2.77Å; E243-R247 IonicContact OE2-NH2 3.95Å; E243-R247 PolarHBondContact OE2-NH2 3.23Å
244	V	71.5	Confident	65.4	Low	96 Å²	96	91.4 Å²	91.4	58%	0.582	49%	0.488	S	S	*	.	H	α-helix	trans	-60.6	-45.1	177	170.3	0	0	0	0	110.7	Q240 S241 R247 T248	Q240-V244 WeakPolarHBondContact O-CG2 3.38Å; Q240-V244 PolarHBondContact O-N 3.45Å; Q240-V244 VanDerWaalsContact O-N 3.08Å; S241-V244 PolarHBondContact O-N 2.7Å; V244-R247 PolarHBondContact O-N 2.77Å; V244-T248 PolarHBondContact O-N 2.74Å; V244-T248 PolarHBondContact O-OG1 3.09Å
245	L	61.6	Low	62.7	Low	51 Å²	51	96.1 Å²	96.1	27%	0.267	51%	0.51	S	S	.	.	H	α-helix	trans	-64.2	-43	176.1	-72.7	165.6	0	0	0	112.5	S241 M242 E243 R247 T248 Y249 V329 L332	S241-L245 PolarHBondContact O-N 3.27Å; M242-L245 PolarHBondContact O-N 2.94Å; E243-L245 VanDerWaalsContact C-N 3.34Å; E243-L245 PolarHBondContact O-N 3.08Å; L245-R247 PolarHBondContact O-N 3.24Å; L245-T248 PolarHBondContact O-N 2.81Å; L245-T248 PolarHBondContact O-OG1 2.97Å; L245-Y249 VanDerWaalsContact O-CD2 3.27Å; L245-Y249 WeakPolarHBondContact O-CD2 3.33Å; L245-Y249 PolarHBondContact O-N 3.04Å; L245-Y249 VanDerWaalsContact O-N 3.08Å; L245-V329 HydrophobicContact CD1-CG2 4.25Å; L245-L332 HydrophobicContact CD1-CD1 3.39Å
246	H	57.4	Low	60.2	Low	116 Å²	116	99.7 Å²	99.7	54%	0.537	54%	0.542	S	S	.	.	H	α-helix	trans	-60.6	-29.7	175.4	-95.5	-156.3	0	0	0	113.2	M242 E243 S250	M242-H246 PolarHBondContact O-N 3.06Å; E243-H246 PolarHBondContact O-N 3.4Å; H246-S250 WeakPolarHBondContact O-CB 3.42Å; H246-S250 PolarHBondContact O-N 3.48Å; H246-S250 PolarHBondContact O-OG 2.92Å
247	R	53.7	Low	57.7	Low	173 Å²	173	103.9 Å²	103.9	65%	0.653	56%	0.563	S	S	*	*	H	α-helix	trans	-72.4	-41.6	175.5	-67.9	170.3	-162.2	-158.9	7.6	112	E243 V244 L245 S250	E243-R247 VanDerWaalsContact O-CG 3.32Å; E243-R247 WeakPolarHBondContact O-CG 3.45Å; E243-R247 PolarHBondContact O-N 3.25Å; E243-R247 VanDerWaalsContact O-N 3.08Å; E243-R247 IonicContact OE2-CZ 2.72Å; E243-R247 IonicContact OE2-NE 2.77Å; E243-R247 IonicContact OE2-NH2 3.95Å; E243-R247 PolarHBondContact OE2-NH2 3.23Å; V244-R247 PolarHBondContact O-N 2.77Å; L245-R247 PolarHBondContact O-N 3.24Å; R247-S250 PolarHBondContact O-N 2.97Å
248	T	55	Low	55.3	Low	97 Å²	97	106.7 Å²	106.7	60%	0.595	58%	0.577	S	S	*	*	H	α-helix	trans	-68.9	-37.6	176.9	37.8	0	0	0	0	113.3	V244 L245 S250	V244-T248 PolarHBondContact O-N 2.74Å; V244-T248 PolarHBondContact O-OG1 3.09Å; L245-T248 PolarHBondContact O-N 2.81Å; L245-T248 PolarHBondContact O-OG1 2.97Å; T248-S250 PolarHBondContact O-N 3.09Å
249	Y	51.5	Low	52.5	Low	134 Å²	134	112.5 Å²	112.5	53%	0.525	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.6	-11	174.9	-79.4	-69.6	0	0	0	114.7	L245 S325 V329	L245-Y249 VanDerWaalsContact O-CD2 3.27Å; L245-Y249 WeakPolarHBondContact O-CD2 3.33Å; L245-Y249 PolarHBondContact O-N 3.04Å; L245-Y249 VanDerWaalsContact O-N 3.08Å; Y249-S325 VanDerWaalsContact OH-CB 3.28Å; Y249-S325 WeakPolarHBondContact OH-CB 3.42Å; Y249-S325 PolarHBondContact OH-O 3.07Å; Y249-S325 VanDerWaalsContact OH-O 3.1Å; Y249-S325 PolarHBondContact OH-OG 2.79Å; Y249-V329 HydrophobicContact CE2-CG2 4.12Å
250	S	41.7	Very low	49.9	Very low	98 Å²	98	114.7 Å²	114.7	69%	0.685	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-1.6	-176.2	-64.8	0	0	0	0	114.6	H246 R247 T248	H246-S250 WeakPolarHBondContact O-CB 3.42Å; H246-S250 PolarHBondContact O-N 3.48Å; H246-S250 PolarHBondContact O-OG 2.92Å; R247-S250 PolarHBondContact O-N 2.97Å; T248-S250 PolarHBondContact O-N 3.09Å
251	A	34.2	Very low	47.5	Very low	74 Å²	74	116 Å²	116	61%	0.612	65%	0.65	S	S	*	*	S	Bend	trans	-79.8	133.7	178	0	0	0	0	0	112.1
252	P	36.3	Very low	45.1	Very low	120 Å²	120	121.2 Å²	121.2	78%	0.779	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-68.2	134.7	177.4	-18.9	31.9	0	0	0	112.8	I254	P252-I254 PolarHBondContact O-N 2.76Å
253	S	35.9	Very low	42.7	Very low	104 Å²	104	126.3 Å²	126.3	73%	0.727	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-73.7	123.9	172.6	55.4	0	0	0	0	111.5	Q255	S253-Q255 PolarHBondContact O-N 2.88Å
254	I	38.5	Very low	40.5	Very low	174 Å²	174	127.1 Å²	127.1	89%	0.892	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	67.7	-174.7	-49.1	177	0	0	0	110.5	P252	P252-I254 PolarHBondContact O-N 2.76Å
255	Q	35.3	Very low	38.8	Very low	188 Å²	188	127.7 Å²	127.7	88%	0.879	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.1	-15.7	174.4	-108.1	168.8	19.5	0	0	115	S253 L257	S253-Q255 PolarHBondContact O-N 2.88Å; Q255-L257 VanDerWaalsContact C-N 3.34Å; Q255-L257 PolarHBondContact O-N 2.82Å
256	A	37.3	Very low	37.2	Very low	90 Å²	90	134.2 Å²	134.2	74%	0.744	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	23.3	-170.1	0	0	0	0	0	116.3
257	L	35.4	Very low	35.8	Very low	175 Å²	175	138 Å²	138	92%	0.916	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.3	34.5	-175.9	-77.4	177.5	0	0	0	114.9	Q255	Q255-L257 VanDerWaalsContact C-N 3.34Å; Q255-L257 PolarHBondContact O-N 2.82Å
258	Q	34.8	Very low	34.5	Very low	181 Å²	181	138.9 Å²	138.9	85%	0.846	78%	0.777	S	S	*	*			trans	-139	89.2	165.5	-71.6	-168	-5.9	0	0	112.2
259	T	29.3	Very low	33.3	Very low	141 Å²	141	143.7 Å²	143.7	87%	0.865	79%	0.789	S	S	*	*			trans	-173	166.1	154.3	8.6	0	0	0	0	112.4
260	S	28	Very low	32.1	Very low	118 Å²	118	148.4 Å²	148.4	83%	0.825	81%	0.806	S	S	*	*			trans	63.2	60	166.9	61.7	0	0	0	0	119.2
261	T	29.1	Very low	31.4	Very low	129 Å²	129	150.9 Å²	150.9	79%	0.791	81%	0.811	S	S	*	*			trans	-82.7	115.8	138.2	48.7	0	0	0	0	109.6
262	L	30.7	Very low	31.1	Very low	148 Å²	148	154 Å²	154	78%	0.775	81%	0.813	S	S	*	*			trans	-178.5	162	135.2	-122.4	69.4	0	0	0	114.1
263	D	26.6	Very low	30.7	Very low	151 Å²	151	160.4 Å²	160.4	81%	0.807	82%	0.821	S	S	*	*			trans	68.5	138.4	154.6	-68.3	-19.4	0	0	0	124.1
264	S	27.4	Very low	30.2	Very low	112 Å²	112	162 Å²	162	78%	0.783	82%	0.815	S	S	*	*			trans	-156.9	146.2	166	66.1	0	0	0	0	109.7
265	P	36	Very low	29.6	Very low	107 Å²	107	163.6 Å²	163.6	70%	0.695	81%	0.81	S	S	*	*			trans	-148.5	126.4	147.8	28.9	-8.1	0	0	0	117.9
266	K	26.6	Very low	29.2	Very low	188 Å²	188	163.5 Å²	163.5	82%	0.817	80%	0.802	S	S	*	*				73.9	127.3	126.9	-62.7	167.5	-174.2	164.5	0	122.6
267	K	27.9	Very low	28.7	Very low	197 Å²	197	166.6 Å²	166.6	86%	0.857	81%	0.806	S	S	*	*			trans	73.3	148.4	149.5	-68.2	179.4	177.2	-177.8	0	116.9
268	E	26.3	Very low	28.3	Very low	191 Å²	191	168 Å²	168	89%	0.893	81%	0.805	S	S	*	*			cis	-134.3	-167.9	32.4	-94.5	-154.1	132.8	0	0	116.9
269	K	30.4	Very low	28	Very low	197 Å²	197	165.7 Å²	165.7	86%	0.857	80%	0.798	S	S	*	*			trans	-126.8	143.1	-174.8	-65.2	177.1	176.1	178.1	0	113
270	R	26.9	Very low	27.8	Very low	234 Å²	234	166.5 Å²	166.5	88%	0.883	80%	0.797	S	S	*	*			trans	166.5	149.3	144.4	-96.6	179.6	160.4	165.6	-4.1	108.4
271	L	26.5	Very low	27.8	Very low	150 Å²	150	164.8 Å²	164.8	79%	0.785	79%	0.785	S	S	*	*			cis	-154	169.3	-9.3	-130.5	167.3	0	0	0	109.4
272	Q	27.5	Very low	27.8	Very low	140 Å²	140	168.4 Å²	168.4	65%	0.654	79%	0.79	S	S	*	*			trans	-92.7	156.2	-177.2	-66	-175.3	-9.3	0	0	114.1	K274	Q272-K274 VanDerWaalsContact OE1-CE 3.29Å
273	R	27.4	Very low	27.9	Very low	254 Å²	254	168.5 Å²	168.5	96%	0.958	79%	0.791	S	S	*	*			trans	-130.8	135.2	137.5	-77.6	-171.5	171.4	163.5	-1.9	110.4
274	K	27	Very low	28.1	Very low	136 Å²	136	168.2 Å²	168.2	59%	0.591	79%	0.794	S	S	*	*			trans	-89.2	171.1	171.2	-73.7	173.8	178.1	168.1	0	108.3	Q272	Q272-K274 VanDerWaalsContact OE1-CE 3.29Å
275	W	25.7	Very low	28.4	Very low	209 Å²	209	171.3 Å²	171.3	79%	0.792	79%	0.794	S	S	*	*			cis	-155.8	125.7	49.2	-83.1	78.7	0	0	0	109.7
276	R	25.6	Very low	28.1	Very low	185 Å²	185	173.1 Å²	173.1	70%	0.698	80%	0.803	S	S	*	*				79.6	116.5	91.7	-81.6	-148.1	-171.5	-98	10.1	115.4
277	N	27.1	Very low	28.2	Very low	155 Å²	155	169.6 Å²	169.6	83%	0.829	80%	0.797	S	S	*	*			trans	-73.4	169.3	150.9	-66.5	-1	0	0	0	110.7
278	K	27.1	Very low	28.3	Very low	206 Å²	206	167.5 Å²	167.5	90%	0.896	80%	0.795	S	S	*	*			trans	-111.3	145.7	168.6	-165.4	178.7	179.2	-171.6	0	109.4
279	N	28.4	Very low	28.3	Very low	132 Å²	132	166.1 Å²	166.1	71%	0.706	79%	0.788	S	S	*	*			trans	-78.4	166.8	-175	-44.5	-3.1	0	0	0	111.9
280	D	26.5	Very low	28.3	Very low	157 Å²	157	162.3 Å²	162.3	84%	0.84	78%	0.781	S	S	*	*				-148.4	-172.7	101.6	-136.7	-37.5	0	0	0	112.4
281	S	26.6	Very low	28.5	Very low	82 Å²	82	157 Å²	157	57%	0.573	78%	0.777	S	S	*	*			trans	-140.4	150.5	-143.1	-31.1	0	0	0	0	113.7
282	K	30.3	Very low	28.8	Very low	206 Å²	206	154.9 Å²	154.9	90%	0.896	78%	0.775	S	S	*	*			trans	-173.7	152.2	135.4	-107.4	165.8	-174.6	178.4	0	114.1
283	D	32.8	Very low	28.7	Very low	149 Å²	149	153.7 Å²	153.7	80%	0.797	78%	0.781	S	S	*	*			trans	-85.8	163.7	-178.8	-46.5	-104.5	0	0	0	113.4
284	V	30.9	Very low	28.6	Very low	146 Å²	146	148 Å²	148	89%	0.885	77%	0.774	S	S	*	*				-163.9	161.5	109.7	141.8	0	0	0	0	109.8
285	K	32.2	Very low	28.6	Very low	177 Å²	177	146.9 Å²	146.9	77%	0.77	78%	0.784	S	S	*	*			trans	-128.5	132.7	-160.4	170.7	-165.9	-179.1	-174.1	0	111
286	T	30.3	Very low	28.8	Very low	145 Å²	145	142.6 Å²	142.6	89%	0.89	79%	0.785	S	S	*	*			trans	-146	146.2	155.6	3.1	0	0	0	0	111.3
287	T	29.7	Very low	28.9	Very low	114 Å²	114	137.7 Å²	137.7	70%	0.699	79%	0.793	S	S	*	*			trans	-122.1	153	179.7	-54.8	0	0	0	0	107.7
288	L	28.9	Very low	29	Very low	153 Å²	153	135.7 Å²	135.7	80%	0.801	79%	0.791	S	S	*	*			trans	160.2	158.3	148.1	-86.6	161.3	0	0	0	108.2
289	Q	27.5	Very low	29.1	Very low	161 Å²	161	134.3 Å²	134.3	75%	0.752	79%	0.791	S	S	*	*				-166.6	141.6	-50.1	169.8	168.3	-6.9	0	0	106.3
290	V	29.7	Very low	29.1	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.715	79%	0.792	S	S	*	*			trans	-88	144	-179.3	-178.9	0	0	0	0	111.2
291	P	31.7	Very low	29.2	Very low	122 Å²	122	138 Å²	138	79%	0.792	80%	0.796	S	S	*	*			trans	-117.5	144.3	149.3	33.3	-22	0	0	0	112.3
292	S	31.3	Very low	29.2	Very low	106 Å²	106	140.7 Å²	140.7	74%	0.741	80%	0.799	S	S	*	*			trans	-133.9	133.9	179.2	-51.5	0	0	0	0	111.1
293	C	25.6	Very low	29.1	Very low	114 Å²	114	134.9 Å²	134.9	77%	0.77	79%	0.79	S	S	*	*			trans	-156.4	115.1	170.3	40.6	0	0	0	0	108.2
294	T	26.3	Very low	28.9	Very low	134 Å²	134	133 Å²	133	82%	0.822	79%	0.788	S	S	*	*				97.3	142.6	50.6	53.8	0	0	0	0	113
295	S	27.1	Very low	29.3	Very low	114 Å²	114	134.1 Å²	134.1	80%	0.797	79%	0.789	S	S	*	*			trans	93.9	144.4	169.6	-158.3	0	0	0	0	116.2
296	S	29.7	Very low	29.8	Very low	118 Å²	118	130.3 Å²	130.3	83%	0.825	78%	0.782	S	S	*	*			cis	-167.3	152	-28.6	-82.8	0	0	0	0	108.1
297	G	26.9	Very low	29.7	Very low	83 Å²	83	131 Å²	131	86%	0.856	78%	0.78	S	S	*	*			trans	158.4	111.2	167.8	0	0	0	0	0	113.7
298	S	28.6	Very low	29.8	Very low	112 Å²	112	133 Å²	133	78%	0.783	79%	0.786	S	S	*	*			trans	-131.1	141.4	177.2	175.7	0	0	0	0	109.8
299	I	29.3	Very low	29.7	Very low	177 Å²	177	130.9 Å²	130.9	91%	0.908	78%	0.784	S	S	*	*			trans	-149.4	143.9	150.8	-99.9	146.9	0	0	0	107.7
300	R	29.6	Very low	29.7	Very low	192 Å²	192	129.7 Å²	129.7	73%	0.725	79%	0.788	S	S	*	*			trans	-146.7	124.4	-173.2	174.6	-157.3	-165.6	-162.1	9.9	108.2	H302	R300-H302 VanDerWaalsContact CZ-NE2 3.35Å; R300-H302 PolarHBondContact NE-NE2 2.72Å; R300-H302 PolarHBondContact NH2-NE2 2.95Å
301	L	27.8	Very low	29.8	Very low	174 Å²	174	128 Å²	128	91%	0.911	79%	0.787	S	S	*	*			trans	-136.9	145.9	161	-79	-178.3	0	0	0	112.5
302	H	27.4	Very low	29.6	Very low	140 Å²	140	128 Å²	128	65%	0.648	79%	0.785	S	S	*	*			trans	-94.7	176.8	171.8	-67.7	-88.3	0	0	0	108.3	R300	R300-H302 VanDerWaalsContact CZ-NE2 3.35Å; R300-H302 PolarHBondContact NE-NE2 2.72Å; R300-H302 PolarHBondContact NH2-NE2 2.95Å
303	A	27.5	Very low	29.7	Very low	84 Å²	84	131.4 Å²	131.4	69%	0.694	79%	0.794	S	S	*	*			cis	179.3	173.8	-28.4	0	0	0	0	0	105.5
304	S	29.8	Very low	29.7	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	80%	0.795	S	S	*	*			trans	176.4	141.9	137.6	38.1	0	0	0	0	113.9
305	N	37.5	Very low	29.9	Very low	170 Å²	170	128.4 Å²	128.4	91%	0.909	79%	0.791	S	S	*	*			trans	-117.9	129.8	152.9	-97.3	-13.4	0	0	0	107.2
306	P	42.9	Very low	29.9	Very low	98 Å²	98	128.3 Å²	128.3	64%	0.636	78%	0.782	S	S	*	*			trans	-124.3	160.4	150.5	10	12.6	0	0	0	110.5
307	N	28.6	Very low	29.9	Very low	158 Å²	158	131.2 Å²	131.2	85%	0.845	78%	0.78	S	S	*	*			cis	-157.7	170.8	-0.7	-112	-17.9	0	0	0	110.3
308	L	31.9	Very low	30.5	Very low	157 Å²	157	133.1 Å²	133.1	82%	0.822	78%	0.775	S	S	*	*			trans	-90.5	161.2	170.4	-66.2	117.4	0	0	0	112.5
309	S	27.9	Very low	30.5	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	78%	0.778	S	S	*	*				171.6	121.9	112.3	-74.4	0	0	0	0	116.1
310	T	27.3	Very low	31.1	Very low	135 Å²	135	132.1 Å²	132.1	83%	0.828	77%	0.771	S	S	*	*				38.7	122.5	124.4	-35.4	0	0	0	0	121.9
311	A	30.7	Very low	31.4	Very low	84 Å²	84	131.2 Å²	131.2	69%	0.694	78%	0.775	S	S	*	*				170.8	124.2	109.9	0	0	0	0	0	117.4
312	T	28.9	Very low	31.9	Very low	121 Å²	121	128.5 Å²	128.5	74%	0.742	77%	0.77	S	S	*	*			trans	49	113.5	141.1	57.6	0	0	0	0	124.8
313	L	32.1	Very low	32.5	Very low	178 Å²	178	128.3 Å²	128.3	93%	0.932	77%	0.773	S	S	*	*				66.6	116.3	125.3	-71.1	163.6	0	0	0	122.5
314	G	26	Very low	33.4	Very low	78 Å²	78	128.8 Å²	128.8	80%	0.804	76%	0.764	S	S	*	*			trans	-156.5	142	151.7	0	0	0	0	0	109.5
315	S	29.9	Very low	34.6	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	75%	0.75	S	S	*	*			trans	-102.5	129.2	-177.4	-177.9	0	0	0	0	111.3
316	D	28.1	Very low	35.2	Very low	112 Å²	112	126.3 Å²	126.3	60%	0.599	74%	0.743	S	S	*	*				-174.5	148.6	108.3	-114.4	27.2	0	0	0	113.8
317	K	29.8	Very low	35.8	Very low	179 Å²	179	124.6 Å²	124.6	78%	0.778	73%	0.733	S	S	*	*			trans	60.5	135.8	150.7	-69.7	166.3	-173.8	133.8	0	121.7
318	V	38.4	Very low	37.5	Very low	124 Å²	124	120.9 Å²	120.9	75%	0.752	71%	0.713	S	S	*	*			trans	-59	133.9	157.6	170.9	0	0	0	0	110.2
319	D	29.7	Very low	39.3	Very low	161 Å²	161	114.7 Å²	114.7	86%	0.861	68%	0.682	S	S	*	*				-152.2	167.3	125.9	-104.2	-38.6	0	0	0	110.5
320	S	41.1	Very low	41.5	Very low	106 Å²	106	112.1 Å²	112.1	74%	0.741	67%	0.667	S	S	*	*			trans	-109.1	121.8	-164.4	-58.7	0	0	0	0	113.3
321	E	36.2	Very low	44.1	Very low	173 Å²	173	111.1 Å²	111.1	81%	0.808	65%	0.651	S	S	*	*			trans	-148	99.6	166.8	-116.8	156.3	-139.8	0	0	112.2
322	S	38.1	Very low	46.6	Very low	117 Å²	117	108.5 Å²	108.5	82%	0.818	63%	0.625	S	S	*	*			trans	-145.8	15.1	164.4	62.6	0	0	0	0	112.2
323	L	40.3	Very low	49	Very low	137 Å²	137	107 Å²	107	72%	0.717	61%	0.61	S	S	*	*			trans	-91	-18.3	-170.4	-152.1	73	0	0	0	113.4	S325 Q326 S327	L323-S325 PolarHBondContact O-N 3.24Å; L323-Q326 PolarHBondContact O-N 3.09Å; L323-S327 PolarHBondContact O-N 2.81Å
324	D	45.8	Very low	51.6	Low	94 Å²	94	105 Å²	105	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-64.2	-41.2	-169.4	-67.4	-33.5	0	0	0	114.1	Q326 S327 D328	D324-Q326 PolarHBondContact O-N 3.13Å; D324-S327 CarbonylContact O-C 3.51Å; D324-S327 VanDerWaalsContact O-CA 3.29Å; D324-S327 WeakPolarHBondContact O-CA 3.2Å; D324-S327 WeakPolarHBondContact O-CB 3.16Å; D324-S327 PolarHBondContact O-N 3.46Å; D324-D328 PolarHBondContact O-N 3.13Å
325	S	55.3	Low	54.6	Low	66 Å²	66	102.8 Å²	102.8	46%	0.462	57%	0.566	S	S	.	*	H	α-helix	trans	-63.9	-22.4	-174.2	75.5	0	0	0	0	114.1	Y249 L323	Y249-S325 VanDerWaalsContact OH-CB 3.28Å; Y249-S325 WeakPolarHBondContact OH-CB 3.42Å; Y249-S325 PolarHBondContact OH-O 3.07Å; Y249-S325 VanDerWaalsContact OH-O 3.1Å; Y249-S325 PolarHBondContact OH-OG 2.79Å; L323-S325 PolarHBondContact O-N 3.24Å
326	Q	50.3	Low	57.5	Low	160 Å²	160	100.7 Å²	100.7	75%	0.748	54%	0.543	S	S	*	.	H	α-helix	trans	-89.6	-26.3	171.3	-137.5	174.9	21.7	0	0	112.4	L323 D324 A330	L323-Q326 PolarHBondContact O-N 3.09Å; D324-Q326 PolarHBondContact O-N 3.13Å; Q326-A330 PolarHBondContact O-N 2.73Å
327	S	55.6	Low	60.3	Low	62 Å²	62	98.9 Å²	98.9	43%	0.434	54%	0.539	S	S	.	.	H	α-helix	trans	-62.9	-47.2	169.9	-163.4	0	0	0	0	111.2	L323 D324 V329 A330 K331	L323-S327 PolarHBondContact O-N 2.81Å; D324-S327 CarbonylContact O-C 3.51Å; D324-S327 VanDerWaalsContact O-CA 3.29Å; D324-S327 WeakPolarHBondContact O-CA 3.2Å; D324-S327 WeakPolarHBondContact O-CB 3.16Å; D324-S327 PolarHBondContact O-N 3.46Å; S327-V329 PolarHBondContact O-N 3.38Å; S327-A330 PolarHBondContact O-N 2.95Å; S327-A330 VanDerWaalsContact O-N 3.16Å; S327-K331 WeakPolarHBondContact O-CB 3.49Å; S327-K331 PolarHBondContact O-N 3.47Å
328	D	64.1	Low	63.3	Low	79 Å²	79	95.8 Å²	95.8	42%	0.422	52%	0.522	S	S	.	.	H	α-helix	trans	-60.4	-40.7	-176.8	-72.3	-38.1	0	0	0	113.4	D324 K331 L332	D324-D328 PolarHBondContact O-N 3.13Å; D328-K331 PolarHBondContact O-N 2.94Å; D328-L332 WeakPolarHBondContact O-CB 3.41Å; D328-L332 WeakPolarHBondContact O-CG 3.31Å; D328-L332 PolarHBondContact O-N 2.69Å
329	V	69.9	Low	65.9	Low	28 Å²	28	90 Å²	90	17%	0.17	49%	0.487	C	S	.	.	H	α-helix	trans	-70.2	-38.6	177.3	180	0	0	0	0	111.4	L245 Y249 S327 Q333	L245-V329 HydrophobicContact CD1-CG2 4.25Å; Y249-V329 HydrophobicContact CE2-CG2 4.12Å; S327-V329 PolarHBondContact O-N 3.38Å; V329-Q333 VanDerWaalsContact O-CG 3.31Å; V329-Q333 WeakPolarHBondContact O-CG 3.31Å; V329-Q333 PolarHBondContact O-N 2.77Å
330	A	74.1	Confident	68.6	Low	55 Å²	55	84 Å²	84	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-67.3	-40.3	175.3	0	0	0	0	0	111.5	Q326 S327 Q333 E334	Q326-A330 PolarHBondContact O-N 2.73Å; S327-A330 PolarHBondContact O-N 2.95Å; S327-A330 VanDerWaalsContact O-N 3.16Å; A330-Q333 WeakPolarHBondContact O-CB 3.36Å; A330-Q333 PolarHBondContact O-N 2.77Å; A330-E334 PolarHBondContact O-N 2.65Å
331	K	81.6	Confident	70.9	Confident	113 Å²	113	82.9 Å²	82.9	49%	0.491	45%	0.449	S	S	.	.	H	α-helix	trans	-64.8	-45.2	176.7	-177.4	180	174.8	-172.2	0	112	S327 D328 Q333 E334 D335	S327-K331 WeakPolarHBondContact O-CB 3.49Å; S327-K331 PolarHBondContact O-N 3.47Å; D328-K331 PolarHBondContact O-N 2.94Å; K331-Q333 VanDerWaalsContact C-N 3.26Å; K331-Q333 PolarHBondContact O-N 2.69Å; K331-E334 PolarHBondContact O-N 3.26Å; K331-E334 VanDerWaalsContact O-N 3.17Å; K331-D335 VanDerWaalsContact O-CB 3.31Å; K331-D335 WeakPolarHBondContact O-CB 3.15Å; K331-D335 PolarHBondContact O-N 3.47Å
332	L	82.9	Confident	73.5	Confident	30 Å²	30	77.4 Å²	77.4	16%	0.157	43%	0.425	C	S	.	.	H	α-helix	trans	-60.4	-35.3	172.7	-77.8	167.6	0	0	0	112.4	L238 M242 L245 D328 F336	L238-L332 HydrophobicContact CD2-CD2 3.64Å; M242-L332 HydrophobicContact CG-CB 3.9Å; M242-L332 HydrophobicContact CG-CD1 4.34Å; M242-L332 HydrophobicContact SD-CB 4.36Å; L245-L332 HydrophobicContact CD1-CD1 3.39Å; D328-L332 WeakPolarHBondContact O-CB 3.41Å; D328-L332 WeakPolarHBondContact O-CG 3.31Å; D328-L332 PolarHBondContact O-N 2.69Å; L332-F336 VanDerWaalsContact O-CB 3.28Å; L332-F336 WeakPolarHBondContact O-CB 3.49Å; L332-F336 PolarHBondContact O-N 3.1Å
333	Q	79.7	Confident	76.1	Confident	88 Å²	88	72.7 Å²	72.7	41%	0.411	39%	0.39	S	S	.	.	H	α-helix	trans	-70.3	-40	173.9	-72.3	173.1	21.6	0	0	112.4	M242 V329 A330 K331 C337	M242-Q333 HydrophobicContact CE-CG 3.53Å; M242-Q333 HydrophobicContact SD-CG 4.1Å; V329-Q333 VanDerWaalsContact O-CG 3.31Å; V329-Q333 WeakPolarHBondContact O-CG 3.31Å; V329-Q333 PolarHBondContact O-N 2.77Å; A330-Q333 WeakPolarHBondContact O-CB 3.36Å; A330-Q333 PolarHBondContact O-N 2.77Å; K331-Q333 VanDerWaalsContact C-N 3.26Å; K331-Q333 PolarHBondContact O-N 2.69Å; Q333-C337 WeakPolarHBondContact O-CB 3.41Å; Q333-C337 PolarHBondContact O-N 2.83Å; Q333-C337 PolarHBondContact O-SG 2.77Å
334	E	87.5	Confident	78.4	Confident	136 Å²	136	72 Å²	72	64%	0.636	38%	0.383	S	S	*	.	H	α-helix	trans	-65.7	-44.4	173.7	-173.6	177.4	173.1	0	0	111.7	A330 K331 C337 R338	A330-E334 PolarHBondContact O-N 2.65Å; K331-E334 PolarHBondContact O-N 3.26Å; K331-E334 VanDerWaalsContact O-N 3.17Å; E334-C337 PolarHBondContact O-N 3.5Å; E334-R338 VanDerWaalsContact O-CB 3.3Å; E334-R338 WeakPolarHBondContact O-CB 3.34Å; E334-R338 PolarHBondContact O-N 2.69Å
335	D	87.9	Confident	80.6	Confident	33 Å²	33	71.2 Å²	71.2	18%	0.176	38%	0.382	C	S	.	.	H	α-helix	trans	-57.3	-49.1	174	-69	-23.2	0	0	0	110.5	L238 K331 C337 R338 V339	L238-D335 HydrophobicContact CD1-CB 4.37Å; L238-D335 HydrophobicContact CD2-CB 4.22Å; K331-D335 VanDerWaalsContact O-CB 3.31Å; K331-D335 WeakPolarHBondContact O-CB 3.15Å; K331-D335 PolarHBondContact O-N 3.47Å; D335-C337 PolarHBondContact O-N 3.21Å; D335-R338 PolarHBondContact O-N 3.01Å; D335-R338 IonicContact OD1-CZ 2.7Å; D335-R338 IonicContact OD1-NH1 3.77Å; D335-R338 PolarHBondContact OD1-NH1 2.69Å; D335-R338 IonicContact OD1-NH2 3.5Å; D335-R338 PolarHBondContact OD1-NH2 3.35Å; D335-V339 WeakPolarHBondContact O-CG2 3.39Å; D335-V339 PolarHBondContact O-N 3.39Å
336	F	91.6	Very high	82.3	Confident	61 Å²	61	69.2 Å²	69.2	27%	0.268	37%	0.367	S	S	.	.	H	α-helix	trans	-59.6	-46.1	175.2	-177.9	-90.9	0	0	0	112.3	L235 L238 I239 L332 R338 V339 A340	L235-F336 HydrophobicContact CB-CD2 4.45Å; L235-F336 HydrophobicContact CB-CE2 4Å; L235-F336 HydrophobicContact CD2-CD1 4.5Å; L235-F336 HydrophobicContact CD2-CD2 3.41Å; L235-F336 VanDerWaalsContact CD2-CD2 3.41Å; L235-F336 HydrophobicContact CD2-CE2 3.41Å; L235-F336 VanDerWaalsContact CD2-CE2 3.41Å; L235-F336 HydrophobicContact CD2-CG 3.99Å; L235-F336 HydrophobicContact CD2-CZ 3.99Å; L235-F336 WeakPolarHBondContact CD2-O 3.24Å; L235-F336 HydrophobicContact CG-CE2 4.29Å; L238-F336 HydrophobicContact CB-CD2 4.13Å; L238-F336 HydrophobicContact CD1-CB 4.38Å; I239-F336 HydrophobicContact CD1-CE2 3.64Å; I239-F336 HydrophobicContact CD1-CZ 4.12Å; I239-F336 HydrophobicContact CG1-CD2 4.11Å; I239-F336 HydrophobicContact CG1-CE2 3.52Å; I239-F336 HydrophobicContact CG1-CZ 4.24Å; L332-F336 VanDerWaalsContact O-CB 3.28Å; L332-F336 WeakPolarHBondContact O-CB 3.49Å; L332-F336 PolarHBondContact O-N 3.1Å; F336-R338 VanDerWaalsContact C-N 3.32Å; F336-R338 PolarHBondContact O-N 3.4Å; F336-V339 PolarHBondContact O-N 2.84Å; F336-A340 VanDerWaalsContact O-CB 3.23Å; F336-A340 WeakPolarHBondContact O-CB 3.41Å; F336-A340 PolarHBondContact O-N 3.45Å
337	C	86.8	Confident	84	Confident	75 Å²	75	66.3 Å²	66.3	51%	0.507	36%	0.355	S	S	.	.	H	α-helix	trans	-64.6	-36.6	178.1	-68.9	0	0	0	0	112.3	Q333 E334 D335 T341	Q333-C337 WeakPolarHBondContact O-CB 3.41Å; Q333-C337 PolarHBondContact O-N 2.83Å; Q333-C337 PolarHBondContact O-SG 2.77Å; E334-C337 PolarHBondContact O-N 3.5Å; D335-C337 PolarHBondContact O-N 3.21Å; C337-T341 WeakPolarHBondContact O-CB 3.44Å; C337-T341 PolarHBondContact O-N 3.16Å; C337-T341 PolarHBondContact O-OG1 3.06Å
338	R	93.3	Very high	85.6	Confident	113 Å²	113	70.1 Å²	70.1	43%	0.426	36%	0.363	S	S	.	.	H	α-helix	trans	-67.4	-49.2	176.7	-175.7	178.6	66.2	-109.8	-2.2	111.5	E334 D335 F336 A340 T341 N342	E334-R338 VanDerWaalsContact O-CB 3.3Å; E334-R338 WeakPolarHBondContact O-CB 3.34Å; E334-R338 PolarHBondContact O-N 2.69Å; D335-R338 PolarHBondContact O-N 3.01Å; D335-R338 IonicContact OD1-CZ 2.7Å; D335-R338 IonicContact OD1-NH1 3.77Å; D335-R338 PolarHBondContact OD1-NH1 2.69Å; D335-R338 IonicContact OD1-NH2 3.5Å; D335-R338 PolarHBondContact OD1-NH2 3.35Å; F336-R338 VanDerWaalsContact C-N 3.32Å; F336-R338 PolarHBondContact O-N 3.4Å; R338-A340 VanDerWaalsContact C-N 3.34Å; R338-A340 PolarHBondContact O-N 3.22Å; R338-T341 WeakPolarHBondContact O-CB 3.43Å; R338-T341 PolarHBondContact O-N 3.36Å; R338-N342 VanDerWaalsContact O-CG 3.26Å; R338-N342 PolarHBondContact O-N 2.97Å
339	V	92.5	Very high	86.7	Confident	3 Å²	3	68 Å²	68	2%	0.018	36%	0.355	C	S	.	.	H	α-helix	trans	-64.7	-39.1	178	-179.3	0	0	0	0	110.7	Y231 E234 L235 L238 D335 F336 T341 N342 L343	Y231-V339 HydrophobicContact CD1-CG1 3.84Å; Y231-V339 HydrophobicContact CG-CG1 4.09Å; E234-V339 HydrophobicContact CB-CG1 4.2Å; E234-V339 VanDerWaalsContact CD-CG2 3.48Å; E234-V339 HydrophobicContact CG-CG1 4.19Å; E234-V339 HydrophobicContact CG-CG2 4.14Å; E234-V339 WeakPolarHBondContact OE2-CG1 3.3Å; L235-V339 HydrophobicContact CD1-CG1 4.3Å; L235-V339 HydrophobicContact CD2-CB 3.88Å; L235-V339 HydrophobicContact CD2-CG1 3.94Å; L235-V339 HydrophobicContact CG-CB 4.22Å; L235-V339 HydrophobicContact CG-CG1 3.7Å; L238-V339 HydrophobicContact CD1-CG2 4.19Å; D335-V339 WeakPolarHBondContact O-CG2 3.39Å; D335-V339 PolarHBondContact O-N 3.39Å; F336-V339 PolarHBondContact O-N 2.84Å; V339-T341 VanDerWaalsContact C-N 3.32Å; V339-T341 PolarHBondContact O-N 3.18Å; V339-N342 PolarHBondContact O-N 2.99Å; V339-L343 WeakPolarHBondContact O-CB 3.31Å; V339-L343 PolarHBondContact O-N 2.91Å
340	A	85.7	Confident	87.5	Confident	35 Å²	35	67.2 Å²	67.2	29%	0.289	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-35.6	175.2	0	0	0	0	0	112.4	L235 F336 R338 H344	L235-A340 HydrophobicContact CD1-CB 4.38Å; L235-A340 HydrophobicContact CD2-CB 3.96Å; F336-A340 VanDerWaalsContact O-CB 3.23Å; F336-A340 WeakPolarHBondContact O-CB 3.41Å; F336-A340 PolarHBondContact O-N 3.45Å; R338-A340 VanDerWaalsContact C-N 3.34Å; R338-A340 PolarHBondContact O-N 3.22Å; A340-H344 WeakPolarHBondContact O-CB 3.48Å; A340-H344 PolarHBondContact O-N 3.38Å
341	T	90.8	Very high	88.1	Confident	83 Å²	83	68.7 Å²	68.7	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-67.7	-43.3	173.7	-58.8	0	0	0	0	111.3	C337 R338 V339 H344 T345	C337-T341 WeakPolarHBondContact O-CB 3.44Å; C337-T341 PolarHBondContact O-N 3.16Å; C337-T341 PolarHBondContact O-OG1 3.06Å; R338-T341 WeakPolarHBondContact O-CB 3.43Å; R338-T341 PolarHBondContact O-N 3.36Å; V339-T341 VanDerWaalsContact C-N 3.32Å; V339-T341 PolarHBondContact O-N 3.18Å; T341-H344 PolarHBondContact O-N 2.81Å; T341-T345 PolarHBondContact O-N 3.36Å; T341-T345 PolarHBondContact O-OG1 3.49Å
342	N	90.5	Very high	88.2	Confident	57 Å²	57	66.9 Å²	66.9	31%	0.305	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-40.3	176.5	-67.6	-14	0	0	0	112.2	Y231 R338 V339 T345 T346	Y231-N342 HydrophobicContact CD2-CB 4.24Å; Y231-N342 HydrophobicContact CE1-CB 4.42Å; Y231-N342 HydrophobicContact CE2-CB 3.71Å; R338-N342 VanDerWaalsContact O-CG 3.26Å; R338-N342 PolarHBondContact O-N 2.97Å; V339-N342 PolarHBondContact O-N 2.99Å; N342-T345 WeakPolarHBondContact CA-OG1 3.38Å; N342-T345 PolarHBondContact O-N 3.46Å; N342-T345 PolarHBondContact O-OG1 2.98Å; N342-T345 VanDerWaalsContact O-OG1 3.05Å; N342-T346 WeakPolarHBondContact O-CB 3.49Å; N342-T346 PolarHBondContact O-N 2.94Å; N342-T346 PolarHBondContact O-OG1 2.95Å
343	L	92.1	Very high	88.2	Confident	18 Å²	18	66.1 Å²	66.1	9%	0.094	35%	0.349	C	S	.	.	H	α-helix	trans	-59.5	-47.6	170.8	176.1	63.1	0	0	0	110.9	C228 Y231 L232 L235 V339 T345 T346 M347	C228-L343 HydrophobicContact CB-CD1 3.59Å; C228-L343 WeakPolarHBondContact O-CD1 3.49Å; Y231-L343 HydrophobicContact CD2-CB 4.29Å; L232-L343 HydrophobicContact CD2-CD2 3.57Å; L232-L343 HydrophobicContact CG-CD1 4.19Å; L232-L343 HydrophobicContact CG-CD2 3.84Å; L235-L343 HydrophobicContact CD1-CD2 3.67Å; V339-L343 WeakPolarHBondContact O-CB 3.31Å; V339-L343 PolarHBondContact O-N 2.91Å; L343-T345 PolarHBondContact O-N 3.47Å; L343-T346 PolarHBondContact O-N 3.49Å; L343-M347 HydrophobicContact CD1-CG 3.87Å; L343-M347 HydrophobicContact CD1-SD 3.8Å; L343-M347 HydrophobicContact CG-CG 4.37Å; L343-M347 HydrophobicContact CG-SD 4Å; L343-M347 WeakPolarHBondContact O-CB 3.43Å; L343-M347 VanDerWaalsContact O-CG 3.29Å; L343-M347 WeakPolarHBondContact O-CG 3.23Å; L343-M347 PolarHBondContact O-N 3.37Å
344	H	89.6	Confident	88.2	Confident	123 Å²	123	65.2 Å²	65.2	57%	0.569	35%	0.346	S	S	*	.	H	α-helix	trans	-62.8	-42	179.9	-177.1	78.3	0	0	0	112.7	A340 T341 K348	A340-H344 WeakPolarHBondContact O-CB 3.48Å; A340-H344 PolarHBondContact O-N 3.38Å; T341-H344 PolarHBondContact O-N 2.81Å; H344-K348 VanDerWaalsContact O-CB 3.24Å; H344-K348 WeakPolarHBondContact O-CB 3.38Å; H344-K348 PolarHBondContact O-N 3.2Å
345	T	91.1	Very high	87.9	Confident	77 Å²	77	61.7 Å²	61.7	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-68.7	-40.9	178	52.5	0	0	0	0	112.1	T341 N342 L343 K348 S349	T341-T345 PolarHBondContact O-N 3.36Å; T341-T345 PolarHBondContact O-OG1 3.49Å; N342-T345 WeakPolarHBondContact CA-OG1 3.38Å; N342-T345 PolarHBondContact O-N 3.46Å; N342-T345 PolarHBondContact O-OG1 2.98Å; N342-T345 VanDerWaalsContact O-OG1 3.05Å; L343-T345 PolarHBondContact O-N 3.47Å; T345-K348 WeakPolarHBondContact O-CB 3.46Å; T345-K348 PolarHBondContact O-N 2.92Å; T345-S349 PolarHBondContact O-N 2.71Å
346	T	90.2	Very high	87.5	Confident	25 Å²	25	63.7 Å²	63.7	15%	0.153	35%	0.351	C	S	.	.	H	α-helix	trans	-68.6	-43.2	176.5	-55.8	0	0	0	0	111.9	D224 V227 C228 N342 L343 K348 S349 V350	D224-T346 HydrophobicContact CB-CG2 3.81Å; D224-T346 VanDerWaalsContact O-CG2 3.27Å; D224-T346 WeakPolarHBondContact O-CG2 3.37Å; V227-T346 HydrophobicContact CG1-CG2 4.37Å; C228-T346 WeakPolarHBondContact SG-CG2 3.24Å; N342-T346 WeakPolarHBondContact O-CB 3.49Å; N342-T346 PolarHBondContact O-N 2.94Å; N342-T346 PolarHBondContact O-OG1 2.95Å; L343-T346 PolarHBondContact O-N 3.49Å; T346-K348 PolarHBondContact O-N 2.92Å; T346-S349 WeakPolarHBondContact O-CA 3.39Å; T346-S349 VanDerWaalsContact O-CB 3.28Å; T346-S349 WeakPolarHBondContact O-CB 3.36Å; T346-S349 PolarHBondContact O-N 2.69Å; T346-V350 WeakPolarHBondContact O-CG2 3.48Å; T346-V350 PolarHBondContact O-N 3.2Å
347	M	87.1	Confident	86.8	Confident	99 Å²	99	62.4 Å²	62.4	49%	0.488	35%	0.346	S	S	.	.	H	α-helix	trans	-61.6	-30.6	172.6	-70.8	-173.1	82	0	0	112.5	C228 L343 L351	C228-M347 HydrophobicContact CB-CG 4.22Å; C228-M347 VanDerWaalsContact SG-CG 3.53Å; L343-M347 HydrophobicContact CD1-CG 3.87Å; L343-M347 HydrophobicContact CD1-SD 3.8Å; L343-M347 HydrophobicContact CG-CG 4.37Å; L343-M347 HydrophobicContact CG-SD 4Å; L343-M347 WeakPolarHBondContact O-CB 3.43Å; L343-M347 VanDerWaalsContact O-CG 3.29Å; L343-M347 WeakPolarHBondContact O-CG 3.23Å; L343-M347 PolarHBondContact O-N 3.37Å; M347-L351 WeakPolarHBondContact O-CB 3.21Å; M347-L351 PolarHBondContact O-N 2.75Å
348	K	89.4	Confident	86.5	Confident	141 Å²	141	66 Å²	66	61%	0.613	35%	0.349	S	S	*	.	H	α-helix	trans	-72.9	-34.6	173.5	-169.4	173.9	-179	177.1	0	112.4	H344 T345 T346 S352	H344-K348 VanDerWaalsContact O-CB 3.24Å; H344-K348 WeakPolarHBondContact O-CB 3.38Å; H344-K348 PolarHBondContact O-N 3.2Å; T345-K348 WeakPolarHBondContact O-CB 3.46Å; T345-K348 PolarHBondContact O-N 2.92Å; T346-K348 PolarHBondContact O-N 2.92Å; K348-S352 WeakPolarHBondContact O-CB 3.29Å; K348-S352 PolarHBondContact O-N 3.31Å; K348-S352 VanDerWaalsContact O-N 3.09Å
349	S	86.2	Confident	85.7	Confident	36 Å²	36	63.2 Å²	63.2	25%	0.252	34%	0.34	S	S	.	.	H	α-helix	trans	-59.5	-56.3	168.1	176.9	0	0	0	0	110.5	K220 D224 T345 T346 L351 S352 S353	K220-S349 PolarHBondContact NZ-OG 2.71Å; D224-S349 PolarHBondContact OD2-OG 2.92Å; T345-S349 PolarHBondContact O-N 2.71Å; T346-S349 WeakPolarHBondContact O-CA 3.39Å; T346-S349 VanDerWaalsContact O-CB 3.28Å; T346-S349 WeakPolarHBondContact O-CB 3.36Å; T346-S349 PolarHBondContact O-N 2.69Å; S349-L351 PolarHBondContact O-N 3.18Å; S349-S352 WeakPolarHBondContact O-CA 3.36Å; S349-S352 WeakPolarHBondContact O-CB 3.41Å; S349-S352 PolarHBondContact O-N 3.27Å; S349-S353 PolarHBondContact O-N 2.94Å
350	V	88.3	Confident	85	Confident	10 Å²	10	66.7 Å²	66.7	6%	0.061	35%	0.353	C	S	.	.	H	α-helix	trans	-48.8	-53.3	176.1	164.5	0	0	0	0	111.7	D224 L225 T346 S352 S353 L354	D224-V350 HydrophobicContact CB-CG2 3.46Å; D224-V350 VanDerWaalsContact CB-CG2 3.46Å; L225-V350 HydrophobicContact CD1-CG1 4.35Å; L225-V350 HydrophobicContact CD2-CG1 3.85Å; L225-V350 HydrophobicContact CD2-CG2 4.34Å; L225-V350 HydrophobicContact CG-CG1 3.91Å; L225-V350 HydrophobicContact CG-CG2 4.01Å; T346-V350 WeakPolarHBondContact O-CG2 3.48Å; T346-V350 PolarHBondContact O-N 3.2Å; V350-S352 VanDerWaalsContact C-N 3.28Å; V350-S352 PolarHBondContact O-N 3.24Å; V350-S353 PolarHBondContact O-N 3.32Å; V350-L354 HydrophobicContact CG1-CD1 3.83Å; V350-L354 WeakPolarHBondContact O-CB 3.25Å; V350-L354 WeakPolarHBondContact O-CG 3.4Å; V350-L354 PolarHBondContact O-N 3.17Å
351	L	86.3	Confident	84.1	Confident	87 Å²	87	68.3 Å²	68.3	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-35	-179.4	-177.9	62	0	0	0	112.3	M347 S349 T355	M347-L351 WeakPolarHBondContact O-CB 3.21Å; M347-L351 PolarHBondContact O-N 2.75Å; S349-L351 PolarHBondContact O-N 3.18Å; L351-T355 VanDerWaalsContact O-CB 3.27Å; L351-T355 WeakPolarHBondContact O-CB 3.47Å; L351-T355 PolarHBondContact O-N 2.76Å; L351-T355 PolarHBondContact O-OG1 3.2Å
352	S	83.8	Confident	83.2	Confident	75 Å²	75	69.3 Å²	69.3	52%	0.524	35%	0.354	S	S	.	.	H	α-helix	trans	-68.6	-45.4	177	-164.9	0	0	0	0	111.9	K348 S349 V350 T355 S356	K348-S352 WeakPolarHBondContact O-CB 3.29Å; K348-S352 PolarHBondContact O-N 3.31Å; K348-S352 VanDerWaalsContact O-N 3.09Å; S349-S352 WeakPolarHBondContact O-CA 3.36Å; S349-S352 WeakPolarHBondContact O-CB 3.41Å; S349-S352 PolarHBondContact O-N 3.27Å; V350-S352 VanDerWaalsContact C-N 3.28Å; V350-S352 PolarHBondContact O-N 3.24Å; S352-T355 PolarHBondContact O-N 2.88Å; S352-S356 WeakPolarHBondContact O-CB 3.43Å; S352-S356 PolarHBondContact O-N 3.48Å; S352-S356 PolarHBondContact O-OG 3.32Å
353	S	82	Confident	82	Confident	14 Å²	14	72.3 Å²	72.3	10%	0.098	37%	0.366	C	S	.	.	H	α-helix	trans	-62.7	-48.9	175.7	-72.2	0	0	0	0	111.4	S349 V350 T355 S356 E357	S349-S353 PolarHBondContact O-N 2.94Å; V350-S353 PolarHBondContact O-N 3.32Å; S353-T355 VanDerWaalsContact C-N 3.33Å; S353-T355 PolarHBondContact O-N 3.25Å; S353-S356 PolarHBondContact O-N 2.85Å; S353-S356 VanDerWaalsContact O-N 3.17Å; S353-E357 WeakPolarHBondContact O-CB 3.25Å; S353-E357 PolarHBondContact O-N 3.35Å
354	L	80.1	Confident	80.7	Confident	69 Å²	69	74.7 Å²	74.7	36%	0.361	38%	0.384	S	S	.	.	H	α-helix	trans	-61.2	-38.3	177.8	-70.1	171.8	0	0	0	113.1	M218 C221 V350 R358	M218-L354 HydrophobicContact CE-CD2 3.94Å; M218-L354 HydrophobicContact SD-CD2 3.85Å; C221-L354 VanDerWaalsContact SG-CG 3.57Å; V350-L354 HydrophobicContact CG1-CD1 3.83Å; V350-L354 WeakPolarHBondContact O-CB 3.25Å; V350-L354 WeakPolarHBondContact O-CG 3.4Å; V350-L354 PolarHBondContact O-N 3.17Å; L354-R358 WeakPolarHBondContact O-CB 3.29Å; L354-R358 PolarHBondContact O-N 3.34Å
355	T	81.4	Confident	79	Confident	61 Å²	61	75 Å²	75	37%	0.374	39%	0.389	S	S	.	.	H	α-helix	trans	-69	-37.9	177.1	-56.5	0	0	0	0	111.4	L351 S352 S353 E359	L351-T355 VanDerWaalsContact O-CB 3.27Å; L351-T355 WeakPolarHBondContact O-CB 3.47Å; L351-T355 PolarHBondContact O-N 2.76Å; L351-T355 PolarHBondContact O-OG1 3.2Å; S352-T355 PolarHBondContact O-N 2.88Å; S353-T355 VanDerWaalsContact C-N 3.33Å; S353-T355 PolarHBondContact O-N 3.25Å; T355-E359 PolarHBondContact O-N 2.99Å; T355-E359 VanDerWaalsContact O-N 3.16Å
356	S	78.6	Confident	77.4	Confident	76 Å²	76	76.2 Å²	76.2	53%	0.531	39%	0.392	S	S	.	.	H	α-helix	trans	-66.5	-45.4	177	-55	0	0	0	0	111.2	S352 S353 E359 R360	S352-S356 WeakPolarHBondContact O-CB 3.43Å; S352-S356 PolarHBondContact O-N 3.48Å; S352-S356 PolarHBondContact O-OG 3.32Å; S353-S356 PolarHBondContact O-N 2.85Å; S353-S356 VanDerWaalsContact O-N 3.17Å; S356-E359 PolarHBondContact O-N 2.88Å; S356-R360 PolarHBondContact O-N 3.36Å
357	E	77.4	Confident	75.7	Confident	33 Å²	33	83.1 Å²	83.1	15%	0.154	42%	0.422	C	S	.	.	H	α-helix	trans	-64.6	-41.2	177.8	178.9	59.7	-171.1	0	0	112	M218 S353 E359 R360 L361	M218-E357 HydrophobicContact CG-CG 4.09Å; M218-E357 HydrophobicContact SD-CB 4.3Å; M218-E357 HydrophobicContact SD-CG 3.93Å; S353-E357 WeakPolarHBondContact O-CB 3.25Å; S353-E357 PolarHBondContact O-N 3.35Å; E357-E359 VanDerWaalsContact C-N 3.31Å; E357-E359 PolarHBondContact O-N 2.95Å; E357-R360 WeakPolarHBondContact O-CB 3.33Å; E357-R360 PolarHBondContact O-N 3.01Å; E357-R360 IonicContact OE1-CZ 3.5Å; E357-R360 IonicContact OE1-NE 2.88Å; E357-R360 PolarHBondContact OE1-NE 3.09Å; E357-R360 IonicContact OE1-NH2 2.69Å; E357-R360 PolarHBondContact OE1-NH2 2.89Å; E357-R360 IonicContact OE2-CZ 3.45Å; E357-R360 IonicContact OE2-NE 3.5Å; E357-R360 PolarHBondContact OE2-NE 3.41Å; E357-R360 IonicContact OE2-NH2 3.37Å; E357-R360 PolarHBondContact OE2-NH2 3.3Å; E357-L361 HydrophobicContact CG-CD1 4.17Å; E357-L361 WeakPolarHBondContact O-CB 3.14Å; E357-L361 WeakPolarHBondContact O-CG 3.36Å; E357-L361 PolarHBondContact O-N 2.79Å
358	R	80.3	Confident	73.6	Confident	151 Å²	151	85.4 Å²	85.4	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-58.1	-42.8	173.4	-171	-152.8	71.8	-168.1	0.2	111.9	L354 K362	L354-R358 WeakPolarHBondContact O-CB 3.29Å; L354-R358 PolarHBondContact O-N 3.34Å; R358-K362 WeakPolarHBondContact O-CB 3.4Å; R358-K362 PolarHBondContact O-N 3.41Å
359	E	77	Confident	71.5	Confident	55 Å²	55	83 Å²	83	26%	0.257	44%	0.438	S	S	.	.	H	α-helix	trans	-73.9	-33.3	180	-149.2	64.9	-155.7	0	0	111.9	T355 S356 E357 K362 Q363	T355-E359 PolarHBondContact O-N 2.99Å; T355-E359 VanDerWaalsContact O-N 3.16Å; S356-E359 PolarHBondContact O-N 2.88Å; E357-E359 VanDerWaalsContact C-N 3.31Å; E357-E359 PolarHBondContact O-N 2.95Å; E359-K362 PolarHBondContact O-N 3.34Å; E359-K362 WeakPolarHBondContact OE1-CD 3.47Å; E359-K362 IonicContact OE1-NZ 2.69Å; E359-K362 PolarHBondContact OE1-NZ 2.94Å; E359-Q363 VanDerWaalsContact O-CG 3.31Å; E359-Q363 WeakPolarHBondContact O-CG 3.48Å; E359-Q363 PolarHBondContact O-N 3.31Å
360	R	77.4	Confident	69.3	Low	76 Å²	76	91.5 Å²	91.5	29%	0.287	47%	0.466	S	S	.	.	H	α-helix	trans	-60.1	-50.6	170	-171.3	-170.7	74.2	99.4	-6.1	111.4	S214 S356 E357 K362 Q363 C364	S214-R360 PolarHBondContact OG-NH1 3.31Å; S356-R360 PolarHBondContact O-N 3.36Å; E357-R360 WeakPolarHBondContact O-CB 3.33Å; E357-R360 PolarHBondContact O-N 3.01Å; E357-R360 IonicContact OE1-CZ 3.5Å; E357-R360 IonicContact OE1-NE 2.88Å; E357-R360 PolarHBondContact OE1-NE 3.09Å; E357-R360 IonicContact OE1-NH2 2.69Å; E357-R360 PolarHBondContact OE1-NH2 2.89Å; E357-R360 IonicContact OE2-CZ 3.45Å; E357-R360 IonicContact OE2-NE 3.5Å; E357-R360 PolarHBondContact OE2-NE 3.41Å; E357-R360 IonicContact OE2-NH2 3.37Å; E357-R360 PolarHBondContact OE2-NH2 3.3Å; R360-K362 VanDerWaalsContact C-N 3.3Å; R360-K362 PolarHBondContact O-N 3.15Å; R360-Q363 PolarHBondContact O-N 3.07Å; R360-C364 PolarHBondContact O-N 3.4Å; R360-C364 PolarHBondContact O-SG 2.81Å; R360-C364 VanDerWaalsContact O-SG 3.37Å
361	L	65.9	Low	67.5	Low	69 Å²	69	96 Å²	96	36%	0.361	50%	0.496	S	S	.	.	H	α-helix	trans	-60.3	-40.3	178.3	-71.7	169.9	0	0	0	111.9	W211 E357 C364 L365	W211-L361 HydrophobicContact CZ2-CD2 4.5Å; E357-L361 HydrophobicContact CG-CD1 4.17Å; E357-L361 WeakPolarHBondContact O-CB 3.14Å; E357-L361 WeakPolarHBondContact O-CG 3.36Å; E357-L361 PolarHBondContact O-N 2.79Å; L361-C364 WeakPolarHBondContact O-CB 3.41Å; L361-C364 PolarHBondContact O-N 3.38Å; L361-L365 VanDerWaalsContact O-CD1 3.28Å; L361-L365 WeakPolarHBondContact O-CD1 3.29Å; L361-L365 PolarHBondContact O-N 3.25Å
362	K	71.7	Confident	65.7	Low	103 Å²	103	96 Å²	96	45%	0.448	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-46.4	174.6	179.1	-178	154.5	-149.7	0	112.1	R358 E359 R360 C364 L365 D366	R358-K362 WeakPolarHBondContact O-CB 3.4Å; R358-K362 PolarHBondContact O-N 3.41Å; E359-K362 PolarHBondContact O-N 3.34Å; E359-K362 WeakPolarHBondContact OE1-CD 3.47Å; E359-K362 IonicContact OE1-NZ 2.69Å; E359-K362 PolarHBondContact OE1-NZ 2.94Å; R360-K362 VanDerWaalsContact C-N 3.3Å; R360-K362 PolarHBondContact O-N 3.15Å; K362-C364 VanDerWaalsContact C-N 3.26Å; K362-C364 PolarHBondContact O-N 3.13Å; K362-L365 WeakPolarHBondContact O-CB 3.14Å; K362-L365 PolarHBondContact O-N 2.88Å; K362-L365 VanDerWaalsContact O-N 3.08Å; K362-D366 PolarHBondContact O-N 3.43Å
363	Q	67.3	Low	63.9	Low	121 Å²	121	99.4 Å²	99.4	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-61.8	-33.4	175	-71.6	171.6	20.1	0	0	112.5	E359 R360 H367	E359-Q363 VanDerWaalsContact O-CG 3.31Å; E359-Q363 WeakPolarHBondContact O-CG 3.48Å; E359-Q363 PolarHBondContact O-N 3.31Å; R360-Q363 PolarHBondContact O-N 3.07Å; Q363-H367 PolarHBondContact O-N 3.11Å
364	C	63.3	Low	62.7	Low	68 Å²	68	100.8 Å²	100.8	46%	0.459	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-40.7	171.2	-68.3	0	0	0	0	112.7	R360 L361 K362	R360-C364 PolarHBondContact O-N 3.4Å; R360-C364 PolarHBondContact O-SG 2.81Å; R360-C364 VanDerWaalsContact O-SG 3.37Å; L361-C364 WeakPolarHBondContact O-CB 3.41Å; L361-C364 PolarHBondContact O-N 3.38Å; K362-C364 VanDerWaalsContact C-N 3.26Å; K362-C364 PolarHBondContact O-N 3.13Å
365	L	55.1	Low	61.3	Low	130 Å²	130	102.5 Å²	102.5	68%	0.681	54%	0.543	S	S	*	.	H	α-helix	trans	-63.5	-45.8	173.7	-95.5	84.2	0	0	0	111.9	L361 K362 H367 D368	L361-L365 VanDerWaalsContact O-CD1 3.28Å; L361-L365 WeakPolarHBondContact O-CD1 3.29Å; L361-L365 PolarHBondContact O-N 3.25Å; K362-L365 WeakPolarHBondContact O-CB 3.14Å; K362-L365 PolarHBondContact O-N 2.88Å; K362-L365 VanDerWaalsContact O-N 3.08Å; L365-H367 PolarHBondContact O-N 3.38Å; L365-D368 PolarHBondContact O-N 3.01Å
366	D	57.6	Low	59.7	Low	101 Å²	101	106.7 Å²	106.7	54%	0.54	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-22.1	-176.1	-69.3	-29.7	0	0	0	112.6	K362	K362-D366 PolarHBondContact O-N 3.43Å
367	H	52.9	Low	58.3	Low	170 Å²	170	106.3 Å²	106.3	79%	0.787	55%	0.553	S	S	*	*	H	α-helix	trans	-87.8	-14.6	178.7	-93.8	0.4	0	0	0	116.2	Q363 L365 S369	Q363-H367 PolarHBondContact O-N 3.11Å; L365-H367 PolarHBondContact O-N 3.38Å; H367-S369 PolarHBondContact O-N 3.28Å
368	D	43.3	Very low	57.2	Low	148 Å²	148	107.7 Å²	107.7	79%	0.791	56%	0.564	S	S	*	*			trans	-80.3	12.2	179	-104.9	-12.5	0	0	0	113.7	L365 Y370	L365-D368 PolarHBondContact O-N 3.01Å; D368-Y370 PolarHBondContact O-N 2.88Å
369	S	46	Very low	55.9	Low	91 Å²	91	105.3 Å²	105.3	64%	0.636	56%	0.562	S	S	*	*			trans	-89.1	45.3	-173.6	-65.9	0	0	0	0	115.2	H367	H367-S369 PolarHBondContact O-N 3.28Å
370	Y	39.8	Very low	54.6	Low	213 Å²	213	108.4 Å²	108.4	84%	0.835	58%	0.58	S	S	*	*	S	Bend	trans	-137.8	157	169.3	-86.4	-75.4	0	0	0	111.4	D368	D368-Y370 PolarHBondContact O-N 2.88Å
371	P	50.3	Low	53.3	Low	106 Å²	106	111.6 Å²	111.6	69%	0.688	60%	0.596	S	S	*	*			trans	-69.3	148.8	-154.4	24	-34	0	0	0	115.5	T373	P371-T373 PolarHBondContact O-N 3.16Å
372	P	48.4	Very low	52.9	Low	85 Å²	85	112.7 Å²	112.7	55%	0.552	60%	0.602	S	S	*	*			trans	-84.2	88.1	-159.4	33.6	-38	0	0	0	114.3	S374	P372-S374 PolarHBondContact O-N 3.11Å
373	T	46.8	Very low	52.1	Low	148 Å²	148	111.4 Å²	111.4	91%	0.908	60%	0.603	S	S	*	*			trans	-86.2	41.6	167.7	47.1	0	0	0	0	113.4	P371	P371-T373 PolarHBondContact O-N 3.16Å
374	S	55.5	Low	51.3	Low	43 Å²	43	110.2 Å²	110.2	30%	0.301	60%	0.6	S	S	.	*			trans	-121	111.5	162.5	178	0	0	0	0	109.8	P372 Q376 V377 V378	P372-S374 PolarHBondContact O-N 3.11Å; S374-Q376 PolarHBondContact O-N 3.03Å; S374-Q376 VanDerWaalsContact O-N 3.13Å; S374-Q376 PolarHBondContact OG-N 2.76Å; S374-V377 PolarHBondContact O-N 3.31Å; S374-V378 PolarHBondContact O-N 2.84Å
375	P	52	Low	51	Low	105 Å²	105	109.6 Å²	109.6	68%	0.682	60%	0.6	S	S	*	*	H	α-helix	trans	-64.1	-18.5	178	26.8	-34.1	0	0	0	112.1	N379	P375-N379 WeakPolarHBondContact O-CB 3.41Å; P375-N379 PolarHBondContact O-N 2.86Å
376	Q	46.7	Very low	50.9	Low	148 Å²	148	106 Å²	106	69%	0.692	59%	0.589	S	S	*	*	H	α-helix	trans	-70	-34.2	172.3	-68	178.5	-25.1	0	0	112.6	S374 L380	S374-Q376 PolarHBondContact O-N 3.03Å; S374-Q376 VanDerWaalsContact O-N 3.13Å; S374-Q376 PolarHBondContact OG-N 2.76Å; Q376-L380 VanDerWaalsContact O-CB 3.31Å; Q376-L380 WeakPolarHBondContact O-CB 3.49Å; Q376-L380 VanDerWaalsContact O-CG 3.3Å; Q376-L380 WeakPolarHBondContact O-CG 3.47Å; Q376-L380 PolarHBondContact O-N 2.96Å
377	V	48.8	Very low	50.3	Low	69 Å²	69	102.9 Å²	102.9	42%	0.418	58%	0.577	S	S	.	*	H	α-helix	trans	-75.9	-37.8	176.4	178.6	0	0	0	0	110.6	S374 L380 K381	S374-V377 PolarHBondContact O-N 3.31Å; V377-L380 PolarHBondContact O-N 3.36Å; V377-K381 WeakPolarHBondContact O-CB 3.48Å; V377-K381 WeakPolarHBondContact O-CG 3.39Å; V377-K381 PolarHBondContact O-N 2.89Å
378	V	55.6	Low	50.2	Low	62 Å²	62	101.4 Å²	101.4	38%	0.376	57%	0.568	S	S	.	*	H	α-helix	trans	-62.2	-46.3	169.9	179.3	0	0	0	0	110.2	S374 L380 K381 N382	S374-V378 PolarHBondContact O-N 2.84Å; V378-L380 PolarHBondContact O-N 2.84Å; V378-K381 PolarHBondContact O-N 2.9Å; V378-N382 WeakPolarHBondContact O-CB 3.22Å; V378-N382 PolarHBondContact O-N 2.88Å; V378-N382 PolarHBondContact O-OD1 3.25Å
379	N	52.6	Low	51	Low	100 Å²	100	97.2 Å²	97.2	54%	0.535	55%	0.554	S	S	.	*	H	α-helix	trans	-67.1	-35.7	178.4	-157.7	58.2	0	0	0	112.2	P375 N382 T383	P375-N379 WeakPolarHBondContact O-CB 3.41Å; P375-N379 PolarHBondContact O-N 2.86Å; N379-N382 CarbonylContact O-C 3.23Å; N379-N382 PolarHBondContact O-N 3.01Å; N379-T383 WeakPolarHBondContact O-CB 3.43Å; N379-T383 PolarHBondContact O-N 3.34Å; N379-T383 PolarHBondContact O-OG1 3.09Å
380	L	48.9	Very low	51	Low	120 Å²	120	98.5 Å²	98.5	63%	0.628	55%	0.55	S	S	*	*	H	α-helix	trans	-67.7	-37.4	172.4	-80	168	0	0	0	112.5	Q376 V377 V378 N382 T383 L384	Q376-L380 VanDerWaalsContact O-CB 3.31Å; Q376-L380 WeakPolarHBondContact O-CB 3.49Å; Q376-L380 VanDerWaalsContact O-CG 3.3Å; Q376-L380 WeakPolarHBondContact O-CG 3.47Å; Q376-L380 PolarHBondContact O-N 2.96Å; V377-L380 PolarHBondContact O-N 3.36Å; V378-L380 PolarHBondContact O-N 2.84Å; L380-N382 VanDerWaalsContact C-N 3.34Å; L380-T383 PolarHBondContact O-N 3.21Å; L380-L384 WeakPolarHBondContact O-CB 3.3Å; L380-L384 PolarHBondContact O-N 3.23Å
381	K	51.6	Low	51.3	Low	144 Å²	144	92.1 Å²	92.1	63%	0.626	53%	0.531	S	S	*	.	H	α-helix	trans	-64.9	-38.2	170.5	-78.3	-173.1	174.6	-175	0	111.8	V377 V378 L384 A385	V377-K381 WeakPolarHBondContact O-CB 3.48Å; V377-K381 WeakPolarHBondContact O-CG 3.39Å; V377-K381 PolarHBondContact O-N 2.89Å; V378-K381 PolarHBondContact O-N 2.9Å; K381-L384 PolarHBondContact O-N 2.89Å; K381-A385 VanDerWaalsContact O-CB 3.28Å; K381-A385 WeakPolarHBondContact O-CB 3.46Å; K381-A385 PolarHBondContact O-N 3.17Å
382	N	56.7	Low	51.5	Low	92 Å²	92	90.6 Å²	90.6	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-70.3	-39.2	175.8	-67	-6.1	0	0	0	112	V378 N379 L380 A385 A386	V378-N382 WeakPolarHBondContact O-CB 3.22Å; V378-N382 PolarHBondContact O-N 2.88Å; V378-N382 PolarHBondContact O-OD1 3.25Å; N379-N382 CarbonylContact O-C 3.23Å; N379-N382 PolarHBondContact O-N 3.01Å; L380-N382 VanDerWaalsContact C-N 3.34Å; N382-A385 PolarHBondContact O-N 2.95Å; N382-A386 WeakPolarHBondContact O-CB 3.12Å; N382-A386 PolarHBondContact O-N 2.69Å
383	T	56.1	Low	51.7	Low	76 Å²	76	90.8 Å²	90.8	47%	0.466	52%	0.516	S	S	.	.	H	α-helix	trans	-68.3	-35.2	173.2	-61.4	0	0	0	0	111.4	N379 L380 A386 A387	N379-T383 WeakPolarHBondContact O-CB 3.43Å; N379-T383 PolarHBondContact O-N 3.34Å; N379-T383 PolarHBondContact O-OG1 3.09Å; L380-T383 PolarHBondContact O-N 3.21Å; T383-A386 PolarHBondContact O-N 3.02Å; T383-A387 WeakPolarHBondContact O-CB 3.49Å; T383-A387 PolarHBondContact O-N 3.18Å
384	L	50.3	Low	51.6	Low	95 Å²	95	88.3 Å²	88.3	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-69.9	-41.9	173.6	-179.3	61.2	0	0	0	111.3	L380 K381 A387 F388	L380-L384 WeakPolarHBondContact O-CB 3.3Å; L380-L384 PolarHBondContact O-N 3.23Å; K381-L384 PolarHBondContact O-N 2.89Å; L384-A387 CarbonylContact O-C 3.59Å; L384-A387 PolarHBondContact O-N 2.89Å; L384-F388 HydrophobicContact CD1-CD2 4.03Å; L384-F388 HydrophobicContact CD1-CE2 3.59Å; L384-F388 HydrophobicContact CD1-CZ 4.07Å; L384-F388 HydrophobicContact CD2-CE2 4.1Å; L384-F388 HydrophobicContact CG-CD2 3.89Å; L384-F388 HydrophobicContact CG-CE2 3.59Å; L384-F388 WeakPolarHBondContact O-CB 3.33Å; L384-F388 WeakPolarHBondContact O-CD2 3.24Å; L384-F388 PolarHBondContact O-N 2.85Å
385	A	56	Low	51.2	Low	56 Å²	56	94.3 Å²	94.3	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-63.9	-40	172.4	0	0	0	0	0	111.7	K381 N382 F388 A389	K381-A385 VanDerWaalsContact O-CB 3.28Å; K381-A385 WeakPolarHBondContact O-CB 3.46Å; K381-A385 PolarHBondContact O-N 3.17Å; N382-A385 PolarHBondContact O-N 2.95Å; A385-F388 PolarHBondContact O-N 3.34Å; A385-A389 WeakPolarHBondContact O-CB 3.45Å; A385-A389 PolarHBondContact O-N 3.35Å
386	A	52.2	Low	51.3	Low	54 Å²	54	95.7 Å²	95.7	45%	0.446	51%	0.51	S	S	.	.	H	α-helix	trans	-66.9	-37.6	172.9	0	0	0	0	0	111.8	N382 T383 A389 Q390	N382-A386 WeakPolarHBondContact O-CB 3.12Å; N382-A386 PolarHBondContact O-N 2.69Å; T383-A386 PolarHBondContact O-N 3.02Å; A386-A389 PolarHBondContact O-N 2.96Å; A386-Q390 WeakPolarHBondContact O-CB 3.39Å; A386-Q390 PolarHBondContact O-N 3.07Å
387	A	45.8	Very low	51.2	Low	35 Å²	35	95.3 Å²	95.3	29%	0.289	50%	0.502	S	S	.	.	H	α-helix	trans	-71.3	-29.9	174.4	0	0	0	0	0	112.4	T383 L384 N391	T383-A387 WeakPolarHBondContact O-CB 3.49Å; T383-A387 PolarHBondContact O-N 3.18Å; L384-A387 CarbonylContact O-C 3.59Å; L384-A387 PolarHBondContact O-N 2.89Å; A387-N391 VanDerWaalsContact O-CB 3.26Å; A387-N391 WeakPolarHBondContact O-CB 3.26Å; A387-N391 PolarHBondContact O-N 3.17Å; A387-N391 PolarHBondContact O-ND2 2.7Å
388	F	51.8	Low	50.8	Low	139 Å²	139	96 Å²	96	61%	0.61	50%	0.503	S	S	*	.	H	α-helix	trans	-72.9	-42.1	169.4	-79.1	-52.8	0	0	0	111.9	L384 A385 N391 S392	L384-F388 HydrophobicContact CD1-CD2 4.03Å; L384-F388 HydrophobicContact CD1-CE2 3.59Å; L384-F388 HydrophobicContact CD1-CZ 4.07Å; L384-F388 HydrophobicContact CD2-CE2 4.1Å; L384-F388 HydrophobicContact CG-CD2 3.89Å; L384-F388 HydrophobicContact CG-CE2 3.59Å; L384-F388 WeakPolarHBondContact O-CB 3.33Å; L384-F388 WeakPolarHBondContact O-CD2 3.24Å; L384-F388 PolarHBondContact O-N 2.85Å; A385-F388 PolarHBondContact O-N 3.34Å; F388-N391 CarbonylContact O-C 3.59Å; F388-N391 PolarHBondContact O-N 3.13Å; F388-S392 WeakPolarHBondContact O-CB 3.32Å; F388-S392 PolarHBondContact O-N 3.46Å
389	A	58.6	Low	50.1	Low	60 Å²	60	98 Å²	98	50%	0.496	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-43.5	172.7	0	0	0	0	0	111	A385 A386 S392 E393	A385-A389 WeakPolarHBondContact O-CB 3.45Å; A385-A389 PolarHBondContact O-N 3.35Å; A386-A389 PolarHBondContact O-N 2.96Å; A389-S392 CarbonylContact O-C 3.51Å; A389-S392 WeakPolarHBondContact O-CA 3.33Å; A389-S392 WeakPolarHBondContact O-CB 3.43Å; A389-S392 PolarHBondContact O-N 3.32Å; A389-S392 VanDerWaalsContact O-N 3.14Å; A389-E393 WeakPolarHBondContact O-CB 3.38Å; A389-E393 PolarHBondContact O-N 3.5Å
390	Q	47.6	Very low	49.7	Very low	118 Å²	118	98.9 Å²	98.9	55%	0.551	51%	0.511	S	S	*	.	H	α-helix	trans	-69.3	-30.4	174.9	-168	176.9	27.9	0	0	112	A386 L394	A386-Q390 WeakPolarHBondContact O-CB 3.39Å; A386-Q390 PolarHBondContact O-N 3.07Å; Q390-L394 HydrophobicContact CG-CD1 4.19Å; Q390-L394 HydrophobicContact CG-CG 4.47Å; Q390-L394 WeakPolarHBondContact O-CB 3.48Å; Q390-L394 WeakPolarHBondContact O-CD1 3.34Å; Q390-L394 WeakPolarHBondContact O-CG 3.46Å; Q390-L394 PolarHBondContact O-N 3.33Å
391	N	44.6	Very low	49.2	Very low	80 Å²	80	97.8 Å²	97.8	43%	0.428	50%	0.504	S	S	.	.	H	α-helix	trans	-70.3	-35.5	167.8	-95.7	-93.1	0	0	0	112	A387 F388 R395	A387-N391 VanDerWaalsContact O-CB 3.26Å; A387-N391 WeakPolarHBondContact O-CB 3.26Å; A387-N391 PolarHBondContact O-N 3.17Å; A387-N391 PolarHBondContact O-ND2 2.7Å; F388-N391 CarbonylContact O-C 3.59Å; F388-N391 PolarHBondContact O-N 3.13Å; N391-R395 VanDerWaalsContact O-CB 3.26Å; N391-R395 WeakPolarHBondContact O-CB 3.49Å; N391-R395 WeakPolarHBondContact O-CD 3.42Å; N391-R395 WeakPolarHBondContact O-CG 3.48Å; N391-R395 PolarHBondContact O-N 3.07Å
392	S	54.1	Low	48.6	Very low	74 Å²	74	95.7 Å²	95.7	52%	0.517	50%	0.497	S	S	.	.	H	α-helix	trans	-65.7	-47.2	173.6	-162.4	0	0	0	0	110.2	F388 A389 R395 E396	F388-S392 WeakPolarHBondContact O-CB 3.32Å; F388-S392 PolarHBondContact O-N 3.46Å; A389-S392 CarbonylContact O-C 3.51Å; A389-S392 WeakPolarHBondContact O-CA 3.33Å; A389-S392 WeakPolarHBondContact O-CB 3.43Å; A389-S392 PolarHBondContact O-N 3.32Å; A389-S392 VanDerWaalsContact O-N 3.14Å; S392-R395 CarbonylContact O-C 3.58Å; S392-R395 PolarHBondContact O-N 3.45Å; S392-E396 VanDerWaalsContact O-CB 3.28Å; S392-E396 WeakPolarHBondContact O-CB 3.23Å; S392-E396 PolarHBondContact O-N 3.24Å
393	E	52.8	Low	47.9	Very low	89 Å²	89	94.6 Å²	94.6	42%	0.416	50%	0.501	S	S	.	.	H	α-helix	trans	-67.1	-36.1	176.4	-160.9	-165.6	164.5	0	0	111.7	A389 E396 R397	A389-E393 WeakPolarHBondContact O-CB 3.38Å; A389-E393 PolarHBondContact O-N 3.5Å; E393-E396 PolarHBondContact O-N 3.22Å; E393-R397 HydrophobicContact CG-CG 4.49Å; E393-R397 WeakPolarHBondContact O-CB 3.42Å; E393-R397 WeakPolarHBondContact O-CD 3.18Å; E393-R397 WeakPolarHBondContact O-CG 3.34Å; E393-R397 PolarHBondContact O-N 2.72Å; E393-R397 IonicContact OE1-CZ 3.18Å; E393-R397 IonicContact OE1-NE 2.92Å; E393-R397 PolarHBondContact OE1-NE 2.72Å; E393-R397 IonicContact OE1-NH2 2.65Å; E393-R397 PolarHBondContact OE1-NH2 2.78Å
394	L	44.8	Very low	47	Very low	95 Å²	95	97 Å²	97	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-69.8	-33.8	172.7	-77.4	168.5	0	0	0	111.9	Q390 L398	Q390-L394 HydrophobicContact CG-CD1 4.19Å; Q390-L394 HydrophobicContact CG-CG 4.47Å; Q390-L394 WeakPolarHBondContact O-CB 3.48Å; Q390-L394 WeakPolarHBondContact O-CD1 3.34Å; Q390-L394 WeakPolarHBondContact O-CG 3.46Å; Q390-L394 PolarHBondContact O-N 3.33Å; L394-L398 WeakPolarHBondContact O-CB 3.01Å; L394-L398 PolarHBondContact O-N 3.02Å
395	R	47.6	Very low	46.2	Very low	170 Å²	170	96.4 Å²	96.4	64%	0.642	51%	0.511	S	S	*	.	H	α-helix	trans	-72.2	-35.9	172.1	-75.6	168.2	-179.8	-159.9	-2.3	112.1	N391 S392 L398 N399	N391-R395 VanDerWaalsContact O-CB 3.26Å; N391-R395 WeakPolarHBondContact O-CB 3.49Å; N391-R395 WeakPolarHBondContact O-CD 3.42Å; N391-R395 WeakPolarHBondContact O-CG 3.48Å; N391-R395 PolarHBondContact O-N 3.07Å; S392-R395 CarbonylContact O-C 3.58Å; S392-R395 PolarHBondContact O-N 3.45Å; R395-L398 PolarHBondContact O-N 3.11Å; R395-N399 WeakPolarHBondContact O-CB 3.3Å; R395-N399 PolarHBondContact O-N 2.77Å; R395-N399 PolarHBondContact O-ND2 2.74Å
396	E	53.3	Low	45.3	Very low	134 Å²	134	101.5 Å²	101.5	63%	0.626	53%	0.525	S	S	*	.	H	α-helix	trans	-70.7	-43.7	175.3	-172.3	168.1	-146.1	0	0	110.6	S392 E393 L398 N399 K400	S392-E396 VanDerWaalsContact O-CB 3.28Å; S392-E396 WeakPolarHBondContact O-CB 3.23Å; S392-E396 PolarHBondContact O-N 3.24Å; E393-E396 PolarHBondContact O-N 3.22Å; E396-L398 VanDerWaalsContact C-N 3.34Å; E396-L398 PolarHBondContact O-N 2.97Å; E396-N399 PolarHBondContact O-N 3.16Å; E396-K400 WeakPolarHBondContact O-CB 3.14Å; E396-K400 PolarHBondContact O-N 2.76Å
397	R	45.3	Very low	44.3	Very low	139 Å²	139	106 Å²	106	53%	0.525	54%	0.539	S	S	.	.	H	α-helix	trans	-62	-37.3	168.1	-71.7	167.2	-179.6	-140.6	8.4	111.8	E393 K400 I401	E393-R397 HydrophobicContact CG-CG 4.49Å; E393-R397 WeakPolarHBondContact O-CB 3.42Å; E393-R397 WeakPolarHBondContact O-CD 3.18Å; E393-R397 WeakPolarHBondContact O-CG 3.34Å; E393-R397 PolarHBondContact O-N 2.72Å; E393-R397 IonicContact OE1-CZ 3.18Å; E393-R397 IonicContact OE1-NE 2.92Å; E393-R397 PolarHBondContact OE1-NE 2.72Å; E393-R397 IonicContact OE1-NH2 2.65Å; E393-R397 PolarHBondContact OE1-NH2 2.78Å; R397-K400 PolarHBondContact O-N 2.79Å; R397-I401 WeakPolarHBondContact O-CB 3.36Å; R397-I401 WeakPolarHBondContact O-CD1 3.45Å; R397-I401 WeakPolarHBondContact O-CG1 3.48Å; R397-I401 PolarHBondContact O-N 3.44Å
398	L	39.6	Very low	43.7	Very low	84 Å²	84	109 Å²	109	44%	0.44	56%	0.555	S	S	.	*	H	α-helix	trans	-69.8	-41.7	176	-174.3	69.8	0	0	0	111.4	L394 R395 E396 K400 I401 H402	L394-L398 WeakPolarHBondContact O-CB 3.01Å; L394-L398 PolarHBondContact O-N 3.02Å; R395-L398 PolarHBondContact O-N 3.11Å; E396-L398 VanDerWaalsContact C-N 3.34Å; E396-L398 PolarHBondContact O-N 2.97Å; L398-K400 VanDerWaalsContact C-N 3.32Å; L398-I401 CarbonylContact O-C 3.57Å; L398-I401 PolarHBondContact O-N 3.41Å; L398-H402 WeakPolarHBondContact O-CB 3.15Å; L398-H402 PolarHBondContact O-CD2 2.98Å; L398-H402 PolarHBondContact O-N 3.06Å
399	N	42.7	Very low	42.8	Very low	105 Å²	105	110.8 Å²	110.8	56%	0.561	56%	0.564	S	S	*	*	H	α-helix	trans	-65.4	-36.2	172.4	-73.4	-14.1	0	0	0	111.6	R395 E396 H402 A403	R395-N399 WeakPolarHBondContact O-CB 3.3Å; R395-N399 PolarHBondContact O-N 2.77Å; R395-N399 PolarHBondContact O-ND2 2.74Å; E396-N399 PolarHBondContact O-N 3.16Å; N399-H402 PolarHBondContact O-N 3.38Å; N399-A403 WeakPolarHBondContact O-CB 3.08Å; N399-A403 PolarHBondContact O-N 3.03Å
400	K	43.1	Very low	41.5	Very low	118 Å²	118	113.9 Å²	113.9	51%	0.513	58%	0.58	S	S	.	*	H	α-helix	trans	-68.8	-39.3	173.9	-163.2	170.5	-173.8	-73.2	0	111.1	E396 R397 L398 A403 E404	E396-K400 WeakPolarHBondContact O-CB 3.14Å; E396-K400 PolarHBondContact O-N 2.76Å; R397-K400 PolarHBondContact O-N 2.79Å; L398-K400 VanDerWaalsContact C-N 3.32Å; K400-A403 PolarHBondContact O-N 2.79Å; K400-E404 IonicContact NZ-OE1 2.6Å; K400-E404 PolarHBondContact NZ-OE1 3.13Å; K400-E404 IonicContact NZ-OE2 3.95Å; K400-E404 VanDerWaalsContact O-CB 3.24Å; K400-E404 WeakPolarHBondContact O-CB 3.1Å; K400-E404 WeakPolarHBondContact O-CG 3.45Å; K400-E404 PolarHBondContact O-N 3.07Å
401	I	39.2	Very low	40.6	Very low	96 Å²	96	113.7 Å²	113.7	49%	0.492	59%	0.592	S	S	.	*	H	α-helix	trans	-62.6	-40.7	168.9	-74.1	162	0	0	0	110.7	R397 L398 A403 E404 S405	R397-I401 WeakPolarHBondContact O-CB 3.36Å; R397-I401 WeakPolarHBondContact O-CD1 3.45Å; R397-I401 WeakPolarHBondContact O-CG1 3.48Å; R397-I401 PolarHBondContact O-N 3.44Å; L398-I401 CarbonylContact O-C 3.57Å; L398-I401 PolarHBondContact O-N 3.41Å; I401-A403 VanDerWaalsContact C-N 3.33Å; I401-A403 PolarHBondContact O-N 3.07Å; I401-E404 CarbonylContact O-C 3.5Å; I401-E404 PolarHBondContact O-N 3.4Å; I401-S405 WeakPolarHBondContact O-CA 3.28Å; I401-S405 WeakPolarHBondContact O-CB 3.28Å; I401-S405 PolarHBondContact O-N 3.48Å; I401-S405 PolarHBondContact O-OG 3.4Å
402	H	39.4	Very low	39.9	Very low	101 Å²	101	118.1 Å²	118.1	47%	0.468	61%	0.614	S	S	.	*	H	α-helix	trans	-66.9	-32.4	176.1	-66.8	168.3	0	0	0	112.8	L398 N399 S405	L398-H402 WeakPolarHBondContact O-CB 3.15Å; L398-H402 PolarHBondContact O-CD2 2.98Å; L398-H402 PolarHBondContact O-N 3.06Å; N399-H402 PolarHBondContact O-N 3.38Å; H402-S405 WeakPolarHBondContact CA-OG 3.48Å; H402-S405 PolarHBondContact O-OG 3.47Å
403	A	40.1	Very low	38.9	Very low	69 Å²	69	122.1 Å²	122.1	57%	0.57	63%	0.628	S	S	*	*	H	α-helix	trans	-75.8	-38.9	172.8	0	0	0	0	0	112.2	N399 K400 I401 Q406	N399-A403 WeakPolarHBondContact O-CB 3.08Å; N399-A403 PolarHBondContact O-N 3.03Å; K400-A403 PolarHBondContact O-N 2.79Å; I401-A403 VanDerWaalsContact C-N 3.33Å; I401-A403 PolarHBondContact O-N 3.07Å; A403-Q406 PolarHBondContact O-N 3.44Å
404	E	37.4	Very low	37.7	Very low	125 Å²	125	125.3 Å²	125.3	58%	0.584	65%	0.648	S	S	*	*	H	α-helix	trans	-77.2	-20.3	177.1	-71.1	170.3	169.4	0	0	112.5	K400 I401 Q406	K400-E404 IonicContact NZ-OE1 2.6Å; K400-E404 PolarHBondContact NZ-OE1 3.13Å; K400-E404 IonicContact NZ-OE2 3.95Å; K400-E404 VanDerWaalsContact O-CB 3.24Å; K400-E404 WeakPolarHBondContact O-CB 3.1Å; K400-E404 WeakPolarHBondContact O-CG 3.45Å; K400-E404 PolarHBondContact O-N 3.07Å; I401-E404 CarbonylContact O-C 3.5Å; I401-E404 PolarHBondContact O-N 3.4Å; E404-Q406 VanDerWaalsContact C-N 3.29Å
405	S	33.6	Very low	36.9	Very low	84 Å²	84	128 Å²	128	59%	0.587	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-1.4	171.6	70	0	0	0	0	113.4	I401 H402 I407	I401-S405 WeakPolarHBondContact O-CA 3.28Å; I401-S405 WeakPolarHBondContact O-CB 3.28Å; I401-S405 PolarHBondContact O-N 3.48Å; I401-S405 PolarHBondContact O-OG 3.4Å; H402-S405 WeakPolarHBondContact CA-OG 3.48Å; H402-S405 PolarHBondContact O-OG 3.47Å; S405-I407 PolarHBondContact O-N 3.48Å
406	Q	36.8	Very low	36.3	Very low	162 Å²	162	125.6 Å²	125.6	76%	0.757	67%	0.669	S	S	*	*			trans	-89.6	77.4	161.5	-74.3	-163.3	-16.9	0	0	110.1	A403 E404	A403-Q406 PolarHBondContact O-N 3.44Å; E404-Q406 VanDerWaalsContact C-N 3.29Å
407	I	32.3	Very low	35	Very low	148 Å²	148	123.5 Å²	123.5	76%	0.759	67%	0.674	S	S	*	*	S	Bend	trans	-165.9	138.1	141.1	-102.8	150.9	0	0	0	112.1	S405	S405-I407 PolarHBondContact O-N 3.48Å
408	V	32.6	Very low	34.7	Very low	100 Å²	100	122.3 Å²	122.3	61%	0.606	68%	0.684	S	S	*	*			trans	-0.2	142.5	156.4	-164.9	0	0	0	0	119.5
409	E	33.5	Very low	34.1	Very low	175 Å²	175	123.8 Å²	123.8	82%	0.818	70%	0.697	S	S	*	*			trans	-40.7	139.1	166.4	-164.4	169.4	-138.8	0	0	115.2	S411	E409-S411 PolarHBondContact O-N 3.37Å
410	P	30.8	Very low	33.4	Very low	125 Å²	125	126.8 Å²	126.8	81%	0.812	71%	0.707	S	S	*	*			trans	-80.2	115.8	-175.5	30.7	-33.9	0	0	0	112.8
411	S	29.8	Very low	32.6	Very low	115 Å²	115	130 Å²	130	80%	0.804	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-73.3	148.8	171.1	52.9	0	0	0	0	112.6	E409	E409-S411 PolarHBondContact O-N 3.37Å
412	L	30.1	Very low	32	Very low	172 Å²	172	132.3 Å²	132.3	90%	0.901	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-66.9	139.8	-169.6	-72.6	163.5	0	0	0	114.1
413	I	32.4	Very low	31.4	Very low	158 Å²	158	133.9 Å²	133.9	81%	0.81	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-76.3	125	166.4	-61.4	174.6	0	0	0	109	L415	I413-L415 HydrophobicContact CG2-CD1 4.49Å
414	N	27.8	Very low	30.9	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-102.3	119.4	175	-119	-22.2	0	0	0	110.5
415	L	27.6	Very low	30.5	Very low	153 Å²	153	134.9 Å²	134.9	80%	0.801	76%	0.764	S	S	*	*			trans	-152.1	156.7	162.9	-96.5	133.6	0	0	0	108.6	I413	I413-L415 HydrophobicContact CG2-CD1 4.49Å
416	P	34.8	Very low	30.2	Very low	119 Å²	119	140.3 Å²	140.3	77%	0.773	78%	0.78	S	S	*	*			trans	-85.6	164.8	-147.8	31.7	-36.9	0	0	0	117.2
417	A	26.9	Very low	29.7	Very low	89 Å²	89	139.7 Å²	139.7	74%	0.736	78%	0.782	S	S	*	*			trans	-42.8	166.8	170.8	0	0	0	0	0	115.6
418	P	38.6	Very low	30.5	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	77%	0.773	S	S	*	*			cis	-158.3	178.5	33.6	46.8	-25.4	0	0	0	122
419	V	27	Very low	30.3	Very low	115 Å²	115	140.5 Å²	140.5	70%	0.697	78%	0.783	S	S	*	*			trans	90.7	126	150	177.9	0	0	0	0	122
420	Q	27.1	Very low	31.1	Very low	168 Å²	168	137.4 Å²	137.4	79%	0.785	78%	0.778	S	S	*	*			trans	81.5	118.1	152.4	-83.5	158.4	20.6	0	0	124.4
421	K	27.4	Very low	30.9	Very low	184 Å²	184	139.7 Å²	139.7	80%	0.8	78%	0.783	S	S	*	*				44	142.4	127.6	-70	-171.9	174.4	-167.9	0	120.2
422	Q	26.7	Very low	30.7	Very low	146 Å²	146	139.6 Å²	139.6	68%	0.682	78%	0.777	S	S	*	*			cis	-167.5	171	27.7	-130.9	178.4	-74.7	0	0	112.5
423	D	27	Very low	30.6	Very low	133 Å²	133	139 Å²	139	71%	0.711	77%	0.77	S	S	*	*			trans	6.9	154.1	148.3	-46.2	-23.6	0	0	0	121.3
424	S	28.3	Very low	30.3	Very low	123 Å²	123	140.2 Å²	140.2	86%	0.86	77%	0.772	S	S	*	*			cis	-161.7	-178.3	8.4	43.7	0	0	0	0	112.9
425	A	29.7	Very low	30.2	Very low	93 Å²	93	138 Å²	138	77%	0.769	76%	0.764	S	S	*	*			trans	-84.4	169.6	-173.9	0	0	0	0	0	117.1
426	E	27.6	Very low	30.2	Very low	198 Å²	198	136.2 Å²	136.2	93%	0.925	76%	0.764	S	S	*	*				-177.7	174.4	125.9	-102.9	-179	179.8	0	0	114.5
427	D	25.8	Very low	29.8	Very low	148 Å²	148	137.3 Å²	137.3	79%	0.791	76%	0.763	S	S	*	*			trans	-152.4	172.6	-170.2	-148.4	12.5	0	0	0	107.2
428	P	47.9	Very low	29.9	Very low	87 Å²	87	139.8 Å²	139.8	57%	0.565	76%	0.76	S	S	*	*			cis	-133.1	-152.9	-26.2	32	-8	0	0	0	112.9
429	H	29.4	Very low	29.4	Very low	178 Å²	178	138.6 Å²	138.6	82%	0.824	75%	0.754	S	S	*	*			trans	104.4	155.5	146.3	-77.4	-16.7	0	0	0	123.4
430	P	49.5	Very low	29.4	Very low	110 Å²	110	143.2 Å²	143.2	71%	0.714	76%	0.759	S	S	*	*			trans	-126.4	-169.1	-150.2	46.2	-32.7	0	0	0	116.2
431	L	27.1	Very low	29.3	Very low	174 Å²	174	140.3 Å²	140.3	91%	0.911	76%	0.763	S	S	*	*			trans	-155	170.5	163.5	-110.5	171.3	0	0	0	114.5
432	V	26.6	Very low	29.2	Very low	113 Å²	113	136.7 Å²	136.7	69%	0.685	76%	0.761	S	S	*	*			trans	-146.4	168.9	-161	-171.7	0	0	0	0	113.2
433	H	28.1	Very low	29.1	Very low	160 Å²	160	136 Å²	136	74%	0.741	77%	0.767	S	S	*	*			trans	79.2	157.6	172.1	-70.9	-78.5	0	0	0	117.1
434	Q	26.1	Very low	28.9	Very low	182 Å²	182	133.6 Å²	133.6	85%	0.85	77%	0.765	S	S	*	*			cis	-127.1	157.6	5.2	-59.7	170	-75.9	0	0	109.1
435	V	25.4	Very low	28.8	Very low	110 Å²	110	136.1 Å²	136.1	67%	0.667	76%	0.763	S	S	*	*			cis	78.7	112.1	35.3	-175.2	0	0	0	0	116.1
436	S	26.3	Very low	28.5	Very low	116 Å²	116	136 Å²	136	81%	0.811	76%	0.757	S	S	*	*			trans	-152	140.6	155	52.1	0	0	0	0	111.1
437	N	27	Very low	28.4	Very low	142 Å²	142	134 Å²	134	76%	0.759	75%	0.752	S	S	*	*			trans	-103.7	-169.1	175.3	-43.2	-39.9	0	0	0	109.9
438	E	28.5	Very low	28.4	Very low	141 Å²	141	130.8 Å²	130.8	66%	0.659	74%	0.741	S	S	*	*			cis	-153.6	-164.4	2.3	-133.3	-159.2	-95	0	0	106.6	R440	E438-R440 WeakPolarHBondContact OE2-CD 3.39Å; E438-R440 VanDerWaalsContact OE2-CG 3.31Å; E438-R440 WeakPolarHBondContact OE2-CG 3.35Å
439	S	29.1	Very low	27.5	Very low	89 Å²	89	134.4 Å²	134.4	62%	0.622	75%	0.75	S	S	*	*			cis	-151.7	129.8	11.6	-165	0	0	0	0	113.4
440	R	26.1	Very low	27.4	Very low	213 Å²	213	132.6 Å²	132.6	80%	0.804	74%	0.74	S	S	*	*			trans	24	125.1	135	-52.4	161.2	62.4	92.8	0	120.8	E438	E438-R440 WeakPolarHBondContact OE2-CD 3.39Å; E438-R440 VanDerWaalsContact OE2-CG 3.31Å; E438-R440 WeakPolarHBondContact OE2-CG 3.35Å
441	A	26.4	Very low	26.2	Very low	106 Å²	106	135 Å²	135	88%	0.876	74%	0.74	S	S	*	*			trans	-148.8	157.1	140.3	0	0	0	0	0	109.7
442	S	23.9	Very low	26.2	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	73%	0.733	S	S	*	*			trans	-159.3	-177.8	-167.7	58.5	0	0	0	0	113.8
443	V	25.6	Very low	26.2	Very low	132 Å²	132	131.9 Å²	131.9	80%	0.8	73%	0.731	S	S	*	*			trans	83.8	110.4	179.8	-172.2	0	0	0	0	112.3
444	A	22.6	Very low	26	Very low	82 Å²	82	131.4 Å²	131.4	68%	0.678	73%	0.729	S	S	*	*				69.6	152.1	75	0	0	0	0	0	113.9
445	E	25.4	Very low	26	Very low	175 Å²	175	130.3 Å²	130.3	82%	0.818	72%	0.724	S	S	*	*			cis	-147.8	142.7	4.4	-120.7	175.5	123.5	0	0	107.4
446	S	24.4	Very low	25.9	Very low	91 Å²	91	129.5 Å²	129.5	64%	0.636	72%	0.719	S	S	*	*				73.7	161.1	93.7	-163.5	0	0	0	0	116.9
447	L	24.9	Very low	25.8	Very low	156 Å²	156	132.4 Å²	132.4	82%	0.817	73%	0.725	S	S	*	*			trans	70.4	144.2	173.8	-51.4	-179.2	0	0	0	118
448	S	26.9	Very low	25.7	Very low	80 Å²	80	132.2 Å²	132.2	56%	0.559	72%	0.723	S	S	*	*			cis	173.7	156.1	-40.4	45.3	0	0	0	0	108.9
449	E	29	Very low	25.6	Very low	163 Å²	163	130.6 Å²	130.6	76%	0.762	73%	0.727	S	S	*	*			trans	66.5	159.3	152.9	-74.1	168.8	-159.7	0	0	118.1
450	F	26.2	Very low	25.4	Very low	141 Å²	141	131 Å²	131	62%	0.618	74%	0.736	S	S	*	*			cis	-156.1	166.1	-5.5	-132.4	-58.7	0	0	0	109.6
451	F	25.8	Very low	25.3	Very low	160 Å²	160	126.4 Å²	126.4	70%	0.702	74%	0.736	S	S	*	*			trans	69	144.2	150.4	-70.6	-50.1	0	0	0	119.5
452	D	27	Very low	25.2	Very low	145 Å²	145	127 Å²	127	78%	0.775	73%	0.734	S	S	*	*			cis	-154.6	176.1	-16.7	-150.3	-10.1	0	0	0	111.1
453	A	24.8	Very low	25.3	Very low	76 Å²	76	126.2 Å²	126.2	63%	0.628	73%	0.728	S	S	*	*			trans	-89.4	161.3	-176.7	0	0	0	0	0	115.6
454	Q	24.2	Very low	25.4	Very low	150 Å²	150	127.7 Å²	127.7	70%	0.701	73%	0.726	S	S	*	*			trans	169.2	122.4	130.1	-141.1	63.5	50.2	0	0	106.1
455	E	25.8	Very low	25.7	Very low	159 Å²	159	131.4 Å²	131.4	74%	0.743	74%	0.735	S	S	*	*				52.3	142.2	75.3	-113.6	-177.6	-145.6	0	0	113.2
456	V	23.8	Very low	25.8	Very low	94 Å²	94	132.5 Å²	132.5	57%	0.57	74%	0.74	S	S	*	*			cis	-147.9	157.8	22.7	-173.7	0	0	0	0	108.8	L458	V456-L458 HydrophobicContact CG1-CD1 4.3Å; V456-L458 HydrophobicContact CG1-CG 3.99Å
457	L	24.4	Very low	26	Very low	177 Å²	177	132.6 Å²	132.6	93%	0.927	75%	0.746	S	S	*	*			trans	-158.1	131.3	132.3	-112.2	-180	0	0	0	112.4
458	L	24.7	Very low	26.1	Very low	138 Å²	138	130.1 Å²	130.1	72%	0.723	74%	0.742	S	S	*	*			trans	-92.5	149	-166.3	-73.7	154.2	0	0	0	114.4	V456	V456-L458 HydrophobicContact CG1-CD1 4.3Å; V456-L458 HydrophobicContact CG1-CG 3.99Å
459	S	26.7	Very low	26.2	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	75%	0.753	S	S	*	*			trans	24.3	130.8	135.5	-46.9	0	0	0	0	122
460	A	25.3	Very low	26.1	Very low	97 Å²	97	133 Å²	133	80%	0.802	76%	0.756	S	S	*	*			trans	-136	117.7	130.9	0	0	0	0	0	106
461	S	23.8	Very low	26.1	Very low	116 Å²	116	132.6 Å²	132.6	81%	0.811	76%	0.761	S	S	*	*				76.8	107.9	51	-166.1	0	0	0	0	113.5
462	S	25.2	Very low	26.2	Very low	120 Å²	120	130 Å²	130	84%	0.839	76%	0.763	S	S	*	*			trans	-156.8	142.6	149.3	-169.3	0	0	0	0	108.3
463	S	25.3	Very low	26.2	Very low	91 Å²	91	132.5 Å²	132.5	64%	0.636	76%	0.763	S	S	*	*			trans	-115.5	-168.9	178.2	41.4	0	0	0	0	108.5
464	E	28.4	Very low	26.3	Very low	163 Å²	163	134.9 Å²	134.9	76%	0.762	76%	0.764	S	S	*	*			cis	-150.3	144.7	19.7	-61.9	167.9	153.1	0	0	110.4
465	N	27.8	Very low	26.3	Very low	161 Å²	161	132.1 Å²	132.1	86%	0.861	76%	0.761	S	S	*	*			trans	150.4	150.8	134.5	-75.6	-15	0	0	0	115.7
466	E	28.5	Very low	26.3	Very low	197 Å²	197	131.3 Å²	131.3	92%	0.921	76%	0.762	S	S	*	*			trans	-121.3	148.7	-174.8	-58.5	175.1	135	0	0	112.2
467	A	27.9	Very low	26.5	Very low	93 Å²	93	135.1 Å²	135.1	77%	0.769	78%	0.777	S	S	*	*			trans	-161.5	112.5	150.6	0	0	0	0	0	105.2
468	S	26.7	Very low	26.5	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	76%	0.761	S	S	*	*				77	144	66.9	-157.6	0	0	0	0	112.8
469	D	29.4	Very low	26.6	Very low	145 Å²	145	130.3 Å²	130.3	78%	0.775	76%	0.759	S	S	*	*			trans	71.8	104.5	172.8	-48	7.3	0	0	0	112.9
470	D	26.2	Very low	26.6	Very low	157 Å²	157	131.6 Å²	131.6	84%	0.84	76%	0.758	S	S	*	*			cis	104	139.7	16.5	-154.2	23.3	0	0	0	115.5
471	D	27.5	Very low	26.6	Very low	134 Å²	134	133.9 Å²	133.9	72%	0.717	76%	0.761	S	S	*	*			trans	62.6	139.2	165.6	-125.3	-15.4	0	0	0	124.8
472	S	27.1	Very low	26.7	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	75%	0.752	S	S	*	*			trans	76.4	152.3	149	79	0	0	0	0	122.9
473	Y	27.5	Very low	26.8	Very low	198 Å²	198	134.4 Å²	134.4	78%	0.776	75%	0.75	S	S	*	*			cis	-177.9	123.6	-27.2	175.8	-111.7	0	0	0	111
474	I	25.6	Very low	26.8	Very low	126 Å²	126	135.9 Å²	135.9	65%	0.646	75%	0.75	S	S	*	*			trans	64	160.3	159.5	-79.2	-164.8	0	0	0	116.1
475	S	25.9	Very low	26.8	Very low	92 Å²	92	134.8 Å²	134.8	64%	0.643	75%	0.749	S	S	*	*			cis	-133.8	153.5	4	53.9	0	0	0	0	113.9
476	D	24.9	Very low	26.6	Very low	142 Å²	142	136.2 Å²	136.2	76%	0.759	75%	0.749	S	S	*	*			trans	-45.2	149.3	150.4	-42.7	-88	0	0	0	114.9
477	I	27.6	Very low	26.5	Very low	174 Å²	174	132.4 Å²	132.4	89%	0.892	74%	0.743	S	S	*	*			trans	-135.9	138	138	-66.4	-171.6	0	0	0	107.4
478	S	25.1	Very low	26.5	Very low	85 Å²	85	135.3 Å²	135.3	59%	0.594	75%	0.746	S	S	*	*			trans	-108.2	-177.7	-172.3	50.4	0	0	0	0	113.4
479	D	26.2	Very low	26.6	Very low	128 Å²	128	139.8 Å²	139.8	68%	0.684	76%	0.756	S	S	*	*			trans	77.9	153.9	154.8	-60.2	-58.5	0	0	0	120.1
480	N	26.2	Very low	26.5	Very low	134 Å²	134	139.2 Å²	139.2	72%	0.717	76%	0.758	S	S	*	*			cis	-176.7	107.3	-44.2	-116.4	-42.5	0	0	0	108.8
481	V	27	Very low	26.7	Very low	145 Å²	145	140.5 Å²	140.5	88%	0.879	76%	0.758	S	S	*	*			trans	-151.5	115.7	159.4	-168	0	0	0	0	106.6
482	S	24.5	Very low	26.8	Very low	87 Å²	87	139.3 Å²	139.3	61%	0.608	76%	0.761	S	S	*	*			cis	95.1	86.4	23.9	-168.9	0	0	0	0	115.7
483	M	28.4	Very low	26.9	Very low	161 Å²	161	142.8 Å²	142.8	79%	0.793	77%	0.765	S	S	*	*			trans	70.1	151.4	144.9	-62.2	-168.4	120.2	0	0	117.4
484	D	25.4	Very low	27.1	Very low	121 Å²	121	143 Å²	143	65%	0.647	76%	0.764	S	S	*	*			cis	-157.5	177.2	-0.6	-134.9	-16.9	0	0	0	114.8
485	N	27.3	Very low	27.9	Very low	140 Å²	140	142.4 Å²	142.4	75%	0.749	77%	0.769	S	S	*	*			trans	93.3	154.9	142.8	-107.7	-29.1	0	0	0	123.3
486	F	24.4	Very low	28	Very low	192 Å²	192	146 Å²	146	84%	0.842	78%	0.781	S	S	*	*			trans	-96.2	148.1	-170.8	-68.6	-113.3	0	0	0	113.7
487	S	26.1	Very low	28.5	Very low	116 Å²	116	144 Å²	144	81%	0.811	78%	0.784	S	S	*	*			trans	-162.1	131.3	131.6	52.9	0	0	0	0	111.2
488	N	28	Very low	28.6	Very low	155 Å²	155	139.5 Å²	139.5	83%	0.829	78%	0.781	S	S	*	*			trans	-77	141.7	157.3	-67.9	-21.3	0	0	0	108
489	E	28.1	Very low	28.8	Very low	199 Å²	199	140.8 Å²	140.8	93%	0.93	79%	0.79	S	S	*	*			trans	-158.9	164.7	136.9	-121.8	162.1	-142.5	0	0	111.1
490	T	28.8	Very low	29.4	Very low	133 Å²	133	141.3 Å²	141.3	82%	0.816	80%	0.798	S	S	*	*			trans	-129.3	127.9	-167.5	-38	0	0	0	0	108.7
491	E	28.5	Very low	29.7	Very low	183 Å²	183	143.4 Å²	143.4	86%	0.855	80%	0.803	S	S	*	*			trans	-171.2	137.3	137.1	-111	173.8	-165	0	0	115.2
492	S	29.6	Very low	30.2	Very low	110 Å²	110	146 Å²	146	77%	0.769	81%	0.805	S	S	*	*			trans	23.1	127.5	141	-54.6	0	0	0	0	122.3
493	E	30.4	Very low	30.5	Very low	177 Å²	177	145.2 Å²	145.2	83%	0.827	81%	0.811	S	S	*	*			trans	-63.6	158.4	163	-43.8	173.1	128.8	0	0	113.2
494	R	32.2	Very low	31.2	Very low	202 Å²	202	143 Å²	143	76%	0.762	81%	0.812	S	S	*	*				-172.8	164.4	112.6	-98.4	176.3	-179.9	-166.8	-1	112.5
495	P	42.6	Very low	31.9	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	82%	0.816	S	S	*	*			trans	-106.5	168.2	-136.7	40.3	-39.7	0	0	0	115.4
496	N	27.1	Very low	33	Very low	169 Å²	169	142.5 Å²	142.5	90%	0.904	82%	0.821	S	S	*	*			trans	-147	165.8	145.5	-128.3	-36.9	0	0	0	111.8
497	A	34.5	Very low	34.6	Very low	98 Å²	98	136.4 Å²	136.4	81%	0.81	80%	0.801	S	S	*	*			trans	-79	142.2	-162.7	0	0	0	0	0	115.6
498	G	30.5	Very low	37.3	Very low	81 Å²	81	137 Å²	137	84%	0.835	80%	0.8	S	S	*	*			trans	114.8	58.7	137.3	0	0	0	0	0	119.9
499	S	29.1	Very low	40.3	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	77%	0.771	S	S	*	*			trans	-149.5	155.9	154.6	52.6	0	0	0	0	111.3
500	V	39.4	Very low	43.4	Very low	140 Å²	140	124.7 Å²	124.7	85%	0.848	73%	0.733	S	S	*	*			trans	-98.1	116.8	177.2	176.7	0	0	0	0	108.9
501	E	31.6	Very low	46.3	Very low	177 Å²	177	122.8 Å²	122.8	83%	0.827	73%	0.725	S	S	*	*			trans	-137.3	138.6	164.8	-67.6	-166.6	151	0	0	109.7	G503	E501-G503 PolarHBondContact O-N 3.15Å
502	E	37.9	Very low	49.5	Very low	200 Å²	200	116.7 Å²	116.7	94%	0.935	70%	0.702	S	S	*	*			trans	-82.7	81.9	-173.8	-70.6	-179.4	107.1	0	0	111.9
503	G	31.2	Very low	52.6	Low	70 Å²	70	111.7 Å²	111.7	72%	0.722	67%	0.667	S	S	*	*			trans	-68.7	129.7	170.2	0	0	0	0	0	112.4	E501 A505	E501-G503 PolarHBondContact O-N 3.15Å; G503-A505 PolarHBondContact O-N 3.02Å
504	S	41.6	Very low	55.6	Low	116 Å²	116	107.1 Å²	107.1	81%	0.811	65%	0.653	S	S	*	*			trans	-48.8	106.5	-179.3	171.1	0	0	0	0	113.5	L506	S504-L506 PolarHBondContact O-N 3.5Å
505	A	42	Very low	58.6	Low	90 Å²	90	99.9 Å²	99.9	74%	0.744	63%	0.631	S	S	*	*			trans	-62.4	124.7	175.3	0	0	0	0	0	111.7	G503 C507	G503-A505 PolarHBondContact O-N 3.02Å; A505-C507 PolarHBondContact O-N 3.2Å
506	L	50.3	Low	61	Low	160 Å²	160	97.6 Å²	97.6	84%	0.838	62%	0.616	S	S	*	*			trans	-71.5	88.6	172.9	-75.6	166.4	0	0	0	110.1	S504 T508	S504-L506 PolarHBondContact O-N 3.5Å; L506-T508 PolarHBondContact O-N 2.94Å; L506-T508 PolarHBondContact O-OG1 3.03Å; L506-T508 VanDerWaalsContact O-OG1 3.06Å
507	C	57.9	Low	64	Low	64 Å²	64	91 Å²	91	43%	0.432	58%	0.583	S	S	.	*			trans	-50.7	108	174.6	173	0	0	0	0	110.3	A505 R509 E793	A505-C507 PolarHBondContact O-N 3.2Å; C507-R509 PolarHBondContact O-N 3.05Å; C507-E793 PolarHBondContact SG-OE1 2.74Å
508	T	81.4	Confident	66.4	Low	128 Å²	128	87.6 Å²	87.6	79%	0.785	55%	0.553	S	S	*	*			trans	-92.7	85.5	-175	-61.6	0	0	0	0	108.9	L506	L506-T508 PolarHBondContact O-N 2.94Å; L506-T508 PolarHBondContact O-OG1 3.03Å; L506-T508 VanDerWaalsContact O-OG1 3.06Å
509	R	91.3	Very high	68.5	Low	57 Å²	57	89.4 Å²	89.4	22%	0.215	55%	0.548	C	S	.	.			trans	-56.9	143.5	-178.7	-51.6	-177.4	-172.4	-83.8	5.1	112.2	C507 D613 D616 E788 E791	C507-R509 PolarHBondContact O-N 3.05Å; R509-D613 PolarHBondContact NH2-O 2.75Å; R509-D616 IonicContact CZ-OD1 3.63Å; R509-D616 IonicContact NE-OD1 2.63Å; R509-D616 PolarHBondContact NE-OD1 2.87Å; R509-D616 IonicContact NH2-OD1 2.67Å; R509-D616 PolarHBondContact NH2-OD1 3.3Å; R509-E788 HydrophobicContact CB-CB 4.44Å; R509-E788 HydrophobicContact CB-CG 3.81Å; R509-E791 VanDerWaalsContact CA-OE2 3.25Å; R509-E791 WeakPolarHBondContact CA-OE2 3.34Å; R509-E791 WeakPolarHBondContact CB-OE2 3.26Å
510	R	93.9	Very high	70.1	Confident	39 Å²	39	88 Å²	88	15%	0.147	53%	0.532	C	S	.	.			trans	-57.5	146.3	-177.6	65.4	-169.9	-174.6	164.9	6.6	114	I787 E791 E815	R510-I787 HydrophobicContact CG-CG2 4.09Å; R510-I787 PolarHBondContact NE-O 3.41Å; R510-I787 PolarHBondContact NH2-O 3.24Å; R510-E791 WeakPolarHBondContact CB-OE1 3.38Å; R510-E791 HydrophobicContact CG-CB 4.38Å; R510-E791 HydrophobicContact CG-CG 4.34Å; R510-E791 VanDerWaalsContact CG-OE1 3.32Å; R510-E791 WeakPolarHBondContact CG-OE1 3.08Å; R510-E791 PolarHBondContact N-OE1 3.14Å; R510-E791 PolarHBondContact N-OE2 3.44Å; R510-E815 IonicContact CZ-OE1 2.65Å; R510-E815 IonicContact NH1-OE1 3.23Å; R510-E815 PolarHBondContact NH1-OE1 3.34Å; R510-E815 IonicContact NH1-OE2 3.43Å; R510-E815 IonicContact NH2-OE1 2.71Å; R510-E815 PolarHBondContact NH2-OE1 2.76Å
511	S	90.3	Very high	70.9	Confident	92 Å²	92	86.3 Å²	86.3	64%	0.643	53%	0.526	S	S	*	.	S	Bend	trans	-100.6	-7	178.4	56.1	0	0	0	0	114.6
512	C	93.9	Very high	71.9	Confident	56 Å²	56	83.3 Å²	83.3	38%	0.378	52%	0.52	S	S	.	.	S	Bend	trans	-148.2	168.3	177.9	57.3	0	0	0	0	111.7	Y779	C512-Y779 HydrophobicContact CB-CE2 3.79Å
513	L	95.3	Very high	73.1	Confident	4 Å²	4	75.8 Å²	75.8	2%	0.021	49%	0.486	C	S	.	.			trans	-85.5	160.9	167.9	-51.9	-179	0	0	0	110	T515 P549 Y779 Y780 F782 I787 E815	L513-T515 VanDerWaalsContact C-N 3.34Å; L513-T515 PolarHBondContact O-N 2.82Å; L513-P549 HydrophobicContact CD1-CG 4.12Å; L513-Y779 HydrophobicContact CB-CD1 3.66Å; L513-Y779 HydrophobicContact CB-CE1 4Å; L513-Y779 HydrophobicContact CB-CG 4.42Å; L513-Y779 HydrophobicContact CD1-CD1 4.05Å; L513-Y779 HydrophobicContact CD1-CG 4.4Å; L513-Y779 HydrophobicContact CG-CD1 3.89Å; L513-Y779 HydrophobicContact CG-CG 4.21Å; L513-Y780 HydrophobicContact CD1-CD2 3.78Å; L513-Y780 HydrophobicContact CD1-CE2 4.03Å; L513-F782 HydrophobicContact CD1-CD2 4.14Å; L513-F782 HydrophobicContact CD1-CE2 4.06Å; L513-F782 HydrophobicContact CD2-CD2 4.38Å; L513-F782 HydrophobicContact CD2-CE2 4.46Å; L513-I787 HydrophobicContact CD2-CG1 4.43Å; L513-I787 HydrophobicContact CD2-CG2 4.25Å; L513-E815 HydrophobicContact CD2-CG 4.46Å
514	P	93.8	Very high	74.8	Confident	82 Å²	82	75.1 Å²	75.1	53%	0.532	47%	0.47	S	S	.	.	S	Bend	trans	-60.6	-40.7	178.6	-22	33.8	0	0	0	113.2
515	T	94.8	Very high	76.2	Confident	50 Å²	50	70.6 Å²	70.6	31%	0.307	44%	0.436	S	S	.	.	S	Bend	trans	-133.8	142	-174	-58.2	0	0	0	0	110.9	L513 E816	L513-T515 VanDerWaalsContact C-N 3.34Å; L513-T515 PolarHBondContact O-N 2.82Å; T515-E816 WeakPolarHBondContact CB-O 3.38Å; T515-E816 PolarHBondContact OG1-O 2.81Å
516	P	92.9	Very high	77.4	Confident	65 Å²	65	70.5 Å²	70.5	42%	0.422	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-60.1	152.9	171.5	-27.2	37	0	0	0	114	Q778	P516-Q778 CarbonylContact C-O 3.6Å; P516-Q778 VanDerWaalsContact CA-O 3.3Å; P516-Q778 WeakPolarHBondContact CA-O 3.37Å; P516-Q778 HydrophobicContact CB-CB 4.3Å
517	S	90.6	Very high	78.4	Confident	32 Å²	32	67 Å²	67	22%	0.224	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-60.3	142.7	176.7	63.9	0	0	0	0	112.4	Q778	S517-Q778 PolarHBondContact N-O 2.87Å; S517-Q778 PolarHBondContact OG-O 3.17Å
518	P	85.8	Confident	79.1	Confident	25 Å²	25	65.1 Å²	65.1	16%	0.162	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-66.5	149.4	-174.7	29.6	-38.2	0	0	0	113	N520 Y780 L819	P518-N520 PolarHBondContact O-N 3.42Å; P518-N520 VanDerWaalsContact O-N 3.15Å; P518-N520 PolarHBondContact O-ND2 3.05Å; P518-Y780 WeakPolarHBondContact CD-OH 3.32Å; P518-L819 HydrophobicContact CB-CD1 3.86Å; P518-L819 HydrophobicContact CB-CD2 3.98Å; P518-L819 HydrophobicContact CG-CD2 3.94Å
519	T	73.4	Confident	78.4	Confident	119 Å²	119	60.3 Å²	60.3	73%	0.73	35%	0.354	S	S	*	.			trans	-73.1	108.6	177.3	49	0	0	0	0	110.8	S521	T519-S521 PolarHBondContact O-N 2.83Å
520	N	63.8	Low	77.2	Confident	82 Å²	82	63.2 Å²	63.2	44%	0.439	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	17.3	-176.5	-81.3	-77.9	0	0	0	115.4	P518 T522 H545 L546	P518-N520 PolarHBondContact O-N 3.42Å; P518-N520 VanDerWaalsContact O-N 3.15Å; P518-N520 PolarHBondContact O-ND2 3.05Å; N520-T522 PolarHBondContact O-N 3.44Å; N520-H545 PolarHBondContact OD1-O 2.91Å; N520-L546 WeakPolarHBondContact OD1-CD2 3.49Å
521	S	56.1	Low	75.8	Confident	105 Å²	105	66.6 Å²	66.6	73%	0.734	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.5	-172.5	56.6	0	0	0	0	114.4	T519	T519-S521 PolarHBondContact O-N 2.83Å
522	T	51.6	Low	74.4	Confident	113 Å²	113	63.5 Å²	63.5	69%	0.693	36%	0.362	S	S	*	.	S	Bend	trans	-93.3	-28.1	-173	54.5	0	0	0	0	114.1	N520	N520-T522 PolarHBondContact O-N 3.44Å
523	I	63.8	Low	72.6	Confident	43 Å²	43	65.2 Å²	65.2	22%	0.221	37%	0.366	C	S	.	.			trans	-107.9	99.3	-170.1	-67.7	167.8	0	0	0	111	L525 I528 H545 L546	I523-L525 PolarHBondContact O-N 3.17Å; I523-I528 HydrophobicContact CG2-CD1 3.93Å; I523-H545 HydrophobicContact CD1-CB 3.46Å; I523-H545 VanDerWaalsContact CD1-CB 3.46Å; I523-H545 VanDerWaalsContact CD1-CD2 3.4Å; I523-H545 WeakPolarHBondContact CD1-CD2 3.39Å; I523-L546 HydrophobicContact CG2-CD1 4.01Å; I523-L546 HydrophobicContact CG2-CG 4.19Å
524	S	67.3	Low	70.3	Confident	55 Å²	55	69 Å²	69	39%	0.385	41%	0.407	S	S	.	.			trans	-73.2	112.8	174	-173.1	0	0	0	0	111.5	W526 N527 I528	S524-W526 PolarHBondContact O-N 3.05Å; S524-N527 WeakPolarHBondContact O-CB 3.29Å; S524-N527 PolarHBondContact O-N 2.99Å; S524-I528 PolarHBondContact O-N 3.33Å
525	L	69.2	Low	68.5	Low	21 Å²	21	71.1 Å²	71.1	11%	0.11	41%	0.408	C	S	.	.	H	α-helix	trans	-58.5	-27.7	172.3	-176.3	45.4	0	0	0	112.4	I523 N527 I528 L529 M542 L546 I690	I523-L525 PolarHBondContact O-N 3.17Å; L525-N527 VanDerWaalsContact C-N 3.34Å; L525-N527 PolarHBondContact O-N 3.43Å; L525-I528 HydrophobicContact CD1-CB 4.42Å; L525-I528 HydrophobicContact CD1-CD1 4.26Å; L525-I528 PolarHBondContact O-N 2.87Å; L525-L529 HydrophobicContact CD1-CD1 4.08Å; L525-L529 HydrophobicContact CD1-CG 4.33Å; L525-L529 HydrophobicContact CG-CD1 4.01Å; L525-L529 PolarHBondContact O-N 3.42Å; L525-M542 HydrophobicContact CD1-CE 3.47Å; L525-M542 VanDerWaalsContact CD1-CE 3.47Å; L525-L546 HydrophobicContact CD1-CD1 4.07Å; L525-I690 HydrophobicContact CD2-CD1 4.34Å; L525-I690 HydrophobicContact CD2-CG1 3.72Å
526	W	68.8	Low	66.6	Low	88 Å²	88	72.6 Å²	72.6	33%	0.333	41%	0.414	S	S	.	.	H	α-helix	trans	-61.6	-37.9	170.4	178.2	-121.4	0	0	0	112.9	S524 L529 R530 L691	S524-W526 PolarHBondContact O-N 3.05Å; W526-L529 PolarHBondContact O-N 2.87Å; W526-R530 WeakPolarHBondContact O-CB 3.36Å; W526-R530 PolarHBondContact O-N 3.35Å; W526-L691 HydrophobicContact CB-CD2 4.13Å; W526-L691 HydrophobicContact CD2-CD1 4.44Å; W526-L691 HydrophobicContact CE3-CD1 3.46Å; W526-L691 VanDerWaalsContact CE3-CD1 3.46Å; W526-L691 HydrophobicContact CE3-CD2 3.82Å; W526-L691 HydrophobicContact CE3-CG 4.27Å; W526-L691 HydrophobicContact CZ3-CD1 3.67Å
527	N	71.6	Confident	64.5	Low	88 Å²	88	72.7 Å²	72.7	47%	0.471	41%	0.41	S	S	.	.	H	α-helix	trans	-67.3	-40.1	177.4	-70.9	-14.8	0	0	0	111.6	S524 L525 R530 N531	S524-N527 WeakPolarHBondContact O-CB 3.29Å; S524-N527 PolarHBondContact O-N 2.99Å; L525-N527 VanDerWaalsContact C-N 3.34Å; L525-N527 PolarHBondContact O-N 3.43Å; N527-R530 PolarHBondContact O-N 2.85Å; N527-N531 VanDerWaalsContact O-CB 3.3Å; N527-N531 WeakPolarHBondContact O-CB 3.36Å; N527-N531 PolarHBondContact O-N 3Å; N527-N531 PolarHBondContact O-ND2 2.91Å; N527-N531 PolarHBondContact O-OD1 3.35Å
528	I	72.3	Confident	62.7	Low	23 Å²	23	76 Å²	76	12%	0.118	43%	0.433	C	S	.	.	H	α-helix	trans	-63	-47.6	176.7	-60.7	163.6	0	0	0	110.2	I523 S524 L525 N531 N532 V540 M542 P543 L546	I523-I528 HydrophobicContact CG2-CD1 3.93Å; S524-I528 PolarHBondContact O-N 3.33Å; L525-I528 HydrophobicContact CD1-CB 4.42Å; L525-I528 HydrophobicContact CD1-CD1 4.26Å; L525-I528 PolarHBondContact O-N 2.87Å; I528-N531 PolarHBondContact O-N 3.48Å; I528-N532 PolarHBondContact O-N 3.35Å; I528-N532 PolarHBondContact O-ND2 2.94Å; I528-V540 HydrophobicContact CG2-CG1 4.1Å; I528-M542 HydrophobicContact CD1-CE 4.03Å; I528-M542 HydrophobicContact CG2-CE 4.22Å; I528-M542 HydrophobicContact CG2-SD 4.08Å; I528-P543 HydrophobicContact CD1-CG 3.81Å; I528-P543 HydrophobicContact CG1-CG 4.42Å; I528-L546 HydrophobicContact CD1-CD1 3.36Å
529	L	67.1	Low	61.4	Low	28 Å²	28	81.9 Å²	81.9	15%	0.147	46%	0.456	C	S	.	.	H	α-helix	trans	-66.4	-44.1	178.6	-73.4	160.5	0	0	0	111.2	L525 W526 N531 N532 I533 L537 F654 L691	L525-L529 HydrophobicContact CD1-CD1 4.08Å; L525-L529 HydrophobicContact CD1-CG 4.33Å; L525-L529 HydrophobicContact CG-CD1 4.01Å; L525-L529 PolarHBondContact O-N 3.42Å; W526-L529 PolarHBondContact O-N 2.87Å; L529-N531 PolarHBondContact O-N 2.9Å; L529-N532 CarbonylContact O-C 3.53Å; L529-N532 PolarHBondContact O-N 3.35Å; L529-I533 WeakPolarHBondContact O-CG1 3.43Å; L529-I533 PolarHBondContact O-N 2.98Å; L529-I533 VanDerWaalsContact O-N 3.07Å; L529-L537 HydrophobicContact CD2-CD1 4.33Å; L529-L537 HydrophobicContact CD2-CD2 4.29Å; L529-F654 HydrophobicContact CD1-CE2 3.78Å; L529-F654 HydrophobicContact CD1-CZ 3.8Å; L529-F654 HydrophobicContact CD2-CD1 4.4Å; L529-F654 HydrophobicContact CD2-CD2 4.47Å; L529-F654 HydrophobicContact CD2-CE1 4.27Å; L529-F654 HydrophobicContact CD2-CE2 4.35Å; L529-F654 HydrophobicContact CD2-CG 4.49Å; L529-F654 HydrophobicContact CD2-CZ 4.24Å; L529-F654 HydrophobicContact CG-CZ 4.46Å; L529-L691 HydrophobicContact CD1-CD2 3.55Å
530	R	65.9	Low	61	Low	117 Å²	117	77.3 Å²	77.3	44%	0.442	43%	0.428	S	S	.	.	H	α-helix	trans	-54.9	-46.9	175.1	178.9	178	173.5	155.3	5.8	112.2	E39 W526 N527 N532 I533	E39-R530 IonicContact OE1-CZ 2.77Å; E39-R530 VanDerWaalsContact OE1-CZ 3.29Å; E39-R530 IonicContact OE1-NH1 3.36Å; E39-R530 PolarHBondContact OE1-NH1 3.04Å; E39-R530 IonicContact OE1-NH2 3.67Å; E39-R530 PolarHBondContact OE1-NH2 3.07Å; W526-R530 WeakPolarHBondContact O-CB 3.36Å; W526-R530 PolarHBondContact O-N 3.35Å; N527-R530 PolarHBondContact O-N 2.85Å; R530-N532 PolarHBondContact O-N 2.93Å; R530-N532 VanDerWaalsContact O-N 3.15Å; R530-I533 HydrophobicContact CG-CD1 4.46Å; R530-I533 PolarHBondContact O-N 3.27Å
531	N	64.6	Low	61.2	Low	111 Å²	111	76.3 Å²	76.3	59%	0.594	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.6	-178.7	-68.1	-9.8	0	0	0	113.6	N527 I528 L529 K535	N527-N531 VanDerWaalsContact O-CB 3.3Å; N527-N531 WeakPolarHBondContact O-CB 3.36Å; N527-N531 PolarHBondContact O-N 3Å; N527-N531 PolarHBondContact O-ND2 2.91Å; N527-N531 PolarHBondContact O-OD1 3.35Å; I528-N531 PolarHBondContact O-N 3.48Å; L529-N531 PolarHBondContact O-N 2.9Å; N531-K535 PolarHBondContact O-NZ 2.83Å; N531-K535 VanDerWaalsContact O-NZ 3.13Å
532	N	59.3	Low	62.2	Low	26 Å²	26	72.9 Å²	72.9	14%	0.139	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	11.8	179.8	-64.6	-69.8	0	0	0	113.7	I528 L529 R530 G534 K535 L537 V540	I528-N532 PolarHBondContact O-N 3.35Å; I528-N532 PolarHBondContact O-ND2 2.94Å; L529-N532 CarbonylContact O-C 3.53Å; L529-N532 PolarHBondContact O-N 3.35Å; R530-N532 PolarHBondContact O-N 2.93Å; R530-N532 VanDerWaalsContact O-N 3.15Å; N532-G534 PolarHBondContact O-N 3.07Å; N532-K535 HydrophobicContact CB-CD 4.26Å; N532-K535 WeakPolarHBondContact O-CB 3.35Å; N532-K535 PolarHBondContact O-N 3.02Å; N532-K535 WeakPolarHBondContact OD1-CD 3.35Å; N532-K535 WeakPolarHBondContact OD1-CE 3.21Å; N532-K535 PolarHBondContact OD1-NZ 3.26Å; N532-L537 HydrophobicContact CB-CD2 4.13Å; N532-V540 HydrophobicContact CB-CG1 4.38Å; N532-V540 HydrophobicContact CB-CG2 3.6Å; N532-V540 WeakPolarHBondContact ND2-CG1 3.34Å
533	I	56	Low	63.8	Low	92 Å²	92	69 Å²	69	47%	0.472	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	128.7	172.1	-68.4	169.4	0	0	0	110	I37 L529 R530 K535	I37-I533 HydrophobicContact CD1-CD1 3.66Å; L529-I533 WeakPolarHBondContact O-CG1 3.43Å; L529-I533 PolarHBondContact O-N 2.98Å; L529-I533 VanDerWaalsContact O-N 3.07Å; R530-I533 HydrophobicContact CG-CD1 4.46Å; R530-I533 PolarHBondContact O-N 3.27Å; I533-K535 VanDerWaalsContact C-N 3.25Å; I533-K535 PolarHBondContact O-N 2.86Å
534	G	48	Very low	65	Low	85 Å²	85	67 Å²	67	88%	0.876	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-3	179.8	0	0	0	0	0	115.1	N532	N532-G534 PolarHBondContact O-N 3.07Å
535	K	56	Low	66	Low	126 Å²	126	66.7 Å²	66.7	55%	0.548	36%	0.357	S	S	.	.	S	Bend	trans	-86.3	164.9	163.9	-54.5	-176.4	-160.3	162.7	0	110.1	N531 N532 I533 L537	N531-K535 PolarHBondContact O-NZ 2.83Å; N531-K535 VanDerWaalsContact O-NZ 3.13Å; N532-K535 HydrophobicContact CB-CD 4.26Å; N532-K535 WeakPolarHBondContact O-CB 3.35Å; N532-K535 PolarHBondContact O-N 3.02Å; N532-K535 WeakPolarHBondContact OD1-CD 3.35Å; N532-K535 WeakPolarHBondContact OD1-CE 3.21Å; N532-K535 PolarHBondContact OD1-NZ 3.26Å; I533-K535 VanDerWaalsContact C-N 3.25Å; I533-K535 PolarHBondContact O-N 2.86Å; K535-L537 PolarHBondContact O-N 3.04Å
536	D	53.9	Low	66.8	Low	80 Å²	80	66.1 Å²	66.1	43%	0.428	35%	0.354	S	S	.	.			trans	-68.8	106.4	166.5	179.2	-4.4	0	0	0	109.4	S538 K539	D536-S538 PolarHBondContact O-N 2.79Å; D536-S538 VanDerWaalsContact O-N 3.16Å; D536-S538 WeakPolarHBondContact OD1-CB 3.46Å; D536-S538 PolarHBondContact OD1-N 2.88Å; D536-S538 PolarHBondContact OD1-OG 3.23Å; D536-S538 PolarHBondContact OD2-OG 2.87Å; D536-K539 HydrophobicContact CB-CD 4.22Å; D536-K539 HydrophobicContact CB-CG 4.34Å; D536-K539 PolarHBondContact O-N 3.17Å; D536-K539 WeakPolarHBondContact OD2-CE 3.26Å; D536-K539 IonicContact OD2-NZ 3.13Å
537	L	50.3	Low	67.9	Low	68 Å²	68	62.2 Å²	62.2	36%	0.356	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-64	-17.4	-177.1	-65.7	179	0	0	0	113.3	L529 N532 K535 K539 V540 F654	L529-L537 HydrophobicContact CD2-CD1 4.33Å; L529-L537 HydrophobicContact CD2-CD2 4.29Å; N532-L537 HydrophobicContact CB-CD2 4.13Å; K535-L537 PolarHBondContact O-N 3.04Å; L537-K539 PolarHBondContact O-N 3.13Å; L537-V540 HydrophobicContact CD2-CG2 4.15Å; L537-V540 PolarHBondContact O-N 2.66Å; L537-F654 HydrophobicContact CD1-CB 3.75Å; L537-F654 HydrophobicContact CD1-CD1 3.85Å; L537-F654 HydrophobicContact CD1-CG 4.08Å
538	S	52.1	Low	69	Low	100 Å²	100	58 Å²	58	70%	0.699	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-69.8	-16.8	173.3	72.7	0	0	0	0	113.2	D536	D536-S538 PolarHBondContact O-N 2.79Å; D536-S538 VanDerWaalsContact O-N 3.16Å; D536-S538 WeakPolarHBondContact OD1-CB 3.46Å; D536-S538 PolarHBondContact OD1-N 2.88Å; D536-S538 PolarHBondContact OD1-OG 3.23Å; D536-S538 PolarHBondContact OD2-OG 2.87Å
539	K	58.6	Low	70.2	Confident	150 Å²	150	57 Å²	57	65%	0.652	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-103.5	12.7	-179	-57.9	-178.5	-179	174.8	0	113.2	D536 L537	D536-K539 HydrophobicContact CB-CD 4.22Å; D536-K539 HydrophobicContact CB-CG 4.34Å; D536-K539 PolarHBondContact O-N 3.17Å; D536-K539 WeakPolarHBondContact OD2-CE 3.26Å; D536-K539 IonicContact OD2-NZ 3.13Å; L537-K539 PolarHBondContact O-N 3.13Å
540	V	65.5	Low	71.6	Confident	22 Å²	22	55.6 Å²	55.6	13%	0.133	30%	0.304	C	S	.	.			trans	-92.6	107.8	178.4	178.4	0	0	0	0	109.3	I528 N532 L537 M542	I528-V540 HydrophobicContact CG2-CG1 4.1Å; N532-V540 HydrophobicContact CB-CG1 4.38Å; N532-V540 HydrophobicContact CB-CG2 3.6Å; N532-V540 WeakPolarHBondContact ND2-CG1 3.34Å; L537-V540 HydrophobicContact CD2-CG2 4.15Å; L537-V540 PolarHBondContact O-N 2.66Å; V540-M542 PolarHBondContact O-N 3.05Å
541	T	67.8	Low	73.1	Confident	61 Å²	61	50 Å²	50	37%	0.374	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-59.3	126.6	165.8	-56.9	0	0	0	0	108.9	E830	T541-E830 WeakPolarHBondContact CG2-OE1 3.28Å; T541-E830 WeakPolarHBondContact CG2-OE2 3.33Å; T541-E830 PolarHBondContact OG1-OE2 2.85Å
542	M	76.4	Confident	74.6	Confident	33 Å²	33	46 Å²	46	16%	0.163	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-88.4	143.1	173.3	-64	-58.1	-61.8	0	0	108.7	L525 I528 V540 L546 K600 K826	L525-M542 HydrophobicContact CD1-CE 3.47Å; L525-M542 VanDerWaalsContact CD1-CE 3.47Å; I528-M542 HydrophobicContact CD1-CE 4.03Å; I528-M542 HydrophobicContact CG2-CE 4.22Å; I528-M542 HydrophobicContact CG2-SD 4.08Å; V540-M542 PolarHBondContact O-N 3.05Å; M542-L546 HydrophobicContact CE-CB 4.45Å; M542-L546 HydrophobicContact CE-CD1 3.61Å; M542-K600 HydrophobicContact CG-CD 3.95Å; M542-K826 PolarHBondContact O-NZ 2.86Å
543	P	85.2	Confident	76.4	Confident	32 Å²	32	44.8 Å²	44.8	21%	0.208	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-59	145	168.5	-22.9	34.8	0	0	0	111.4	I528 H545 L546 E823	I528-P543 HydrophobicContact CD1-CG 3.81Å; I528-P543 HydrophobicContact CG1-CG 4.42Å; P543-H545 PolarHBondContact O-N 3.1Å; P543-L546 PolarHBondContact O-N 3.37Å; P543-E823 WeakPolarHBondContact CA-OE2 3.32Å
544	V	89.5	Confident	78.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-59.6	-26	-178.2	78	0	0	0	0	113.4	L546 N547 F602 L814 A822 E823 K826	V544-L546 PolarHBondContact O-N 2.9Å; V544-N547 WeakPolarHBondContact O-CA 3.32Å; V544-N547 WeakPolarHBondContact O-CB 3.44Å; V544-N547 PolarHBondContact O-N 3.12Å; V544-F602 HydrophobicContact CG2-CE1 4.02Å; V544-F602 HydrophobicContact CG2-CZ 3.64Å; V544-L814 HydrophobicContact CG2-CB 4.23Å; V544-L814 HydrophobicContact CG2-CD1 4.37Å; V544-L814 HydrophobicContact CG2-CD2 4.13Å; V544-L814 HydrophobicContact CG2-CG 4.46Å; V544-A822 HydrophobicContact CG1-CB 4.11Å; V544-A822 HydrophobicContact CG2-CB 3.97Å; V544-E823 WeakPolarHBondContact CB-OE2 3.36Å; V544-E823 HydrophobicContact CG1-CB 3.81Å; V544-E823 PolarHBondContact N-OE2 2.71Å; V544-K826 HydrophobicContact CB-CD 4.03Å; V544-K826 HydrophobicContact CG2-CD 4.22Å
545	H	87.1	Confident	80.8	Confident	50 Å²	50	39 Å²	39	23%	0.231	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-61.8	-23.1	175.6	-61.8	61.1	0	0	0	113.7	N520 I523 P543	N520-H545 PolarHBondContact OD1-O 2.91Å; I523-H545 HydrophobicContact CD1-CB 3.46Å; I523-H545 VanDerWaalsContact CD1-CB 3.46Å; I523-H545 VanDerWaalsContact CD1-CD2 3.4Å; I523-H545 WeakPolarHBondContact CD1-CD2 3.39Å; P543-H545 PolarHBondContact O-N 3.1Å
546	L	86.9	Confident	82.8	Confident	9 Å²	9	33.6 Å²	33.6	5%	0.047	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-98.8	4.6	175.6	-62.5	178.4	0	0	0	112.4	N520 I523 L525 I528 M542 P543 V544 K600	N520-L546 WeakPolarHBondContact OD1-CD2 3.49Å; I523-L546 HydrophobicContact CG2-CD1 4.01Å; I523-L546 HydrophobicContact CG2-CG 4.19Å; L525-L546 HydrophobicContact CD1-CD1 4.07Å; I528-L546 HydrophobicContact CD1-CD1 3.36Å; M542-L546 HydrophobicContact CE-CB 4.45Å; M542-L546 HydrophobicContact CE-CD1 3.61Å; P543-L546 PolarHBondContact O-N 3.37Å; V544-L546 PolarHBondContact O-N 2.9Å; L546-K600 WeakPolarHBondContact O-CB 3.43Å; L546-K600 PolarHBondContact O-N 2.85Å
547	N	91.6	Very high	84.9	Confident	6 Å²	6	29.8 Å²	29.8	3%	0.032	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	166.7	167.1	-78.3	103.9	0	0	0	111.2	V544 K600 P601 F602 L814 K826	V544-N547 WeakPolarHBondContact O-CA 3.32Å; V544-N547 WeakPolarHBondContact O-CB 3.44Å; V544-N547 PolarHBondContact O-N 3.12Å; N547-K600 CarbonylContact C-O 3.58Å; N547-K600 WeakPolarHBondContact CA-O 3.48Å; N547-K600 PolarHBondContact ND2-O 2.8Å; N547-P601 PolarHBondContact ND2-O 3.13Å; N547-F602 HydrophobicContact CB-CD2 4.2Å; N547-F602 HydrophobicContact CB-CE2 3.88Å; N547-F602 HydrophobicContact CB-CZ 4.09Å; N547-F602 PolarHBondContact ND2-N 3.23Å; N547-L814 HydrophobicContact CB-CD2 3.86Å; N547-K826 PolarHBondContact OD1-NZ 2.86Å
548	E	94.6	Very high	87.2	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	155	163.8	39.9	159.6	-141	0	0	107.7	L550 R555 R596 K600 P601 F602 Y780 F782	E548-L550 PolarHBondContact O-N 3.42Å; E548-R555 IonicContact OE1-CZ 3.69Å; E548-R555 IonicContact OE1-NE 3.46Å; E548-R555 PolarHBondContact OE1-NE 2.66Å; E548-R555 IonicContact OE1-NH2 2.81Å; E548-R555 PolarHBondContact OE1-NH2 2.81Å; E548-R555 IonicContact OE2-CZ 2.76Å; E548-R555 IonicContact OE2-NH2 3.57Å; E548-R555 PolarHBondContact OE2-NH2 3.34Å; E548-R596 IonicContact OE1-NH2 2.97Å; E548-R596 PolarHBondContact OE1-NH2 3.42Å; E548-R596 IonicContact OE2-CZ 2.74Å; E548-R596 IonicContact OE2-NE 3.74Å; E548-R596 PolarHBondContact OE2-NE 3.15Å; E548-R596 VanDerWaalsContact OE2-NE 3.11Å; E548-R596 IonicContact OE2-NH2 3.24Å; E548-R596 PolarHBondContact OE2-NH2 3Å; E548-K600 VanDerWaalsContact CG-C 3.48Å; E548-K600 VanDerWaalsContact CG-O 3.31Å; E548-K600 WeakPolarHBondContact CG-O 3.48Å; E548-K600 PolarHBondContact N-O 2.99Å; E548-P601 WeakPolarHBondContact OE1-CA 3.27Å; E548-P601 WeakPolarHBondContact OE1-CB 3.29Å; E548-F602 WeakPolarHBondContact O-CD2 3.5Å; E548-F602 VanDerWaalsContact O-CE2 3.3Å; E548-F602 WeakPolarHBondContact O-CE2 3.37Å; E548-Y780 HydrophobicContact CB-CD1 3.82Å; E548-Y780 HydrophobicContact CB-CE1 4.43Å; E548-Y780 HydrophobicContact CB-CG 4.16Å; E548-F782 HydrophobicContact CB-CE1 4.02Å; E548-F782 HydrophobicContact CB-CZ 4.11Å
549	P	96.9	Very high	89.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	37.9	-174.6	30.9	-36.8	0	0	0	114.6	L513 Y780 F782 Q811 E815	L513-P549 HydrophobicContact CD1-CG 4.12Å; P549-Y780 VanDerWaalsContact CD-CZ 3.47Å; P549-Y780 HydrophobicContact CG-CD2 3.94Å; P549-Y780 HydrophobicContact CG-CE2 3.66Å; P549-F782 HydrophobicContact CG-CE2 4.05Å; P549-F782 HydrophobicContact CG-CZ 3.97Å; P549-Q811 PolarHBondContact O-NE2 2.92Å; P549-E815 HydrophobicContact CB-CB 3.59Å; P549-E815 HydrophobicContact CB-CG 3.8Å; P549-E815 HydrophobicContact CG-CB 4.25Å; P549-E815 HydrophobicContact CG-CG 4.05Å
550	L	98	Very high	91.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.6	171.6	-68	174.9	0	0	0	110.3	E548 Q554 P601 F602 F782 A786 L789 N790	E548-L550 PolarHBondContact O-N 3.42Å; L550-Q554 VanDerWaalsContact CA-OE1 3.29Å; L550-Q554 HydrophobicContact CB-CB 4.32Å; L550-Q554 HydrophobicContact CD2-CB 4.02Å; L550-Q554 HydrophobicContact CD2-CG 4.22Å; L550-P601 CarbonylContact O-C 3.6Å; L550-P601 WeakPolarHBondContact O-CA 3.28Å; L550-P601 WeakPolarHBondContact O-CB 3.47Å; L550-F602 PolarHBondContact O-N 3.25Å; L550-F782 HydrophobicContact CB-CZ 4.39Å; L550-F782 HydrophobicContact CD1-CD2 4.19Å; L550-F782 HydrophobicContact CD1-CE1 4.09Å; L550-F782 HydrophobicContact CD1-CE2 3.61Å; L550-F782 HydrophobicContact CD1-CZ 3.55Å; L550-F782 HydrophobicContact CG-CE2 3.8Å; L550-F782 HydrophobicContact CG-CZ 3.69Å; L550-A786 HydrophobicContact CD1-CB 4.11Å; L550-L789 HydrophobicContact CD1-CD1 4.38Å; L550-L789 HydrophobicContact CD2-CB 3.84Å; L550-L789 HydrophobicContact CD2-CD1 4.49Å; L550-N790 HydrophobicContact CD2-CB 3.98Å
551	N	97	Very high	92.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	176.1	175.1	80.6	-4.4	0	0	0	112.7	L553 Q554 R555 F602 P604 E608 T805	N551-L553 VanDerWaalsContact C-N 3.26Å; N551-L553 PolarHBondContact O-N 3.25Å; N551-L553 WeakPolarHBondContact OD1-CA 3.45Å; N551-L553 WeakPolarHBondContact OD1-CB 3.42Å; N551-L553 PolarHBondContact OD1-N 2.89Å; N551-Q554 PolarHBondContact O-N 2.97Å; N551-Q554 PolarHBondContact OD1-N 3Å; N551-Q554 PolarHBondContact OD1-OE1 3.05Å; N551-R555 WeakPolarHBondContact O-CG 3.48Å; N551-R555 PolarHBondContact O-N 3.16Å; N551-R555 VanDerWaalsContact O-N 3.07Å; N551-F602 WeakPolarHBondContact CA-O 3.24Å; N551-F602 HydrophobicContact CB-CB 3.88Å; N551-P604 HydrophobicContact CB-CG 4.13Å; N551-E608 PolarHBondContact ND2-OE1 2.88Å; N551-T805 HydrophobicContact CB-CG2 4.14Å; N551-T805 VanDerWaalsContact ND2-CG2 3.35Å; N551-T805 WeakPolarHBondContact ND2-CG2 3.49Å; N551-T805 PolarHBondContact ND2-OG1 2.77Å
552	A	95.4	Very high	94.1	Very high	26 Å²	26	14.4 Å²	14.4	22%	0.215	7%	0.074	C	C	.	.	H	α-helix	trans	-63.7	-25.6	177.6	0	0	0	0	0	114.4	R555 L556 F602 P604	A552-R555 PolarHBondContact O-N 2.91Å; A552-L556 PolarHBondContact O-N 3.21Å; A552-F602 PolarHBondContact N-O 3.5Å; A552-F602 VanDerWaalsContact N-O 3.07Å; A552-P604 HydrophobicContact CB-CG 3.87Å
553	L	98.6	Very high	95.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-70.1	-44.4	176.3	-53.7	-174.3	0	0	0	111	N551 R555 L556 C557 P604 E608 S623 Q625	N551-L553 VanDerWaalsContact C-N 3.26Å; N551-L553 PolarHBondContact O-N 3.25Å; N551-L553 WeakPolarHBondContact OD1-CA 3.45Å; N551-L553 WeakPolarHBondContact OD1-CB 3.42Å; N551-L553 PolarHBondContact OD1-N 2.89Å; L553-R555 VanDerWaalsContact C-N 3.32Å; L553-R555 PolarHBondContact O-N 2.84Å; L553-L556 WeakPolarHBondContact O-CB 3.48Å; L553-L556 PolarHBondContact O-N 2.87Å; L553-L556 VanDerWaalsContact O-N 3.13Å; L553-C557 PolarHBondContact O-N 2.94Å; L553-P604 HydrophobicContact CD1-CB 4.34Å; L553-P604 HydrophobicContact CD2-CB 4.46Å; L553-P604 HydrophobicContact CD2-CG 4.09Å; L553-P604 HydrophobicContact CG-CB 4.09Å; L553-P604 HydrophobicContact CG-CG 3.76Å; L553-E608 HydrophobicContact CD1-CG 4.46Å; L553-E608 WeakPolarHBondContact CD1-O 3.41Å; L553-S623 WeakPolarHBondContact CB-OG 3.3Å; L553-Q625 HydrophobicContact CD2-CB 4.46Å
554	Q	98.7	Very high	95.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.5	-37.5	173.1	-75	163.9	-34	0	0	111.8	L550 N551 L556 C557 E558 Y610 L789 N790	L550-Q554 VanDerWaalsContact CA-OE1 3.29Å; L550-Q554 HydrophobicContact CB-CB 4.32Å; L550-Q554 HydrophobicContact CD2-CB 4.02Å; L550-Q554 HydrophobicContact CD2-CG 4.22Å; N551-Q554 PolarHBondContact O-N 2.97Å; N551-Q554 PolarHBondContact OD1-N 3Å; N551-Q554 PolarHBondContact OD1-OE1 3.05Å; Q554-L556 VanDerWaalsContact C-N 3.27Å; Q554-L556 PolarHBondContact O-N 3.12Å; Q554-C557 WeakPolarHBondContact O-CB 3.35Å; Q554-C557 PolarHBondContact O-N 2.9Å; Q554-E558 PolarHBondContact O-N 3.28Å; Q554-Y610 HydrophobicContact CB-CE1 4.45Å; Q554-Y610 HydrophobicContact CG-CD1 3.72Å; Q554-Y610 HydrophobicContact CG-CD2 3.66Å; Q554-Y610 HydrophobicContact CG-CE1 3.68Å; Q554-Y610 HydrophobicContact CG-CE2 3.57Å; Q554-Y610 HydrophobicContact CG-CG 3.73Å; Q554-L789 HydrophobicContact CB-CD1 4.13Å; Q554-L789 WeakPolarHBondContact O-CD1 3.42Å; Q554-N790 PolarHBondContact NE2-OD1 2.97Å
555	R	96.6	Very high	96.2	Very high	57 Å²	57	14.8 Å²	14.8	22%	0.215	7%	0.073	C	C	.	.	H	α-helix	trans	-59	-34.5	172.1	-66.3	-48.9	-152.4	107.1	-4.1	113.4	E548 N551 A552 L553 C557 E558 R596 P601	E548-R555 IonicContact OE1-CZ 3.69Å; E548-R555 IonicContact OE1-NE 3.46Å; E548-R555 PolarHBondContact OE1-NE 2.66Å; E548-R555 IonicContact OE1-NH2 2.81Å; E548-R555 PolarHBondContact OE1-NH2 2.81Å; E548-R555 IonicContact OE2-CZ 2.76Å; E548-R555 IonicContact OE2-NH2 3.57Å; E548-R555 PolarHBondContact OE2-NH2 3.34Å; N551-R555 WeakPolarHBondContact O-CG 3.48Å; N551-R555 PolarHBondContact O-N 3.16Å; N551-R555 VanDerWaalsContact O-N 3.07Å; A552-R555 PolarHBondContact O-N 2.91Å; L553-R555 VanDerWaalsContact C-N 3.32Å; L553-R555 PolarHBondContact O-N 2.84Å; R555-C557 VanDerWaalsContact C-N 3.3Å; R555-E558 WeakPolarHBondContact CD-OE1 3.46Å; R555-E558 IonicContact NE-OE1 3.71Å; R555-E558 PolarHBondContact O-N 3.31Å; R555-R596 VanDerWaalsContact CZ-CZ 3.47Å; R555-R596 VanDerWaalsContact CZ-NH2 3.27Å; R555-P601 HydrophobicContact CG-CB 3.88Å; R555-P601 HydrophobicContact CG-CG 4.07Å
556	L	97.7	Very high	96.8	Very high	11 Å²	11	12.4 Å²	12.4	6%	0.058	6%	0.062	C	C	.	.	H	α-helix	trans	-70.5	-27.2	174.8	-63.9	176.8	0	0	0	112.3	A552 L553 Q554 F621 C635 V648	A552-L556 PolarHBondContact O-N 3.21Å; L553-L556 WeakPolarHBondContact O-CB 3.48Å; L553-L556 PolarHBondContact O-N 2.87Å; L553-L556 VanDerWaalsContact O-N 3.13Å; Q554-L556 VanDerWaalsContact C-N 3.27Å; Q554-L556 PolarHBondContact O-N 3.12Å; L556-F621 HydrophobicContact CB-CE2 4.46Å; L556-F621 HydrophobicContact CB-CZ 4.01Å; L556-C635 HydrophobicContact CB-CB 4.36Å; L556-C635 HydrophobicContact CD1-CB 4.14Å; L556-V648 HydrophobicContact CD2-CB 4.1Å; L556-V648 HydrophobicContact CD2-CG2 3.71Å
557	C	98.6	Very high	97.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-73.3	-29	175.2	-168.3	0	0	0	0	112.6	L553 Q554 R555 E559 L560 Y610 F621 F785 L789	L553-C557 PolarHBondContact O-N 2.94Å; Q554-C557 WeakPolarHBondContact O-CB 3.35Å; Q554-C557 PolarHBondContact O-N 2.9Å; R555-C557 VanDerWaalsContact C-N 3.3Å; C557-E559 PolarHBondContact O-N 3.01Å; C557-L560 PolarHBondContact O-N 3Å; C557-Y610 HydrophobicContact CB-CD1 4.49Å; C557-Y610 HydrophobicContact CB-CE1 3.92Å; C557-F621 HydrophobicContact CB-CD1 3.94Å; C557-F621 HydrophobicContact CB-CD2 4.3Å; C557-F621 HydrophobicContact CB-CE1 3.68Å; C557-F621 HydrophobicContact CB-CE2 4.05Å; C557-F621 HydrophobicContact CB-CG 4.26Å; C557-F621 HydrophobicContact CB-CZ 3.73Å; C557-F785 VanDerWaalsContact O-CE1 3.32Å; C557-F785 WeakPolarHBondContact O-CE1 3.39Å; C557-L789 HydrophobicContact CB-CD2 4.15Å
558	E	97.6	Very high	97.7	Very high	9 Å²	9	19.1 Å²	19.1	4%	0.042	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-62	-22.6	176.8	-68.9	-178.3	-132.9	0	0	113.7	Q554 R555 L560 D561 S592 R596 L789	Q554-E558 PolarHBondContact O-N 3.28Å; R555-E558 WeakPolarHBondContact CD-OE1 3.46Å; R555-E558 IonicContact NE-OE1 3.71Å; R555-E558 PolarHBondContact O-N 3.31Å; E558-L560 PolarHBondContact O-N 3.13Å; E558-L560 VanDerWaalsContact O-N 3.13Å; E558-D561 VanDerWaalsContact O-CB 3.28Å; E558-D561 WeakPolarHBondContact O-CB 3.48Å; E558-D561 PolarHBondContact O-N 3.06Å; E558-S592 WeakPolarHBondContact OE2-CB 3.47Å; E558-S592 PolarHBondContact OE2-OG 2.67Å; E558-R596 IonicContact OE1-CZ 2.74Å; E558-R596 IonicContact OE1-NH1 3.3Å; E558-R596 PolarHBondContact OE1-NH1 3.47Å; E558-R596 IonicContact OE1-NH2 3.86Å; E558-R596 PolarHBondContact OE1-NH2 2.69Å; E558-R596 IonicContact OE2-CZ 2.7Å; E558-R596 IonicContact OE2-NH1 3.94Å; E558-R596 PolarHBondContact OE2-NH1 3.01Å; E558-L789 HydrophobicContact CG-CD1 3.63Å
559	E	97.5	Very high	97.8	Very high	36 Å²	36	19.1 Å²	19.1	17%	0.168	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-66.1	-12.8	175.6	-62.2	176.3	-170.2	0	0	112	C557 F585 F644 Q646 K682	C557-E559 PolarHBondContact O-N 3.01Å; E559-F585 WeakPolarHBondContact O-CE2 3.49Å; E559-F585 VanDerWaalsContact O-CZ 3.22Å; E559-F585 WeakPolarHBondContact O-CZ 3.04Å; E559-F644 HydrophobicContact CB-CZ 4.27Å; E559-Q646 PolarHBondContact OE2-NE2 2.94Å; E559-K682 IonicContact OE1-NZ 3.54Å; E559-K682 PolarHBondContact OE1-NZ 3.14Å; E559-K682 IonicContact OE2-NZ 3.76Å; E559-K682 PolarHBondContact OE2-NZ 3.2Å
560	L	98.4	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-98.9	9.5	172.3	-61.5	172.3	0	0	0	114	C557 E558 N562 S563 L566 F585 F619 F621 A637 F642 F644	C557-L560 PolarHBondContact O-N 3Å; E558-L560 PolarHBondContact O-N 3.13Å; E558-L560 VanDerWaalsContact O-N 3.13Å; L560-N562 PolarHBondContact O-N 3.23Å; L560-S563 WeakPolarHBondContact O-CB 3.46Å; L560-S563 PolarHBondContact O-N 2.62Å; L560-S563 VanDerWaalsContact O-N 3.14Å; L560-L566 HydrophobicContact CD2-CD1 4.47Å; L560-F585 HydrophobicContact CD2-CE2 4.27Å; L560-F585 HydrophobicContact CD2-CZ 3.99Å; L560-F619 HydrophobicContact CB-CE1 3.82Å; L560-F619 HydrophobicContact CB-CE2 4.17Å; L560-F619 HydrophobicContact CB-CZ 3.52Å; L560-F619 HydrophobicContact CD1-CD2 4.01Å; L560-F619 HydrophobicContact CD1-CE1 4.49Å; L560-F619 HydrophobicContact CD1-CE2 3.68Å; L560-F619 HydrophobicContact CD1-CZ 3.93Å; L560-F619 HydrophobicContact CG-CZ 4.36Å; L560-F621 HydrophobicContact CD1-CB 4.37Å; L560-F621 HydrophobicContact CD1-CD2 3.71Å; L560-F621 HydrophobicContact CD1-CG 4.48Å; L560-A637 HydrophobicContact CD1-CB 3.67Å; L560-F642 HydrophobicContact CD2-CE2 4.21Å; L560-F644 HydrophobicContact CD1-CD1 4.22Å; L560-F644 HydrophobicContact CD2-CB 4.38Å; L560-F644 HydrophobicContact CD2-CD1 4.12Å; L560-F644 HydrophobicContact CD2-CD2 4.33Å; L560-F644 HydrophobicContact CD2-CE1 4.45Å; L560-F644 HydrophobicContact CD2-CG 4.04Å; L560-F644 HydrophobicContact CG-CD1 4.35Å; L560-F644 HydrophobicContact CG-CE1 4.39Å
561	D	96.9	Very high	97.9	Very high	23 Å²	23	24 Å²	24	12%	0.123	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.1	173.8	-166.3	-3.3	0	0	0	111.3	E558 K617 T783 F785	E558-D561 VanDerWaalsContact O-CB 3.28Å; E558-D561 WeakPolarHBondContact O-CB 3.48Å; E558-D561 PolarHBondContact O-N 3.06Å; D561-K617 VanDerWaalsContact O-CE 3.26Å; D561-K617 WeakPolarHBondContact O-CE 3.4Å; D561-K617 PolarHBondContact O-NZ 2.77Å; D561-T783 PolarHBondContact OD2-OG1 3.12Å; D561-F785 HydrophobicContact CB-CB 4.13Å; D561-F785 HydrophobicContact CB-CD1 3.97Å; D561-F785 HydrophobicContact CB-CD2 4.32Å; D561-F785 HydrophobicContact CB-CE1 4.45Å; D561-F785 HydrophobicContact CB-CG 3.9Å; D561-F785 WeakPolarHBondContact OD1-CB 3.48Å; D561-F785 WeakPolarHBondContact OD2-CB 3.16Å
562	N	97.7	Very high	97.9	Very high	10 Å²	10	25 Å²	25	5%	0.053	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	35.7	177.5	-49.8	-94.2	0	0	0	112.5	L560 E564 L565 S588 W767	L560-N562 PolarHBondContact O-N 3.23Å; N562-E564 VanDerWaalsContact CA-OE1 3.27Å; N562-E564 WeakPolarHBondContact CA-OE1 3.27Å; N562-E564 PolarHBondContact O-N 3.03Å; N562-E564 VanDerWaalsContact O-N 3.11Å; N562-L565 HydrophobicContact CB-CD1 3.97Å; N562-L565 WeakPolarHBondContact O-CB 3.15Å; N562-L565 PolarHBondContact O-N 3.34Å; N562-L565 VanDerWaalsContact O-N 3.13Å; N562-S588 PolarHBondContact ND2-OG 3.43Å; N562-W767 PolarHBondContact OD1-NE1 3.26Å
563	S	98.4	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27	-176.9	62.9	0	0	0	0	114.6	L560 L565 L566 D567	L560-S563 WeakPolarHBondContact O-CB 3.46Å; L560-S563 PolarHBondContact O-N 2.62Å; L560-S563 VanDerWaalsContact O-N 3.14Å; S563-L565 PolarHBondContact O-N 2.8Å; S563-L565 VanDerWaalsContact O-N 3.09Å; S563-L566 WeakPolarHBondContact O-CA 3.27Å; S563-L566 VanDerWaalsContact O-CB 3.3Å; S563-L566 WeakPolarHBondContact O-CB 3.25Å; S563-L566 PolarHBondContact O-N 3.47Å; S563-D567 PolarHBondContact O-N 3.03Å
564	E	98	Very high	98	Very high	70 Å²	70	32.4 Å²	32.4	33%	0.327	15%	0.152	S	C	.	.	H	α-helix	trans	-62.3	-15.5	178.4	66.9	-69.2	154	0	0	114	N562 L566 D567 R568 K617	N562-E564 VanDerWaalsContact CA-OE1 3.27Å; N562-E564 WeakPolarHBondContact CA-OE1 3.27Å; N562-E564 PolarHBondContact O-N 3.03Å; N562-E564 VanDerWaalsContact O-N 3.11Å; E564-L566 VanDerWaalsContact C-N 3.34Å; E564-D567 WeakPolarHBondContact CA-OD2 3.42Å; E564-D567 PolarHBondContact O-N 3.39Å; E564-R568 WeakPolarHBondContact O-CG 3.39Å; E564-R568 PolarHBondContact O-N 3.16Å; E564-K617 IonicContact OE2-NZ 3.14Å; E564-K617 PolarHBondContact OE2-NZ 3.02Å
565	L	98.7	Very high	97.9	Very high	4 Å²	4	34 Å²	34	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-34.6	167.4	-66.6	170.6	0	0	0	111.9	N562 S563 A569 Y581 T584 F585 W767	N562-L565 HydrophobicContact CB-CD1 3.97Å; N562-L565 WeakPolarHBondContact O-CB 3.15Å; N562-L565 PolarHBondContact O-N 3.34Å; N562-L565 VanDerWaalsContact O-N 3.13Å; S563-L565 PolarHBondContact O-N 2.8Å; S563-L565 VanDerWaalsContact O-N 3.09Å; L565-A569 PolarHBondContact O-N 3.5Å; L565-Y581 HydrophobicContact CD2-CD1 4.19Å; L565-T584 HydrophobicContact CD1-CG2 4.06Å; L565-T584 HydrophobicContact CD2-CG2 4.35Å; L565-F585 HydrophobicContact CB-CB 4Å; L565-F585 HydrophobicContact CB-CD2 4.46Å; L565-F585 HydrophobicContact CD1-CB 4.16Å; L565-W767 HydrophobicContact CD1-CB 4.46Å; L565-W767 HydrophobicContact CD1-CG 4.32Å; L565-W767 HydrophobicContact CD2-CB 4.47Å
566	L	98.8	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-72.5	-37.1	173.9	-56.1	-174.9	0	0	0	111.4	L560 S563 E564 R568 A569 A570 I582 F585 F642 V669	L560-L566 HydrophobicContact CD2-CD1 4.47Å; S563-L566 WeakPolarHBondContact O-CA 3.27Å; S563-L566 VanDerWaalsContact O-CB 3.3Å; S563-L566 WeakPolarHBondContact O-CB 3.25Å; S563-L566 PolarHBondContact O-N 3.47Å; E564-L566 VanDerWaalsContact C-N 3.34Å; L566-R568 VanDerWaalsContact C-N 3.34Å; L566-A569 WeakPolarHBondContact O-CB 3.16Å; L566-A569 PolarHBondContact O-N 3.19Å; L566-A570 WeakPolarHBondContact O-CB 3.36Å; L566-A570 PolarHBondContact O-N 2.85Å; L566-I582 HydrophobicContact CD2-CD1 3.7Å; L566-F585 HydrophobicContact CD1-CD2 4.35Å; L566-F585 HydrophobicContact CD1-CE1 4.15Å; L566-F585 HydrophobicContact CD1-CE2 3.96Å; L566-F585 HydrophobicContact CD1-CZ 3.86Å; L566-F585 HydrophobicContact CD2-CB 4.04Å; L566-F585 HydrophobicContact CD2-CD1 3.69Å; L566-F585 HydrophobicContact CD2-CD2 3.98Å; L566-F585 HydrophobicContact CD2-CE1 4.13Å; L566-F585 HydrophobicContact CD2-CE2 4.38Å; L566-F585 HydrophobicContact CD2-CG 3.62Å; L566-F585 HydrophobicContact CD2-CZ 4.46Å; L566-F585 HydrophobicContact CG-CD1 4.33Å; L566-F585 HydrophobicContact CG-CD2 3.87Å; L566-F585 HydrophobicContact CG-CE1 4.43Å; L566-F585 HydrophobicContact CG-CE2 3.99Å; L566-F585 HydrophobicContact CG-CG 4.06Å; L566-F585 HydrophobicContact CG-CZ 4.28Å; L566-F642 HydrophobicContact CB-CB 4.26Å; L566-F642 HydrophobicContact CB-CD1 3.54Å; L566-F642 HydrophobicContact CB-CE1 3.96Å; L566-F642 HydrophobicContact CB-CG 3.88Å; L566-F642 HydrophobicContact CD1-CB 4.45Å; L566-F642 HydrophobicContact CD1-CD1 4.13Å; L566-F642 HydrophobicContact CD1-CD2 3.67Å; L566-F642 HydrophobicContact CD1-CE1 4.29Å; L566-F642 HydrophobicContact CD1-CE2 3.86Å; L566-F642 HydrophobicContact CD1-CG 3.83Å; L566-F642 HydrophobicContact CD1-CZ 4.16Å; L566-F642 HydrophobicContact CG-CD1 4.49Å; L566-V669 HydrophobicContact CD1-CG1 4.46Å; L566-V669 HydrophobicContact CD1-CG2 4Å; L566-V669 HydrophobicContact CD2-CG1 4.25Å; L566-V669 HydrophobicContact CD2-CG2 4.24Å
567	D	98.4	Very high	98	Very high	33 Å²	33	37 Å²	37	18%	0.176	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-38.7	173.8	-62.7	-60.2	0	0	0	111.9	S563 E564 A570 I571 N641	S563-D567 PolarHBondContact O-N 3.03Å; E564-D567 WeakPolarHBondContact CA-OD2 3.42Å; E564-D567 PolarHBondContact O-N 3.39Å; D567-A570 PolarHBondContact O-N 3.24Å; D567-I571 PolarHBondContact O-N 3.23Å; D567-N641 VanDerWaalsContact OD1-CB 3.31Å; D567-N641 WeakPolarHBondContact OD1-CB 3.34Å; D567-N641 PolarHBondContact OD1-ND2 2.87Å
568	R	98.3	Very high	98	Very high	122 Å²	122	37.7 Å²	37.7	46%	0.46	18%	0.181	S	C	.	.	H	α-helix	trans	-63.1	-46.8	170.3	-72.8	178.3	-174.1	-169.5	2.7	111.7	E564 L566 A570 I571 T572 Y581	E564-R568 WeakPolarHBondContact O-CG 3.39Å; E564-R568 PolarHBondContact O-N 3.16Å; L566-R568 VanDerWaalsContact C-N 3.34Å; R568-A570 VanDerWaalsContact C-N 3.26Å; R568-A570 PolarHBondContact O-N 3.05Å; R568-I571 VanDerWaalsContact O-CG1 3.23Å; R568-I571 WeakPolarHBondContact O-CG1 3.27Å; R568-I571 PolarHBondContact O-N 3.42Å; R568-I571 VanDerWaalsContact O-N 3.14Å; R568-T572 PolarHBondContact O-N 2.64Å; R568-T572 VanDerWaalsContact O-N 3.14Å; R568-T572 PolarHBondContact O-OG1 3.29Å; R568-Y581 HydrophobicContact CB-CD1 3.9Å; R568-Y581 HydrophobicContact CB-CD2 4.36Å; R568-Y581 HydrophobicContact CB-CE1 3.94Å; R568-Y581 HydrophobicContact CB-CE2 4.39Å; R568-Y581 HydrophobicContact CB-CG 4.12Å; R568-Y581 HydrophobicContact CG-CE1 4.42Å
569	A	98.5	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.1	-40.3	175.1	0	0	0	0	0	111.9	L565 L566 I571 T572 R578 I582 L671	L565-A569 PolarHBondContact O-N 3.5Å; L566-A569 WeakPolarHBondContact O-CB 3.16Å; L566-A569 PolarHBondContact O-N 3.19Å; A569-I571 PolarHBondContact O-N 3.13Å; A569-T572 PolarHBondContact O-N 1.84Å; A569-R578 WeakPolarHBondContact O-CD 3.09Å; A569-R578 VanDerWaalsContact O-CG 3.29Å; A569-R578 WeakPolarHBondContact O-CG 3.44Å; A569-I582 HydrophobicContact CB-CD1 3.98Å; A569-I582 HydrophobicContact CB-CG1 4.24Å; A569-L671 HydrophobicContact CB-CD1 3.76Å
570	A	98.2	Very high	98.1	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12	179.9	0	0	0	0	0	115.1	L566 D567 R568 N641 L671 R673 F674	L566-A570 WeakPolarHBondContact O-CB 3.36Å; L566-A570 PolarHBondContact O-N 2.85Å; D567-A570 PolarHBondContact O-N 3.24Å; R568-A570 VanDerWaalsContact C-N 3.26Å; R568-A570 PolarHBondContact O-N 3.05Å; A570-N641 HydrophobicContact CB-CB 3.68Å; A570-N641 WeakPolarHBondContact CB-O 3.27Å; A570-L671 HydrophobicContact CB-CD2 4.33Å; A570-R673 WeakPolarHBondContact O-CD 3.46Å; A570-F674 WeakPolarHBondContact O-CE2 3.15Å
571	I	97.6	Very high	98.1	Very high	102 Å²	102	38.6 Å²	38.6	52%	0.523	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-24.4	175.2	64.2	171.7	0	0	0	114.2	D567 R568 A569 Q573	D567-I571 PolarHBondContact O-N 3.23Å; R568-I571 VanDerWaalsContact O-CG1 3.23Å; R568-I571 WeakPolarHBondContact O-CG1 3.27Å; R568-I571 PolarHBondContact O-N 3.42Å; R568-I571 VanDerWaalsContact O-N 3.14Å; A569-I571 PolarHBondContact O-N 3.13Å; I571-Q573 PolarHBondContact O-N 2.74Å; I571-Q573 PolarHBondContact O-NE2 3.14Å
572	T	98.3	Very high	98.2	Very high	19 Å²	19	37.5 Å²	37.5	12%	0.117	18%	0.177	C	C	.	.			trans	-68.6	124.5	-179.2	-73.8	0	0	0	0	112.6	R568 A569 E577 R578 Y581 F674	R568-T572 PolarHBondContact O-N 2.64Å; R568-T572 VanDerWaalsContact O-N 3.14Å; R568-T572 PolarHBondContact O-OG1 3.29Å; A569-T572 PolarHBondContact O-N 1.84Å; T572-E577 HydrophobicContact CG2-CB 3.38Å; T572-R578 HydrophobicContact CG2-CG 3.86Å; T572-R578 VanDerWaalsContact O-CD 3.26Å; T572-R578 WeakPolarHBondContact O-CD 3.35Å; T572-R578 WeakPolarHBondContact O-CG 3.28Å; T572-R578 PolarHBondContact O-NH1 3.35Å; T572-Y581 HydrophobicContact CG2-CE2 4.49Å; T572-F674 WeakPolarHBondContact O-CE2 3.41Å; T572-F674 WeakPolarHBondContact O-CZ 3.43Å
573	Q	97.3	Very high	98.2	Very high	120 Å²	120	37 Å²	37	56%	0.561	18%	0.175	S	C	*	.			trans	-79.3	-35.3	-172.8	-61	-58	-60	0	0	113.9	I571 R578	I571-Q573 PolarHBondContact O-N 2.74Å; I571-Q573 PolarHBondContact O-NE2 3.14Å; Q573-R578 VanDerWaalsContact C-NH1 3.29Å; Q573-R578 PolarHBondContact O-NH1 2.83Å
574	D	97.6	Very high	98.2	Very high	63 Å²	63	37 Å²	37	34%	0.337	18%	0.175	S	C	.	.			trans	-75.8	122.2	178.2	-177.9	-1.9	0	0	0	110.7	F576 E577 R578	D574-F576 PolarHBondContact O-N 3.01Å; D574-F576 WeakPolarHBondContact OD1-CB 3.42Å; D574-F576 WeakPolarHBondContact OD1-CD2 3.42Å; D574-F576 PolarHBondContact OD1-N 3.12Å; D574-E577 HydrophobicContact CB-CB 4.13Å; D574-E577 HydrophobicContact CB-CG 4.11Å; D574-E577 PolarHBondContact O-N 2.95Å; D574-R578 PolarHBondContact O-N 2.84Å
575	P	97.3	Very high	98.3	Very high	33 Å²	33	33.9 Å²	33.9	21%	0.214	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-28.5	173.9	24.9	-35.2	0	0	0	114	M579 V712	P575-M579 WeakPolarHBondContact O-CB 3.25Å; P575-M579 PolarHBondContact O-N 2.71Å; P575-V712 HydrophobicContact CB-CG1 4.42Å; P575-V712 HydrophobicContact CG-CG1 3.84Å
576	F	97.8	Very high	98.3	Very high	38 Å²	38	34 Å²	34	17%	0.167	16%	0.161	C	C	.	.	H	α-helix	trans	-69.5	-44	175.8	-67.5	-81	0	0	0	111.3	D574 M579 I580 V712 C713 I736 D738 V744	D574-F576 PolarHBondContact O-N 3.01Å; D574-F576 WeakPolarHBondContact OD1-CB 3.42Å; D574-F576 WeakPolarHBondContact OD1-CD2 3.42Å; D574-F576 PolarHBondContact OD1-N 3.12Å; F576-M579 WeakPolarHBondContact O-CB 3.24Å; F576-M579 PolarHBondContact O-N 2.84Å; F576-I580 PolarHBondContact O-N 3.25Å; F576-V712 HydrophobicContact CE2-CG1 3.99Å; F576-V712 HydrophobicContact CZ-CG1 4.11Å; F576-C713 HydrophobicContact CD1-CB 3.59Å; F576-C713 HydrophobicContact CE1-CB 3.36Å; F576-C713 HydrophobicContact CG-CB 4.44Å; F576-C713 HydrophobicContact CZ-CB 4.05Å; F576-I736 HydrophobicContact CD1-CG2 3.98Å; F576-D738 HydrophobicContact CE1-CB 4.03Å; F576-D738 HydrophobicContact CZ-CB 3.92Å; F576-V744 HydrophobicContact CB-CG1 4.49Å; F576-V744 HydrophobicContact CD1-CB 3.91Å; F576-V744 HydrophobicContact CD1-CG1 3.92Å; F576-V744 HydrophobicContact CD1-CG2 3.92Å; F576-V744 HydrophobicContact CE1-CB 4.12Å; F576-V744 HydrophobicContact CE1-CG1 4.36Å; F576-V744 HydrophobicContact CE1-CG2 3.59Å; F576-V744 HydrophobicContact CG-CG1 4.17Å; F576-V744 HydrophobicContact CZ-CG2 4.24Å
577	E	97.9	Very high	98.3	Very high	94 Å²	94	34.2 Å²	34.2	44%	0.439	16%	0.162	S	C	.	.	H	α-helix	trans	-68.1	-36.6	172.8	-67.4	-170.8	157.9	0	0	112.6	T572 D574 M579 I580 Y581	T572-E577 HydrophobicContact CG2-CB 3.38Å; D574-E577 HydrophobicContact CB-CB 4.13Å; D574-E577 HydrophobicContact CB-CG 4.11Å; D574-E577 PolarHBondContact O-N 2.95Å; E577-M579 VanDerWaalsContact C-N 3.27Å; E577-M579 PolarHBondContact O-N 2.81Å; E577-I580 WeakPolarHBondContact O-CB 3.28Å; E577-I580 PolarHBondContact O-N 2.62Å; E577-I580 VanDerWaalsContact O-N 3.11Å; E577-Y581 VanDerWaalsContact O-CD2 3.29Å; E577-Y581 WeakPolarHBondContact O-CD2 2.92Å; E577-Y581 PolarHBondContact O-N 2.85Å
578	R	98.3	Very high	98.3	Very high	14 Å²	14	32.7 Å²	32.7	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-57.8	-43	170.8	-73.1	-156.3	-66.8	-74.3	6.5	111.4	A569 T572 Q573 D574 I580 Y581 I582 D676 Y678	A569-R578 WeakPolarHBondContact O-CD 3.09Å; A569-R578 VanDerWaalsContact O-CG 3.29Å; A569-R578 WeakPolarHBondContact O-CG 3.44Å; T572-R578 HydrophobicContact CG2-CG 3.86Å; T572-R578 VanDerWaalsContact O-CD 3.26Å; T572-R578 WeakPolarHBondContact O-CD 3.35Å; T572-R578 WeakPolarHBondContact O-CG 3.28Å; T572-R578 PolarHBondContact O-NH1 3.35Å; Q573-R578 VanDerWaalsContact C-NH1 3.29Å; Q573-R578 PolarHBondContact O-NH1 2.83Å; D574-R578 PolarHBondContact O-N 2.84Å; R578-I580 VanDerWaalsContact C-N 3.26Å; R578-I580 PolarHBondContact O-N 2.68Å; R578-Y581 PolarHBondContact O-N 3.43Å; R578-Y581 VanDerWaalsContact O-N 3.11Å; R578-I582 WeakPolarHBondContact O-CG1 3.21Å; R578-I582 PolarHBondContact O-N 3.33Å; R578-D676 IonicContact CZ-OD2 2.71Å; R578-D676 IonicContact NE-OD2 3.33Å; R578-D676 PolarHBondContact NE-OD2 2.65Å; R578-D676 IonicContact NH2-OD1 2.78Å; R578-D676 IonicContact NH2-OD2 2.64Å; R578-D676 PolarHBondContact NH2-OD2 3.45Å; R578-Y678 WeakPolarHBondContact CB-OH 3.45Å
579	M	98.5	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-29.8	177.6	-172.8	66.9	80.4	0	0	112.4	P575 F576 E577 A583 Y678 I705 C715 I736	P575-M579 WeakPolarHBondContact O-CB 3.25Å; P575-M579 PolarHBondContact O-N 2.71Å; F576-M579 WeakPolarHBondContact O-CB 3.24Å; F576-M579 PolarHBondContact O-N 2.84Å; E577-M579 VanDerWaalsContact C-N 3.27Å; E577-M579 PolarHBondContact O-N 2.81Å; M579-A583 WeakPolarHBondContact O-CB 3.39Å; M579-A583 PolarHBondContact O-N 2.95Å; M579-Y678 HydrophobicContact CE-CD1 4.08Å; M579-Y678 HydrophobicContact CE-CE1 3.75Å; M579-Y678 HydrophobicContact SD-CD1 4.34Å; M579-Y678 HydrophobicContact SD-CE1 4.14Å; M579-I705 HydrophobicContact SD-CB 4.24Å; M579-I705 HydrophobicContact SD-CG2 3.9Å; M579-C715 HydrophobicContact CG-CB 3.66Å; M579-C715 HydrophobicContact SD-CB 3.63Å; M579-I736 HydrophobicContact CB-CD1 4Å; M579-I736 HydrophobicContact CB-CG2 4.22Å; M579-I736 HydrophobicContact CG-CD1 3.85Å; M579-I736 HydrophobicContact CG-CG1 3.94Å; M579-I736 HydrophobicContact CG-CG2 3.91Å
580	I	98.7	Very high	98.1	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.062	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-49	170.4	-63.3	169	0	0	0	110.6	F576 E577 R578 T584 I736 L747 C757 I766	F576-I580 PolarHBondContact O-N 3.25Å; E577-I580 WeakPolarHBondContact O-CB 3.28Å; E577-I580 PolarHBondContact O-N 2.62Å; E577-I580 VanDerWaalsContact O-N 3.11Å; R578-I580 VanDerWaalsContact C-N 3.26Å; R578-I580 PolarHBondContact O-N 2.68Å; I580-T584 VanDerWaalsContact O-CB 3.28Å; I580-T584 WeakPolarHBondContact O-CB 3.4Å; I580-T584 PolarHBondContact O-N 3.09Å; I580-T584 PolarHBondContact O-OG1 2.93Å; I580-I736 HydrophobicContact CB-CD1 4.29Å; I580-I736 HydrophobicContact CG1-CD1 3.52Å; I580-L747 HydrophobicContact CG1-CD2 4.41Å; I580-L747 HydrophobicContact CG2-CD2 3.98Å; I580-C757 VanDerWaalsContact CD1-SG 3.58Å; I580-C757 HydrophobicContact CG2-CB 4.33Å; I580-I766 HydrophobicContact CG2-CB 4.47Å; I580-I766 HydrophobicContact CG2-CD1 3.93Å; I580-I766 HydrophobicContact CG2-CG1 3.75Å; I580-I766 HydrophobicContact CG2-CG2 3.98Å
581	Y	98.8	Very high	98.1	Very high	51 Å²	51	29.7 Å²	29.7	20%	0.2	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-43.5	-179.3	-70.1	-65.9	0	0	0	112.6	L565 R568 T572 E577 R578 T584 F585 I766	L565-Y581 HydrophobicContact CD2-CD1 4.19Å; R568-Y581 HydrophobicContact CB-CD1 3.9Å; R568-Y581 HydrophobicContact CB-CD2 4.36Å; R568-Y581 HydrophobicContact CB-CE1 3.94Å; R568-Y581 HydrophobicContact CB-CE2 4.39Å; R568-Y581 HydrophobicContact CB-CG 4.12Å; R568-Y581 HydrophobicContact CG-CE1 4.42Å; T572-Y581 HydrophobicContact CG2-CE2 4.49Å; E577-Y581 VanDerWaalsContact O-CD2 3.29Å; E577-Y581 WeakPolarHBondContact O-CD2 2.92Å; E577-Y581 PolarHBondContact O-N 2.85Å; R578-Y581 PolarHBondContact O-N 3.43Å; R578-Y581 VanDerWaalsContact O-N 3.11Å; Y581-T584 PolarHBondContact O-N 3.49Å; Y581-F585 WeakPolarHBondContact O-CB 3.41Å; Y581-F585 PolarHBondContact O-N 2.85Å; Y581-I766 HydrophobicContact CD1-CG2 4.05Å; Y581-I766 HydrophobicContact CE1-CG2 4.04Å
582	I	98.8	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.8	-49.9	174.6	-62.9	-63.8	0	0	0	110.6	L566 A569 R578 T584 F585 V586 V669 L671 Y678 I705	L566-I582 HydrophobicContact CD2-CD1 3.7Å; A569-I582 HydrophobicContact CB-CD1 3.98Å; A569-I582 HydrophobicContact CB-CG1 4.24Å; R578-I582 WeakPolarHBondContact O-CG1 3.21Å; R578-I582 PolarHBondContact O-N 3.33Å; I582-T584 VanDerWaalsContact C-N 3.28Å; I582-T584 PolarHBondContact O-N 2.83Å; I582-F585 WeakPolarHBondContact O-CB 3.21Å; I582-F585 PolarHBondContact O-N 2.93Å; I582-V586 WeakPolarHBondContact O-CG2 3.26Å; I582-V586 PolarHBondContact O-N 3.37Å; I582-V669 HydrophobicContact CD1-CG1 4.25Å; I582-L671 HydrophobicContact CD1-CD1 4.39Å; I582-Y678 HydrophobicContact CD1-CD2 3.98Å; I582-Y678 HydrophobicContact CD1-CE2 4.2Å; I582-Y678 HydrophobicContact CD1-CG 4.41Å; I582-Y678 HydrophobicContact CG1-CD1 4.26Å; I582-Y678 HydrophobicContact CG1-CD2 3.92Å; I582-Y678 HydrophobicContact CG1-CE1 4.21Å; I582-Y678 HydrophobicContact CG1-CE2 3.88Å; I582-Y678 HydrophobicContact CG1-CG 4.11Å; I582-Y678 HydrophobicContact CG2-CD1 4.11Å; I582-Y678 HydrophobicContact CG2-CG 4.07Å; I582-I705 HydrophobicContact CG2-CG2 3.98Å
583	A	98.8	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-40.1	178	0	0	0	0	0	112.7	M579 V586 V587 I705 I717 L747	M579-A583 WeakPolarHBondContact O-CB 3.39Å; M579-A583 PolarHBondContact O-N 2.95Å; A583-V586 PolarHBondContact O-N 3.29Å; A583-V587 PolarHBondContact O-N 2.94Å; A583-I705 HydrophobicContact CB-CD1 3.96Å; A583-I717 HydrophobicContact CB-CD1 3.81Å; A583-I717 WeakPolarHBondContact O-CD1 3.32Å; A583-L747 HydrophobicContact CB-CD1 3.48Å; A583-L747 VanDerWaalsContact CB-CD1 3.48Å
584	T	98.8	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68	-39.7	177.3	-57.5	0	0	0	0	111.9	L565 I580 Y581 I582 V586 V587 S588 V755 I766 W767	L565-T584 HydrophobicContact CD1-CG2 4.06Å; L565-T584 HydrophobicContact CD2-CG2 4.35Å; I580-T584 VanDerWaalsContact O-CB 3.28Å; I580-T584 WeakPolarHBondContact O-CB 3.4Å; I580-T584 PolarHBondContact O-N 3.09Å; I580-T584 PolarHBondContact O-OG1 2.93Å; Y581-T584 PolarHBondContact O-N 3.49Å; I582-T584 VanDerWaalsContact C-N 3.28Å; I582-T584 PolarHBondContact O-N 2.83Å; T584-V586 PolarHBondContact O-N 3.46Å; T584-V587 PolarHBondContact O-N 3.41Å; T584-S588 PolarHBondContact O-N 3.37Å; T584-V755 HydrophobicContact CG2-CB 4.06Å; T584-V755 HydrophobicContact CG2-CG1 4.16Å; T584-I766 HydrophobicContact CG2-CB 4.26Å; T584-I766 HydrophobicContact CG2-CG2 3.92Å; T584-W767 HydrophobicContact CG2-CB 3.26Å; T584-W767 HydrophobicContact CG2-CG 4.05Å
585	F	98.8	Very high	97.3	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.022	12%	0.123	C	C	.	.	H	α-helix	trans	-57.9	-46.7	172.6	171.4	-98.3	0	0	0	111.2	E559 L560 L565 L566 Y581 I582 V587 S588 G589 F644 W680	E559-F585 WeakPolarHBondContact O-CE2 3.49Å; E559-F585 VanDerWaalsContact O-CZ 3.22Å; E559-F585 WeakPolarHBondContact O-CZ 3.04Å; L560-F585 HydrophobicContact CD2-CE2 4.27Å; L560-F585 HydrophobicContact CD2-CZ 3.99Å; L565-F585 HydrophobicContact CB-CB 4Å; L565-F585 HydrophobicContact CB-CD2 4.46Å; L565-F585 HydrophobicContact CD1-CB 4.16Å; L566-F585 HydrophobicContact CD1-CD2 4.35Å; L566-F585 HydrophobicContact CD1-CE1 4.15Å; L566-F585 HydrophobicContact CD1-CE2 3.96Å; L566-F585 HydrophobicContact CD1-CZ 3.86Å; L566-F585 HydrophobicContact CD2-CB 4.04Å; L566-F585 HydrophobicContact CD2-CD1 3.69Å; L566-F585 HydrophobicContact CD2-CD2 3.98Å; L566-F585 HydrophobicContact CD2-CE1 4.13Å; L566-F585 HydrophobicContact CD2-CE2 4.38Å; L566-F585 HydrophobicContact CD2-CG 3.62Å; L566-F585 HydrophobicContact CD2-CZ 4.46Å; L566-F585 HydrophobicContact CG-CD1 4.33Å; L566-F585 HydrophobicContact CG-CD2 3.87Å; L566-F585 HydrophobicContact CG-CE1 4.43Å; L566-F585 HydrophobicContact CG-CE2 3.99Å; L566-F585 HydrophobicContact CG-CG 4.06Å; L566-F585 HydrophobicContact CG-CZ 4.28Å; Y581-F585 WeakPolarHBondContact O-CB 3.41Å; Y581-F585 PolarHBondContact O-N 2.85Å; I582-F585 WeakPolarHBondContact O-CB 3.21Å; I582-F585 PolarHBondContact O-N 2.93Å; F585-V587 VanDerWaalsContact C-N 3.3Å; F585-V587 PolarHBondContact O-N 2.93Å; F585-S588 PolarHBondContact O-N 3.33Å; F585-S588 VanDerWaalsContact O-N 3.11Å; F585-S588 PolarHBondContact O-OG 2.8Å; F585-G589 PolarHBondContact O-N 2.77Å; F585-F644 HydrophobicContact CE1-CD2 4.22Å; F585-F644 HydrophobicContact CE1-CE2 4.01Å; F585-F644 HydrophobicContact CZ-CD2 4.24Å; F585-F644 HydrophobicContact CZ-CE2 4.05Å; F585-W680 HydrophobicContact CD1-CH2 4.11Å; F585-W680 HydrophobicContact CD1-CZ2 4.28Å; F585-W680 AromaticContact CE1-CH2 3.92Å; F585-W680 HydrophobicContact CE1-CH2 3.92Å; F585-W680 HydrophobicContact CE1-CZ2 4.02Å
586	V	98.6	Very high	96.9	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.036	11%	0.114	C	C	.	.	H	α-helix	trans	-59.4	-38.6	177.6	-176.9	0	0	0	0	112.5	I582 A583 T584 Y590 W680 V703 I705	I582-V586 WeakPolarHBondContact O-CG2 3.26Å; I582-V586 PolarHBondContact O-N 3.37Å; A583-V586 PolarHBondContact O-N 3.29Å; T584-V586 PolarHBondContact O-N 3.46Å; V586-Y590 VanDerWaalsContact O-CD2 3.25Å; V586-Y590 WeakPolarHBondContact O-CD2 3.18Å; V586-Y590 VanDerWaalsContact O-CE2 3.31Å; V586-Y590 WeakPolarHBondContact O-CE2 3.23Å; V586-W680 HydrophobicContact CG1-CG 4.34Å; V586-W680 HydrophobicContact CG2-CD2 3.62Å; V586-W680 HydrophobicContact CG2-CE3 4.13Å; V586-W680 HydrophobicContact CG2-CG 4.01Å; V586-W680 HydrophobicContact CG2-CH2 4.12Å; V586-W680 HydrophobicContact CG2-CZ2 3.63Å; V586-W680 HydrophobicContact CG2-CZ3 4.36Å; V586-V703 HydrophobicContact CG1-CG1 3.99Å; V586-V703 HydrophobicContact CG1-CG2 4.29Å; V586-I705 HydrophobicContact CB-CD1 4.24Å; V586-I705 HydrophobicContact CG2-CD1 3.75Å
587	V	98.7	Very high	96.1	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.024	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-42.2	175.3	176.1	0	0	0	0	111.4	A583 T584 F585 G589 Y590 I717 F719 V732 W751 V755	A583-V587 PolarHBondContact O-N 2.94Å; T584-V587 PolarHBondContact O-N 3.41Å; F585-V587 VanDerWaalsContact C-N 3.3Å; F585-V587 PolarHBondContact O-N 2.93Å; V587-G589 PolarHBondContact O-N 3.01Å; V587-Y590 PolarHBondContact O-N 2.85Å; V587-Y590 VanDerWaalsContact O-N 3.08Å; V587-I717 HydrophobicContact CG2-CD1 3.88Å; V587-I717 HydrophobicContact CG2-CG2 4.06Å; V587-F719 HydrophobicContact CG2-CZ 4.34Å; V587-V732 HydrophobicContact CG1-CG1 4.5Å; V587-V732 HydrophobicContact CG1-CG2 4.2Å; V587-W751 HydrophobicContact CG1-CB 3.78Å; V587-V755 HydrophobicContact CB-CG2 4.07Å; V587-V755 HydrophobicContact CG1-CG2 3.63Å
588	S	98.2	Very high	94.8	Very high	2 Å²	2	20 Å²	20	1%	0.014	11%	0.11	C	C	.	.	H	α-helix	trans	-58.8	-32.7	-176.7	78.4	0	0	0	0	113.3	N562 T584 F585 Y590 A591	N562-S588 PolarHBondContact ND2-OG 3.43Å; T584-S588 PolarHBondContact O-N 3.37Å; F585-S588 PolarHBondContact O-N 3.33Å; F585-S588 VanDerWaalsContact O-N 3.11Å; F585-S588 PolarHBondContact O-OG 2.8Å; S588-Y590 PolarHBondContact O-N 2.98Å; S588-Y590 VanDerWaalsContact O-N 3.1Å; S588-A591 VanDerWaalsContact O-CB 3.22Å; S588-A591 WeakPolarHBondContact O-CB 3.45Å; S588-A591 PolarHBondContact O-N 3.15Å
589	G	97	Very high	94.1	Very high	24 Å²	24	20.3 Å²	20.3	25%	0.247	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12	177	0	0	0	0	0	115.4	F585 V587	F585-G589 PolarHBondContact O-N 2.77Å; V587-G589 PolarHBondContact O-N 3.01Å
590	Y	97.3	Very high	93.5	Very high	22 Å²	22	24.6 Å²	24.6	9%	0.086	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-14.9	173.9	-66.5	-92.9	0	0	0	113.1	V586 V587 S588 S592 S593 K682 V683 H699 F719 W751	V586-Y590 VanDerWaalsContact O-CD2 3.25Å; V586-Y590 WeakPolarHBondContact O-CD2 3.18Å; V586-Y590 VanDerWaalsContact O-CE2 3.31Å; V586-Y590 WeakPolarHBondContact O-CE2 3.23Å; V587-Y590 PolarHBondContact O-N 2.85Å; V587-Y590 VanDerWaalsContact O-N 3.08Å; S588-Y590 PolarHBondContact O-N 2.98Å; S588-Y590 VanDerWaalsContact O-N 3.1Å; Y590-S592 PolarHBondContact O-N 2.81Å; Y590-S593 VanDerWaalsContact O-CB 3.28Å; Y590-S593 WeakPolarHBondContact O-CB 3.08Å; Y590-S593 PolarHBondContact O-N 3.02Å; Y590-S593 PolarHBondContact O-OG 3.35Å; Y590-K682 WeakPolarHBondContact OH-CA 3.46Å; Y590-K682 WeakPolarHBondContact OH-CB 3.39Å; Y590-V683 HydrophobicContact CD1-CG2 4.42Å; Y590-V683 HydrophobicContact CE1-CG2 3.58Å; Y590-V683 HydrophobicContact CE2-CG2 4.5Å; Y590-V683 PolarHBondContact OH-N 2.79Å; Y590-V683 VanDerWaalsContact OH-N 3.16Å; Y590-H699 AromaticContact CD1-CD2 3.8Å; Y590-H699 AromaticContact CD1-CG 3.8Å; Y590-H699 AromaticContact CD1-ND1 3.83Å; Y590-H699 PolarHBondContact O-NE2 2.69Å; Y590-H699 VanDerWaalsContact O-NE2 3.13Å; Y590-F719 HydrophobicContact CD1-CE1 4.4Å; Y590-F719 AromaticContact CD2-CE1 3.93Å; Y590-F719 HydrophobicContact CD2-CE1 3.93Å; Y590-F719 AromaticContact CD2-CZ 3.55Å; Y590-F719 HydrophobicContact CD2-CZ 3.55Å; Y590-F719 HydrophobicContact CE2-CE1 4.4Å; Y590-F719 HydrophobicContact CE2-CE2 4.35Å; Y590-F719 AromaticContact CE2-CZ 3.73Å; Y590-F719 HydrophobicContact CE2-CZ 3.73Å; Y590-F719 AromaticContact CG-CE1 3.94Å; Y590-F719 HydrophobicContact CG-CE1 3.94Å; Y590-F719 HydrophobicContact CG-CZ 4.05Å; Y590-W751 VanDerWaalsContact O-CZ3 3.25Å; Y590-W751 WeakPolarHBondContact O-CZ3 3.48Å
591	A	96.8	Very high	93.2	Very high	14 Å²	14	25.6 Å²	25.6	12%	0.116	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-61.3	-44.7	-168.9	0	0	0	0	0	113.7	S588 S593 F594 W751 W767	S588-A591 VanDerWaalsContact O-CB 3.22Å; S588-A591 WeakPolarHBondContact O-CB 3.45Å; S588-A591 PolarHBondContact O-N 3.15Å; A591-S593 PolarHBondContact O-N 3.37Å; A591-F594 PolarHBondContact O-N 3.14Å; A591-W751 WeakPolarHBondContact CA-O 3.37Å; A591-W751 WeakPolarHBondContact CB-O 3.49Å; A591-W767 HydrophobicContact CB-CH2 3.75Å; A591-W767 HydrophobicContact CB-CZ2 3.9Å
592	S	94.3	Very high	93	Very high	17 Å²	17	23.3 Å²	23.3	12%	0.119	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-63.1	-17.6	-177.4	79.6	0	0	0	0	113.3	E558 Y590 F594 R596	E558-S592 WeakPolarHBondContact OE2-CB 3.47Å; E558-S592 PolarHBondContact OE2-OG 2.67Å; Y590-S592 PolarHBondContact O-N 2.81Å; S592-F594 VanDerWaalsContact C-N 3.32Å; S592-F594 PolarHBondContact O-N 3.34Å; S592-R596 VanDerWaalsContact O-CD 3.23Å; S592-R596 WeakPolarHBondContact O-CD 3.18Å; S592-R596 WeakPolarHBondContact O-CG 3.46Å
593	S	94.9	Very high	92.8	Very high	14 Å²	14	26.6 Å²	26.6	10%	0.098	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-67.4	-28.1	179.4	76.3	0	0	0	0	113.9	Y590 A591 Y595 R596 H699 W751	Y590-S593 VanDerWaalsContact O-CB 3.28Å; Y590-S593 WeakPolarHBondContact O-CB 3.08Å; Y590-S593 PolarHBondContact O-N 3.02Å; Y590-S593 PolarHBondContact O-OG 3.35Å; A591-S593 PolarHBondContact O-N 3.37Å; S593-Y595 PolarHBondContact O-N 2.98Å; S593-R596 PolarHBondContact O-N 3.13Å; S593-H699 WeakPolarHBondContact CB-NE2 3.22Å; S593-H699 PolarHBondContact OG-NE2 3.42Å; S593-W751 VanDerWaalsContact OG-CZ3 3.24Å; S593-W751 WeakPolarHBondContact OG-CZ3 3.3Å
594	F	94.3	Very high	92.6	Very high	70 Å²	70	26.6 Å²	26.6	31%	0.307	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-43.6	-168.3	-179.7	-105.7	0	0	0	112.7	A591 S592 R596 N730 W751 H752	A591-F594 PolarHBondContact O-N 3.14Å; S592-F594 VanDerWaalsContact C-N 3.32Å; S592-F594 PolarHBondContact O-N 3.34Å; F594-R596 VanDerWaalsContact C-N 3.33Å; F594-N730 VanDerWaalsContact CE2-ND2 3.32Å; F594-N730 WeakPolarHBondContact CE2-ND2 3.11Å; F594-W751 HydrophobicContact CB-CH2 3.81Å; F594-W751 HydrophobicContact CB-CZ3 3.75Å; F594-W751 AromaticContact CD2-CH2 3.89Å; F594-W751 HydrophobicContact CD2-CH2 3.89Å; F594-W751 HydrophobicContact CD2-CZ2 4.46Å; F594-W751 HydrophobicContact CG-CH2 4.34Å; F594-H752 HydrophobicContact CB-CB 3.8Å; F594-H752 HydrophobicContact CD1-CB 4.37Å; F594-H752 HydrophobicContact CD2-CB 3.99Å; F594-H752 AromaticContact CD2-CD2 3.93Å; F594-H752 AromaticContact CD2-CG 3.9Å; F594-H752 AromaticContact CE1-CD2 3.91Å; F594-H752 AromaticContact CE2-CD2 3.82Å; F594-H752 HydrophobicContact CG-CB 3.8Å; F594-H752 AromaticContact CZ-CD2 3.8Å
595	Y	90.4	Very high	92.5	Very high	94 Å²	94	26.9 Å²	26.9	37%	0.369	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.6	-180	-59.5	-75.8	0	0	0	113.6	S593 M772 Y776	S593-Y595 PolarHBondContact O-N 2.98Å; Y595-M772 HydrophobicContact CD2-CE 3.69Å; Y595-M772 HydrophobicContact CD2-CG 3.84Å; Y595-M772 HydrophobicContact CD2-SD 3.56Å; Y595-M772 VanDerWaalsContact CD2-SD 3.56Å; Y595-M772 HydrophobicContact CE1-CG 4.41Å; Y595-M772 HydrophobicContact CE2-CE 4.33Å; Y595-M772 HydrophobicContact CE2-CG 3.48Å; Y595-M772 VanDerWaalsContact CE2-CG 3.48Å; Y595-M772 HydrophobicContact CE2-SD 3.66Å; Y595-M772 HydrophobicContact CG-CE 3.98Å; Y595-M772 HydrophobicContact CG-CG 4.44Å; Y595-M772 HydrophobicContact CG-SD 4.38Å; Y595-Y776 HydrophobicContact CD1-CD2 4.16Å; Y595-Y776 AromaticContact CD1-CE2 3.57Å; Y595-Y776 HydrophobicContact CD1-CE2 3.57Å; Y595-Y776 HydrophobicContact CE1-CE2 4.04Å; Y595-Y776 HydrophobicContact CG-CD2 4.39Å; Y595-Y776 HydrophobicContact CG-CE2 4.24Å
596	R	89.4	Confident	92.5	Very high	8 Å²	8	27.7 Å²	27.7	3%	0.03	16%	0.159	C	C	.	.			trans	-116.3	32.9	-164.2	-63	-178.2	64.3	-174.5	1.8	114	E548 R555 E558 S592 S593 F594 G598 G781 F782	E548-R596 IonicContact OE1-NH2 2.97Å; E548-R596 PolarHBondContact OE1-NH2 3.42Å; E548-R596 IonicContact OE2-CZ 2.74Å; E548-R596 IonicContact OE2-NE 3.74Å; E548-R596 PolarHBondContact OE2-NE 3.15Å; E548-R596 VanDerWaalsContact OE2-NE 3.11Å; E548-R596 IonicContact OE2-NH2 3.24Å; E548-R596 PolarHBondContact OE2-NH2 3Å; R555-R596 VanDerWaalsContact CZ-CZ 3.47Å; R555-R596 VanDerWaalsContact CZ-NH2 3.27Å; E558-R596 IonicContact OE1-CZ 2.74Å; E558-R596 IonicContact OE1-NH1 3.3Å; E558-R596 PolarHBondContact OE1-NH1 3.47Å; E558-R596 IonicContact OE1-NH2 3.86Å; E558-R596 PolarHBondContact OE1-NH2 2.69Å; E558-R596 IonicContact OE2-CZ 2.7Å; E558-R596 IonicContact OE2-NH1 3.94Å; E558-R596 PolarHBondContact OE2-NH1 3.01Å; S592-R596 VanDerWaalsContact O-CD 3.23Å; S592-R596 WeakPolarHBondContact O-CD 3.18Å; S592-R596 WeakPolarHBondContact O-CG 3.46Å; S593-R596 PolarHBondContact O-N 3.13Å; F594-R596 VanDerWaalsContact C-N 3.33Å; R596-G598 PolarHBondContact O-N 3.08Å; R596-G781 WeakPolarHBondContact CD-O 3.35Å; R596-G781 WeakPolarHBondContact CG-O 3.12Å; R596-F782 VanDerWaalsContact NH2-CE1 3.29Å
597	T	80.9	Confident	92.4	Very high	25 Å²	25	27.5 Å²	27.5	15%	0.153	16%	0.159	C	C	.	.	S	Bend	trans	-77.3	-8.2	178.2	70.2	0	0	0	0	113.7	R695 I697	T597-R695 VanDerWaalsContact O-CD 3.28Å; T597-R695 WeakPolarHBondContact O-CD 3.33Å; T597-R695 PolarHBondContact O-NH1 3.47Å; T597-R695 PolarHBondContact OG1-O 3.49Å; T597-I697 HydrophobicContact CG2-CB 3.87Å; T597-I697 HydrophobicContact CG2-CG2 3.83Å
598	G	71.2	Confident	92.4	Very high	37 Å²	37	27.3 Å²	27.3	38%	0.381	16%	0.158	S	C	.	.	S	Bend	trans	-80.5	-46.3	-179	0	0	0	0	0	114.8	R596 R695	R596-G598 PolarHBondContact O-N 3.08Å; G598-R695 PolarHBondContact O-NH1 2.93Å
599	G	82	Confident	92.4	Very high	22 Å²	22	27.2 Å²	27.2	23%	0.227	16%	0.157	C	C	.	.			trans	-107.9	151.7	-169.4	0	0	0	0	0	114.4
600	K	87.6	Confident	92.5	Very high	89 Å²	89	26.1 Å²	26.1	39%	0.387	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.5	170.8	-173.2	-165	169.7	-174.3	0	109.7	M542 L546 N547 E548	M542-K600 HydrophobicContact CG-CD 3.95Å; L546-K600 WeakPolarHBondContact O-CB 3.43Å; L546-K600 PolarHBondContact O-N 2.85Å; N547-K600 CarbonylContact C-O 3.58Å; N547-K600 WeakPolarHBondContact CA-O 3.48Å; N547-K600 PolarHBondContact ND2-O 2.8Å; E548-K600 VanDerWaalsContact CG-C 3.48Å; E548-K600 VanDerWaalsContact CG-O 3.31Å; E548-K600 WeakPolarHBondContact CG-O 3.48Å; E548-K600 PolarHBondContact N-O 2.99Å
601	P	92.6	Very high	92.6	Very high	34 Å²	34	25.1 Å²	25.1	22%	0.221	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	150	169.3	24.1	-32.8	0	0	0	111.4	N547 E548 L550 R555	N547-P601 PolarHBondContact ND2-O 3.13Å; E548-P601 WeakPolarHBondContact OE1-CA 3.27Å; E548-P601 WeakPolarHBondContact OE1-CB 3.29Å; L550-P601 CarbonylContact O-C 3.6Å; L550-P601 WeakPolarHBondContact O-CA 3.28Å; L550-P601 WeakPolarHBondContact O-CB 3.47Å; R555-P601 HydrophobicContact CG-CB 3.88Å; R555-P601 HydrophobicContact CG-CG 4.07Å
602	F	94.3	Very high	92.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	140.7	169.5	-79.3	-95.2	0	0	0	110.3	V544 N547 E548 L550 N551 A552 P604 D810 Q811 L814 K826	V544-F602 HydrophobicContact CG2-CE1 4.02Å; V544-F602 HydrophobicContact CG2-CZ 3.64Å; N547-F602 HydrophobicContact CB-CD2 4.2Å; N547-F602 HydrophobicContact CB-CE2 3.88Å; N547-F602 HydrophobicContact CB-CZ 4.09Å; N547-F602 PolarHBondContact ND2-N 3.23Å; E548-F602 WeakPolarHBondContact O-CD2 3.5Å; E548-F602 VanDerWaalsContact O-CE2 3.3Å; E548-F602 WeakPolarHBondContact O-CE2 3.37Å; L550-F602 PolarHBondContact O-N 3.25Å; N551-F602 WeakPolarHBondContact CA-O 3.24Å; N551-F602 HydrophobicContact CB-CB 3.88Å; A552-F602 PolarHBondContact N-O 3.5Å; A552-F602 VanDerWaalsContact N-O 3.07Å; F602-P604 WeakPolarHBondContact O-CD 3.43Å; F602-D810 HydrophobicContact CE1-CB 4.37Å; F602-D810 VanDerWaalsContact CE1-OD2 3.25Å; F602-D810 WeakPolarHBondContact CE1-OD2 3.36Å; F602-Q811 HydrophobicContact CD2-CB 4.06Å; F602-Q811 HydrophobicContact CD2-CG 3.79Å; F602-Q811 HydrophobicContact CE2-CB 3.9Å; F602-Q811 HydrophobicContact CE2-CG 3.77Å; F602-Q811 HydrophobicContact CG-CB 4.48Å; F602-Q811 HydrophobicContact CZ-CB 4.17Å; F602-L814 HydrophobicContact CE2-CD2 3.64Å; F602-L814 HydrophobicContact CZ-CB 4.35Å; F602-L814 HydrophobicContact CZ-CD2 3.88Å; F602-K826 HydrophobicContact CE1-CD 4.36Å
603	N	93.1	Very high	92.7	Very high	69 Å²	69	26.2 Å²	26.2	37%	0.369	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-80.8	118.7	170.5	-170	43.2	0	0	0	107.5	H628 R808	N603-H628 PolarHBondContact ND2-CE1 3.1Å; N603-R808 PolarHBondContact O-NH1 3Å
604	P	96.3	Very high	92.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-66	147.8	-179.2	-17.5	31.5	0	0	0	111	N551 A552 L553 F602 E608 Q625 H628	N551-P604 HydrophobicContact CB-CG 4.13Å; A552-P604 HydrophobicContact CB-CG 3.87Å; L553-P604 HydrophobicContact CD1-CB 4.34Å; L553-P604 HydrophobicContact CD2-CB 4.46Å; L553-P604 HydrophobicContact CD2-CG 4.09Å; L553-P604 HydrophobicContact CG-CB 4.09Å; L553-P604 HydrophobicContact CG-CG 3.76Å; F602-P604 WeakPolarHBondContact O-CD 3.43Å; P604-E608 VanDerWaalsContact CA-OE2 3.24Å; P604-E608 WeakPolarHBondContact CA-OE2 3.28Å; P604-E608 HydrophobicContact CB-CB 4.14Å; P604-E608 HydrophobicContact CB-CG 4.38Å; P604-Q625 HydrophobicContact CB-CB 3.88Å; P604-Q625 HydrophobicContact CB-CG 3.85Å; P604-Q625 VanDerWaalsContact CG-OE1 3.27Å; P604-H628 PolarHBondContact O-ND1 3.03Å
605	V	96.9	Very high	92.8	Very high	6 Å²	6	27.5 Å²	27.5	4%	0.036	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-80.9	156.9	172.7	-60	0	0	0	0	111	G607 E608 Q625 I829 Q833 L883 W884	V605-G607 PolarHBondContact O-N 3.02Å; V605-G607 VanDerWaalsContact O-N 3.16Å; V605-E608 HydrophobicContact CG2-CB 3.93Å; V605-E608 PolarHBondContact N-OE2 2.85Å; V605-E608 WeakPolarHBondContact O-CB 3.27Å; V605-E608 PolarHBondContact O-N 3.21Å; V605-Q625 VanDerWaalsContact O-CB 3.24Å; V605-Q625 WeakPolarHBondContact O-CB 3.45Å; V605-Q625 WeakPolarHBondContact O-CG 3.46Å; V605-I829 HydrophobicContact CG1-CG2 3.72Å; V605-Q833 VanDerWaalsContact CA-OE1 3.28Å; V605-Q833 HydrophobicContact CB-CG 4.21Å; V605-Q833 HydrophobicContact CG1-CB 4.35Å; V605-Q833 HydrophobicContact CG1-CG 4.47Å; V605-L883 HydrophobicContact CG2-CB 4.11Å; V605-L883 HydrophobicContact CG2-CD1 3.97Å; V605-L883 HydrophobicContact CG2-CD2 4.19Å; V605-L883 HydrophobicContact CG2-CG 4.31Å; V605-W884 HydrophobicContact CG2-CZ3 4.44Å
606	L	97.1	Very high	93	Very high	22 Å²	22	27.3 Å²	27.3	12%	0.115	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	113.9	-175.3	-173.3	62.4	0	0	0	112.4	H628 R836 H847	L606-H628 HydrophobicContact CB-CB 4.16Å; L606-H628 HydrophobicContact CD1-CB 4.1Å; L606-R836 PolarHBondContact O-NH1 3.08Å; L606-R836 PolarHBondContact O-NH2 3.32Å; L606-H847 HydrophobicContact CD2-CB 3.89Å; L606-H847 HydrophobicContact CG-CB 4.33Å; L606-H847 VanDerWaalsContact CG-CD2 3.41Å; L606-H847 WeakPolarHBondContact CG-CD2 3.47Å
607	G	97.3	Very high	93.3	Very high	3 Å²	3	29 Å²	29	3%	0.031	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	12.4	-172.3	0	0	0	0	0	115.3	V605 Q625	V605-G607 PolarHBondContact O-N 3.02Å; V605-G607 VanDerWaalsContact O-N 3.16Å; G607-Q625 PolarHBondContact N-O 3.05Å; G607-Q625 VanDerWaalsContact N-O 3.11Å
608	E	98.7	Very high	94.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.185	C	C	.	.			trans	-65.6	143.1	160.9	-169.2	177.3	145.5	0	0	109.3	N551 L553 P604 V605 E624 Q625 T805 R808 L883 W884	N551-E608 PolarHBondContact ND2-OE1 2.88Å; L553-E608 HydrophobicContact CD1-CG 4.46Å; L553-E608 WeakPolarHBondContact CD1-O 3.41Å; P604-E608 VanDerWaalsContact CA-OE2 3.24Å; P604-E608 WeakPolarHBondContact CA-OE2 3.28Å; P604-E608 HydrophobicContact CB-CB 4.14Å; P604-E608 HydrophobicContact CB-CG 4.38Å; V605-E608 HydrophobicContact CG2-CB 3.93Å; V605-E608 PolarHBondContact N-OE2 2.85Å; V605-E608 WeakPolarHBondContact O-CB 3.27Å; V605-E608 PolarHBondContact O-N 3.21Å; E608-E624 WeakPolarHBondContact O-CA 3.43Å; E608-Q625 PolarHBondContact O-N 2.73Å; E608-T805 PolarHBondContact OE1-OG1 2.88Å; E608-T805 VanDerWaalsContact OE1-OG1 3.09Å; E608-R808 WeakPolarHBondContact OE1-CD 3.48Å; E608-R808 IonicContact OE1-NH1 3.84Å; E608-R808 IonicContact OE2-CZ 2.81Å; E608-R808 IonicContact OE2-NH1 2.78Å; E608-R808 PolarHBondContact OE2-NH1 3.01Å; E608-L883 HydrophobicContact CB-CD1 4.12Å; E608-W884 HydrophobicContact CG-CH2 4.24Å; E608-W884 HydrophobicContact CG-CZ3 4.17Å
609	T	98.6	Very high	95.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	160	-177.5	52.6	0	0	0	0	111.3	S623 E624 T803 D804 T805 F851	T609-S623 CarbonylContact C-O 3.5Å; T609-S623 VanDerWaalsContact CA-O 3.22Å; T609-S623 WeakPolarHBondContact CA-O 3.46Å; T609-S623 WeakPolarHBondContact CB-O 3.36Å; T609-E624 HydrophobicContact CG2-CB 4.22Å; T609-E624 HydrophobicContact CG2-CG 4.04Å; T609-T803 PolarHBondContact N-O 3.34Å; T609-T803 WeakPolarHBondContact OG1-CB 3.31Å; T609-T803 PolarHBondContact OG1-O 2.92Å; T609-T803 VanDerWaalsContact OG1-O 3.08Å; T609-T803 PolarHBondContact OG1-OG1 2.89Å; T609-D804 CarbonylContact O-C 3.6Å; T609-D804 VanDerWaalsContact O-CA 3.27Å; T609-D804 WeakPolarHBondContact O-CA 3.04Å; T609-D804 PolarHBondContact OG1-N 3.2Å; T609-T805 PolarHBondContact O-N 2.78Å; T609-T805 PolarHBondContact O-OG1 3Å; T609-T805 VanDerWaalsContact O-OG1 3.07Å; T609-F851 HydrophobicContact CG2-CD2 3.98Å; T609-F851 HydrophobicContact CG2-CE2 4.03Å
610	Y	98.8	Very high	96.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	127.1	167.5	174.6	-105.4	0	0	0	111.5	Q554 C557 C612 F621 V622 S623 L789 D804 R806	Q554-Y610 HydrophobicContact CB-CE1 4.45Å; Q554-Y610 HydrophobicContact CG-CD1 3.72Å; Q554-Y610 HydrophobicContact CG-CD2 3.66Å; Q554-Y610 HydrophobicContact CG-CE1 3.68Å; Q554-Y610 HydrophobicContact CG-CE2 3.57Å; Q554-Y610 HydrophobicContact CG-CG 3.73Å; C557-Y610 HydrophobicContact CB-CD1 4.49Å; C557-Y610 HydrophobicContact CB-CE1 3.92Å; Y610-C612 HydrophobicContact CE1-CB 3.89Å; Y610-F621 HydrophobicContact CD1-CD1 4.29Å; Y610-F621 AromaticContact CD1-CE1 3.95Å; Y610-F621 HydrophobicContact CD1-CE1 3.95Å; Y610-F621 HydrophobicContact CE1-CD1 4.46Å; Y610-F621 HydrophobicContact CE1-CE1 4.4Å; Y610-V622 CarbonylContact O-C 3.55Å; Y610-S623 WeakPolarHBondContact CB-OG 3.36Å; Y610-S623 PolarHBondContact N-O 2.67Å; Y610-S623 PolarHBondContact O-N 2.78Å; Y610-S623 PolarHBondContact O-OG 3.09Å; Y610-L789 HydrophobicContact CE1-CD2 4.38Å; Y610-L789 WeakPolarHBondContact CE2-O 3.34Å; Y610-L789 WeakPolarHBondContact OH-CA 3.33Å; Y610-L789 WeakPolarHBondContact OH-CB 3.37Å; Y610-L789 VanDerWaalsContact OH-CD2 3.26Å; Y610-L789 WeakPolarHBondContact OH-CD2 3.32Å; Y610-L789 PolarHBondContact OH-O 3.32Å; Y610-D804 WeakPolarHBondContact CA-OD2 3.31Å; Y610-R806 VanDerWaalsContact CE2-CZ 3.41Å; Y610-R806 PolarHBondContact OH-NH2 3.39Å
611	E	98.3	Very high	96.6	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	155.6	169	61.7	163	-119.1	0	0	113.5	F621 L800 D804 R806 Y866 W867 R870	E611-F621 CarbonylContact C-O 3.56Å; E611-F621 VanDerWaalsContact CA-O 3.3Å; E611-F621 WeakPolarHBondContact CA-O 3.36Å; E611-L800 VanDerWaalsContact CD-CD2 3.45Å; E611-L800 HydrophobicContact CG-CD2 3.55Å; E611-L800 WeakPolarHBondContact OE1-CD2 3.31Å; E611-D804 PolarHBondContact N-OD2 2.87Å; E611-R806 VanDerWaalsContact O-CZ 3.25Å; E611-R806 PolarHBondContact O-NH1 3.14Å; E611-R806 PolarHBondContact O-NH2 2.84Å; E611-Y866 HydrophobicContact CB-CE1 3.88Å; E611-Y866 WeakPolarHBondContact CB-OH 3.31Å; E611-Y866 WeakPolarHBondContact OE2-CE1 3.39Å; E611-Y866 PolarHBondContact OE2-OH 3.28Å; E611-Y866 VanDerWaalsContact OE2-OH 3.1Å; E611-W867 HydrophobicContact CB-CH2 4.01Å; E611-R870 VanDerWaalsContact CD-NE 3.32Å; E611-R870 IonicContact OE1-CZ 2.75Å; E611-R870 IonicContact OE1-NE 3.51Å; E611-R870 PolarHBondContact OE1-NE 3.42Å; E611-R870 VanDerWaalsContact OE1-NE 3.16Å; E611-R870 IonicContact OE1-NH2 2.79Å; E611-R870 PolarHBondContact OE1-NH2 2.71Å; E611-R870 VanDerWaalsContact OE2-CD 3.27Å; E611-R870 WeakPolarHBondContact OE2-CD 3.14Å; E611-R870 IonicContact OE2-CZ 3.59Å; E611-R870 IonicContact OE2-NE 3.6Å; E611-R870 PolarHBondContact OE2-NE 3.33Å; E611-R870 IonicContact OE2-NH2 3.53Å
612	C	97.9	Very high	96.9	Very high	4 Å²	4	27 Å²	27	3%	0.027	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	108	168.4	-168.9	0	0	0	0	110.3	Y610 F621	Y610-C612 HydrophobicContact CE1-CB 3.89Å; C612-F621 HydrophobicContact CB-CB 4.28Å; C612-F621 HydrophobicContact CB-CD1 4.43Å; C612-F621 PolarHBondContact N-O 3.11Å; C612-F621 PolarHBondContact O-N 2.89Å
613	D	95.6	Very high	97.1	Very high	49 Å²	49	26.9 Å²	26.9	26%	0.262	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.3	170.3	-161.7	-25.7	0	0	0	109.5	R509 P615 R620	R509-D613 PolarHBondContact NH2-O 2.75Å; D613-P615 WeakPolarHBondContact O-CD 3.48Å; D613-P615 WeakPolarHBondContact OD1-CD 3.4Å; D613-R620 WeakPolarHBondContact OD2-CD 3.47Å; D613-R620 IonicContact OD2-NE 3.16Å; D613-R620 PolarHBondContact OD2-NE 3.02Å
614	R	95.9	Very high	97.4	Very high	9 Å²	9	23.8 Å²	23.8	3%	0.034	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	77.2	177.9	-60.4	-59.4	-62.2	-131.3	6.5	110	D616 K617 G618 F619 E788	R614-D616 WeakPolarHBondContact CA-OD1 3.39Å; R614-D616 IonicContact CZ-OD1 2.67Å; R614-D616 IonicContact CZ-OD2 2.6Å; R614-D616 VanDerWaalsContact CZ-OD2 3.26Å; R614-D616 IonicContact NE-OD1 3.35Å; R614-D616 PolarHBondContact NE-OD1 3.17Å; R614-D616 VanDerWaalsContact NE-OD1 3.13Å; R614-D616 IonicContact NE-OD2 3.51Å; R614-D616 PolarHBondContact NE-OD2 2.75Å; R614-D616 IonicContact NH2-OD1 3.98Å; R614-D616 IonicContact NH2-OD2 2.69Å; R614-D616 PolarHBondContact NH2-OD2 3.48Å; R614-D616 PolarHBondContact O-N 2.9Å; R614-K617 HydrophobicContact CB-CB 3.96Å; R614-K617 CarbonylContact O-C 3.25Å; R614-K617 PolarHBondContact O-N 3.38Å; R614-G618 PolarHBondContact O-N 2.89Å; R614-F619 CarbonylContact C-O 3.57Å; R614-F619 WeakPolarHBondContact CA-O 3.39Å; R614-F619 HydrophobicContact CB-CD1 4.26Å; R614-F619 HydrophobicContact CB-CD2 4.35Å; R614-F619 HydrophobicContact CB-CE1 4.11Å; R614-F619 HydrophobicContact CB-CE2 4.17Å; R614-F619 HydrophobicContact CB-CG 4.39Å; R614-F619 HydrophobicContact CB-CZ 4.06Å; R614-F619 HydrophobicContact CG-CD2 4.35Å; R614-F619 HydrophobicContact CG-CE1 4.03Å; R614-F619 HydrophobicContact CG-CE2 3.7Å; R614-F619 HydrophobicContact CG-CZ 3.53Å; R614-F619 PolarHBondContact N-O 3.13Å; R614-F619 PolarHBondContact O-N 2.84Å; R614-E788 IonicContact CZ-OE2 3.15Å; R614-E788 IonicContact NH1-OE2 2.71Å; R614-E788 PolarHBondContact NH1-OE2 3.05Å; R614-E788 IonicContact NH2-OE2 3.77Å; R614-E788 PolarHBondContact NH2-OE2 3.06Å
615	P	94.8	Very high	97.5	Very high	102 Å²	102	23.8 Å²	23.8	66%	0.662	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-55.9	-33.4	171.3	-23.7	35	0	0	0	111.7	D613 K617 G618	D613-P615 WeakPolarHBondContact O-CD 3.48Å; D613-P615 WeakPolarHBondContact OD1-CD 3.4Å; P615-K617 VanDerWaalsContact C-N 3.27Å; P615-K617 PolarHBondContact O-N 3.06Å; P615-G618 PolarHBondContact O-N 3.07Å
616	D	94.8	Very high	97.5	Very high	91 Å²	91	23.7 Å²	23.7	49%	0.487	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-65.7	-20.1	175.5	59.8	-74.4	0	0	0	115	R509 R614	R509-D616 IonicContact CZ-OD1 3.63Å; R509-D616 IonicContact NE-OD1 2.63Å; R509-D616 PolarHBondContact NE-OD1 2.87Å; R509-D616 IonicContact NH2-OD1 2.67Å; R509-D616 PolarHBondContact NH2-OD1 3.3Å; R614-D616 WeakPolarHBondContact CA-OD1 3.39Å; R614-D616 IonicContact CZ-OD1 2.67Å; R614-D616 IonicContact CZ-OD2 2.6Å; R614-D616 VanDerWaalsContact CZ-OD2 3.26Å; R614-D616 IonicContact NE-OD1 3.35Å; R614-D616 PolarHBondContact NE-OD1 3.17Å; R614-D616 VanDerWaalsContact NE-OD1 3.13Å; R614-D616 IonicContact NE-OD2 3.51Å; R614-D616 PolarHBondContact NE-OD2 2.75Å; R614-D616 IonicContact NH2-OD1 3.98Å; R614-D616 IonicContact NH2-OD2 2.69Å; R614-D616 PolarHBondContact NH2-OD2 3.48Å; R614-D616 PolarHBondContact O-N 2.9Å
617	K	96.1	Very high	97.4	Very high	42 Å²	42	24.1 Å²	24.1	18%	0.183	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-121	11.9	174.2	-73.5	177.3	159.1	-75.1	0	113.1	D561 E564 R614 P615 F619 F785	D561-K617 VanDerWaalsContact O-CE 3.26Å; D561-K617 WeakPolarHBondContact O-CE 3.4Å; D561-K617 PolarHBondContact O-NZ 2.77Å; E564-K617 IonicContact OE2-NZ 3.14Å; E564-K617 PolarHBondContact OE2-NZ 3.02Å; R614-K617 HydrophobicContact CB-CB 3.96Å; R614-K617 CarbonylContact O-C 3.25Å; R614-K617 PolarHBondContact O-N 3.38Å; P615-K617 VanDerWaalsContact C-N 3.27Å; P615-K617 PolarHBondContact O-N 3.06Å; K617-F619 VanDerWaalsContact C-N 3.27Å; K617-F619 HydrophobicContact CB-CD1 3.74Å; K617-F619 HydrophobicContact CB-CE1 3.74Å; K617-F619 HydrophobicContact CD-CE1 3.98Å; K617-F619 PolarHBondContact O-N 3.09Å; K617-F785 HydrophobicContact CD-CE2 4.17Å
618	G	97.3	Very high	97.1	Very high	44 Å²	44	25.1 Å²	25.1	45%	0.454	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	13.9	175.8	0	0	0	0	0	116.9	R614 P615 S639	R614-G618 PolarHBondContact O-N 2.89Å; P615-G618 PolarHBondContact O-N 3.07Å; G618-S639 WeakPolarHBondContact O-CA 3.28Å; G618-S639 PolarHBondContact O-OG 2.79Å
619	F	98.3	Very high	96.5	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.9	-176.9	77.3	-106.5	0	0	0	114.2	L560 R614 K617 F621 E638 F642 F785	L560-F619 HydrophobicContact CB-CE1 3.82Å; L560-F619 HydrophobicContact CB-CE2 4.17Å; L560-F619 HydrophobicContact CB-CZ 3.52Å; L560-F619 HydrophobicContact CD1-CD2 4.01Å; L560-F619 HydrophobicContact CD1-CE1 4.49Å; L560-F619 HydrophobicContact CD1-CE2 3.68Å; L560-F619 HydrophobicContact CD1-CZ 3.93Å; L560-F619 HydrophobicContact CG-CZ 4.36Å; R614-F619 CarbonylContact C-O 3.57Å; R614-F619 WeakPolarHBondContact CA-O 3.39Å; R614-F619 HydrophobicContact CB-CD1 4.26Å; R614-F619 HydrophobicContact CB-CD2 4.35Å; R614-F619 HydrophobicContact CB-CE1 4.11Å; R614-F619 HydrophobicContact CB-CE2 4.17Å; R614-F619 HydrophobicContact CB-CG 4.39Å; R614-F619 HydrophobicContact CB-CZ 4.06Å; R614-F619 HydrophobicContact CG-CD2 4.35Å; R614-F619 HydrophobicContact CG-CE1 4.03Å; R614-F619 HydrophobicContact CG-CE2 3.7Å; R614-F619 HydrophobicContact CG-CZ 3.53Å; R614-F619 PolarHBondContact N-O 3.13Å; R614-F619 PolarHBondContact O-N 2.84Å; K617-F619 VanDerWaalsContact C-N 3.27Å; K617-F619 HydrophobicContact CB-CD1 3.74Å; K617-F619 HydrophobicContact CB-CE1 3.74Å; K617-F619 HydrophobicContact CD-CE1 3.98Å; K617-F619 PolarHBondContact O-N 3.09Å; F619-F621 HydrophobicContact CD2-CB 4.26Å; F619-F621 HydrophobicContact CE2-CB 4.02Å; F619-E638 CarbonylContact C-O 3.49Å; F619-E638 VanDerWaalsContact CA-O 3.27Å; F619-E638 WeakPolarHBondContact CA-O 3.27Å; F619-F642 HydrophobicContact CB-CE2 4.47Å; F619-F642 HydrophobicContact CB-CZ 3.97Å; F619-F642 HydrophobicContact CD1-CZ 4.32Å; F619-F642 HydrophobicContact CG-CZ 4.41Å; F619-F785 HydrophobicContact CZ-CE2 4.35Å; F619-F785 HydrophobicContact CZ-CZ 4.16Å
620	R	98.1	Very high	96	Very high	116 Å²	116	32.4 Å²	32.4	44%	0.438	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.6	164	-41.6	-167.3	-174.1	111.5	3.8	111	D613 A637 E638 W867	D613-R620 WeakPolarHBondContact OD2-CD 3.47Å; D613-R620 IonicContact OD2-NE 3.16Å; D613-R620 PolarHBondContact OD2-NE 3.02Å; R620-A637 CarbonylContact O-C 3.49Å; R620-A637 WeakPolarHBondContact O-CA 3.38Å; R620-A637 WeakPolarHBondContact O-CB 3.43Å; R620-E638 PolarHBondContact N-O 2.93Å; R620-E638 PolarHBondContact O-N 3.34Å; R620-W867 HydrophobicContact CB-CD2 4.43Å; R620-W867 HydrophobicContact CB-CH2 3.81Å; R620-W867 HydrophobicContact CB-CZ2 3.37Å; R620-W867 HydrophobicContact CB-CZ3 4.47Å; R620-W867 HydrophobicContact CG-CZ2 4.47Å
621	F	98.8	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.4	-178.5	171.7	-79	0	0	0	111	L556 C557 L560 Y610 E611 C612 F619 S623 C635 A637 W867	L556-F621 HydrophobicContact CB-CE2 4.46Å; L556-F621 HydrophobicContact CB-CZ 4.01Å; C557-F621 HydrophobicContact CB-CD1 3.94Å; C557-F621 HydrophobicContact CB-CD2 4.3Å; C557-F621 HydrophobicContact CB-CE1 3.68Å; C557-F621 HydrophobicContact CB-CE2 4.05Å; C557-F621 HydrophobicContact CB-CG 4.26Å; C557-F621 HydrophobicContact CB-CZ 3.73Å; L560-F621 HydrophobicContact CD1-CB 4.37Å; L560-F621 HydrophobicContact CD1-CD2 3.71Å; L560-F621 HydrophobicContact CD1-CG 4.48Å; Y610-F621 HydrophobicContact CD1-CD1 4.29Å; Y610-F621 AromaticContact CD1-CE1 3.95Å; Y610-F621 HydrophobicContact CD1-CE1 3.95Å; Y610-F621 HydrophobicContact CE1-CD1 4.46Å; Y610-F621 HydrophobicContact CE1-CE1 4.4Å; E611-F621 CarbonylContact C-O 3.56Å; E611-F621 VanDerWaalsContact CA-O 3.3Å; E611-F621 WeakPolarHBondContact CA-O 3.36Å; C612-F621 HydrophobicContact CB-CB 4.28Å; C612-F621 HydrophobicContact CB-CD1 4.43Å; C612-F621 PolarHBondContact N-O 3.11Å; C612-F621 PolarHBondContact O-N 2.89Å; F619-F621 HydrophobicContact CD2-CB 4.26Å; F619-F621 HydrophobicContact CE2-CB 4.02Å; F621-S623 WeakPolarHBondContact CE1-OG 3.43Å; F621-C635 HydrophobicContact CE1-CB 4.28Å; F621-C635 HydrophobicContact CE2-CB 3.55Å; F621-C635 HydrophobicContact CZ-CB 3.4Å; F621-C635 VanDerWaalsContact CZ-CB 3.4Å; F621-A637 HydrophobicContact CB-CB 3.99Å; F621-A637 HydrophobicContact CD2-CB 3.97Å; F621-A637 HydrophobicContact CG-CB 4.41Å; F621-W867 WeakPolarHBondContact O-CZ2 3.37Å
622	V	98.7	Very high	95.5	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.6	172.8	58.6	0	0	0	0	110.1	Y610 C635 H636 F852 Y866 W867	Y610-V622 CarbonylContact O-C 3.55Å; V622-C635 CarbonylContact O-C 3.46Å; V622-C635 VanDerWaalsContact O-CA 3.27Å; V622-C635 WeakPolarHBondContact O-CA 3.3Å; V622-H636 HydrophobicContact CG1-CB 4.17Å; V622-H636 WeakPolarHBondContact CG1-O 3.38Å; V622-H636 PolarHBondContact N-O 2.83Å; V622-H636 PolarHBondContact O-N 2.83Å; V622-H636 VanDerWaalsContact O-O 3.12Å; V622-F852 HydrophobicContact CG1-CZ 4.45Å; V622-Y866 HydrophobicContact CB-CD1 4.02Å; V622-Y866 HydrophobicContact CB-CE1 4.37Å; V622-Y866 HydrophobicContact CB-CG 4.22Å; V622-Y866 HydrophobicContact CG2-CD1 3.65Å; V622-Y866 HydrophobicContact CG2-CD2 3.56Å; V622-Y866 HydrophobicContact CG2-CE1 3.93Å; V622-Y866 HydrophobicContact CG2-CE2 3.85Å; V622-Y866 HydrophobicContact CG2-CG 3.46Å; V622-Y866 VanDerWaalsContact CG2-CG 3.46Å; V622-W867 HydrophobicContact CB-CZ2 4.26Å
623	S	98.8	Very high	95.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	153.8	178.3	56.7	0	0	0	0	112.8	L553 T609 Y610 F621 A634	L553-S623 WeakPolarHBondContact CB-OG 3.3Å; T609-S623 CarbonylContact C-O 3.5Å; T609-S623 VanDerWaalsContact CA-O 3.22Å; T609-S623 WeakPolarHBondContact CA-O 3.46Å; T609-S623 WeakPolarHBondContact CB-O 3.36Å; Y610-S623 WeakPolarHBondContact CB-OG 3.36Å; Y610-S623 PolarHBondContact N-O 2.67Å; Y610-S623 PolarHBondContact O-N 2.78Å; Y610-S623 PolarHBondContact O-OG 3.09Å; F621-S623 WeakPolarHBondContact CE1-OG 3.43Å; S623-A634 CarbonylContact C-O 3.57Å; S623-A634 WeakPolarHBondContact CA-O 3.25Å; S623-A634 VanDerWaalsContact CB-O 3.25Å; S623-A634 WeakPolarHBondContact CB-O 3.28Å
624	E	98.7	Very high	95.6	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.3	-179.1	-173.4	172.1	-169.1	0	0	111.2	E608 T609 V626 A634 P849 K850 F851 F852	E608-E624 WeakPolarHBondContact O-CA 3.43Å; T609-E624 HydrophobicContact CG2-CB 4.22Å; T609-E624 HydrophobicContact CG2-CG 4.04Å; E624-V626 VanDerWaalsContact C-N 3.28Å; E624-V626 HydrophobicContact CB-CG1 4.25Å; E624-V626 HydrophobicContact CG-CG1 4.36Å; E624-V626 PolarHBondContact O-N 2.63Å; E624-A634 PolarHBondContact N-O 2.77Å; E624-A634 PolarHBondContact O-N 3.04Å; E624-P849 WeakPolarHBondContact OE1-CA 3.4Å; E624-K850 PolarHBondContact OE1-N 3.32Å; E624-K850 PolarHBondContact OE2-N 3.14Å; E624-K850 VanDerWaalsContact OE2-N 3.13Å; E624-F851 PolarHBondContact OE2-N 3.17Å; E624-F852 HydrophobicContact CB-CD2 3.54Å; E624-F852 HydrophobicContact CB-CE2 3.83Å; E624-F852 PolarHBondContact OE2-N 2.79Å
625	Q	98.3	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	75.8	171	-167.5	65.3	30.5	0	0	110.9	L553 P604 V605 G607 E608 S627 I632 S633	L553-Q625 HydrophobicContact CD2-CB 4.46Å; P604-Q625 HydrophobicContact CB-CB 3.88Å; P604-Q625 HydrophobicContact CB-CG 3.85Å; P604-Q625 VanDerWaalsContact CG-OE1 3.27Å; V605-Q625 VanDerWaalsContact O-CB 3.24Å; V605-Q625 WeakPolarHBondContact O-CB 3.45Å; V605-Q625 WeakPolarHBondContact O-CG 3.46Å; G607-Q625 PolarHBondContact N-O 3.05Å; G607-Q625 VanDerWaalsContact N-O 3.11Å; E608-Q625 PolarHBondContact O-N 2.73Å; Q625-S627 VanDerWaalsContact C-N 3.26Å; Q625-S627 PolarHBondContact NE2-O 2.82Å; Q625-S627 PolarHBondContact O-N 2.98Å; Q625-I632 PolarHBondContact NE2-O 3.08Å; Q625-S633 PolarHBondContact OE1-OG 3.2Å
626	V	97.3	Very high	95.9	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.03	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	-25.3	-174.9	-61.2	0	0	0	0	114.5	E624 I632 A634 P849 F852 W860	E624-V626 VanDerWaalsContact C-N 3.28Å; E624-V626 HydrophobicContact CB-CG1 4.25Å; E624-V626 HydrophobicContact CG-CG1 4.36Å; E624-V626 PolarHBondContact O-N 2.63Å; V626-I632 HydrophobicContact CG2-CB 3.89Å; V626-I632 HydrophobicContact CG2-CG2 3.66Å; V626-I632 WeakPolarHBondContact CG2-O 3.13Å; V626-I632 PolarHBondContact N-O 3.31Å; V626-A634 HydrophobicContact CG1-CB 3.72Å; V626-A634 HydrophobicContact CG2-CB 4.07Å; V626-P849 HydrophobicContact CB-CB 4.21Å; V626-P849 HydrophobicContact CB-CG 3.79Å; V626-P849 HydrophobicContact CG1-CB 3.92Å; V626-P849 HydrophobicContact CG1-CG 4.05Å; V626-P849 WeakPolarHBondContact O-CG 3.38Å; V626-F852 HydrophobicContact CG1-CB 3.64Å; V626-F852 HydrophobicContact CG1-CD2 4.47Å; V626-F852 HydrophobicContact CG1-CG 4.15Å; V626-W860 HydrophobicContact CB-CD2 3.83Å; V626-W860 HydrophobicContact CB-CE3 3.97Å; V626-W860 HydrophobicContact CB-CG 4.3Å; V626-W860 HydrophobicContact CB-CH2 4.43Å; V626-W860 HydrophobicContact CB-CZ2 4.29Å; V626-W860 HydrophobicContact CB-CZ3 4.28Å; V626-W860 HydrophobicContact CG1-CD2 4.1Å; V626-W860 HydrophobicContact CG1-CE3 3.95Å; V626-W860 HydrophobicContact CG1-CG 4.42Å; V626-W860 HydrophobicContact CG1-CZ3 4.47Å; V626-W860 HydrophobicContact CG2-CB 4.47Å; V626-W860 HydrophobicContact CG2-CD2 3.76Å; V626-W860 HydrophobicContact CG2-CE3 4.41Å; V626-W860 HydrophobicContact CG2-CG 3.76Å; V626-W860 HydrophobicContact CG2-CZ2 4.47Å
627	S	94.9	Very high	96.1	Very high	31 Å²	31	24.8 Å²	24.8	22%	0.217	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	156.4	170.1	-165.4	0	0	0	0	112.7	Q625 P630 P631 I632	Q625-S627 VanDerWaalsContact C-N 3.26Å; Q625-S627 PolarHBondContact NE2-O 2.82Å; Q625-S627 PolarHBondContact O-N 2.98Å; S627-P630 CarbonylContact C-O 3.59Å; S627-P630 WeakPolarHBondContact CB-O 3.22Å; S627-P630 PolarHBondContact OG-O 3.11Å; S627-P631 WeakPolarHBondContact O-CA 3.37Å; S627-I632 PolarHBondContact N-O 2.8Å; S627-I632 VanDerWaalsContact N-O 3.16Å; S627-I632 PolarHBondContact O-N 3.29Å
628	H	89.9	Confident	96.2	Very high	23 Å²	23	26 Å²	26	11%	0.106	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-23.2	-179.7	-170	96.5	0	0	0	113.1	N603 P604 L606 P630 P631 Q833 R837	N603-H628 PolarHBondContact ND2-CE1 3.1Å; P604-H628 PolarHBondContact O-ND1 3.03Å; L606-H628 HydrophobicContact CB-CB 4.16Å; L606-H628 HydrophobicContact CD1-CB 4.1Å; H628-P630 CarbonylContact C-O 3.53Å; H628-P630 VanDerWaalsContact C-O 3.23Å; H628-P630 PolarHBondContact N-O 2.71Å; H628-P630 CarbonylContact O-C 3.58Å; H628-P631 WeakPolarHBondContact O-CD 3.46Å; H628-P631 VanDerWaalsContact O-N 3.13Å; H628-Q833 PolarHBondContact CE1-NE2 3.09Å; H628-Q833 PolarHBondContact CE1-OE1 3.49Å; H628-Q833 VanDerWaalsContact CE1-OE1 3.25Å; H628-Q833 PolarHBondContact ND1-OE1 2.82Å; H628-Q833 PolarHBondContact NE2-NE2 2.85Å; H628-R837 PolarHBondContact CD2-NH2 2.96Å
629	H	86.3	Confident	96.2	Very high	113 Å²	113	24.9 Å²	24.9	52%	0.523	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.4	88.4	175.7	-76.8	-6.6	0	0	0	110.4	R837	H629-R837 PolarHBondContact CD2-NH1 2.91Å; H629-R837 PolarHBondContact NE2-NH1 3.23Å
630	P	88.2	Confident	96.2	Very high	41 Å²	41	34.3 Å²	34.3	27%	0.266	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	cis	-70.4	158.6	-1.1	32.9	-38	0	0	0	112.9	S627 H628 I632 R649	S627-P630 CarbonylContact C-O 3.59Å; S627-P630 WeakPolarHBondContact CB-O 3.22Å; S627-P630 PolarHBondContact OG-O 3.11Å; H628-P630 CarbonylContact C-O 3.53Å; H628-P630 VanDerWaalsContact C-O 3.23Å; H628-P630 PolarHBondContact N-O 2.71Å; H628-P630 CarbonylContact O-C 3.58Å; P630-I632 HydrophobicContact CG-CD1 4.23Å; P630-I632 HydrophobicContact CG-CG1 4.21Å; P630-I632 PolarHBondContact O-N 2.95Å; P630-R649 HydrophobicContact CB-CG 4.38Å; P630-R649 VanDerWaalsContact CB-CZ 3.48Å; P630-R649 VanDerWaalsContact CB-NE 3.31Å
631	P	90.4	Very high	96.2	Very high	48 Å²	48	31.7 Å²	31.7	31%	0.312	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	123.3	170.9	28	-33.4	0	0	0	109.7	S627 H628 R649	S627-P631 WeakPolarHBondContact O-CA 3.37Å; H628-P631 WeakPolarHBondContact O-CD 3.46Å; H628-P631 VanDerWaalsContact O-N 3.13Å; P631-R649 WeakPolarHBondContact O-CG 3.18Å
632	I	96.1	Very high	96.2	Very high	24 Å²	24	31.7 Å²	31.7	12%	0.123	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.6	173.4	-52	177.9	0	0	0	106.9	Q625 V626 S627 P630 D647 R649	Q625-I632 PolarHBondContact NE2-O 3.08Å; V626-I632 HydrophobicContact CG2-CB 3.89Å; V626-I632 HydrophobicContact CG2-CG2 3.66Å; V626-I632 WeakPolarHBondContact CG2-O 3.13Å; V626-I632 PolarHBondContact N-O 3.31Å; S627-I632 PolarHBondContact N-O 2.8Å; S627-I632 VanDerWaalsContact N-O 3.16Å; S627-I632 PolarHBondContact O-N 3.29Å; P630-I632 HydrophobicContact CG-CD1 4.23Å; P630-I632 HydrophobicContact CG-CG1 4.21Å; P630-I632 PolarHBondContact O-N 2.95Å; I632-D647 HydrophobicContact CG2-CB 4.06Å; I632-D647 WeakPolarHBondContact CG2-OD2 3.22Å; I632-R649 HydrophobicContact CG1-CB 4.26Å
633	S	97.9	Very high	96.2	Very high	11 Å²	11	33.2 Å²	33.2	8%	0.077	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.1	174.6	-54.1	0	0	0	0	107.9	Q625 D647 V648	Q625-S633 PolarHBondContact OE1-OG 3.2Å; S633-D647 WeakPolarHBondContact O-CA 3.29Å; S633-V648 PolarHBondContact N-O 2.81Å; S633-V648 VanDerWaalsContact N-O 3.12Å; S633-V648 PolarHBondContact O-N 3.03Å
634	A	98.4	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.7	176.6	0	0	0	0	0	110.1	S623 E624 V626 Q646 D647 F852 W860	S623-A634 CarbonylContact C-O 3.57Å; S623-A634 WeakPolarHBondContact CA-O 3.25Å; S623-A634 VanDerWaalsContact CB-O 3.25Å; S623-A634 WeakPolarHBondContact CB-O 3.28Å; E624-A634 PolarHBondContact N-O 2.77Å; E624-A634 PolarHBondContact O-N 3.04Å; V626-A634 HydrophobicContact CG1-CB 3.72Å; V626-A634 HydrophobicContact CG2-CB 4.07Å; A634-Q646 WeakPolarHBondContact CA-O 3.28Å; A634-D647 HydrophobicContact CB-CB 4.03Å; A634-F852 HydrophobicContact CB-CB 4.41Å; A634-F852 HydrophobicContact CB-CD1 3.52Å; A634-F852 HydrophobicContact CB-CD2 4.42Å; A634-F852 HydrophobicContact CB-CE1 3.83Å; A634-F852 HydrophobicContact CB-CG 3.86Å; A634-F852 HydrophobicContact CB-CZ 4.42Å; A634-W860 HydrophobicContact CB-CB 3.8Å
635	C	98.8	Very high	96.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.7	174.5	70.5	0	0	0	0	112.9	L556 F621 V622 W645 Q646	L556-C635 HydrophobicContact CB-CB 4.36Å; L556-C635 HydrophobicContact CD1-CB 4.14Å; F621-C635 HydrophobicContact CE1-CB 4.28Å; F621-C635 HydrophobicContact CE2-CB 3.55Å; F621-C635 HydrophobicContact CZ-CB 3.4Å; F621-C635 VanDerWaalsContact CZ-CB 3.4Å; V622-C635 CarbonylContact O-C 3.46Å; V622-C635 VanDerWaalsContact O-CA 3.27Å; V622-C635 WeakPolarHBondContact O-CA 3.3Å; C635-W645 VanDerWaalsContact O-CA 3.28Å; C635-W645 WeakPolarHBondContact O-CA 3.18Å; C635-W645 WeakPolarHBondContact O-CB 3.4Å; C635-Q646 PolarHBondContact N-O 3.06Å; C635-Q646 PolarHBondContact O-N 2.88Å; C635-Q646 WeakPolarHBondContact SG-CG 3.46Å
636	H	98.8	Very high	96.2	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.065	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	138.7	-178.8	-179.4	88.2	0	0	0	108.9	V622 E638 F644 W645 F852	V622-H636 HydrophobicContact CG1-CB 4.17Å; V622-H636 WeakPolarHBondContact CG1-O 3.38Å; V622-H636 PolarHBondContact N-O 2.83Å; V622-H636 PolarHBondContact O-N 2.83Å; V622-H636 VanDerWaalsContact O-O 3.12Å; H636-E638 IonicContact CD2-OE1 2.74Å; H636-E638 IonicContact CE1-OE1 3.14Å; H636-E638 WeakPolarHBondContact NE2-CG 3.23Å; H636-E638 IonicContact NE2-OE1 2.72Å; H636-E638 PolarHBondContact NE2-OE1 2.77Å; H636-F644 CarbonylContact C-O 3.57Å; H636-F644 WeakPolarHBondContact CA-O 3.14Å; H636-W645 HydrophobicContact CB-CB 4.38Å; H636-F852 HydrophobicContact CB-CE1 3.92Å; H636-F852 HydrophobicContact CB-CZ 3.99Å
637	A	98.8	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.4	179.2	0	0	0	0	0	112	L560 R620 F621 V643 F644	L560-A637 HydrophobicContact CD1-CB 3.67Å; R620-A637 CarbonylContact O-C 3.49Å; R620-A637 WeakPolarHBondContact O-CA 3.38Å; R620-A637 WeakPolarHBondContact O-CB 3.43Å; F621-A637 HydrophobicContact CB-CB 3.99Å; F621-A637 HydrophobicContact CD2-CB 3.97Å; F621-A637 HydrophobicContact CG-CB 4.41Å; A637-V643 CarbonylContact O-C 3.54Å; A637-V643 WeakPolarHBondContact O-CA 3.4Å; A637-F644 HydrophobicContact CB-CB 4.4Å; A637-F644 HydrophobicContact CB-CD1 4.28Å; A637-F644 PolarHBondContact N-O 3.35Å; A637-F644 PolarHBondContact O-N 2.67Å
638	E	97.6	Very high	96.1	Very high	66 Å²	66	34.9 Å²	34.9	31%	0.308	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.9	-171.7	-64	176	161.2	0	0	110	F619 R620 H636 V643	F619-E638 CarbonylContact C-O 3.49Å; F619-E638 VanDerWaalsContact CA-O 3.27Å; F619-E638 WeakPolarHBondContact CA-O 3.27Å; R620-E638 PolarHBondContact N-O 2.93Å; R620-E638 PolarHBondContact O-N 3.34Å; H636-E638 IonicContact CD2-OE1 2.74Å; H636-E638 IonicContact CE1-OE1 3.14Å; H636-E638 WeakPolarHBondContact NE2-CG 3.23Å; H636-E638 IonicContact NE2-OE1 2.72Å; H636-E638 PolarHBondContact NE2-OE1 2.77Å; E638-V643 HydrophobicContact CG-CG1 4.48Å
639	S	98.1	Very high	96.2	Very high	21 Å²	21	38.3 Å²	38.3	15%	0.147	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	166.2	170.9	163.3	0	0	0	0	108.6	G618 N641 F642	G618-S639 WeakPolarHBondContact O-CA 3.28Å; G618-S639 PolarHBondContact O-OG 2.79Å; S639-N641 PolarHBondContact O-N 2.88Å; S639-N641 PolarHBondContact OG-N 2.85Å; S639-N641 VanDerWaalsContact OG-N 3.09Å; S639-F642 VanDerWaalsContact CB-CE1 3.44Å; S639-F642 WeakPolarHBondContact CB-O 3.37Å; S639-F642 PolarHBondContact N-O 2.84Å
640	K	97.1	Very high	96.3	Very high	200 Å²	200	35.8 Å²	35.8	87%	0.87	18%	0.182	S	C	*	.	S	Bend	trans	-60.4	-25.9	167.2	-65.5	-179.6	179.3	178.2	0	112.4
641	N	98.1	Very high	96.1	Very high	62 Å²	62	38.2 Å²	38.2	33%	0.332	19%	0.189	S	C	.	.	S	Bend	trans	-107.2	-24.5	-169.5	-69.4	-29.3	0	0	0	113.9	D567 A570 S639 P672	D567-N641 VanDerWaalsContact OD1-CB 3.31Å; D567-N641 WeakPolarHBondContact OD1-CB 3.34Å; D567-N641 PolarHBondContact OD1-ND2 2.87Å; A570-N641 HydrophobicContact CB-CB 3.68Å; A570-N641 WeakPolarHBondContact CB-O 3.27Å; S639-N641 PolarHBondContact O-N 2.88Å; S639-N641 PolarHBondContact OG-N 2.85Å; S639-N641 VanDerWaalsContact OG-N 3.09Å; N641-P672 WeakPolarHBondContact O-CD 3.3Å
642	F	98.7	Very high	95.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.			trans	-149.6	158.3	-175.6	66.3	-97.1	0	0	0	112.6	L560 L566 F619 S639 F644 V669 M670 L671	L560-F642 HydrophobicContact CD2-CE2 4.21Å; L566-F642 HydrophobicContact CB-CB 4.26Å; L566-F642 HydrophobicContact CB-CD1 3.54Å; L566-F642 HydrophobicContact CB-CE1 3.96Å; L566-F642 HydrophobicContact CB-CG 3.88Å; L566-F642 HydrophobicContact CD1-CB 4.45Å; L566-F642 HydrophobicContact CD1-CD1 4.13Å; L566-F642 HydrophobicContact CD1-CD2 3.67Å; L566-F642 HydrophobicContact CD1-CE1 4.29Å; L566-F642 HydrophobicContact CD1-CE2 3.86Å; L566-F642 HydrophobicContact CD1-CG 3.83Å; L566-F642 HydrophobicContact CD1-CZ 4.16Å; L566-F642 HydrophobicContact CG-CD1 4.49Å; F619-F642 HydrophobicContact CB-CE2 4.47Å; F619-F642 HydrophobicContact CB-CZ 3.97Å; F619-F642 HydrophobicContact CD1-CZ 4.32Å; F619-F642 HydrophobicContact CG-CZ 4.41Å; S639-F642 VanDerWaalsContact CB-CE1 3.44Å; S639-F642 WeakPolarHBondContact CB-O 3.37Å; S639-F642 PolarHBondContact N-O 2.84Å; F642-F644 HydrophobicContact CD2-CB 4.24Å; F642-F644 HydrophobicContact CE2-CB 4.36Å; F642-V669 HydrophobicContact CB-CG1 4.41Å; F642-M670 CarbonylContact C-O 3.49Å; F642-M670 VanDerWaalsContact CA-O 3.24Å; F642-M670 WeakPolarHBondContact CA-O 3.49Å; F642-L671 HydrophobicContact CB-CD2 3.88Å
643	V	98.7	Very high	94.9	Very high	34 Å²	34	43.5 Å²	43.5	21%	0.206	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.4	164.8	-176.1	0	0	0	0	108	A637 E638 W645 V669 M670	A637-V643 CarbonylContact O-C 3.54Å; A637-V643 WeakPolarHBondContact O-CA 3.4Å; E638-V643 HydrophobicContact CG-CG1 4.48Å; V643-W645 HydrophobicContact CG1-CE3 4.12Å; V643-W645 HydrophobicContact CG1-CZ3 4.39Å; V643-V669 CarbonylContact O-C 3.56Å; V643-V669 VanDerWaalsContact O-CA 3.29Å; V643-V669 WeakPolarHBondContact O-CA 3.38Å; V643-M670 HydrophobicContact CB-CB 4.5Å; V643-M670 PolarHBondContact N-O 2.8Å; V643-M670 PolarHBondContact O-N 3.16Å
644	F	98.8	Very high	93.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.3	-176.4	166.5	-89.6	0	0	0	110	E559 L560 F585 H636 A637 F642 T667 H668 V669 W680	E559-F644 HydrophobicContact CB-CZ 4.27Å; L560-F644 HydrophobicContact CD1-CD1 4.22Å; L560-F644 HydrophobicContact CD2-CB 4.38Å; L560-F644 HydrophobicContact CD2-CD1 4.12Å; L560-F644 HydrophobicContact CD2-CD2 4.33Å; L560-F644 HydrophobicContact CD2-CE1 4.45Å; L560-F644 HydrophobicContact CD2-CG 4.04Å; L560-F644 HydrophobicContact CG-CD1 4.35Å; L560-F644 HydrophobicContact CG-CE1 4.39Å; F585-F644 HydrophobicContact CE1-CD2 4.22Å; F585-F644 HydrophobicContact CE1-CE2 4.01Å; F585-F644 HydrophobicContact CZ-CD2 4.24Å; F585-F644 HydrophobicContact CZ-CE2 4.05Å; H636-F644 CarbonylContact C-O 3.57Å; H636-F644 WeakPolarHBondContact CA-O 3.14Å; A637-F644 HydrophobicContact CB-CB 4.4Å; A637-F644 HydrophobicContact CB-CD1 4.28Å; A637-F644 PolarHBondContact N-O 3.35Å; A637-F644 PolarHBondContact O-N 2.67Å; F642-F644 HydrophobicContact CD2-CB 4.24Å; F642-F644 HydrophobicContact CE2-CB 4.36Å; F644-T667 HydrophobicContact CD2-CG2 4.28Å; F644-T667 HydrophobicContact CE2-CG2 3.48Å; F644-T667 VanDerWaalsContact CE2-CG2 3.48Å; F644-T667 HydrophobicContact CZ-CG2 3.93Å; F644-H668 WeakPolarHBondContact CA-O 3.38Å; F644-V669 HydrophobicContact CB-CG2 4.26Å; F644-V669 HydrophobicContact CD2-CG2 3.74Å; F644-V669 HydrophobicContact CG-CG2 4.49Å; F644-W680 HydrophobicContact CE2-CZ2 4.5Å
645	W	98.6	Very high	92.6	Very high	37 Å²	37	53.5 Å²	53.5	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	160.2	175.1	74.9	96.5	0	0	0	113.2	C635 H636 V643 H668 M670 H677	C635-W645 VanDerWaalsContact O-CA 3.28Å; C635-W645 WeakPolarHBondContact O-CA 3.18Å; C635-W645 WeakPolarHBondContact O-CB 3.4Å; H636-W645 HydrophobicContact CB-CB 4.38Å; V643-W645 HydrophobicContact CG1-CE3 4.12Å; V643-W645 HydrophobicContact CG1-CZ3 4.39Å; W645-H668 AromaticContact CD1-CD2 3.85Å; W645-H668 HydrophobicContact CD2-CB 3.68Å; W645-H668 VanDerWaalsContact CE2-CB 3.44Å; W645-H668 AromaticContact CE2-CD2 3.8Å; W645-H668 AromaticContact CE2-CG 3.66Å; W645-H668 HydrophobicContact CE3-CB 3.93Å; W645-H668 HydrophobicContact CG-CB 4.32Å; W645-H668 HydrophobicContact CH2-CB 3.84Å; W645-H668 HydrophobicContact CZ2-CB 3.55Å; W645-H668 AromaticContact CZ2-CG 3.77Å; W645-H668 HydrophobicContact CZ3-CB 4Å; W645-H668 PolarHBondContact N-O 2.75Å; W645-H668 VanDerWaalsContact N-O 3.07Å; W645-H668 AromaticContact NE1-CD2 3.35Å; W645-H668 PolarHBondContact NE1-CD2 2.85Å; W645-H668 VanDerWaalsContact NE1-CD2 3.35Å; W645-H668 AromaticContact NE1-CG 3.72Å; W645-H668 PolarHBondContact O-N 2.85Å; W645-M670 HydrophobicContact CH2-CG 3.74Å; W645-M670 HydrophobicContact CH2-SD 3.7Å; W645-M670 HydrophobicContact CZ3-CB 4.3Å; W645-M670 HydrophobicContact CZ3-CG 3.76Å; W645-M670 HydrophobicContact CZ3-SD 3.93Å; W645-H677 AromaticContact CH2-CD2 3.71Å; W645-H677 AromaticContact CH2-CE1 3.92Å; W645-H677 AromaticContact CH2-NE2 3.24Å; W645-H677 WeakPolarHBondContact CH2-NE2 3.42Å; W645-H677 AromaticContact CZ2-CE1 3.88Å; W645-H677 AromaticContact CZ2-NE2 3.37Å; W645-H677 WeakPolarHBondContact CZ2-NE2 3.4Å
646	Q	98.1	Very high	91.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	159.8	175.9	53.7	-174.9	-20.6	0	0	111.4	E559 A634 C635 V648 T666 T667	E559-Q646 PolarHBondContact OE2-NE2 2.94Å; A634-Q646 WeakPolarHBondContact CA-O 3.28Å; C635-Q646 PolarHBondContact N-O 3.06Å; C635-Q646 PolarHBondContact O-N 2.88Å; C635-Q646 WeakPolarHBondContact SG-CG 3.46Å; Q646-V648 HydrophobicContact CB-CG2 4.35Å; Q646-V648 HydrophobicContact CG-CG2 4.09Å; Q646-T666 WeakPolarHBondContact CB-O 3.47Å; Q646-T667 HydrophobicContact CB-CG2 4.21Å; Q646-T667 HydrophobicContact CG-CG2 4.45Å; Q646-T667 PolarHBondContact OE1-OG1 2.98Å
647	D	95.8	Very high	90.1	Very high	22 Å²	22	58.6 Å²	58.6	12%	0.118	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.8	153.8	82.2	-95.7	0	0	0	110.7	I632 S633 A634 G665 A859 W860	I632-D647 HydrophobicContact CG2-CB 4.06Å; I632-D647 WeakPolarHBondContact CG2-OD2 3.22Å; S633-D647 WeakPolarHBondContact O-CA 3.29Å; A634-D647 HydrophobicContact CB-CB 4.03Å; D647-G665 WeakPolarHBondContact O-CA 3.39Å; D647-A859 VanDerWaalsContact OD1-CA 3.27Å; D647-A859 WeakPolarHBondContact OD1-CA 3.46Å; D647-A859 WeakPolarHBondContact OD1-CB 3.06Å; D647-W860 HydrophobicContact CB-CB 3.88Å; D647-W860 HydrophobicContact CB-CG 4.42Å; D647-W860 PolarHBondContact OD1-N 3.42Å
648	V	94.8	Very high	89.3	Confident	17 Å²	17	59.5 Å²	59.5	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126	-170	-176.5	0	0	0	0	110.8	L556 S633 Q646 P663	L556-V648 HydrophobicContact CD2-CB 4.1Å; L556-V648 HydrophobicContact CD2-CG2 3.71Å; S633-V648 PolarHBondContact N-O 2.81Å; S633-V648 VanDerWaalsContact N-O 3.12Å; S633-V648 PolarHBondContact O-N 3.03Å; Q646-V648 HydrophobicContact CB-CG2 4.35Å; Q646-V648 HydrophobicContact CG-CG2 4.09Å; V648-P663 HydrophobicContact CG1-CB 4.35Å
649	R	92.5	Very high	88.6	Confident	94 Å²	94	58.5 Å²	58.5	36%	0.355	28%	0.28	S	S	.	.			trans	-118	103.7	173.3	176.9	-177.9	172.7	178.5	5.3	110.6	P630 P631 I632 V664	P630-R649 HydrophobicContact CB-CG 4.38Å; P630-R649 VanDerWaalsContact CB-CZ 3.48Å; P630-R649 VanDerWaalsContact CB-NE 3.31Å; P631-R649 WeakPolarHBondContact O-CG 3.18Å; I632-R649 HydrophobicContact CG1-CB 4.26Å; R649-V664 HydrophobicContact CB-CB 4.43Å; R649-V664 PolarHBondContact N-O 3.18Å; R649-V664 PolarHBondContact O-N 3.44Å
650	C	87.4	Confident	88.1	Confident	60 Å²	60	59 Å²	59	41%	0.405	28%	0.28	S	S	.	.			trans	-76.9	125.4	174	-68.8	0	0	0	0	112	I661	C650-I661 HydrophobicContact CB-CG2 4.18Å
651	K	85.1	Confident	87.7	Confident	92 Å²	92	51.2 Å²	51.2	40%	0.4	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	99.4	172.1	-66.2	176.2	-174.2	166.8	0	109.3	V662 V664	K651-V662 HydrophobicContact CB-CB 4.34Å; K651-V662 PolarHBondContact N-O 3.4Å; K651-V662 PolarHBondContact O-N 2.89Å; K651-V664 HydrophobicContact CD-CG2 3.8Å; K651-V664 HydrophobicContact CG-CG2 4.27Å
652	N	82.3	Confident	87.4	Confident	92 Å²	92	49.7 Å²	49.7	49%	0.492	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.5	-177.6	-59.8	4.1	0	0	0	111	E660	N652-E660 CarbonylContact C-O 3.5Å; N652-E660 VanDerWaalsContact CA-O 3.3Å; N652-E660 WeakPolarHBondContact CA-O 3.31Å
653	K	77.6	Confident	87.1	Confident	92 Å²	92	50.9 Å²	50.9	40%	0.4	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.9	174.2	-47.6	-177	-142.8	126.6	0	110.2	W655 M659 E660	K653-W655 HydrophobicContact CD-CZ2 4.22Å; K653-M659 CarbonylContact O-C 3.6Å; K653-M659 WeakPolarHBondContact O-CA 3.23Å; K653-E660 HydrophobicContact CB-CB 4.29Å; K653-E660 WeakPolarHBondContact CD-OE2 3.33Å; K653-E660 PolarHBondContact N-O 2.87Å; K653-E660 IonicContact NZ-OE2 2.69Å; K653-E660 PolarHBondContact NZ-OE2 2.89Å; K653-E660 PolarHBondContact O-N 3.48Å
654	F	75.9	Confident	86.9	Confident	70 Å²	70	52 Å²	52	31%	0.307	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.2	177	177.2	-113.1	0	0	0	110.8	L529 L537 G656 I690	L529-F654 HydrophobicContact CD1-CE2 3.78Å; L529-F654 HydrophobicContact CD1-CZ 3.8Å; L529-F654 HydrophobicContact CD2-CD1 4.4Å; L529-F654 HydrophobicContact CD2-CD2 4.47Å; L529-F654 HydrophobicContact CD2-CE1 4.27Å; L529-F654 HydrophobicContact CD2-CE2 4.35Å; L529-F654 HydrophobicContact CD2-CG 4.49Å; L529-F654 HydrophobicContact CD2-CZ 4.24Å; L529-F654 HydrophobicContact CG-CZ 4.46Å; L537-F654 HydrophobicContact CD1-CB 3.75Å; L537-F654 HydrophobicContact CD1-CD1 3.85Å; L537-F654 HydrophobicContact CD1-CG 4.08Å; F654-G656 WeakPolarHBondContact CE2-O 3.34Å; F654-G656 WeakPolarHBondContact CZ-O 3.45Å; F654-I690 HydrophobicContact CD2-CG2 4.49Å; F654-I690 HydrophobicContact CE2-CG2 3.88Å
655	W	73.5	Confident	86.5	Confident	151 Å²	151	53.5 Å²	53.5	57%	0.572	27%	0.27	S	S	*	.			trans	-115.8	33.7	-176.1	-63.3	102.9	0	0	0	112	K653 K657 S658 E660	K653-W655 HydrophobicContact CD-CZ2 4.22Å; W655-K657 VanDerWaalsContact C-N 3.34Å; W655-K657 PolarHBondContact O-N 3.29Å; W655-S658 PolarHBondContact N-O 3.28Å; W655-E660 PolarHBondContact NE1-OE2 3.24Å
656	G	72.9	Confident	86.3	Confident	26 Å²	26	54.3 Å²	54.3	27%	0.268	28%	0.28	S	S	.	.	S	Bend	trans	79.9	-71	178.3	0	0	0	0	0	113.3	F654 L691	F654-G656 WeakPolarHBondContact CE2-O 3.34Å; F654-G656 WeakPolarHBondContact CZ-O 3.45Å; G656-L691 WeakPolarHBondContact O-CD1 3.5Å
657	K	72	Confident	86.3	Confident	95 Å²	95	54.4 Å²	54.4	41%	0.413	28%	0.28	S	S	.	.	S	Bend	trans	-89.9	-21.8	176.6	-76.7	-167.1	169	-163.7	0	114.3	E120 W655 N689 I690	E120-K657 HydrophobicContact CB-CD 4.27Å; E120-K657 HydrophobicContact CG-CD 4.07Å; E120-K657 WeakPolarHBondContact OE1-CD 3.35Å; E120-K657 WeakPolarHBondContact OE1-CE 3.27Å; E120-K657 IonicContact OE1-NZ 2.77Å; E120-K657 PolarHBondContact OE1-NZ 3.16Å; E120-K657 IonicContact OE2-NZ 3.95Å; E120-K657 PolarHBondContact OE2-NZ 3.06Å; W655-K657 VanDerWaalsContact C-N 3.34Å; W655-K657 PolarHBondContact O-N 3.29Å; K657-N689 WeakPolarHBondContact O-CA 3.29Å; K657-N689 PolarHBondContact O-N 3.39Å; K657-N689 VanDerWaalsContact O-N 3.12Å; K657-I690 PolarHBondContact O-N 2.95Å
658	S	81.3	Confident	86.5	Confident	19 Å²	19	54.4 Å²	54.4	13%	0.133	28%	0.279	C	S	.	.			trans	-131.6	161.3	-175.1	-53.4	0	0	0	0	112.6	W655 I687 H688	W655-S658 PolarHBondContact N-O 3.28Å; S658-I687 CarbonylContact C-O 3.6Å; S658-I687 WeakPolarHBondContact CA-O 3.29Å; S658-I687 WeakPolarHBondContact CB-O 3.37Å; S658-H688 PolarHBondContact OG-ND1 3.46Å
659	M	82.4	Confident	86.6	Confident	45 Å²	45	53.6 Å²	53.6	22%	0.222	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.4	172.6	-178.9	174	67.1	0	0	110.2	K653 I661 C686 I687 I690	K653-M659 CarbonylContact O-C 3.6Å; K653-M659 WeakPolarHBondContact O-CA 3.23Å; M659-I661 HydrophobicContact CE-CD1 4.26Å; M659-I661 HydrophobicContact CE-CG1 4.37Å; M659-C686 CarbonylContact O-C 3.55Å; M659-C686 WeakPolarHBondContact O-CA 3.24Å; M659-I687 HydrophobicContact CE-CD1 4.07Å; M659-I687 PolarHBondContact N-O 3.37Å; M659-I687 PolarHBondContact O-N 3.31Å; M659-I690 HydrophobicContact CB-CD1 3.76Å; M659-I690 HydrophobicContact CE-CD1 3.91Å; M659-I690 HydrophobicContact SD-CD1 4.17Å
660	E	87.9	Confident	86.9	Confident	30 Å²	30	52.3 Å²	52.3	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	139.4	166.1	-75.3	179.8	159.4	0	0	109.8	N652 K653 W655 T684 S685 Y700	N652-E660 CarbonylContact C-O 3.5Å; N652-E660 VanDerWaalsContact CA-O 3.3Å; N652-E660 WeakPolarHBondContact CA-O 3.31Å; K653-E660 HydrophobicContact CB-CB 4.29Å; K653-E660 WeakPolarHBondContact CD-OE2 3.33Å; K653-E660 PolarHBondContact N-O 2.87Å; K653-E660 IonicContact NZ-OE2 2.69Å; K653-E660 PolarHBondContact NZ-OE2 2.89Å; K653-E660 PolarHBondContact O-N 3.48Å; W655-E660 PolarHBondContact NE1-OE2 3.24Å; E660-T684 HydrophobicContact CB-CG2 4.39Å; E660-T684 HydrophobicContact CG-CG2 4.3Å; E660-S685 CarbonylContact C-O 3.39Å; E660-S685 WeakPolarHBondContact CA-O 3.26Å; E660-Y700 PolarHBondContact OE1-OH 3.26Å
661	I	89.8	Confident	87.4	Confident	37 Å²	37	49.5 Å²	49.5	19%	0.19	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	109	168.6	-57.2	170.7	0	0	0	105.4	C650 M659 P663 S685 I687	C650-I661 HydrophobicContact CB-CG2 4.18Å; M659-I661 HydrophobicContact CE-CD1 4.26Å; M659-I661 HydrophobicContact CE-CG1 4.37Å; I661-P663 VanDerWaalsContact O-CD 3.28Å; I661-P663 WeakPolarHBondContact O-CD 3.31Å; I661-S685 PolarHBondContact N-O 3.05Å; I661-S685 PolarHBondContact O-N 3Å; I661-I687 HydrophobicContact CD1-CD1 4.14Å
662	V	91.6	Very high	88	Confident	30 Å²	30	48.6 Å²	48.6	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	100.5	177.7	-176.4	0	0	0	0	108.3	K651 V664 T684	K651-V662 HydrophobicContact CB-CB 4.34Å; K651-V662 PolarHBondContact N-O 3.4Å; K651-V662 PolarHBondContact O-N 2.89Å; V662-V664 HydrophobicContact CG1-CG2 4.49Å; V662-T684 HydrophobicContact CG2-CG2 4Å
663	P	92.9	Very high	88.7	Confident	25 Å²	25	51.7 Å²	51.7	16%	0.162	26%	0.262	C	S	.	.			trans	-64.7	146.9	170.3	28.6	-33.7	0	0	0	110.1	V648 I661 K682 V683	V648-P663 HydrophobicContact CG1-CB 4.35Å; I661-P663 VanDerWaalsContact O-CD 3.28Å; I661-P663 WeakPolarHBondContact O-CD 3.31Å; P663-K682 HydrophobicContact CB-CB 4Å; P663-K682 HydrophobicContact CB-CD 4.42Å; P663-K682 HydrophobicContact CG-CB 3.51Å; P663-V683 VanDerWaalsContact CD-O 3.26Å; P663-V683 WeakPolarHBondContact CD-O 3.24Å; P663-V683 WeakPolarHBondContact CG-O 3.4Å
664	V	92.9	Very high	89.6	Confident	58 Å²	58	50 Å²	50	35%	0.352	26%	0.255	S	S	.	.			trans	-137.7	127.1	174.6	-178.3	0	0	0	0	107.5	R649 K651 V662	R649-V664 HydrophobicContact CB-CB 4.43Å; R649-V664 PolarHBondContact N-O 3.18Å; R649-V664 PolarHBondContact O-N 3.44Å; K651-V664 HydrophobicContact CD-CG2 3.8Å; K651-V664 HydrophobicContact CG-CG2 4.27Å; V662-V664 HydrophobicContact CG1-CG2 4.49Å
665	G	91	Very high	90.5	Very high	31 Å²	31	48.4 Å²	48.4	32%	0.32	26%	0.259	S	S	.	.	S	Bend	trans	145.9	164.3	-168.7	0	0	0	0	0	109.6	D647	D647-G665 WeakPolarHBondContact O-CA 3.39Å
666	T	95.1	Very high	91.7	Very high	55 Å²	55	41.7 Å²	41.7	34%	0.337	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141	171.9	-54.1	0	0	0	0	108	Q646 H668 E679	Q646-T666 WeakPolarHBondContact CB-O 3.47Å; T666-H668 VanDerWaalsContact CG2-CE1 3.43Å; T666-H668 WeakPolarHBondContact CG2-CE1 3.37Å; T666-E679 HydrophobicContact CG2-CB 3.99Å
667	T	98.2	Very high	92.9	Very high	1 Å²	1	42 Å²	42	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.6	172.7	-49.2	0	0	0	0	109.2	F644 Q646 E679 W680 K682	F644-T667 HydrophobicContact CD2-CG2 4.28Å; F644-T667 HydrophobicContact CE2-CG2 3.48Å; F644-T667 VanDerWaalsContact CE2-CG2 3.48Å; F644-T667 HydrophobicContact CZ-CG2 3.93Å; Q646-T667 HydrophobicContact CB-CG2 4.21Å; Q646-T667 HydrophobicContact CG-CG2 4.45Å; Q646-T667 PolarHBondContact OE1-OG1 2.98Å; T667-E679 WeakPolarHBondContact O-CA 3.19Å; T667-W680 HydrophobicContact CG2-CH2 3.89Å; T667-W680 HydrophobicContact CG2-CZ2 3.32Å; T667-W680 PolarHBondContact N-O 2.86Å; T667-W680 PolarHBondContact O-N 3.21Å; T667-K682 VanDerWaalsContact OG1-CE 3.28Å; T667-K682 WeakPolarHBondContact OG1-CE 3.26Å
668	H	98.4	Very high	94.1	Very high	23 Å²	23	37.6 Å²	37.6	11%	0.106	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.4	-172.4	-56.7	-87.7	0	0	0	111.7	F644 W645 T666 H677 Y678 E679	F644-H668 WeakPolarHBondContact CA-O 3.38Å; W645-H668 AromaticContact CD1-CD2 3.85Å; W645-H668 HydrophobicContact CD2-CB 3.68Å; W645-H668 VanDerWaalsContact CE2-CB 3.44Å; W645-H668 AromaticContact CE2-CD2 3.8Å; W645-H668 AromaticContact CE2-CG 3.66Å; W645-H668 HydrophobicContact CE3-CB 3.93Å; W645-H668 HydrophobicContact CG-CB 4.32Å; W645-H668 HydrophobicContact CH2-CB 3.84Å; W645-H668 HydrophobicContact CZ2-CB 3.55Å; W645-H668 AromaticContact CZ2-CG 3.77Å; W645-H668 HydrophobicContact CZ3-CB 4Å; W645-H668 PolarHBondContact N-O 2.75Å; W645-H668 VanDerWaalsContact N-O 3.07Å; W645-H668 AromaticContact NE1-CD2 3.35Å; W645-H668 PolarHBondContact NE1-CD2 2.85Å; W645-H668 VanDerWaalsContact NE1-CD2 3.35Å; W645-H668 AromaticContact NE1-CG 3.72Å; W645-H668 PolarHBondContact O-N 2.85Å; T666-H668 VanDerWaalsContact CG2-CE1 3.43Å; T666-H668 WeakPolarHBondContact CG2-CE1 3.37Å; H668-H677 AromaticContact CG-NE2 3.81Å; H668-H677 AromaticContact ND1-CE1 3.95Å; H668-H677 AromaticContact ND1-NE2 3.32Å; H668-H677 PolarHBondContact ND1-NE2 3.25Å; H668-Y678 CarbonylContact C-O 3.54Å; H668-Y678 VanDerWaalsContact CA-O 3.31Å; H668-Y678 WeakPolarHBondContact CA-O 3.32Å; H668-E679 IonicContact CE1-OE2 3.96Å; H668-E679 WeakPolarHBondContact ND1-CB 3.49Å
669	V	98.7	Very high	94.9	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.2	166.5	166.1	0	0	0	0	109.6	L566 I582 F642 V643 F644 L671 H677 Y678 W680	L566-V669 HydrophobicContact CD1-CG1 4.46Å; L566-V669 HydrophobicContact CD1-CG2 4Å; L566-V669 HydrophobicContact CD2-CG1 4.25Å; L566-V669 HydrophobicContact CD2-CG2 4.24Å; I582-V669 HydrophobicContact CD1-CG1 4.25Å; F642-V669 HydrophobicContact CB-CG1 4.41Å; V643-V669 CarbonylContact O-C 3.56Å; V643-V669 VanDerWaalsContact O-CA 3.29Å; V643-V669 WeakPolarHBondContact O-CA 3.38Å; F644-V669 HydrophobicContact CB-CG2 4.26Å; F644-V669 HydrophobicContact CD2-CG2 3.74Å; F644-V669 HydrophobicContact CG-CG2 4.49Å; V669-L671 HydrophobicContact CG1-CD2 3.75Å; V669-L671 HydrophobicContact CG1-CG 4.29Å; V669-H677 CarbonylContact O-C 3.51Å; V669-Y678 PolarHBondContact N-O 3.3Å; V669-Y678 PolarHBondContact O-N 2.77Å; V669-W680 HydrophobicContact CB-CH2 4.37Å; V669-W680 HydrophobicContact CB-CZ3 4.14Å; V669-W680 HydrophobicContact CG2-CH2 3.64Å; V669-W680 HydrophobicContact CG2-CZ3 3.91Å
670	M	98.4	Very high	95.7	Very high	67 Å²	67	36.2 Å²	36.2	33%	0.33	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141	162.3	-75.2	175.4	70	0	0	110.7	F642 V643 W645 D676 H677	F642-M670 CarbonylContact C-O 3.49Å; F642-M670 VanDerWaalsContact CA-O 3.24Å; F642-M670 WeakPolarHBondContact CA-O 3.49Å; V643-M670 HydrophobicContact CB-CB 4.5Å; V643-M670 PolarHBondContact N-O 2.8Å; V643-M670 PolarHBondContact O-N 3.16Å; W645-M670 HydrophobicContact CH2-CG 3.74Å; W645-M670 HydrophobicContact CH2-SD 3.7Å; W645-M670 HydrophobicContact CZ3-CB 4.3Å; W645-M670 HydrophobicContact CZ3-CG 3.76Å; W645-M670 HydrophobicContact CZ3-SD 3.93Å; M670-D676 CarbonylContact C-O 3.59Å; M670-D676 VanDerWaalsContact CA-O 3.26Å; M670-D676 WeakPolarHBondContact CA-O 3.39Å; M670-H677 HydrophobicContact CG-CB 3.96Å
671	L	98.4	Very high	96.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	91.7	168.7	-55.7	-176.4	0	0	0	108.6	A569 A570 I582 F642 V669 R673 F674 G675 D676 Y678	A569-L671 HydrophobicContact CB-CD1 3.76Å; A570-L671 HydrophobicContact CB-CD2 4.33Å; I582-L671 HydrophobicContact CD1-CD1 4.39Å; F642-L671 HydrophobicContact CB-CD2 3.88Å; V669-L671 HydrophobicContact CG1-CD2 3.75Å; V669-L671 HydrophobicContact CG1-CG 4.29Å; L671-R673 PolarHBondContact O-N 3.15Å; L671-F674 PolarHBondContact O-N 2.89Å; L671-F674 VanDerWaalsContact O-N 3.09Å; L671-G675 PolarHBondContact O-N 3.4Å; L671-D676 HydrophobicContact CB-CB 4.38Å; L671-D676 PolarHBondContact N-O 2.87Å; L671-Y678 HydrophobicContact CD1-CD2 4.44Å; L671-Y678 HydrophobicContact CD1-CE2 3.76Å; L671-Y678 HydrophobicContact CG-CD2 4.41Å; L671-Y678 HydrophobicContact CG-CE2 4.14Å
672	P	97.2	Very high	96.5	Very high	73 Å²	73	37.4 Å²	37.4	47%	0.474	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-55.9	-32.5	-167.6	-29.2	36.8	0	0	0	114.8	N641 F674 G675	N641-P672 WeakPolarHBondContact O-CD 3.3Å; P672-F674 PolarHBondContact O-N 2.94Å; P672-G675 PolarHBondContact O-N 2.78Å
673	R	96.6	Very high	96.7	Very high	158 Å²	158	36.2 Å²	36.2	60%	0.596	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-55.3	-33.1	179	-171.5	-175.1	-176.1	168.3	0.1	114	A570 L671	A570-R673 WeakPolarHBondContact O-CD 3.46Å; L671-R673 PolarHBondContact O-N 3.15Å
674	F	95.4	Very high	96.8	Very high	56 Å²	56	36.4 Å²	36.4	25%	0.246	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-110.8	-5.5	-177.4	-60.1	-68.4	0	0	0	113.1	A570 T572 L671 P672 D676	A570-F674 WeakPolarHBondContact O-CE2 3.15Å; T572-F674 WeakPolarHBondContact O-CE2 3.41Å; T572-F674 WeakPolarHBondContact O-CZ 3.43Å; L671-F674 PolarHBondContact O-N 2.89Å; L671-F674 VanDerWaalsContact O-N 3.09Å; P672-F674 PolarHBondContact O-N 2.94Å; F674-D676 HydrophobicContact CB-CB 4.48Å; F674-D676 WeakPolarHBondContact CB-OD2 3.42Å; F674-D676 PolarHBondContact O-N 2.89Å
675	G	95.8	Very high	96.9	Very high	37 Å²	37	34.2 Å²	34.2	38%	0.381	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	10.2	-169.3	0	0	0	0	0	114.1	L671 P672 N709	L671-G675 PolarHBondContact O-N 3.4Å; P672-G675 PolarHBondContact O-N 2.78Å; G675-N709 PolarHBondContact O-ND2 3.14Å
676	D	97.8	Very high	96.9	Very high	9 Å²	9	33 Å²	33	5%	0.048	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.5	-179.1	-69.9	-36.9	0	0	0	111.2	R578 M670 L671 F674 Y678 N707	R578-D676 IonicContact CZ-OD2 2.71Å; R578-D676 IonicContact NE-OD2 3.33Å; R578-D676 PolarHBondContact NE-OD2 2.65Å; R578-D676 IonicContact NH2-OD1 2.78Å; R578-D676 IonicContact NH2-OD2 2.64Å; R578-D676 PolarHBondContact NH2-OD2 3.45Å; M670-D676 CarbonylContact C-O 3.59Å; M670-D676 VanDerWaalsContact CA-O 3.26Å; M670-D676 WeakPolarHBondContact CA-O 3.39Å; L671-D676 HydrophobicContact CB-CB 4.38Å; L671-D676 PolarHBondContact N-O 2.87Å; F674-D676 HydrophobicContact CB-CB 4.48Å; F674-D676 WeakPolarHBondContact CB-OD2 3.42Å; F674-D676 PolarHBondContact O-N 2.89Å; D676-Y678 HydrophobicContact CB-CD2 4.16Å; D676-Y678 HydrophobicContact CB-CE2 3.55Å; D676-N707 WeakPolarHBondContact CB-ND2 3.34Å; D676-N707 VanDerWaalsContact CG-ND2 3.26Å; D676-N707 PolarHBondContact OD1-ND2 2.71Å
677	H	98.2	Very high	96.6	Very high	34 Å²	34	31.4 Å²	31.4	16%	0.157	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	96.2	172.7	178.7	-162.4	0	0	0	109	W645 H668 V669 M670 N707 S708	W645-H677 AromaticContact CH2-CD2 3.71Å; W645-H677 AromaticContact CH2-CE1 3.92Å; W645-H677 AromaticContact CH2-NE2 3.24Å; W645-H677 WeakPolarHBondContact CH2-NE2 3.42Å; W645-H677 AromaticContact CZ2-CE1 3.88Å; W645-H677 AromaticContact CZ2-NE2 3.37Å; W645-H677 WeakPolarHBondContact CZ2-NE2 3.4Å; H668-H677 AromaticContact CG-NE2 3.81Å; H668-H677 AromaticContact ND1-CE1 3.95Å; H668-H677 AromaticContact ND1-NE2 3.32Å; H668-H677 PolarHBondContact ND1-NE2 3.25Å; V669-H677 CarbonylContact O-C 3.51Å; M670-H677 HydrophobicContact CG-CB 3.96Å; H677-N707 PolarHBondContact N-OD1 3.02Å; H677-N707 CarbonylContact O-C 3.56Å; H677-N707 VanDerWaalsContact O-CA 3.24Å; H677-N707 WeakPolarHBondContact O-CA 3.5Å; H677-N707 PolarHBondContact O-OD1 2.63Å; H677-S708 PolarHBondContact O-N 2.87Å; H677-S708 PolarHBondContact O-OG 2.98Å
678	Y	98.6	Very high	96.1	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	140	176.2	-62.2	-85.8	0	0	0	111.1	R578 M579 I582 H668 V669 L671 D676 I705 R706 N707	R578-Y678 WeakPolarHBondContact CB-OH 3.45Å; M579-Y678 HydrophobicContact CE-CD1 4.08Å; M579-Y678 HydrophobicContact CE-CE1 3.75Å; M579-Y678 HydrophobicContact SD-CD1 4.34Å; M579-Y678 HydrophobicContact SD-CE1 4.14Å; I582-Y678 HydrophobicContact CD1-CD2 3.98Å; I582-Y678 HydrophobicContact CD1-CE2 4.2Å; I582-Y678 HydrophobicContact CD1-CG 4.41Å; I582-Y678 HydrophobicContact CG1-CD1 4.26Å; I582-Y678 HydrophobicContact CG1-CD2 3.92Å; I582-Y678 HydrophobicContact CG1-CE1 4.21Å; I582-Y678 HydrophobicContact CG1-CE2 3.88Å; I582-Y678 HydrophobicContact CG1-CG 4.11Å; I582-Y678 HydrophobicContact CG2-CD1 4.11Å; I582-Y678 HydrophobicContact CG2-CG 4.07Å; H668-Y678 CarbonylContact C-O 3.54Å; H668-Y678 VanDerWaalsContact CA-O 3.31Å; H668-Y678 WeakPolarHBondContact CA-O 3.32Å; V669-Y678 PolarHBondContact N-O 3.3Å; V669-Y678 PolarHBondContact O-N 2.77Å; L671-Y678 HydrophobicContact CD1-CD2 4.44Å; L671-Y678 HydrophobicContact CD1-CE2 3.76Å; L671-Y678 HydrophobicContact CG-CD2 4.41Å; L671-Y678 HydrophobicContact CG-CE2 4.14Å; D676-Y678 HydrophobicContact CB-CD2 4.16Å; D676-Y678 HydrophobicContact CB-CE2 3.55Å; Y678-I705 HydrophobicContact CD1-CG2 4.4Å; Y678-R706 CarbonylContact C-O 3.5Å; Y678-R706 WeakPolarHBondContact CA-O 3.23Å; Y678-N707 HydrophobicContact CD1-CB 4.04Å; Y678-N707 HydrophobicContact CE1-CB 4.05Å
679	E	97.8	Very high	95.3	Very high	27 Å²	27	33.9 Å²	33.9	13%	0.126	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	144.5	174.8	61	172.7	156.7	0	0	111.6	T666 T667 H668 R706 S708	T666-E679 HydrophobicContact CG2-CB 3.99Å; T667-E679 WeakPolarHBondContact O-CA 3.19Å; H668-E679 IonicContact CE1-OE2 3.96Å; H668-E679 WeakPolarHBondContact ND1-CB 3.49Å; E679-R706 VanDerWaalsContact CD-CZ 3.41Å; E679-R706 HydrophobicContact CG-CG 3.63Å; E679-R706 PolarHBondContact N-O 3.24Å; E679-R706 PolarHBondContact O-N 2.82Å; E679-R706 VanDerWaalsContact O-N 3.12Å; E679-R706 IonicContact OE1-CZ 3.11Å; E679-R706 VanDerWaalsContact OE1-CZ 3.23Å; E679-R706 IonicContact OE1-NE 2.77Å; E679-R706 PolarHBondContact OE1-NE 2.8Å; E679-R706 IonicContact OE1-NH2 3.17Å; E679-R706 PolarHBondContact OE1-NH2 3.45Å; E679-R706 IonicContact OE2-CZ 3.02Å; E679-R706 IonicContact OE2-NE 2.98Å; E679-R706 IonicContact OE2-NH2 3.86Å; E679-R706 PolarHBondContact OE2-NH2 3.06Å; E679-S708 WeakPolarHBondContact CG-OG 3.4Å; E679-S708 PolarHBondContact OE1-OG 3.35Å
680	W	98.3	Very high	94.2	Very high	8 Å²	8	34.6 Å²	34.6	3%	0.03	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160.2	-179.3	67.5	92.3	0	0	0	114.3	F585 V586 F644 T667 V669 V703 S704 I705	F585-W680 HydrophobicContact CD1-CH2 4.11Å; F585-W680 HydrophobicContact CD1-CZ2 4.28Å; F585-W680 AromaticContact CE1-CH2 3.92Å; F585-W680 HydrophobicContact CE1-CH2 3.92Å; F585-W680 HydrophobicContact CE1-CZ2 4.02Å; V586-W680 HydrophobicContact CG1-CG 4.34Å; V586-W680 HydrophobicContact CG2-CD2 3.62Å; V586-W680 HydrophobicContact CG2-CE3 4.13Å; V586-W680 HydrophobicContact CG2-CG 4.01Å; V586-W680 HydrophobicContact CG2-CH2 4.12Å; V586-W680 HydrophobicContact CG2-CZ2 3.63Å; V586-W680 HydrophobicContact CG2-CZ3 4.36Å; F644-W680 HydrophobicContact CE2-CZ2 4.5Å; T667-W680 HydrophobicContact CG2-CH2 3.89Å; T667-W680 HydrophobicContact CG2-CZ2 3.32Å; T667-W680 PolarHBondContact N-O 2.86Å; T667-W680 PolarHBondContact O-N 3.21Å; V669-W680 HydrophobicContact CB-CH2 4.37Å; V669-W680 HydrophobicContact CB-CZ3 4.14Å; V669-W680 HydrophobicContact CG2-CH2 3.64Å; V669-W680 HydrophobicContact CG2-CZ3 3.91Å; W680-V703 HydrophobicContact CB-CG1 3.91Å; W680-V703 HydrophobicContact CG-CG1 4.28Å; W680-S704 WeakPolarHBondContact CA-O 3.41Å; W680-S704 WeakPolarHBondContact CB-O 3.31Å; W680-I705 HydrophobicContact CB-CB 4.31Å; W680-I705 HydrophobicContact CB-CG1 3.89Å; W680-I705 HydrophobicContact CB-CG2 4.4Å
681	N	97.3	Very high	92.9	Very high	59 Å²	59	34.3 Å²	34.3	32%	0.316	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	155.2	172.4	71.5	-82.8	0	0	0	112	E702 S704	N681-E702 PolarHBondContact ND2-O 2.71Å; N681-S704 PolarHBondContact OD1-N 2.89Å
682	K	97	Very high	91.5	Very high	32 Å²	32	37.5 Å²	37.5	14%	0.139	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-90.3	157.2	169.9	-70.5	-179.1	169.9	169.9	0	112.4	E559 Y590 P663 T667	E559-K682 IonicContact OE1-NZ 3.54Å; E559-K682 PolarHBondContact OE1-NZ 3.14Å; E559-K682 IonicContact OE2-NZ 3.76Å; E559-K682 PolarHBondContact OE2-NZ 3.2Å; Y590-K682 WeakPolarHBondContact OH-CA 3.46Å; Y590-K682 WeakPolarHBondContact OH-CB 3.39Å; P663-K682 HydrophobicContact CB-CB 4Å; P663-K682 HydrophobicContact CB-CD 4.42Å; P663-K682 HydrophobicContact CG-CB 3.51Å; T667-K682 VanDerWaalsContact OG1-CE 3.28Å; T667-K682 WeakPolarHBondContact OG1-CE 3.26Å
683	V	97.3	Very high	89.9	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.03	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-94.9	167.9	178	-68.8	0	0	0	0	112.1	Y590 P663 H699 V703 F719	Y590-V683 HydrophobicContact CD1-CG2 4.42Å; Y590-V683 HydrophobicContact CE1-CG2 3.58Å; Y590-V683 HydrophobicContact CE2-CG2 4.5Å; Y590-V683 PolarHBondContact OH-N 2.79Å; Y590-V683 VanDerWaalsContact OH-N 3.16Å; P663-V683 VanDerWaalsContact CD-O 3.26Å; P663-V683 WeakPolarHBondContact CD-O 3.24Å; P663-V683 WeakPolarHBondContact CG-O 3.4Å; V683-H699 HydrophobicContact CG2-CB 4.32Å; V683-V703 HydrophobicContact CG1-CG2 3.73Å; V683-F719 HydrophobicContact CB-CD2 4.47Å; V683-F719 HydrophobicContact CG1-CD2 3.93Å; V683-F719 HydrophobicContact CG1-CE2 4.45Å; V683-F719 HydrophobicContact CG2-CB 4.49Å; V683-F719 HydrophobicContact CG2-CD1 4.28Å; V683-F719 HydrophobicContact CG2-CD2 3.84Å; V683-F719 HydrophobicContact CG2-CE1 4.47Å; V683-F719 HydrophobicContact CG2-CE2 4.07Å; V683-F719 HydrophobicContact CG2-CG 3.95Å; V683-F719 HydrophobicContact CG2-CZ 4.37Å
684	T	95.3	Very high	88.9	Confident	29 Å²	29	37.9 Å²	37.9	18%	0.178	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.6	177.7	-64.6	0	0	0	0	110.2	E660 V662 H699 Y700	E660-T684 HydrophobicContact CB-CG2 4.39Å; E660-T684 HydrophobicContact CG-CG2 4.3Å; V662-T684 HydrophobicContact CG2-CG2 4Å; T684-H699 WeakPolarHBondContact O-CA 3.31Å; T684-Y700 HydrophobicContact CG2-CE2 3.97Å; T684-Y700 PolarHBondContact N-O 2.82Å; T684-Y700 VanDerWaalsContact N-O 3.14Å; T684-Y700 PolarHBondContact O-N 3.47Å
685	S	94.7	Very high	88.4	Confident	12 Å²	12	38 Å²	38	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	145.1	170.1	-48.4	0	0	0	0	109.9	E660 I661 E698 H699	E660-S685 CarbonylContact C-O 3.39Å; E660-S685 WeakPolarHBondContact CA-O 3.26Å; I661-S685 PolarHBondContact N-O 3.05Å; I661-S685 PolarHBondContact O-N 3Å; S685-E698 CarbonylContact C-O 3.55Å; S685-E698 WeakPolarHBondContact CA-O 3.49Å; S685-H699 WeakPolarHBondContact CB-CE1 3.36Å; S685-H699 VanDerWaalsContact CB-ND1 3.3Å; S685-H699 WeakPolarHBondContact CB-ND1 3.28Å; S685-H699 PolarHBondContact OG-CE1 3.2Å; S685-H699 PolarHBondContact OG-ND1 3.48Å
686	C	91.1	Very high	88.1	Confident	6 Å²	6	40.9 Å²	40.9	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	116.5	176.9	-177.5	0	0	0	0	110	M659 H688 I697 E698 Y700	M659-C686 CarbonylContact O-C 3.55Å; M659-C686 WeakPolarHBondContact O-CA 3.24Å; C686-H688 PolarHBondContact O-CD2 3.25Å; C686-H688 VanDerWaalsContact O-CD2 3.29Å; C686-H688 PolarHBondContact SG-NE2 3.35Å; C686-I697 WeakPolarHBondContact O-CA 3.43Å; C686-E698 PolarHBondContact N-O 2.85Å; C686-E698 PolarHBondContact O-N 3.07Å; C686-Y700 HydrophobicContact CB-CE1 3.71Å
687	I	88.9	Confident	87.8	Confident	22 Å²	22	41.1 Å²	41.1	11%	0.113	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	111	172.7	-59.9	176.3	0	0	0	107.5	S658 M659 I661 I697	S658-I687 CarbonylContact C-O 3.6Å; S658-I687 WeakPolarHBondContact CA-O 3.29Å; S658-I687 WeakPolarHBondContact CB-O 3.37Å; M659-I687 HydrophobicContact CE-CD1 4.07Å; M659-I687 PolarHBondContact N-O 3.37Å; M659-I687 PolarHBondContact O-N 3.31Å; I661-I687 HydrophobicContact CD1-CD1 4.14Å; I687-I697 HydrophobicContact CG1-CB 4.49Å; I687-I697 HydrophobicContact CG1-CD1 4.04Å; I687-I697 HydrophobicContact CG1-CG1 4.13Å
688	H	86.3	Confident	87.6	Confident	32 Å²	32	39.8 Å²	39.8	15%	0.148	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	161.3	178.2	-70.3	-103.1	0	0	0	111.4	S658 C686 I690 W696 E698	S658-H688 PolarHBondContact OG-ND1 3.46Å; C686-H688 PolarHBondContact O-CD2 3.25Å; C686-H688 VanDerWaalsContact O-CD2 3.29Å; C686-H688 PolarHBondContact SG-NE2 3.35Å; H688-I690 PolarHBondContact O-N 2.86Å; H688-I690 VanDerWaalsContact O-N 3.14Å; H688-W696 HydrophobicContact CB-CD2 3.88Å; H688-W696 VanDerWaalsContact CB-CE2 3.43Å; H688-W696 HydrophobicContact CB-CG 4.13Å; H688-W696 HydrophobicContact CB-CZ2 3.83Å; H688-W696 AromaticContact CD2-CH2 3.75Å; H688-W696 AromaticContact CD2-CZ2 3.83Å; H688-W696 AromaticContact CD2-CZ3 3.91Å; H688-W696 AromaticContact CE1-CH2 3.95Å; H688-W696 AromaticContact CG-CE2 3.62Å; H688-W696 AromaticContact CG-CH2 3.9Å; H688-W696 AromaticContact CG-CZ2 3.49Å; H688-W696 VanDerWaalsContact CG-CZ2 3.49Å; H688-W696 PolarHBondContact N-O 3.45Å; H688-W696 AromaticContact ND1-CZ2 3.61Å; H688-W696 AromaticContact NE2-CH2 3.85Å; H688-E698 IonicContact NE2-OE2 3.2Å
689	N	83.1	Confident	87.5	Confident	43 Å²	43	40.2 Å²	40.2	23%	0.23	22%	0.219	C	C	.	.			trans	55.7	31.2	174.2	-71.8	-15.1	0	0	0	113.9	K657 L691 S692 Q694	K657-N689 WeakPolarHBondContact O-CA 3.29Å; K657-N689 PolarHBondContact O-N 3.39Å; K657-N689 VanDerWaalsContact O-N 3.12Å; N689-L691 PolarHBondContact O-N 3.43Å; N689-S692 CarbonylContact O-C 3.54Å; N689-S692 WeakPolarHBondContact O-CA 3.27Å; N689-S692 PolarHBondContact O-N 3.39Å; N689-Q694 WeakPolarHBondContact CB-O 3.23Å; N689-Q694 PolarHBondContact ND2-O 3.16Å
690	I	75	Confident	87.3	Confident	15 Å²	15	41 Å²	41	8%	0.077	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.6	-171.8	-161.5	168.6	0	0	0	113.3	L525 F654 K657 M659 H688 R695	L525-I690 HydrophobicContact CD2-CD1 4.34Å; L525-I690 HydrophobicContact CD2-CG1 3.72Å; F654-I690 HydrophobicContact CD2-CG2 4.49Å; F654-I690 HydrophobicContact CE2-CG2 3.88Å; K657-I690 PolarHBondContact O-N 2.95Å; M659-I690 HydrophobicContact CB-CD1 3.76Å; M659-I690 HydrophobicContact CE-CD1 3.91Å; M659-I690 HydrophobicContact SD-CD1 4.17Å; H688-I690 PolarHBondContact O-N 2.86Å; H688-I690 VanDerWaalsContact O-N 3.14Å; I690-R695 PolarHBondContact O-NE 3.01Å
691	L	71.2	Confident	87.3	Confident	61 Å²	61	42.3 Å²	42.3	32%	0.319	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.9	175.3	-60.1	-177.8	0	0	0	114.7	W526 L529 G656 N689	W526-L691 HydrophobicContact CB-CD2 4.13Å; W526-L691 HydrophobicContact CD2-CD1 4.44Å; W526-L691 HydrophobicContact CE3-CD1 3.46Å; W526-L691 VanDerWaalsContact CE3-CD1 3.46Å; W526-L691 HydrophobicContact CE3-CD2 3.82Å; W526-L691 HydrophobicContact CE3-CG 4.27Å; W526-L691 HydrophobicContact CZ3-CD1 3.67Å; L529-L691 HydrophobicContact CD1-CD2 3.55Å; G656-L691 WeakPolarHBondContact O-CD1 3.5Å; N689-L691 PolarHBondContact O-N 3.43Å
692	S	68.2	Low	87.3	Confident	68 Å²	68	43.5 Å²	43.5	48%	0.476	24%	0.24	S	C	.	.	S	Bend	trans	-119.2	173.5	-176.6	-173.1	0	0	0	0	110.7	N689	N689-S692 CarbonylContact O-C 3.54Å; N689-S692 WeakPolarHBondContact O-CA 3.27Å; N689-S692 PolarHBondContact O-N 3.39Å
693	G	63.3	Low	87.4	Confident	76 Å²	76	42 Å²	42	78%	0.784	23%	0.234	S	C	*	.	S	Bend	trans	-75	-39	178.1	0	0	0	0	0	113.7	R695	G693-R695 PolarHBondContact O-N 3.44Å
694	Q	75.6	Confident	87.4	Confident	162 Å²	162	43.4 Å²	43.4	76%	0.757	24%	0.244	S	C	*	.			trans	-86.3	71.8	-177.7	-71.6	-179.8	-27.9	0	0	111.8	N689	N689-Q694 WeakPolarHBondContact CB-O 3.23Å; N689-Q694 PolarHBondContact ND2-O 3.16Å
695	R	86	Confident	87.5	Confident	59 Å²	59	42.1 Å²	42.1	22%	0.223	24%	0.236	C	C	.	.			trans	-77.5	136.1	173.9	-61.2	-176.1	-166.3	158.8	9.8	111.2	T597 G598 I690 G693	T597-R695 VanDerWaalsContact O-CD 3.28Å; T597-R695 WeakPolarHBondContact O-CD 3.33Å; T597-R695 PolarHBondContact O-NH1 3.47Å; T597-R695 PolarHBondContact OG1-O 3.49Å; G598-R695 PolarHBondContact O-NH1 2.93Å; I690-R695 PolarHBondContact O-NE 3.01Å; G693-R695 PolarHBondContact O-N 3.44Å
696	W	88.5	Confident	87.7	Confident	98 Å²	98	47.7 Å²	47.7	37%	0.371	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.1	172.9	61.8	-82.8	0	0	0	109.7	H688 E698	H688-W696 HydrophobicContact CB-CD2 3.88Å; H688-W696 VanDerWaalsContact CB-CE2 3.43Å; H688-W696 HydrophobicContact CB-CG 4.13Å; H688-W696 HydrophobicContact CB-CZ2 3.83Å; H688-W696 AromaticContact CD2-CH2 3.75Å; H688-W696 AromaticContact CD2-CZ2 3.83Å; H688-W696 AromaticContact CD2-CZ3 3.91Å; H688-W696 AromaticContact CE1-CH2 3.95Å; H688-W696 AromaticContact CG-CE2 3.62Å; H688-W696 AromaticContact CG-CH2 3.9Å; H688-W696 AromaticContact CG-CZ2 3.49Å; H688-W696 VanDerWaalsContact CG-CZ2 3.49Å; H688-W696 PolarHBondContact N-O 3.45Å; H688-W696 AromaticContact ND1-CZ2 3.61Å; H688-W696 AromaticContact NE2-CH2 3.85Å; W696-E698 HydrophobicContact CE3-CB 4.37Å; W696-E698 HydrophobicContact CH2-CB 4.43Å; W696-E698 HydrophobicContact CZ3-CB 3.71Å; W696-E698 HydrophobicContact CZ3-CG 4.14Å
697	I	92.2	Very high	87.9	Confident	13 Å²	13	48.1 Å²	48.1	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.1	-179.7	-169.4	168.5	0	0	0	110.3	T597 C686 I687 H699 W751	T597-I697 HydrophobicContact CG2-CB 3.87Å; T597-I697 HydrophobicContact CG2-CG2 3.83Å; C686-I697 WeakPolarHBondContact O-CA 3.43Å; I687-I697 HydrophobicContact CG1-CB 4.49Å; I687-I697 HydrophobicContact CG1-CD1 4.04Å; I687-I697 HydrophobicContact CG1-CG1 4.13Å; I697-H699 WeakPolarHBondContact CD1-CE1 3.42Å; I697-W751 HydrophobicContact CG2-CH2 3.94Å; I697-W751 HydrophobicContact CG2-CZ2 4.49Å
698	E	93.4	Very high	88.2	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.028	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.2	170.7	-162.2	-177.5	-143.8	0	0	108.9	S685 C686 H688 W696 Y700 K721 A722	S685-E698 CarbonylContact C-O 3.55Å; S685-E698 WeakPolarHBondContact CA-O 3.49Å; C686-E698 PolarHBondContact N-O 2.85Å; C686-E698 PolarHBondContact O-N 3.07Å; H688-E698 IonicContact NE2-OE2 3.2Å; W696-E698 HydrophobicContact CE3-CB 4.37Å; W696-E698 HydrophobicContact CH2-CB 4.43Å; W696-E698 HydrophobicContact CZ3-CB 3.71Å; W696-E698 HydrophobicContact CZ3-CG 4.14Å; E698-Y700 HydrophobicContact CG-CD1 4.15Å; E698-Y700 VanDerWaalsContact OE2-CD1 3.3Å; E698-Y700 WeakPolarHBondContact OE2-CD1 3.44Å; E698-K721 WeakPolarHBondContact OE1-CA 3.46Å; E698-K721 WeakPolarHBondContact OE1-CG 3.23Å; E698-K721 IonicContact OE2-NZ 3.26Å; E698-K721 PolarHBondContact OE2-NZ 3.17Å; E698-A722 PolarHBondContact OE1-N 2.91Å
699	H	96.3	Very high	88.7	Confident	12 Å²	12	53 Å²	53	6%	0.056	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.5	164.7	-61.8	-55.1	0	0	0	108.2	Y590 S593 V683 T684 S685 I697 F719 W751	Y590-H699 AromaticContact CD1-CD2 3.8Å; Y590-H699 AromaticContact CD1-CG 3.8Å; Y590-H699 AromaticContact CD1-ND1 3.83Å; Y590-H699 PolarHBondContact O-NE2 2.69Å; Y590-H699 VanDerWaalsContact O-NE2 3.13Å; S593-H699 WeakPolarHBondContact CB-NE2 3.22Å; S593-H699 PolarHBondContact OG-NE2 3.42Å; V683-H699 HydrophobicContact CG2-CB 4.32Å; T684-H699 WeakPolarHBondContact O-CA 3.31Å; S685-H699 WeakPolarHBondContact CB-CE1 3.36Å; S685-H699 VanDerWaalsContact CB-ND1 3.3Å; S685-H699 WeakPolarHBondContact CB-ND1 3.28Å; S685-H699 PolarHBondContact OG-CE1 3.2Å; S685-H699 PolarHBondContact OG-ND1 3.48Å; I697-H699 WeakPolarHBondContact CD1-CE1 3.42Å; H699-F719 HydrophobicContact CB-CD1 3.68Å; H699-F719 HydrophobicContact CB-CE1 4.26Å; H699-F719 HydrophobicContact CB-CG 4.4Å; H699-W751 AromaticContact CD2-CD2 3.71Å; H699-W751 AromaticContact CD2-CE2 3.52Å; H699-W751 AromaticContact CD2-CE3 3.84Å; H699-W751 AromaticContact CD2-CH2 3.73Å; H699-W751 AromaticContact CD2-CZ2 3.56Å; H699-W751 AromaticContact CD2-CZ3 3.85Å; H699-W751 AromaticContact NE2-CE3 3.8Å; H699-W751 AromaticContact NE2-CH2 3.34Å; H699-W751 VanDerWaalsContact NE2-CH2 3.34Å; H699-W751 WeakPolarHBondContact NE2-CH2 3.29Å; H699-W751 AromaticContact NE2-CZ2 3.96Å; H699-W751 AromaticContact NE2-CZ3 3.23Å; H699-W751 WeakPolarHBondContact NE2-CZ3 3.41Å
700	Y	95.3	Very high	89.2	Confident	42 Å²	42	52.6 Å²	52.6	17%	0.165	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	146.9	177.6	58.9	-98.4	0	0	0	113.3	E660 T684 C686 E698 K721	E660-Y700 PolarHBondContact OE1-OH 3.26Å; T684-Y700 HydrophobicContact CG2-CE2 3.97Å; T684-Y700 PolarHBondContact N-O 2.82Å; T684-Y700 VanDerWaalsContact N-O 3.14Å; T684-Y700 PolarHBondContact O-N 3.47Å; C686-Y700 HydrophobicContact CB-CE1 3.71Å; E698-Y700 HydrophobicContact CG-CD1 4.15Å; E698-Y700 VanDerWaalsContact OE2-CD1 3.3Å; E698-Y700 WeakPolarHBondContact OE2-CD1 3.44Å; Y700-K721 HydrophobicContact CD1-CD 4.41Å; Y700-K721 HydrophobicContact CD1-CG 4.29Å; Y700-K721 HydrophobicContact CG-CB 4.5Å; Y700-K721 HydrophobicContact CG-CD 4.36Å; Y700-K721 HydrophobicContact CG-CG 4.32Å
701	G	96.3	Very high	90	Very high	36 Å²	36	58.2 Å²	58.2	37%	0.371	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	135.6	-173.8	-178.2	0	0	0	0	0	111.3	F719	G701-F719 PolarHBondContact N-O 3.43Å; G701-F719 PolarHBondContact O-N 3.25Å
702	E	97.9	Very high	91.1	Very high	84 Å²	84	58 Å²	58	39%	0.393	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.8	173	-163.3	-161.4	74.2	0	0	109.4	N681 S704 K716 I717	N681-E702 PolarHBondContact ND2-O 2.71Å; E702-S704 PolarHBondContact OE1-OG 2.91Å; E702-K716 HydrophobicContact CG-CB 4.41Å; E702-K716 IonicContact OE1-NZ 3.72Å; E702-K716 PolarHBondContact OE1-NZ 2.96Å; E702-K716 IonicContact OE2-NZ 2.74Å; E702-K716 PolarHBondContact OE2-NZ 3.26Å; E702-I717 CarbonylContact C-O 3.56Å; E702-I717 WeakPolarHBondContact CA-O 3.26Å
703	V	98.4	Very high	92.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.1	159	178.4	0	0	0	0	107.1	V586 W680 V683 I705 K716 I717 F719	V586-V703 HydrophobicContact CG1-CG1 3.99Å; V586-V703 HydrophobicContact CG1-CG2 4.29Å; W680-V703 HydrophobicContact CB-CG1 3.91Å; W680-V703 HydrophobicContact CG-CG1 4.28Å; V683-V703 HydrophobicContact CG1-CG2 3.73Å; V703-I705 HydrophobicContact CG1-CD1 4.22Å; V703-I705 HydrophobicContact CG1-CG1 3.6Å; V703-K716 CarbonylContact O-C 3.51Å; V703-K716 WeakPolarHBondContact O-CA 3.31Å; V703-I717 HydrophobicContact CB-CB 4.23Å; V703-I717 PolarHBondContact N-O 3.21Å; V703-I717 PolarHBondContact O-N 2.88Å; V703-F719 HydrophobicContact CG2-CD2 4.28Å; V703-F719 HydrophobicContact CG2-CE2 3.8Å
704	S	98.1	Very high	93.9	Very high	36 Å²	36	55.9 Å²	55.9	25%	0.252	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.9	163.2	-79	0	0	0	0	109	W680 N681 E702	W680-S704 WeakPolarHBondContact CA-O 3.41Å; W680-S704 WeakPolarHBondContact CB-O 3.31Å; N681-S704 PolarHBondContact OD1-N 2.89Å; E702-S704 PolarHBondContact OE1-OG 2.91Å
705	I	98.5	Very high	94.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.8	176.6	-45.6	178.5	0	0	0	108.3	M579 I582 A583 V586 Y678 W680 V703 C715 I717	M579-I705 HydrophobicContact SD-CB 4.24Å; M579-I705 HydrophobicContact SD-CG2 3.9Å; I582-I705 HydrophobicContact CG2-CG2 3.98Å; A583-I705 HydrophobicContact CB-CD1 3.96Å; V586-I705 HydrophobicContact CB-CD1 4.24Å; V586-I705 HydrophobicContact CG2-CD1 3.75Å; Y678-I705 HydrophobicContact CD1-CG2 4.4Å; W680-I705 HydrophobicContact CB-CB 4.31Å; W680-I705 HydrophobicContact CB-CG1 3.89Å; W680-I705 HydrophobicContact CB-CG2 4.4Å; V703-I705 HydrophobicContact CG1-CD1 4.22Å; V703-I705 HydrophobicContact CG1-CG1 3.6Å; I705-C715 HydrophobicContact CB-CB 4.19Å; I705-C715 HydrophobicContact CD1-CB 4.48Å; I705-C715 PolarHBondContact N-O 2.91Å; I705-C715 PolarHBondContact O-N 2.86Å; I705-I717 HydrophobicContact CD1-CD1 3.93Å
706	R	96.9	Very high	95.5	Very high	128 Å²	128	49.3 Å²	49.3	48%	0.483	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	160	175.8	63.3	-177.1	-176.5	-100.4	-3.8	110	Y678 E679	Y678-R706 CarbonylContact C-O 3.5Å; Y678-R706 WeakPolarHBondContact CA-O 3.23Å; E679-R706 VanDerWaalsContact CD-CZ 3.41Å; E679-R706 HydrophobicContact CG-CG 3.63Å; E679-R706 PolarHBondContact N-O 3.24Å; E679-R706 PolarHBondContact O-N 2.82Å; E679-R706 VanDerWaalsContact O-N 3.12Å; E679-R706 IonicContact OE1-CZ 3.11Å; E679-R706 VanDerWaalsContact OE1-CZ 3.23Å; E679-R706 IonicContact OE1-NE 2.77Å; E679-R706 PolarHBondContact OE1-NE 2.8Å; E679-R706 IonicContact OE1-NH2 3.17Å; E679-R706 PolarHBondContact OE1-NH2 3.45Å; E679-R706 IonicContact OE2-CZ 3.02Å; E679-R706 IonicContact OE2-NE 2.98Å; E679-R706 IonicContact OE2-NH2 3.86Å; E679-R706 PolarHBondContact OE2-NH2 3.06Å
707	N	97.1	Very high	96	Very high	15 Å²	15	44.8 Å²	44.8	8%	0.08	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.7	169.4	178.3	-9.7	0	0	0	108.2	D676 H677 Y678 N709 S710	D676-N707 WeakPolarHBondContact CB-ND2 3.34Å; D676-N707 VanDerWaalsContact CG-ND2 3.26Å; D676-N707 PolarHBondContact OD1-ND2 2.71Å; H677-N707 PolarHBondContact N-OD1 3.02Å; H677-N707 CarbonylContact O-C 3.56Å; H677-N707 VanDerWaalsContact O-CA 3.24Å; H677-N707 WeakPolarHBondContact O-CA 3.5Å; H677-N707 PolarHBondContact O-OD1 2.63Å; Y678-N707 HydrophobicContact CD1-CB 4.04Å; Y678-N707 HydrophobicContact CE1-CB 4.05Å; N707-N709 PolarHBondContact O-N 2.92Å; N707-N709 PolarHBondContact OD1-N 3Å; N707-N709 VanDerWaalsContact OD1-N 3.08Å; N707-S710 WeakPolarHBondContact CB-O 3.41Å; N707-S710 CarbonylContact O-C 3.53Å; N707-S710 PolarHBondContact O-N 3.2Å; N707-S710 PolarHBondContact OD1-N 2.85Å
708	S	95	Very high	96.3	Very high	54 Å²	54	46.1 Å²	46.1	38%	0.378	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.8	-175.3	-45	0	0	0	0	112.2	H677 E679	H677-S708 PolarHBondContact O-N 2.87Å; H677-S708 PolarHBondContact O-OG 2.98Å; E679-S708 WeakPolarHBondContact CG-OG 3.4Å; E679-S708 PolarHBondContact OE1-OG 3.35Å
709	N	95.3	Very high	96.5	Very high	103 Å²	103	46.1 Å²	46.1	55%	0.551	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-7.7	-179.1	-65.2	-14.4	0	0	0	113.5	G675 N707	G675-N709 PolarHBondContact O-ND2 3.14Å; N707-N709 PolarHBondContact O-N 2.92Å; N707-N709 PolarHBondContact OD1-N 3Å; N707-N709 VanDerWaalsContact OD1-N 3.08Å
710	S	94	Very high	96.4	Very high	34 Å²	34	47.3 Å²	47.3	24%	0.238	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	122.7	-177.3	-178.1	0	0	0	0	112.6	N707 V712	N707-S710 WeakPolarHBondContact CB-O 3.41Å; N707-S710 CarbonylContact O-C 3.53Å; N707-S710 PolarHBondContact O-N 3.2Å; N707-S710 PolarHBondContact OD1-N 2.85Å; S710-V712 VanDerWaalsContact C-N 3.33Å; S710-V712 PolarHBondContact O-N 3.37Å; S710-V712 WeakPolarHBondContact OG-CG2 3.46Å
711	N	92.6	Very high	96	Very high	133 Å²	133	49.8 Å²	49.8	71%	0.711	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	-2.4	179	66.1	-4.3	0	0	0	114.3	C713 V739	N711-C713 PolarHBondContact O-N 3.46Å; N711-C713 VanDerWaalsContact O-N 3.07Å; N711-V739 HydrophobicContact CB-CG1 4.33Å; N711-V739 WeakPolarHBondContact O-CG1 3.49Å
712	V	93.6	Very high	95.1	Very high	56 Å²	56	49.4 Å²	49.4	34%	0.339	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	-40.4	-168.8	171.3	0	0	0	0	113.3	P575 F576 S710 V739	P575-V712 HydrophobicContact CB-CG1 4.42Å; P575-V712 HydrophobicContact CG-CG1 3.84Å; F576-V712 HydrophobicContact CE2-CG1 3.99Å; F576-V712 HydrophobicContact CZ-CG1 4.11Å; S710-V712 VanDerWaalsContact C-N 3.33Å; S710-V712 PolarHBondContact O-N 3.37Å; S710-V712 WeakPolarHBondContact OG-CG2 3.46Å; V712-V739 PolarHBondContact O-N 2.86Å
713	C	94.1	Very high	94	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.061	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.4	173.7	72.3	0	0	0	0	112.9	F576 N711 I736 T737	F576-C713 HydrophobicContact CD1-CB 3.59Å; F576-C713 HydrophobicContact CE1-CB 3.36Å; F576-C713 HydrophobicContact CG-CB 4.44Å; F576-C713 HydrophobicContact CZ-CB 4.05Å; N711-C713 PolarHBondContact O-N 3.46Å; N711-C713 VanDerWaalsContact O-N 3.07Å; C713-I736 HydrophobicContact CB-CG2 4.23Å; C713-T737 WeakPolarHBondContact CA-O 3.17Å; C713-T737 WeakPolarHBondContact CB-O 3.28Å
714	Q	96	Very high	91.7	Very high	92 Å²	92	62.2 Å²	62.2	43%	0.43	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.7	174.4	64.2	-175.9	-17.5	0	0	109.5	I736 T737	Q714-I736 WeakPolarHBondContact O-CA 3.28Å; Q714-T737 WeakPolarHBondContact CG-OG1 3.4Å; Q714-T737 PolarHBondContact N-O 3.31Å; Q714-T737 PolarHBondContact NE2-OG1 2.93Å; Q714-T737 PolarHBondContact O-N 2.83Å
715	C	98.4	Very high	89.6	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.007	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.3	174.5	-172.7	0	0	0	0	112	M579 I705 T735 I736	M579-C715 HydrophobicContact CG-CB 3.66Å; M579-C715 HydrophobicContact SD-CB 3.63Å; I705-C715 HydrophobicContact CB-CB 4.19Å; I705-C715 HydrophobicContact CD1-CB 4.48Å; I705-C715 PolarHBondContact N-O 2.91Å; I705-C715 PolarHBondContact O-N 2.86Å; C715-T735 VanDerWaalsContact CA-O 3.28Å; C715-T735 WeakPolarHBondContact CA-O 3.37Å; C715-T735 PolarHBondContact SG-O 2.93Å; C715-I736 HydrophobicContact CB-CG1 4.04Å
716	K	98.4	Very high	87.5	Confident	81 Å²	81	71.2 Å²	71.2	35%	0.352	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.7	168	-78.1	169.7	163.6	-74.6	0	108.9	E702 V703 G734 T735	E702-K716 HydrophobicContact CG-CB 4.41Å; E702-K716 IonicContact OE1-NZ 3.72Å; E702-K716 PolarHBondContact OE1-NZ 2.96Å; E702-K716 IonicContact OE2-NZ 2.74Å; E702-K716 PolarHBondContact OE2-NZ 3.26Å; V703-K716 CarbonylContact O-C 3.51Å; V703-K716 WeakPolarHBondContact O-CA 3.31Å; K716-G734 CarbonylContact O-C 3.55Å; K716-G734 VanDerWaalsContact O-CA 3.24Å; K716-G734 WeakPolarHBondContact O-CA 3.44Å; K716-T735 PolarHBondContact N-O 2.85Å; K716-T735 PolarHBondContact O-N 2.89Å
717	I	98.6	Very high	85.9	Confident	3 Å²	3	70 Å²	70	2%	0.015	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	113.7	175.7	-43	177.4	0	0	0	109.3	A583 V587 E702 V703 I705 F719 V732 E733	A583-I717 HydrophobicContact CB-CD1 3.81Å; A583-I717 WeakPolarHBondContact O-CD1 3.32Å; V587-I717 HydrophobicContact CG2-CD1 3.88Å; V587-I717 HydrophobicContact CG2-CG2 4.06Å; E702-I717 CarbonylContact C-O 3.56Å; E702-I717 WeakPolarHBondContact CA-O 3.26Å; V703-I717 HydrophobicContact CB-CB 4.23Å; V703-I717 PolarHBondContact N-O 3.21Å; V703-I717 PolarHBondContact O-N 2.88Å; I705-I717 HydrophobicContact CD1-CD1 3.93Å; I717-F719 HydrophobicContact CG2-CE2 4.32Å; I717-V732 HydrophobicContact CG2-CB 4.32Å; I717-E733 CarbonylContact C-O 3.47Å; I717-E733 WeakPolarHBondContact CA-O 3.49Å
718	A	98.2	Very high	84.9	Confident	41 Å²	41	69.5 Å²	69.5	34%	0.339	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121	171.5	0	0	0	0	0	110	V732 E733	A718-V732 WeakPolarHBondContact O-CA 3.43Å; A718-E733 PolarHBondContact N-O 2.69Å; A718-E733 PolarHBondContact O-N 2.98Å
719	F	97.7	Very high	84.5	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.026	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	112.9	164.2	-76.4	-107.8	0	0	0	107.8	V587 Y590 V683 H699 G701 V703 I717 K721 V732 W751	V587-F719 HydrophobicContact CG2-CZ 4.34Å; Y590-F719 HydrophobicContact CD1-CE1 4.4Å; Y590-F719 AromaticContact CD2-CE1 3.93Å; Y590-F719 HydrophobicContact CD2-CE1 3.93Å; Y590-F719 AromaticContact CD2-CZ 3.55Å; Y590-F719 HydrophobicContact CD2-CZ 3.55Å; Y590-F719 HydrophobicContact CE2-CE1 4.4Å; Y590-F719 HydrophobicContact CE2-CE2 4.35Å; Y590-F719 AromaticContact CE2-CZ 3.73Å; Y590-F719 HydrophobicContact CE2-CZ 3.73Å; Y590-F719 AromaticContact CG-CE1 3.94Å; Y590-F719 HydrophobicContact CG-CE1 3.94Å; Y590-F719 HydrophobicContact CG-CZ 4.05Å; V683-F719 HydrophobicContact CB-CD2 4.47Å; V683-F719 HydrophobicContact CG1-CD2 3.93Å; V683-F719 HydrophobicContact CG1-CE2 4.45Å; V683-F719 HydrophobicContact CG2-CB 4.49Å; V683-F719 HydrophobicContact CG2-CD1 4.28Å; V683-F719 HydrophobicContact CG2-CD2 3.84Å; V683-F719 HydrophobicContact CG2-CE1 4.47Å; V683-F719 HydrophobicContact CG2-CE2 4.07Å; V683-F719 HydrophobicContact CG2-CG 3.95Å; V683-F719 HydrophobicContact CG2-CZ 4.37Å; H699-F719 HydrophobicContact CB-CD1 3.68Å; H699-F719 HydrophobicContact CB-CE1 4.26Å; H699-F719 HydrophobicContact CB-CG 4.4Å; G701-F719 PolarHBondContact N-O 3.43Å; G701-F719 PolarHBondContact O-N 3.25Å; V703-F719 HydrophobicContact CG2-CD2 4.28Å; V703-F719 HydrophobicContact CG2-CE2 3.8Å; I717-F719 HydrophobicContact CG2-CE2 4.32Å; F719-K721 PolarHBondContact O-N 3.03Å; F719-V732 HydrophobicContact CD1-CG1 3.59Å; F719-V732 HydrophobicContact CD2-CG1 4.26Å; F719-V732 HydrophobicContact CE1-CG1 3.75Å; F719-V732 HydrophobicContact CE2-CG1 4.37Å; F719-V732 HydrophobicContact CG-CG1 3.88Å; F719-V732 HydrophobicContact CZ-CG1 4.14Å; F719-W751 HydrophobicContact CD1-CB 4.43Å; F719-W751 AromaticContact CD1-CD1 3.88Å; F719-W751 HydrophobicContact CD1-CG 4.28Å; F719-W751 HydrophobicContact CE1-CB 3.83Å; F719-W751 HydrophobicContact CE1-CG 4.03Å
720	I	93.1	Very high	84.4	Confident	38 Å²	38	66 Å²	66	20%	0.195	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-79.1	117	-167.7	-56.2	-174.4	0	0	0	109.9	A722 S728 E731 E733	I720-A722 PolarHBondContact O-N 3Å; I720-S728 WeakPolarHBondContact CG2-OG 3.46Å; I720-E731 HydrophobicContact CB-CB 4.3Å; I720-E731 HydrophobicContact CD1-CB 4.07Å; I720-E731 HydrophobicContact CG1-CB 4.43Å; I720-E731 PolarHBondContact N-O 3.14Å; I720-E733 HydrophobicContact CD1-CB 4.31Å; I720-E733 HydrophobicContact CD1-CG 3.88Å
721	K	87.6	Confident	84.5	Confident	93 Å²	93	67 Å²	67	40%	0.404	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-68.4	124.3	171.3	-163.1	-179.6	-178	61.8	0	110	E698 Y700 F719	E698-K721 WeakPolarHBondContact OE1-CA 3.46Å; E698-K721 WeakPolarHBondContact OE1-CG 3.23Å; E698-K721 IonicContact OE2-NZ 3.26Å; E698-K721 PolarHBondContact OE2-NZ 3.17Å; Y700-K721 HydrophobicContact CD1-CD 4.41Å; Y700-K721 HydrophobicContact CD1-CG 4.29Å; Y700-K721 HydrophobicContact CG-CB 4.5Å; Y700-K721 HydrophobicContact CG-CD 4.36Å; Y700-K721 HydrophobicContact CG-CG 4.32Å; F719-K721 PolarHBondContact O-N 3.03Å
722	A	76.9	Confident	84.7	Confident	28 Å²	28	61 Å²	61	23%	0.231	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-65.1	149	179.8	0	0	0	0	0	111.3	E698 I720 V729	E698-A722 PolarHBondContact OE1-N 2.91Å; I720-A722 PolarHBondContact O-N 3Å; A722-V729 HydrophobicContact CB-CG2 4.26Å
723	R	75.4	Confident	84.9	Confident	150 Å²	150	64 Å²	64	57%	0.566	31%	0.309	S	S	*	.			trans	-123.4	153.6	176.1	-48.1	-173.8	-177.3	-175	2.1	109	W725 N726	R723-W725 HydrophobicContact CB-CD2 3.97Å; R723-W725 HydrophobicContact CB-CE3 3.75Å; R723-W725 HydrophobicContact CB-CH2 4.15Å; R723-W725 HydrophobicContact CB-CZ2 4.31Å; R723-W725 HydrophobicContact CB-CZ3 3.85Å; R723-W725 VanDerWaalsContact CD-CZ2 3.5Å; R723-W725 HydrophobicContact CG-CH2 4.43Å; R723-W725 PolarHBondContact O-N 2.88Å; R723-N726 WeakPolarHBondContact CA-OD1 3.43Å; R723-N726 WeakPolarHBondContact CB-OD1 3.24Å; R723-N726 PolarHBondContact N-OD1 3.32Å; R723-N726 PolarHBondContact O-N 2.7Å; R723-N726 PolarHBondContact O-OD1 3.35Å; R723-N726 VanDerWaalsContact O-OD1 3.11Å
724	Y	50.4	Low	85.1	Confident	204 Å²	204	63.9 Å²	63.9	80%	0.8	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-8.7	-174.4	69.9	-105.8	0	0	0	114.7
725	W	53.3	Low	85.2	Confident	163 Å²	163	61.4 Å²	61.4	62%	0.617	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	6.4	-174	70.6	89.4	0	0	0	114.5	R723	R723-W725 HydrophobicContact CB-CD2 3.97Å; R723-W725 HydrophobicContact CB-CE3 3.75Å; R723-W725 HydrophobicContact CB-CH2 4.15Å; R723-W725 HydrophobicContact CB-CZ2 4.31Å; R723-W725 HydrophobicContact CB-CZ3 3.85Å; R723-W725 VanDerWaalsContact CD-CZ2 3.5Å; R723-W725 HydrophobicContact CG-CH2 4.43Å; R723-W725 PolarHBondContact O-N 2.88Å
726	N	54.3	Low	85.2	Confident	63 Å²	63	61.4 Å²	61.4	34%	0.337	30%	0.3	S	S	.	.			trans	-134.7	156.9	179.3	76.4	-25.2	0	0	0	112.9	R723 S728	R723-N726 WeakPolarHBondContact CA-OD1 3.43Å; R723-N726 WeakPolarHBondContact CB-OD1 3.24Å; R723-N726 PolarHBondContact N-OD1 3.32Å; R723-N726 PolarHBondContact O-N 2.7Å; R723-N726 PolarHBondContact O-OD1 3.35Å; R723-N726 VanDerWaalsContact O-OD1 3.11Å; N726-S728 VanDerWaalsContact ND2-CB 3.31Å; N726-S728 WeakPolarHBondContact ND2-CB 3.21Å; N726-S728 PolarHBondContact ND2-OG 3.25Å; N726-S728 PolarHBondContact O-N 2.94Å; N726-S728 PolarHBondContact OD1-OG 3.21Å
727	S	64.9	Low	85.2	Confident	103 Å²	103	58.3 Å²	58.3	72%	0.72	29%	0.288	S	S	*	.			trans	-83.3	10.7	-178.6	55.6	0	0	0	0	114.1	V729	S727-V729 PolarHBondContact O-N 3.48Å
728	S	76.1	Confident	85.1	Confident	5 Å²	5	59.5 Å²	59.5	4%	0.035	29%	0.294	C	S	.	.			trans	-76.6	36.2	-167.8	77.2	0	0	0	0	114.6	I720 N726 N730 E731	I720-S728 WeakPolarHBondContact CG2-OG 3.46Å; N726-S728 VanDerWaalsContact ND2-CB 3.31Å; N726-S728 WeakPolarHBondContact ND2-CB 3.21Å; N726-S728 PolarHBondContact ND2-OG 3.25Å; N726-S728 PolarHBondContact O-N 2.94Å; N726-S728 PolarHBondContact OD1-OG 3.21Å; S728-N730 PolarHBondContact O-N 3.38Å; S728-E731 VanDerWaalsContact CA-CD 3.44Å; S728-E731 WeakPolarHBondContact CA-OE2 3.34Å; S728-E731 WeakPolarHBondContact CB-OE2 3.3Å
729	V	86.3	Confident	84.9	Confident	71 Å²	71	62 Å²	62	43%	0.43	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	120.6	-178.3	-179.5	0	0	0	0	108.5	A722 S727 E731	A722-V729 HydrophobicContact CB-CG2 4.26Å; S727-V729 PolarHBondContact O-N 3.48Å; V729-E731 PolarHBondContact O-N 3.16Å
730	N	93	Very high	84.7	Confident	11 Å²	11	70.3 Å²	70.3	6%	0.059	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	20.4	179.5	-56.1	-18.1	0	0	0	115.3	F594 S728 K750 W751 H752	F594-N730 VanDerWaalsContact CE2-ND2 3.32Å; F594-N730 WeakPolarHBondContact CE2-ND2 3.11Å; S728-N730 PolarHBondContact O-N 3.38Å; N730-K750 VanDerWaalsContact O-CA 3.24Å; N730-K750 WeakPolarHBondContact O-CA 3.38Å; N730-W751 VanDerWaalsContact CA-NE1 3.34Å; N730-W751 HydrophobicContact CB-CD2 4.47Å; N730-W751 HydrophobicContact CB-CZ2 4.06Å; N730-W751 VanDerWaalsContact CB-NE1 3.31Å; N730-W751 PolarHBondContact O-N 2.79Å; N730-W751 WeakPolarHBondContact OD1-CZ2 3.46Å; N730-H752 VanDerWaalsContact CB-CE1 3.47Å; N730-H752 WeakPolarHBondContact CB-CE1 3.49Å; N730-H752 VanDerWaalsContact CB-ND1 3.28Å; N730-H752 WeakPolarHBondContact CB-ND1 3.41Å; N730-H752 PolarHBondContact ND2-CE1 3.39Å; N730-H752 PolarHBondContact ND2-ND1 3.06Å
731	E	95.8	Very high	84.7	Confident	57 Å²	57	70.7 Å²	70.7	27%	0.266	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	147.7	177.5	-73.6	177.1	178.7	0	0	112.3	I720 S728 V729 G749 K750	I720-E731 HydrophobicContact CB-CB 4.3Å; I720-E731 HydrophobicContact CD1-CB 4.07Å; I720-E731 HydrophobicContact CG1-CB 4.43Å; I720-E731 PolarHBondContact N-O 3.14Å; S728-E731 VanDerWaalsContact CA-CD 3.44Å; S728-E731 WeakPolarHBondContact CA-OE2 3.34Å; S728-E731 WeakPolarHBondContact CB-OE2 3.3Å; V729-E731 PolarHBondContact O-N 3.16Å; E731-G749 WeakPolarHBondContact CA-O 3.3Å; E731-K750 HydrophobicContact CG-CG 4.13Å
732	V	97.6	Very high	85.1	Confident	6 Å²	6	72.9 Å²	72.9	4%	0.036	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138	171.3	-70.9	0	0	0	0	109.7	V587 I717 A718 F719 F748 G749 W751	V587-V732 HydrophobicContact CG1-CG1 4.5Å; V587-V732 HydrophobicContact CG1-CG2 4.2Å; I717-V732 HydrophobicContact CG2-CB 4.32Å; A718-V732 WeakPolarHBondContact O-CA 3.43Å; F719-V732 HydrophobicContact CD1-CG1 3.59Å; F719-V732 HydrophobicContact CD2-CG1 4.26Å; F719-V732 HydrophobicContact CE1-CG1 3.75Å; F719-V732 HydrophobicContact CE2-CG1 4.37Å; F719-V732 HydrophobicContact CG-CG1 3.88Å; F719-V732 HydrophobicContact CZ-CG1 4.14Å; V732-F748 VanDerWaalsContact O-CA 3.31Å; V732-F748 WeakPolarHBondContact O-CA 3.38Å; V732-G749 PolarHBondContact N-O 3.35Å; V732-G749 PolarHBondContact O-N 3.44Å; V732-G749 VanDerWaalsContact O-N 3.15Å; V732-W751 HydrophobicContact CG1-CB 3.98Å
733	E	97.4	Very high	86.1	Confident	120 Å²	120	74.3 Å²	74.3	56%	0.561	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.8	171.6	-85.9	177.7	-158.4	0	0	109	I717 A718 I720	I717-E733 CarbonylContact C-O 3.47Å; I717-E733 WeakPolarHBondContact CA-O 3.49Å; A718-E733 PolarHBondContact N-O 2.69Å; A718-E733 PolarHBondContact O-N 2.98Å; I720-E733 HydrophobicContact CD1-CB 4.31Å; I720-E733 HydrophobicContact CD1-CG 3.88Å
734	G	97.9	Very high	87.1	Confident	5 Å²	5	69.9 Å²	69.9	5%	0.052	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.7	177.1	0	0	0	0	0	112.5	K716 R746 L747	K716-G734 CarbonylContact O-C 3.55Å; K716-G734 VanDerWaalsContact O-CA 3.24Å; K716-G734 WeakPolarHBondContact O-CA 3.44Å; G734-R746 WeakPolarHBondContact O-CA 3.4Å; G734-L747 PolarHBondContact N-O 3.36Å; G734-L747 PolarHBondContact O-N 3.45Å
735	T	98.1	Very high	89.4	Confident	41 Å²	41	62.4 Å²	62.4	25%	0.252	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.8	169.9	50.3	0	0	0	0	109.8	C715 K716 V743	C715-T735 VanDerWaalsContact CA-O 3.28Å; C715-T735 WeakPolarHBondContact CA-O 3.37Å; C715-T735 PolarHBondContact SG-O 2.93Å; K716-T735 PolarHBondContact N-O 2.85Å; K716-T735 PolarHBondContact O-N 2.89Å; T735-V743 HydrophobicContact CG2-CG1 4.4Å
736	I	98.4	Very high	91.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.4	170.3	-58.4	175	0	0	0	106.7	F576 M579 I580 C713 Q714 C715 V744 H745	F576-I736 HydrophobicContact CD1-CG2 3.98Å; M579-I736 HydrophobicContact CB-CD1 4Å; M579-I736 HydrophobicContact CB-CG2 4.22Å; M579-I736 HydrophobicContact CG-CD1 3.85Å; M579-I736 HydrophobicContact CG-CG1 3.94Å; M579-I736 HydrophobicContact CG-CG2 3.91Å; I580-I736 HydrophobicContact CB-CD1 4.29Å; I580-I736 HydrophobicContact CG1-CD1 3.52Å; C713-I736 HydrophobicContact CB-CG2 4.23Å; Q714-I736 WeakPolarHBondContact O-CA 3.28Å; C715-I736 HydrophobicContact CB-CG1 4.04Å; I736-V744 PolarHBondContact O-N 2.86Å; I736-H745 HydrophobicContact CB-CB 4.22Å; I736-H745 HydrophobicContact CD1-CB 4.19Å; I736-H745 HydrophobicContact CG1-CB 4.47Å; I736-H745 PolarHBondContact N-O 3.25Å; I736-H745 PolarHBondContact O-N 2.83Å
737	T	97.8	Very high	93.6	Very high	16 Å²	16	57.9 Å²	57.9	10%	0.098	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.1	-176.8	55.3	0	0	0	0	111.8	C713 Q714 K742 V743	C713-T737 WeakPolarHBondContact CA-O 3.17Å; C713-T737 WeakPolarHBondContact CB-O 3.28Å; Q714-T737 WeakPolarHBondContact CG-OG1 3.4Å; Q714-T737 PolarHBondContact N-O 3.31Å; Q714-T737 PolarHBondContact NE2-OG1 2.93Å; Q714-T737 PolarHBondContact O-N 2.83Å; T737-K742 WeakPolarHBondContact CA-O 3.2Å; T737-V743 HydrophobicContact CG2-CG2 3.98Å
738	D	96.4	Very high	95.2	Very high	29 Å²	29	56 Å²	56	16%	0.155	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	177.4	171.8	74.8	1	0	0	0	112.6	F576 K740 G741 K742 V744	F576-D738 HydrophobicContact CE1-CB 4.03Å; F576-D738 HydrophobicContact CZ-CB 3.92Å; D738-K740 PolarHBondContact O-N 3.32Å; D738-K740 VanDerWaalsContact OD1-CA 3.3Å; D738-K740 WeakPolarHBondContact OD1-CA 3.2Å; D738-K740 WeakPolarHBondContact OD1-CB 3.49Å; D738-K740 PolarHBondContact OD1-N 3.41Å; D738-G741 PolarHBondContact O-N 3.15Å; D738-G741 PolarHBondContact OD1-N 2.94Å; D738-G741 VanDerWaalsContact OD1-N 3.13Å; D738-K742 PolarHBondContact N-O 2.94Å; D738-K742 WeakPolarHBondContact OD1-CB 3.26Å; D738-K742 PolarHBondContact OD1-N 2.6Å; D738-V744 HydrophobicContact CB-CG2 4.26Å
739	V	94.4	Very high	96.1	Very high	92 Å²	92	56.4 Å²	56.4	56%	0.558	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-13.9	173.2	-69.1	0	0	0	0	115.4	N711 V712	N711-V739 HydrophobicContact CB-CG1 4.33Å; N711-V739 WeakPolarHBondContact O-CG1 3.49Å; V712-V739 PolarHBondContact O-N 2.86Å
740	K	94.1	Very high	96.6	Very high	182 Å²	182	56.5 Å²	56.5	79%	0.791	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	2.2	178.4	-54.3	-179.4	-176.8	172.8	0	112.3	D738 K742	D738-K740 PolarHBondContact O-N 3.32Å; D738-K740 VanDerWaalsContact OD1-CA 3.3Å; D738-K740 WeakPolarHBondContact OD1-CA 3.2Å; D738-K740 WeakPolarHBondContact OD1-CB 3.49Å; D738-K740 PolarHBondContact OD1-N 3.41Å; K740-K742 VanDerWaalsContact C-N 3.26Å; K740-K742 PolarHBondContact O-N 2.84Å
741	G	93.1	Very high	96.8	Very high	45 Å²	45	56 Å²	56	46%	0.464	29%	0.286	S	S	.	.			trans	75.9	8.7	-174.5	0	0	0	0	0	114.2	D738 V743	D738-G741 PolarHBondContact O-N 3.15Å; D738-G741 PolarHBondContact OD1-N 2.94Å; D738-G741 VanDerWaalsContact OD1-N 3.13Å; G741-V743 PolarHBondContact O-N 3.3Å
742	K	96.3	Very high	96.8	Very high	140 Å²	140	55.1 Å²	55.1	61%	0.609	28%	0.281	S	S	*	.			trans	-71.7	126.4	175.6	-175.3	-159.1	168.9	-165.7	0	108.7	T737 D738 K740 V744	T737-K742 WeakPolarHBondContact CA-O 3.2Å; D738-K742 PolarHBondContact N-O 2.94Å; D738-K742 WeakPolarHBondContact OD1-CB 3.26Å; D738-K742 PolarHBondContact OD1-N 2.6Å; K740-K742 VanDerWaalsContact C-N 3.26Å; K740-K742 PolarHBondContact O-N 2.84Å; K742-V744 PolarHBondContact O-N 2.74Å
743	V	97.1	Very high	96.8	Very high	57 Å²	57	58.3 Å²	58.3	35%	0.345	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	126.4	171.2	-177.4	0	0	0	0	109.4	T735 T737 G741 H745 R746	T735-V743 HydrophobicContact CG2-CG1 4.4Å; T737-V743 HydrophobicContact CG2-CG2 3.98Å; G741-V743 PolarHBondContact O-N 3.3Å; V743-H745 WeakPolarHBondContact CG1-O 3.3Å; V743-R746 HydrophobicContact CG1-CG 4.07Å
744	V	97.1	Very high	96.8	Very high	57 Å²	57	52.6 Å²	52.6	35%	0.345	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-43.6	176.6	-175.5	0	0	0	0	110.3	F576 I736 D738 K742	F576-V744 HydrophobicContact CB-CG1 4.49Å; F576-V744 HydrophobicContact CD1-CB 3.91Å; F576-V744 HydrophobicContact CD1-CG1 3.92Å; F576-V744 HydrophobicContact CD1-CG2 3.92Å; F576-V744 HydrophobicContact CE1-CB 4.12Å; F576-V744 HydrophobicContact CE1-CG1 4.36Å; F576-V744 HydrophobicContact CE1-CG2 3.59Å; F576-V744 HydrophobicContact CG-CG1 4.17Å; F576-V744 HydrophobicContact CZ-CG2 4.24Å; I736-V744 PolarHBondContact O-N 2.86Å; D738-V744 HydrophobicContact CB-CG2 4.26Å; K742-V744 PolarHBondContact O-N 2.74Å
745	H	97.4	Very high	96.8	Very high	47 Å²	47	52.5 Å²	52.5	22%	0.218	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.5	173.4	-57	-74.8	0	0	0	111.8	I736 V743	I736-H745 HydrophobicContact CB-CB 4.22Å; I736-H745 HydrophobicContact CD1-CB 4.19Å; I736-H745 HydrophobicContact CG1-CB 4.47Å; I736-H745 PolarHBondContact N-O 3.25Å; I736-H745 PolarHBondContact O-N 2.83Å; V743-H745 WeakPolarHBondContact CG1-O 3.3Å
746	R	97.9	Very high	96.8	Very high	122 Å²	122	53 Å²	53	46%	0.46	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.2	167.2	-66.4	178.7	174.6	-77.7	-2.3	108.5	G734 V743 C757 G758 D759	G734-R746 WeakPolarHBondContact O-CA 3.4Å; V743-R746 HydrophobicContact CG1-CG 4.07Å; R746-C757 CarbonylContact O-C 3.37Å; R746-C757 WeakPolarHBondContact O-CA 3.29Å; R746-G758 PolarHBondContact O-N 3.49Å; R746-D759 WeakPolarHBondContact CD-OD1 3.4Å
747	L	98.4	Very high	96.8	Very high	9 Å²	9	53.6 Å²	53.6	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144	169.2	-54	176.7	0	0	0	108	I580 A583 G734 Y756 C757	I580-L747 HydrophobicContact CG1-CD2 4.41Å; I580-L747 HydrophobicContact CG2-CD2 3.98Å; A583-L747 HydrophobicContact CB-CD1 3.48Å; A583-L747 VanDerWaalsContact CB-CD1 3.48Å; G734-L747 PolarHBondContact N-O 3.36Å; G734-L747 PolarHBondContact O-N 3.45Å; L747-Y756 CarbonylContact C-O 3.52Å; L747-Y756 VanDerWaalsContact CA-O 3.26Å; L747-Y756 WeakPolarHBondContact CA-O 3.4Å; L747-C757 HydrophobicContact CD2-CB 3.61Å
748	F	97.8	Very high	96.6	Very high	64 Å²	64	54 Å²	54	28%	0.281	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	164.9	172.1	69.9	-85.1	0	0	0	110.8	V732 Y756 G758 P760 A763	V732-F748 VanDerWaalsContact O-CA 3.31Å; V732-F748 WeakPolarHBondContact O-CA 3.38Å; F748-Y756 HydrophobicContact CD2-CD2 4.37Å; F748-Y756 AromaticContact CE2-CD2 3.97Å; F748-Y756 HydrophobicContact CE2-CD2 3.97Å; F748-Y756 HydrophobicContact CE2-CG 4.18Å; F748-Y756 HydrophobicContact CZ-CD2 4.38Å; F748-Y756 HydrophobicContact CZ-CG 4.12Å; F748-Y756 PolarHBondContact N-O 3.48Å; F748-Y756 PolarHBondContact O-N 2.97Å; F748-G758 WeakPolarHBondContact CE1-O 3.25Å; F748-P760 HydrophobicContact CE1-CG 4.11Å; F748-P760 HydrophobicContact CE2-CG 4.32Å; F748-P760 HydrophobicContact CZ-CG 3.72Å; F748-A763 HydrophobicContact CE1-CB 3.5Å; F748-A763 HydrophobicContact CZ-CB 3.54Å
749	G	96.4	Very high	96.1	Very high	13 Å²	13	57.2 Å²	57.2	13%	0.134	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.9	-149.9	173.1	0	0	0	0	0	112.1	E731 V732 A754	E731-G749 WeakPolarHBondContact CA-O 3.3Å; V732-G749 PolarHBondContact N-O 3.35Å; V732-G749 PolarHBondContact O-N 3.44Å; V732-G749 VanDerWaalsContact O-N 3.15Å; G749-A754 WeakPolarHBondContact CA-O 3.35Å
750	K	96.9	Very high	95.5	Very high	73 Å²	73	57.2 Å²	57.2	32%	0.317	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.2	179	-71.1	171.3	-178.9	170.8	0	109.9	N730 E731 H752 E753 A754	N730-K750 VanDerWaalsContact O-CA 3.24Å; N730-K750 WeakPolarHBondContact O-CA 3.38Å; E731-K750 HydrophobicContact CG-CG 4.13Å; K750-H752 PolarHBondContact O-N 2.97Å; K750-E753 HydrophobicContact CB-CB 4.11Å; K750-E753 PolarHBondContact O-N 2.78Å; K750-A754 PolarHBondContact N-O 2.77Å; K750-A754 PolarHBondContact O-N 2.93Å
751	W	97.4	Very high	95	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.008	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.9	-170.8	60.5	-104.8	0	0	0	115	V587 Y590 A591 S593 F594 I697 H699 F719 N730 V732	V587-W751 HydrophobicContact CG1-CB 3.78Å; Y590-W751 VanDerWaalsContact O-CZ3 3.25Å; Y590-W751 WeakPolarHBondContact O-CZ3 3.48Å; A591-W751 WeakPolarHBondContact CA-O 3.37Å; A591-W751 WeakPolarHBondContact CB-O 3.49Å; S593-W751 VanDerWaalsContact OG-CZ3 3.24Å; S593-W751 WeakPolarHBondContact OG-CZ3 3.3Å; F594-W751 HydrophobicContact CB-CH2 3.81Å; F594-W751 HydrophobicContact CB-CZ3 3.75Å; F594-W751 AromaticContact CD2-CH2 3.89Å; F594-W751 HydrophobicContact CD2-CH2 3.89Å; F594-W751 HydrophobicContact CD2-CZ2 4.46Å; F594-W751 HydrophobicContact CG-CH2 4.34Å; I697-W751 HydrophobicContact CG2-CH2 3.94Å; I697-W751 HydrophobicContact CG2-CZ2 4.49Å; H699-W751 AromaticContact CD2-CD2 3.71Å; H699-W751 AromaticContact CD2-CE2 3.52Å; H699-W751 AromaticContact CD2-CE3 3.84Å; H699-W751 AromaticContact CD2-CH2 3.73Å; H699-W751 AromaticContact CD2-CZ2 3.56Å; H699-W751 AromaticContact CD2-CZ3 3.85Å; H699-W751 AromaticContact NE2-CE3 3.8Å; H699-W751 AromaticContact NE2-CH2 3.34Å; H699-W751 VanDerWaalsContact NE2-CH2 3.34Å; H699-W751 WeakPolarHBondContact NE2-CH2 3.29Å; H699-W751 AromaticContact NE2-CZ2 3.96Å; H699-W751 AromaticContact NE2-CZ3 3.23Å; H699-W751 WeakPolarHBondContact NE2-CZ3 3.41Å; F719-W751 HydrophobicContact CD1-CB 4.43Å; F719-W751 AromaticContact CD1-CD1 3.88Å; F719-W751 HydrophobicContact CD1-CG 4.28Å; F719-W751 HydrophobicContact CE1-CB 3.83Å; F719-W751 HydrophobicContact CE1-CG 4.03Å; N730-W751 VanDerWaalsContact CA-NE1 3.34Å; N730-W751 HydrophobicContact CB-CD2 4.47Å; N730-W751 HydrophobicContact CB-CZ2 4.06Å; N730-W751 VanDerWaalsContact CB-NE1 3.31Å; N730-W751 PolarHBondContact O-N 2.79Å; N730-W751 WeakPolarHBondContact OD1-CZ2 3.46Å; V732-W751 HydrophobicContact CG1-CB 3.98Å
752	H	95.8	Very high	94.9	Very high	38 Å²	38	57.7 Å²	57.7	18%	0.176	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-1.1	177.3	68.2	-71.1	0	0	0	113.6	F594 N730 K750	F594-H752 HydrophobicContact CB-CB 3.8Å; F594-H752 HydrophobicContact CD1-CB 4.37Å; F594-H752 HydrophobicContact CD2-CB 3.99Å; F594-H752 AromaticContact CD2-CD2 3.93Å; F594-H752 AromaticContact CD2-CG 3.9Å; F594-H752 AromaticContact CE1-CD2 3.91Å; F594-H752 AromaticContact CE2-CD2 3.82Å; F594-H752 HydrophobicContact CG-CB 3.8Å; F594-H752 AromaticContact CZ-CD2 3.8Å; N730-H752 VanDerWaalsContact CB-CE1 3.47Å; N730-H752 WeakPolarHBondContact CB-CE1 3.49Å; N730-H752 VanDerWaalsContact CB-ND1 3.28Å; N730-H752 WeakPolarHBondContact CB-ND1 3.41Å; N730-H752 PolarHBondContact ND2-CE1 3.39Å; N730-H752 PolarHBondContact ND2-ND1 3.06Å; K750-H752 PolarHBondContact O-N 2.97Å
753	E	96.1	Very high	94.8	Very high	72 Å²	72	52.1 Å²	52.1	34%	0.336	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-63.3	-171.9	-166.3	-143	125.4	0	0	112.4	K750 R768 A769	K750-E753 HydrophobicContact CB-CB 4.11Å; K750-E753 PolarHBondContact O-N 2.78Å; E753-R768 CarbonylContact O-C 3.58Å; E753-R768 WeakPolarHBondContact O-CA 3.41Å; E753-R768 WeakPolarHBondContact O-CG 3.43Å; E753-R768 IonicContact OE1-CZ 2.69Å; E753-R768 IonicContact OE1-NH1 3.74Å; E753-R768 PolarHBondContact OE1-NH1 2.92Å; E753-A769 PolarHBondContact O-N 2.73Å
754	A	97.2	Very high	94.7	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	157.3	-174.4	0	0	0	0	0	112.7	G749 K750 Y756 W767 R768	G749-A754 WeakPolarHBondContact CA-O 3.35Å; K750-A754 PolarHBondContact N-O 2.77Å; K750-A754 PolarHBondContact O-N 2.93Å; A754-Y756 HydrophobicContact CB-CE2 3.7Å; A754-W767 CarbonylContact C-O 3.55Å; A754-W767 VanDerWaalsContact CA-O 3.27Å; A754-W767 WeakPolarHBondContact CA-O 3.35Å; A754-W767 WeakPolarHBondContact CB-O 3.32Å; A754-R768 HydrophobicContact CB-CB 4.33Å; A754-R768 HydrophobicContact CB-CG 4.41Å
755	V	98.4	Very high	94.7	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.9	173.6	173.8	0	0	0	0	109.4	T584 V587 I766 W767	T584-V755 HydrophobicContact CG2-CB 4.06Å; T584-V755 HydrophobicContact CG2-CG1 4.16Å; V587-V755 HydrophobicContact CB-CG2 4.07Å; V587-V755 HydrophobicContact CG1-CG2 3.63Å; V755-I766 PolarHBondContact O-N 3.39Å; V755-W767 HydrophobicContact CB-CE3 4.23Å; V755-W767 HydrophobicContact CG2-CE3 3.87Å; V755-W767 HydrophobicContact CG2-CZ3 4.22Å; V755-W767 PolarHBondContact N-O 2.94Å; V755-W767 PolarHBondContact O-N 3.49Å
756	Y	98.3	Very high	94.8	Very high	53 Å²	53	52.7 Å²	52.7	21%	0.208	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	154.2	-178.3	-51.5	-97.3	0	0	0	110.1	L747 F748 A754 T764 C765 R768	L747-Y756 CarbonylContact C-O 3.52Å; L747-Y756 VanDerWaalsContact CA-O 3.26Å; L747-Y756 WeakPolarHBondContact CA-O 3.4Å; F748-Y756 HydrophobicContact CD2-CD2 4.37Å; F748-Y756 AromaticContact CE2-CD2 3.97Å; F748-Y756 HydrophobicContact CE2-CD2 3.97Å; F748-Y756 HydrophobicContact CE2-CG 4.18Å; F748-Y756 HydrophobicContact CZ-CD2 4.38Å; F748-Y756 HydrophobicContact CZ-CG 4.12Å; F748-Y756 PolarHBondContact N-O 3.48Å; F748-Y756 PolarHBondContact O-N 2.97Å; A754-Y756 HydrophobicContact CB-CE2 3.7Å; Y756-T764 CarbonylContact C-O 3.6Å; Y756-T764 VanDerWaalsContact CA-O 3.23Å; Y756-T764 WeakPolarHBondContact CA-O 3.46Å; Y756-C765 HydrophobicContact CD1-CB 3.7Å; Y756-C765 HydrophobicContact CE1-CB 3.75Å; Y756-R768 PolarHBondContact OH-NH2 2.79Å
757	C	97.8	Very high	94.8	Very high	12 Å²	12	47.6 Å²	47.6	8%	0.081	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.2	176.7	-177.5	0	0	0	0	111.6	I580 R746 L747 A763 T764 I766	I580-C757 VanDerWaalsContact CD1-SG 3.58Å; I580-C757 HydrophobicContact CG2-CB 4.33Å; R746-C757 CarbonylContact O-C 3.37Å; R746-C757 WeakPolarHBondContact O-CA 3.29Å; L747-C757 HydrophobicContact CD2-CB 3.61Å; C757-A763 CarbonylContact O-C 3.59Å; C757-A763 VanDerWaalsContact O-CA 3.29Å; C757-A763 WeakPolarHBondContact O-CA 3.41Å; C757-T764 PolarHBondContact N-O 2.95Å; C757-T764 PolarHBondContact O-N 2.89Å; C757-I766 HydrophobicContact CB-CD1 3.84Å; C757-I766 HydrophobicContact CB-CG1 3.73Å
758	G	93.4	Very high	94.8	Very high	23 Å²	23	53.1 Å²	53.1	24%	0.237	30%	0.3	C	S	.	.	S	Bend	trans	91	-165.8	-174.9	0	0	0	0	0	112.3	R746 F748	R746-G758 PolarHBondContact O-N 3.49Å; F748-G758 WeakPolarHBondContact CE1-O 3.25Å
759	D	85.8	Confident	94.7	Very high	98 Å²	98	51.5 Å²	51.5	52%	0.524	30%	0.298	S	S	.	.	S	Bend	trans	-108.2	138.7	-176.7	-61.4	-75.5	0	0	0	111.4	R746 S762 A763	R746-D759 WeakPolarHBondContact CD-OD1 3.4Å; D759-S762 CarbonylContact O-C 3.45Å; D759-S762 PolarHBondContact O-N 3.34Å; D759-S762 VanDerWaalsContact O-N 3.14Å; D759-S762 PolarHBondContact O-OG 3.11Å; D759-A763 PolarHBondContact O-N 3.27Å
760	P	82.5	Confident	94.4	Very high	92 Å²	92	54.2 Å²	54.2	60%	0.597	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	147.2	173.9	-23.5	33.5	0	0	0	113	F748	F748-P760 HydrophobicContact CE1-CG 4.11Å; F748-P760 HydrophobicContact CE2-CG 4.32Å; F748-P760 HydrophobicContact CZ-CG 3.72Å
761	P	84.3	Confident	94.2	Very high	138 Å²	138	56.5 Å²	56.5	90%	0.896	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.2	-6.5	1	34.4	-36.5	0	0	0	114.1	A763	P761-A763 PolarHBondContact O-N 2.84Å
762	S	90.8	Very high	94.1	Very high	98 Å²	98	58.3 Å²	58.3	69%	0.685	35%	0.346	S	S	*	.	S	Bend	trans	-77.8	8.4	-175.7	39.3	0	0	0	0	115.6	D759	D759-S762 CarbonylContact O-C 3.45Å; D759-S762 PolarHBondContact O-N 3.34Å; D759-S762 VanDerWaalsContact O-N 3.14Å; D759-S762 PolarHBondContact O-OG 3.11Å
763	A	93.5	Very high	94	Very high	24 Å²	24	57.6 Å²	57.6	20%	0.198	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-71.6	129.3	-174.1	0	0	0	0	0	112.8	F748 C757 D759 P761	F748-A763 HydrophobicContact CE1-CB 3.5Å; F748-A763 HydrophobicContact CZ-CB 3.54Å; C757-A763 CarbonylContact O-C 3.59Å; C757-A763 VanDerWaalsContact O-CA 3.29Å; C757-A763 WeakPolarHBondContact O-CA 3.41Å; D759-A763 PolarHBondContact O-N 3.27Å; P761-A763 PolarHBondContact O-N 2.84Å
764	T	95.9	Very high	93.7	Very high	91 Å²	91	62 Å²	62	56%	0.558	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.2	-179.7	-59.5	0	0	0	0	110.6	Y756 C757 I766	Y756-T764 CarbonylContact C-O 3.6Å; Y756-T764 VanDerWaalsContact CA-O 3.23Å; Y756-T764 WeakPolarHBondContact CA-O 3.46Å; C757-T764 PolarHBondContact N-O 2.95Å; C757-T764 PolarHBondContact O-N 2.89Å; T764-I766 HydrophobicContact CG2-CD1 4.18Å; T764-I766 PolarHBondContact O-N 2.68Å
765	C	97.5	Very high	93.3	Very high	58 Å²	58	66 Å²	66	39%	0.392	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.3	172.4	-169.4	0	0	0	0	109.9	Y756	Y756-C765 HydrophobicContact CD1-CB 3.7Å; Y756-C765 HydrophobicContact CE1-CB 3.75Å
766	I	98.3	Very high	93	Very high	24 Å²	24	68.8 Å²	68.8	12%	0.123	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-38.2	-178.6	-52.7	-58.1	0	0	0	110.8	I580 Y581 T584 V755 C757 T764	I580-I766 HydrophobicContact CG2-CB 4.47Å; I580-I766 HydrophobicContact CG2-CD1 3.93Å; I580-I766 HydrophobicContact CG2-CG1 3.75Å; I580-I766 HydrophobicContact CG2-CG2 3.98Å; Y581-I766 HydrophobicContact CD1-CG2 4.05Å; Y581-I766 HydrophobicContact CE1-CG2 4.04Å; T584-I766 HydrophobicContact CG2-CB 4.26Å; T584-I766 HydrophobicContact CG2-CG2 3.92Å; V755-I766 PolarHBondContact O-N 3.39Å; C757-I766 HydrophobicContact CB-CD1 3.84Å; C757-I766 HydrophobicContact CB-CG1 3.73Å; T764-I766 HydrophobicContact CG2-CD1 4.18Å; T764-I766 PolarHBondContact O-N 2.68Å
767	W	98.4	Very high	92.7	Very high	14 Å²	14	72.9 Å²	72.9	5%	0.053	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149.3	-179.2	167.5	85	0	0	0	110.9	N562 L565 T584 A591 A754 V755 A769	N562-W767 PolarHBondContact OD1-NE1 3.26Å; L565-W767 HydrophobicContact CD1-CB 4.46Å; L565-W767 HydrophobicContact CD1-CG 4.32Å; L565-W767 HydrophobicContact CD2-CB 4.47Å; T584-W767 HydrophobicContact CG2-CB 3.26Å; T584-W767 HydrophobicContact CG2-CG 4.05Å; A591-W767 HydrophobicContact CB-CH2 3.75Å; A591-W767 HydrophobicContact CB-CZ2 3.9Å; A754-W767 CarbonylContact C-O 3.55Å; A754-W767 VanDerWaalsContact CA-O 3.27Å; A754-W767 WeakPolarHBondContact CA-O 3.35Å; A754-W767 WeakPolarHBondContact CB-O 3.32Å; V755-W767 HydrophobicContact CB-CE3 4.23Å; V755-W767 HydrophobicContact CG2-CE3 3.87Å; V755-W767 HydrophobicContact CG2-CZ3 4.22Å; V755-W767 PolarHBondContact N-O 2.94Å; V755-W767 PolarHBondContact O-N 3.49Å; W767-A769 HydrophobicContact CH2-CB 3.86Å; W767-A769 HydrophobicContact CZ2-CB 3.81Å
768	R	97.7	Very high	92.4	Very high	126 Å²	126	76.5 Å²	76.5	48%	0.475	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140	170.1	-179.6	170.9	-61.7	-72.5	-5.3	108	E753 A754 Y756 S770	E753-R768 CarbonylContact O-C 3.58Å; E753-R768 WeakPolarHBondContact O-CA 3.41Å; E753-R768 WeakPolarHBondContact O-CG 3.43Å; E753-R768 IonicContact OE1-CZ 2.69Å; E753-R768 IonicContact OE1-NH1 3.74Å; E753-R768 PolarHBondContact OE1-NH1 2.92Å; A754-R768 HydrophobicContact CB-CB 4.33Å; A754-R768 HydrophobicContact CB-CG 4.41Å; Y756-R768 PolarHBondContact OH-NH2 2.79Å; R768-S770 PolarHBondContact O-N 2.8Å
769	A	95.2	Very high	92.4	Very high	29 Å²	29	76.9 Å²	76.9	24%	0.24	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-59.4	136.3	177	0	0	0	0	0	111.2	E753 W767	E753-A769 PolarHBondContact O-N 2.73Å; W767-A769 HydrophobicContact CH2-CB 3.86Å; W767-A769 HydrophobicContact CZ2-CB 3.81Å
770	S	91.7	Very high	92.8	Very high	70 Å²	70	73.6 Å²	73.6	49%	0.49	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-56.6	141.3	173.2	-67.3	0	0	0	0	111.2	R768 M772	R768-S770 PolarHBondContact O-N 2.8Å; S770-M772 PolarHBondContact O-N 2.99Å
771	P	91.9	Very high	93.4	Very high	122 Å²	122	69.3 Å²	69.3	79%	0.792	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-62.1	136	177	26.6	-34.2	0	0	0	110.6
772	M	95	Very high	94	Very high	39 Å²	39	62.8 Å²	62.8	19%	0.192	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64.7	143	178.4	-66	-59.5	-70.4	0	0	111	Y595 S770 Y776 G781 F782 T783	Y595-M772 HydrophobicContact CD2-CE 3.69Å; Y595-M772 HydrophobicContact CD2-CG 3.84Å; Y595-M772 HydrophobicContact CD2-SD 3.56Å; Y595-M772 VanDerWaalsContact CD2-SD 3.56Å; Y595-M772 HydrophobicContact CE1-CG 4.41Å; Y595-M772 HydrophobicContact CE2-CE 4.33Å; Y595-M772 HydrophobicContact CE2-CG 3.48Å; Y595-M772 VanDerWaalsContact CE2-CG 3.48Å; Y595-M772 HydrophobicContact CE2-SD 3.66Å; Y595-M772 HydrophobicContact CG-CE 3.98Å; Y595-M772 HydrophobicContact CG-CG 4.44Å; Y595-M772 HydrophobicContact CG-SD 4.38Å; S770-M772 PolarHBondContact O-N 2.99Å; M772-Y776 HydrophobicContact CB-CD1 3.56Å; M772-Y776 HydrophobicContact CB-CE1 4.17Å; M772-Y776 HydrophobicContact CB-CG 3.8Å; M772-Y776 HydrophobicContact CE-CD2 4.01Å; M772-Y776 HydrophobicContact CE-CG 3.99Å; M772-Y776 HydrophobicContact CG-CD1 4.39Å; M772-Y776 HydrophobicContact CG-CG 4.36Å; M772-G781 VanDerWaalsContact CE-O 3.3Å; M772-G781 WeakPolarHBondContact CE-O 3.42Å; M772-F782 VanDerWaalsContact CE-O 3.24Å; M772-F782 WeakPolarHBondContact CE-O 3.47Å; M772-T783 HydrophobicContact CE-CG2 4.43Å; M772-T783 HydrophobicContact SD-CG2 4.07Å
773	P	93.7	Very high	94.3	Very high	23 Å²	23	58.8 Å²	58.8	15%	0.149	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-55.9	150.1	174.7	-25.2	34.4	0	0	0	112.7	N775 Y776 K784 I787	P773-N775 PolarHBondContact O-N 2.81Å; P773-Y776 WeakPolarHBondContact O-CB 3.19Å; P773-Y776 WeakPolarHBondContact O-CD1 3.48Å; P773-Y776 PolarHBondContact O-N 3.34Å; P773-K784 HydrophobicContact CG-CB 4.18Å; P773-I787 HydrophobicContact CB-CD1 4.19Å; P773-I787 HydrophobicContact CG-CD1 3.94Å
774	M	89.5	Confident	94.4	Very high	166 Å²	166	63.3 Å²	63.3	82%	0.818	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	134.6	169	-68.3	-59.4	-65.3	0	0	109.7	Y776	M774-Y776 VanDerWaalsContact C-N 3.33Å; M774-Y776 PolarHBondContact O-N 2.91Å
775	N	90	Very high	94.5	Very high	85 Å²	85	59.1 Å²	59.1	46%	0.455	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	25.4	-175.2	-50	-36.2	0	0	0	115.5	P773 E777 Q778 Y779	P773-N775 PolarHBondContact O-N 2.81Å; N775-E777 PolarHBondContact O-N 3.08Å; N775-Q778 HydrophobicContact CB-CB 4.26Å; N775-Q778 HydrophobicContact CB-CG 4.13Å; N775-Q778 WeakPolarHBondContact O-CA 3.39Å; N775-Q778 WeakPolarHBondContact O-CB 3.42Å; N775-Q778 PolarHBondContact O-N 3.03Å; N775-Y779 HydrophobicContact CB-CE2 4.32Å; N775-Y779 PolarHBondContact O-N 3.4Å
776	Y	92.5	Very high	94.5	Very high	60 Å²	60	56.4 Å²	56.4	24%	0.235	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-48.6	-34.7	176.5	67.8	-89.4	0	0	0	114.1	Y595 M772 P773 M774 Q778 Y779 G781	Y595-Y776 HydrophobicContact CD1-CD2 4.16Å; Y595-Y776 AromaticContact CD1-CE2 3.57Å; Y595-Y776 HydrophobicContact CD1-CE2 3.57Å; Y595-Y776 HydrophobicContact CE1-CE2 4.04Å; Y595-Y776 HydrophobicContact CG-CD2 4.39Å; Y595-Y776 HydrophobicContact CG-CE2 4.24Å; M772-Y776 HydrophobicContact CB-CD1 3.56Å; M772-Y776 HydrophobicContact CB-CE1 4.17Å; M772-Y776 HydrophobicContact CB-CG 3.8Å; M772-Y776 HydrophobicContact CE-CD2 4.01Å; M772-Y776 HydrophobicContact CE-CG 3.99Å; M772-Y776 HydrophobicContact CG-CD1 4.39Å; M772-Y776 HydrophobicContact CG-CG 4.36Å; P773-Y776 WeakPolarHBondContact O-CB 3.19Å; P773-Y776 WeakPolarHBondContact O-CD1 3.48Å; P773-Y776 PolarHBondContact O-N 3.34Å; M774-Y776 VanDerWaalsContact C-N 3.33Å; M774-Y776 PolarHBondContact O-N 2.91Å; Y776-Q778 VanDerWaalsContact C-N 3.28Å; Y776-Q778 PolarHBondContact O-N 3.23Å; Y776-Y779 CarbonylContact O-C 3.6Å; Y776-Y779 VanDerWaalsContact O-C 3.25Å; Y776-Y779 PolarHBondContact O-N 2.92Å; Y776-G781 WeakPolarHBondContact O-CA 3.3Å; Y776-G781 PolarHBondContact O-N 3.43Å
777	E	91.2	Very high	94.4	Very high	138 Å²	138	55.2 Å²	55.2	65%	0.645	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-64.4	-30	177.1	-57.9	-170.3	163.3	0	0	113.3	N775 Y779	N775-E777 PolarHBondContact O-N 3.08Å; E777-Y779 VanDerWaalsContact C-N 3.28Å
778	Q	92	Very high	94.4	Very high	89 Å²	89	55 Å²	55	42%	0.416	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-77.3	-17.1	173.6	-58.6	179.1	12.8	0	0	111.9	P516 S517 N775 Y776	P516-Q778 CarbonylContact C-O 3.6Å; P516-Q778 VanDerWaalsContact CA-O 3.3Å; P516-Q778 WeakPolarHBondContact CA-O 3.37Å; P516-Q778 HydrophobicContact CB-CB 4.3Å; S517-Q778 PolarHBondContact N-O 2.87Å; S517-Q778 PolarHBondContact OG-O 3.17Å; N775-Q778 HydrophobicContact CB-CB 4.26Å; N775-Q778 HydrophobicContact CB-CG 4.13Å; N775-Q778 WeakPolarHBondContact O-CA 3.39Å; N775-Q778 WeakPolarHBondContact O-CB 3.42Å; N775-Q778 PolarHBondContact O-N 3.03Å; Y776-Q778 VanDerWaalsContact C-N 3.28Å; Y776-Q778 PolarHBondContact O-N 3.23Å
779	Y	94	Very high	94.4	Very high	31 Å²	31	49.1 Å²	49.1	12%	0.122	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	53.8	-178.4	-58.6	-54.5	0	0	0	110.8	C512 L513 N775 Y776 E777 G781 F782	C512-Y779 HydrophobicContact CB-CE2 3.79Å; L513-Y779 HydrophobicContact CB-CD1 3.66Å; L513-Y779 HydrophobicContact CB-CE1 4Å; L513-Y779 HydrophobicContact CB-CG 4.42Å; L513-Y779 HydrophobicContact CD1-CD1 4.05Å; L513-Y779 HydrophobicContact CD1-CG 4.4Å; L513-Y779 HydrophobicContact CG-CD1 3.89Å; L513-Y779 HydrophobicContact CG-CG 4.21Å; N775-Y779 HydrophobicContact CB-CE2 4.32Å; N775-Y779 PolarHBondContact O-N 3.4Å; Y776-Y779 CarbonylContact O-C 3.6Å; Y776-Y779 VanDerWaalsContact O-C 3.25Å; Y776-Y779 PolarHBondContact O-N 2.92Å; E777-Y779 VanDerWaalsContact C-N 3.28Å; Y779-G781 PolarHBondContact O-N 3.47Å; Y779-F782 WeakPolarHBondContact O-CB 3.35Å; Y779-F782 VanDerWaalsContact O-CG 3.31Å; Y779-F782 WeakPolarHBondContact O-CG 3.43Å; Y779-F782 PolarHBondContact O-N 3.43Å
780	Y	93.6	Very high	94.5	Very high	28 Å²	28	47.7 Å²	47.7	11%	0.11	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	13.4	172.6	-56.7	-94.3	0	0	0	115.7	L513 P518 E548 P549 F782 L814	L513-Y780 HydrophobicContact CD1-CD2 3.78Å; L513-Y780 HydrophobicContact CD1-CE2 4.03Å; P518-Y780 WeakPolarHBondContact CD-OH 3.32Å; E548-Y780 HydrophobicContact CB-CD1 3.82Å; E548-Y780 HydrophobicContact CB-CE1 4.43Å; E548-Y780 HydrophobicContact CB-CG 4.16Å; P549-Y780 VanDerWaalsContact CD-CZ 3.47Å; P549-Y780 HydrophobicContact CG-CD2 3.94Å; P549-Y780 HydrophobicContact CG-CE2 3.66Å; Y780-F782 VanDerWaalsContact CB-CE1 3.44Å; Y780-F782 HydrophobicContact CD2-CZ 4.49Å; Y780-F782 HydrophobicContact CG-CE1 4.3Å; Y780-F782 HydrophobicContact CG-CZ 4.46Å; Y780-L814 PolarHBondContact OH-O 2.92Å
781	G	94.5	Very high	94.7	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.031	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	20.9	-174	0	0	0	0	0	114.4	R596 M772 Y776 Y779	R596-G781 WeakPolarHBondContact CD-O 3.35Å; R596-G781 WeakPolarHBondContact CG-O 3.12Å; M772-G781 VanDerWaalsContact CE-O 3.3Å; M772-G781 WeakPolarHBondContact CE-O 3.42Å; Y776-G781 WeakPolarHBondContact O-CA 3.3Å; Y776-G781 PolarHBondContact O-N 3.43Å; Y779-G781 PolarHBondContact O-N 3.47Å
782	F	97.2	Very high	94.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.			trans	-71.2	141.9	-175.1	-72.3	8.2	0	0	0	113.2	L513 E548 P549 L550 R596 M772 Y779 Y780 A786 I787	L513-F782 HydrophobicContact CD1-CD2 4.14Å; L513-F782 HydrophobicContact CD1-CE2 4.06Å; L513-F782 HydrophobicContact CD2-CD2 4.38Å; L513-F782 HydrophobicContact CD2-CE2 4.46Å; E548-F782 HydrophobicContact CB-CE1 4.02Å; E548-F782 HydrophobicContact CB-CZ 4.11Å; P549-F782 HydrophobicContact CG-CE2 4.05Å; P549-F782 HydrophobicContact CG-CZ 3.97Å; L550-F782 HydrophobicContact CB-CZ 4.39Å; L550-F782 HydrophobicContact CD1-CD2 4.19Å; L550-F782 HydrophobicContact CD1-CE1 4.09Å; L550-F782 HydrophobicContact CD1-CE2 3.61Å; L550-F782 HydrophobicContact CD1-CZ 3.55Å; L550-F782 HydrophobicContact CG-CE2 3.8Å; L550-F782 HydrophobicContact CG-CZ 3.69Å; R596-F782 VanDerWaalsContact NH2-CE1 3.29Å; M772-F782 VanDerWaalsContact CE-O 3.24Å; M772-F782 WeakPolarHBondContact CE-O 3.47Å; Y779-F782 WeakPolarHBondContact O-CB 3.35Å; Y779-F782 VanDerWaalsContact O-CG 3.31Å; Y779-F782 WeakPolarHBondContact O-CG 3.43Å; Y779-F782 PolarHBondContact O-N 3.43Å; Y780-F782 VanDerWaalsContact CB-CE1 3.44Å; Y780-F782 HydrophobicContact CD2-CZ 4.49Å; Y780-F782 HydrophobicContact CG-CE1 4.3Å; Y780-F782 HydrophobicContact CG-CZ 4.46Å; F782-A786 HydrophobicContact CB-CB 3.89Å; F782-A786 HydrophobicContact CD2-CB 4.29Å; F782-A786 HydrophobicContact CG-CB 4.03Å; F782-I787 HydrophobicContact CB-CG1 3.76Å; F782-I787 HydrophobicContact CD2-CG1 4.22Å
783	T	96.8	Very high	94.6	Very high	15 Å²	15	44 Å²	44	9%	0.092	21%	0.209	C	C	.	.			trans	-70.3	168.5	163.5	70.1	0	0	0	0	110	D561 M772 F785 A786 I787	D561-T783 PolarHBondContact OD2-OG1 3.12Å; M772-T783 HydrophobicContact CE-CG2 4.43Å; M772-T783 HydrophobicContact SD-CG2 4.07Å; T783-F785 VanDerWaalsContact C-N 3.27Å; T783-F785 PolarHBondContact O-N 2.94Å; T783-F785 PolarHBondContact OG1-N 3.25Å; T783-A786 PolarHBondContact O-N 2.91Å; T783-A786 PolarHBondContact OG1-N 2.69Å; T783-A786 VanDerWaalsContact OG1-N 3.16Å; T783-I787 WeakPolarHBondContact O-CG1 2.96Å; T783-I787 PolarHBondContact O-N 3.26Å
784	K	95.9	Very high	94.4	Very high	118 Å²	118	48 Å²	48	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-55.4	-45.9	173.2	-172.1	-177.8	-175.2	-94.9	0	111	P773 A786 I787 E788	P773-K784 HydrophobicContact CG-CB 4.18Å; K784-A786 PolarHBondContact O-N 2.7Å; K784-I787 WeakPolarHBondContact O-CB 3.26Å; K784-I787 PolarHBondContact O-N 2.82Å; K784-E788 WeakPolarHBondContact CE-OE1 3.33Å; K784-E788 IonicContact NZ-OE1 2.63Å; K784-E788 PolarHBondContact NZ-OE1 3.09Å; K784-E788 WeakPolarHBondContact O-CG 3.49Å; K784-E788 PolarHBondContact O-N 3.17Å; K784-E788 VanDerWaalsContact O-N 3.1Å
785	F	97.2	Very high	94.3	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-44.6	178.1	-171.9	-89.9	0	0	0	112.1	C557 D561 K617 F619 T783 I787 E788 L789	C557-F785 VanDerWaalsContact O-CE1 3.32Å; C557-F785 WeakPolarHBondContact O-CE1 3.39Å; D561-F785 HydrophobicContact CB-CB 4.13Å; D561-F785 HydrophobicContact CB-CD1 3.97Å; D561-F785 HydrophobicContact CB-CD2 4.32Å; D561-F785 HydrophobicContact CB-CE1 4.45Å; D561-F785 HydrophobicContact CB-CG 3.9Å; D561-F785 WeakPolarHBondContact OD1-CB 3.48Å; D561-F785 WeakPolarHBondContact OD2-CB 3.16Å; K617-F785 HydrophobicContact CD-CE2 4.17Å; F619-F785 HydrophobicContact CZ-CE2 4.35Å; F619-F785 HydrophobicContact CZ-CZ 4.16Å; T783-F785 VanDerWaalsContact C-N 3.27Å; T783-F785 PolarHBondContact O-N 2.94Å; T783-F785 PolarHBondContact OG1-N 3.25Å; F785-I787 VanDerWaalsContact C-N 3.32Å; F785-I787 PolarHBondContact O-N 3.47Å; F785-E788 WeakPolarHBondContact O-CB 3.29Å; F785-E788 PolarHBondContact O-N 3.04Å; F785-L789 HydrophobicContact CD1-CD1 4.45Å; F785-L789 HydrophobicContact CD1-CD2 4.13Å; F785-L789 HydrophobicContact CD1-CG 4.31Å; F785-L789 HydrophobicContact CE1-CD1 4.42Å; F785-L789 HydrophobicContact CE1-CD2 3.67Å; F785-L789 HydrophobicContact CE1-CG 4.3Å; F785-L789 HydrophobicContact CZ-CD2 4.23Å; F785-L789 WeakPolarHBondContact O-CG 3.16Å; F785-L789 PolarHBondContact O-N 2.95Å
786	A	97.7	Very high	94.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.6	-33.7	176.1	0	0	0	0	0	113.1	L550 F782 T783 K784 E788 L789	L550-A786 HydrophobicContact CD1-CB 4.11Å; F782-A786 HydrophobicContact CB-CB 3.89Å; F782-A786 HydrophobicContact CD2-CB 4.29Å; F782-A786 HydrophobicContact CG-CB 4.03Å; T783-A786 PolarHBondContact O-N 2.91Å; T783-A786 PolarHBondContact OG1-N 2.69Å; T783-A786 VanDerWaalsContact OG1-N 3.16Å; K784-A786 PolarHBondContact O-N 2.7Å; A786-E788 VanDerWaalsContact C-N 3.31Å; A786-L789 PolarHBondContact O-N 3.31Å
787	I	97.4	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-38.3	169.9	-70.1	173.8	0	0	0	110.9	R510 L513 P773 F782 T783 K784 F785 L789	R510-I787 HydrophobicContact CG-CG2 4.09Å; R510-I787 PolarHBondContact NE-O 3.41Å; R510-I787 PolarHBondContact NH2-O 3.24Å; L513-I787 HydrophobicContact CD2-CG1 4.43Å; L513-I787 HydrophobicContact CD2-CG2 4.25Å; P773-I787 HydrophobicContact CB-CD1 4.19Å; P773-I787 HydrophobicContact CG-CD1 3.94Å; F782-I787 HydrophobicContact CB-CG1 3.76Å; F782-I787 HydrophobicContact CD2-CG1 4.22Å; T783-I787 WeakPolarHBondContact O-CG1 2.96Å; T783-I787 PolarHBondContact O-N 3.26Å; K784-I787 WeakPolarHBondContact O-CB 3.26Å; K784-I787 PolarHBondContact O-N 2.82Å; F785-I787 VanDerWaalsContact C-N 3.32Å; F785-I787 PolarHBondContact O-N 3.47Å; I787-L789 PolarHBondContact O-N 3.25Å
788	E	97.1	Very high	94.1	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-71.6	-23.9	-178.6	-63.7	166.1	168.6	0	0	113.5	R509 R614 K784 F785 A786 N790 E791	R509-E788 HydrophobicContact CB-CB 4.44Å; R509-E788 HydrophobicContact CB-CG 3.81Å; R614-E788 IonicContact CZ-OE2 3.15Å; R614-E788 IonicContact NH1-OE2 2.71Å; R614-E788 PolarHBondContact NH1-OE2 3.05Å; R614-E788 IonicContact NH2-OE2 3.77Å; R614-E788 PolarHBondContact NH2-OE2 3.06Å; K784-E788 WeakPolarHBondContact CE-OE1 3.33Å; K784-E788 IonicContact NZ-OE1 2.63Å; K784-E788 PolarHBondContact NZ-OE1 3.09Å; K784-E788 WeakPolarHBondContact O-CG 3.49Å; K784-E788 PolarHBondContact O-N 3.17Å; K784-E788 VanDerWaalsContact O-N 3.1Å; F785-E788 WeakPolarHBondContact O-CB 3.29Å; F785-E788 PolarHBondContact O-N 3.04Å; A786-E788 VanDerWaalsContact C-N 3.31Å; E788-N790 PolarHBondContact O-N 3.29Å; E788-E791 WeakPolarHBondContact O-CB 3.46Å; E788-E791 PolarHBondContact O-N 2.9Å
789	L	97.9	Very high	94.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-39.6	-168.2	-70.4	179.6	0	0	0	116.1	L550 Q554 C557 E558 Y610 F785 A786 I787	L550-L789 HydrophobicContact CD1-CD1 4.38Å; L550-L789 HydrophobicContact CD2-CB 3.84Å; L550-L789 HydrophobicContact CD2-CD1 4.49Å; Q554-L789 HydrophobicContact CB-CD1 4.13Å; Q554-L789 WeakPolarHBondContact O-CD1 3.42Å; C557-L789 HydrophobicContact CB-CD2 4.15Å; E558-L789 HydrophobicContact CG-CD1 3.63Å; Y610-L789 HydrophobicContact CE1-CD2 4.38Å; Y610-L789 WeakPolarHBondContact CE2-O 3.34Å; Y610-L789 WeakPolarHBondContact OH-CA 3.33Å; Y610-L789 WeakPolarHBondContact OH-CB 3.37Å; Y610-L789 VanDerWaalsContact OH-CD2 3.26Å; Y610-L789 WeakPolarHBondContact OH-CD2 3.32Å; Y610-L789 PolarHBondContact OH-O 3.32Å; F785-L789 HydrophobicContact CD1-CD1 4.45Å; F785-L789 HydrophobicContact CD1-CD2 4.13Å; F785-L789 HydrophobicContact CD1-CG 4.31Å; F785-L789 HydrophobicContact CE1-CD1 4.42Å; F785-L789 HydrophobicContact CE1-CD2 3.67Å; F785-L789 HydrophobicContact CE1-CG 4.3Å; F785-L789 HydrophobicContact CZ-CD2 4.23Å; F785-L789 WeakPolarHBondContact O-CG 3.16Å; F785-L789 PolarHBondContact O-N 2.95Å; A786-L789 PolarHBondContact O-N 3.31Å; I787-L789 PolarHBondContact O-N 3.25Å
790	N	98.1	Very high	94.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	8.1	-176.9	-151.2	50.6	0	0	0	113.9	L550 Q554 E788 Q811 R812 E815	L550-N790 HydrophobicContact CD2-CB 3.98Å; Q554-N790 PolarHBondContact NE2-OD1 2.97Å; E788-N790 PolarHBondContact O-N 3.29Å; N790-Q811 PolarHBondContact OD1-NE2 3.48Å; N790-R812 PolarHBondContact ND2-NH1 2.97Å; N790-R812 VanDerWaalsContact O-CZ 3.31Å; N790-R812 PolarHBondContact O-NH1 2.99Å; N790-R812 PolarHBondContact O-NH2 2.8Å; N790-E815 PolarHBondContact ND2-OE2 2.76Å
791	E	96.5	Very high	94.2	Very high	36 Å²	36	41.6 Å²	41.6	17%	0.168	21%	0.213	C	C	.	.			trans	-61.3	136.1	175.5	-174.3	157.5	-133.9	0	0	111.4	R509 R510 E788 R806	R509-E791 VanDerWaalsContact CA-OE2 3.25Å; R509-E791 WeakPolarHBondContact CA-OE2 3.34Å; R509-E791 WeakPolarHBondContact CB-OE2 3.26Å; R510-E791 WeakPolarHBondContact CB-OE1 3.38Å; R510-E791 HydrophobicContact CG-CB 4.38Å; R510-E791 HydrophobicContact CG-CG 4.34Å; R510-E791 VanDerWaalsContact CG-OE1 3.32Å; R510-E791 WeakPolarHBondContact CG-OE1 3.08Å; R510-E791 PolarHBondContact N-OE1 3.14Å; R510-E791 PolarHBondContact N-OE2 3.44Å; E788-E791 WeakPolarHBondContact O-CB 3.46Å; E788-E791 PolarHBondContact O-N 2.9Å; E791-R806 WeakPolarHBondContact O-CD 3.43Å; E791-R806 PolarHBondContact O-NE 3.35Å
792	L	94.6	Very high	94.2	Very high	50 Å²	50	44.9 Å²	44.9	26%	0.262	23%	0.234	S	C	.	.			trans	-132.3	93.6	-178.4	179.2	61.2	0	0	0	110.3	K797 L800 R806 L807	L792-K797 HydrophobicContact CD1-CB 3.89Å; L792-K797 HydrophobicContact CD1-CG 4.42Å; L792-K797 HydrophobicContact CD2-CD 4.48Å; L792-K797 HydrophobicContact CG-CB 4.46Å; L792-L800 HydrophobicContact CD1-CD1 3.56Å; L792-R806 HydrophobicContact CB-CB 4.2Å; L792-R806 HydrophobicContact CD1-CB 4Å; L792-R806 HydrophobicContact CD2-CB 4.34Å; L792-R806 HydrophobicContact CG-CB 4.41Å; L792-L807 HydrophobicContact CD1-CD2 4.35Å; L792-L807 HydrophobicContact CD2-CD2 3.92Å
793	E	89.6	Confident	94.3	Very high	67 Å²	67	45 Å²	45	31%	0.313	23%	0.234	S	C	.	.			trans	-71.4	149	170.8	-62.3	-173.2	149.1	0	0	111.4	C507 S795 L796 K797	C507-E793 PolarHBondContact SG-OE1 2.74Å; E793-S795 VanDerWaalsContact CB-OG 3.27Å; E793-S795 WeakPolarHBondContact CB-OG 3.42Å; E793-S795 PolarHBondContact O-N 2.91Å; E793-S795 PolarHBondContact OE2-OG 3.12Å; E793-L796 HydrophobicContact CB-CB 4.18Å; E793-L796 PolarHBondContact O-N 2.89Å; E793-K797 PolarHBondContact O-N 3.11Å
794	P	88.5	Confident	94.3	Very high	106 Å²	106	44.2 Å²	44.2	69%	0.688	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25	175.5	-23.8	34.6	0	0	0	114.6	Q798	P794-Q798 PolarHBondContact O-NE2 3Å; P794-Q798 VanDerWaalsContact O-NE2 3.17Å
795	S	87.6	Confident	94.5	Very high	64 Å²	64	38.6 Å²	38.6	45%	0.448	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-58.9	170.1	43.6	0	0	0	0	110.6	E793 K797 Q798	E793-S795 VanDerWaalsContact CB-OG 3.27Å; E793-S795 WeakPolarHBondContact CB-OG 3.42Å; E793-S795 PolarHBondContact O-N 2.91Å; E793-S795 PolarHBondContact OE2-OG 3.12Å; S795-K797 PolarHBondContact O-N 2.98Å; S795-Q798 PolarHBondContact O-N 3.39Å; S795-Q798 VanDerWaalsContact O-N 3.08Å
796	L	90.1	Very high	94.5	Very high	35 Å²	35	39 Å²	39	18%	0.183	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-54.2	-41.5	179.6	-179.9	60.4	0	0	0	111.7	E793 Q798 L799 L800	E793-L796 HydrophobicContact CB-CB 4.18Å; E793-L796 PolarHBondContact O-N 2.89Å; L796-Q798 PolarHBondContact O-N 2.95Å; L796-L799 PolarHBondContact O-N 3.29Å; L796-L800 HydrophobicContact CD1-CD2 3.94Å; L796-L800 HydrophobicContact CD1-CG 4.29Å; L796-L800 HydrophobicContact CG-CD1 4.22Å; L796-L800 HydrophobicContact CG-CD2 4.09Å; L796-L800 HydrophobicContact CG-CG 4.07Å; L796-L800 WeakPolarHBondContact O-CG 3.37Å; L796-L800 PolarHBondContact O-N 3.32Å
797	K	91.3	Very high	94.5	Very high	128 Å²	128	40.9 Å²	40.9	56%	0.557	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-52.1	-26.8	178.8	-173.2	171.6	-179.3	178.5	0	114.5	L792 E793 S795 L807	L792-K797 HydrophobicContact CD1-CB 3.89Å; L792-K797 HydrophobicContact CD1-CG 4.42Å; L792-K797 HydrophobicContact CD2-CD 4.48Å; L792-K797 HydrophobicContact CG-CB 4.46Å; E793-K797 PolarHBondContact O-N 3.11Å; S795-K797 PolarHBondContact O-N 2.98Å; K797-L807 HydrophobicContact CG-CD2 4.12Å
798	Q	88.6	Confident	94.5	Very high	153 Å²	153	41 Å²	41	72%	0.715	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-83.7	-13.2	-179.9	-60.5	174.2	47.1	0	0	113.3	P794 S795 L796	P794-Q798 PolarHBondContact O-NE2 3Å; P794-Q798 VanDerWaalsContact O-NE2 3.17Å; S795-Q798 PolarHBondContact O-N 3.39Å; S795-Q798 VanDerWaalsContact O-N 3.08Å; L796-Q798 PolarHBondContact O-N 2.95Å
799	L	91.1	Very high	94.6	Very high	72 Å²	72	43.1 Å²	43.1	38%	0.377	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-16.1	-178.3	-56	176.5	0	0	0	113	L796 F875	L796-L799 PolarHBondContact O-N 3.29Å; L799-F875 WeakPolarHBondContact O-CD2 3.37Å
800	L	94.4	Very high	94.6	Very high	12 Å²	12	43 Å²	43	6%	0.063	23%	0.23	C	C	.	.	S	Bend	trans	-73.3	143.1	179.9	-65.7	177.7	0	0	0	111.5	E611 L792 L796 D804 R806 L807	E611-L800 VanDerWaalsContact CD-CD2 3.45Å; E611-L800 HydrophobicContact CG-CD2 3.55Å; E611-L800 WeakPolarHBondContact OE1-CD2 3.31Å; L792-L800 HydrophobicContact CD1-CD1 3.56Å; L796-L800 HydrophobicContact CD1-CD2 3.94Å; L796-L800 HydrophobicContact CD1-CG 4.29Å; L796-L800 HydrophobicContact CG-CD1 4.22Å; L796-L800 HydrophobicContact CG-CD2 4.09Å; L796-L800 HydrophobicContact CG-CG 4.07Å; L796-L800 WeakPolarHBondContact O-CG 3.37Å; L796-L800 PolarHBondContact O-N 3.32Å; L800-D804 HydrophobicContact CB-CB 4.02Å; L800-D804 HydrophobicContact CD1-CB 4.1Å; L800-D804 HydrophobicContact CD2-CB 4.05Å; L800-D804 HydrophobicContact CG-CB 4.27Å; L800-R806 HydrophobicContact CD1-CB 4.13Å; L800-L807 HydrophobicContact CB-CD1 4.33Å; L800-L807 HydrophobicContact CD1-CD2 4.33Å; L800-L807 HydrophobicContact CD1-CG 4.31Å
801	P	95.8	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.			trans	-65.8	152.6	164	32.3	-34.1	0	0	0	109.2	T803 D804 L807 Y866 F875 F880	P801-T803 PolarHBondContact O-N 3.11Å; P801-D804 HydrophobicContact CG-CB 4.32Å; P801-D804 PolarHBondContact O-N 2.83Å; P801-L807 WeakPolarHBondContact O-CD1 3.45Å; P801-Y866 WeakPolarHBondContact CD-OH 3.29Å; P801-Y866 HydrophobicContact CG-CE2 4.22Å; P801-F875 HydrophobicContact CB-CD2 3.9Å; P801-F875 HydrophobicContact CB-CE2 4.14Å; P801-F875 HydrophobicContact CB-CG 4.17Å; P801-F875 HydrophobicContact CG-CD2 4.31Å; P801-F875 HydrophobicContact CG-CE2 4.08Å; P801-F880 HydrophobicContact CB-CD1 4.27Å; P801-F880 HydrophobicContact CB-CE1 3.5Å; P801-F880 VanDerWaalsContact CB-CE1 3.5Å; P801-F880 HydrophobicContact CB-CE2 4.33Å; P801-F880 HydrophobicContact CB-CZ 3.53Å
802	P	95.9	Very high	94.6	Very high	71 Å²	71	43 Å²	43	46%	0.461	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-5.9	178.2	28.8	-37.1	0	0	0	113.6	F880 W884	P802-F880 HydrophobicContact CG-CB 3.63Å; P802-F880 HydrophobicContact CG-CD1 4.39Å; P802-F880 HydrophobicContact CG-CD2 3.79Å; P802-F880 HydrophobicContact CG-CG 3.7Å; P802-W884 WeakPolarHBondContact O-CZ2 3.33Å
803	T	97.5	Very high	94.8	Very high	2 Å²	2	42 Å²	42	1%	0.012	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.7	175.6	55.3	0	0	0	0	114.2	T609 P801 F880 L883	T609-T803 PolarHBondContact N-O 3.34Å; T609-T803 WeakPolarHBondContact OG1-CB 3.31Å; T609-T803 PolarHBondContact OG1-O 2.92Å; T609-T803 VanDerWaalsContact OG1-O 3.08Å; T609-T803 PolarHBondContact OG1-OG1 2.89Å; P801-T803 PolarHBondContact O-N 3.11Å; T803-F880 HydrophobicContact CG2-CB 4.15Å; T803-F880 HydrophobicContact CG2-CD1 3.72Å; T803-F880 HydrophobicContact CG2-CG 4.33Å; T803-L883 HydrophobicContact CG2-CD1 3.67Å; T803-L883 HydrophobicContact CG2-CG 4.09Å
804	D	98.3	Very high	95.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-67.2	135.1	179.3	-171	-95.7	0	0	0	112.5	T609 Y610 E611 L800 P801 R806 L807	T609-D804 CarbonylContact O-C 3.6Å; T609-D804 VanDerWaalsContact O-CA 3.27Å; T609-D804 WeakPolarHBondContact O-CA 3.04Å; T609-D804 PolarHBondContact OG1-N 3.2Å; Y610-D804 WeakPolarHBondContact CA-OD2 3.31Å; E611-D804 PolarHBondContact N-OD2 2.87Å; L800-D804 HydrophobicContact CB-CB 4.02Å; L800-D804 HydrophobicContact CD1-CB 4.1Å; L800-D804 HydrophobicContact CD2-CB 4.05Å; L800-D804 HydrophobicContact CG-CB 4.27Å; P801-D804 HydrophobicContact CG-CB 4.32Å; P801-D804 PolarHBondContact O-N 2.83Å; D804-R806 PolarHBondContact O-N 3.45Å; D804-R806 VanDerWaalsContact OD1-CB 3.23Å; D804-R806 WeakPolarHBondContact OD1-CB 3.32Å; D804-R806 WeakPolarHBondContact OD1-CD 3.31Å; D804-R806 VanDerWaalsContact OD1-CG 3.23Å; D804-R806 WeakPolarHBondContact OD1-CG 3.46Å; D804-R806 IonicContact OD1-CZ 3.85Å; D804-R806 PolarHBondContact OD1-N 2.89Å; D804-R806 IonicContact OD1-NH1 2.66Å; D804-R806 PolarHBondContact OD1-NH1 3.23Å; D804-R806 IonicContact OD2-NH1 3.15Å; D804-R806 PolarHBondContact OD2-NH1 3.21Å; D804-L807 WeakPolarHBondContact O-CB 3.33Å; D804-L807 PolarHBondContact O-N 2.95Å
805	T	98.6	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-53.7	-28.2	-179.8	-60.1	0	0	0	0	114.1	N551 E608 T609 L807 R808	N551-T805 HydrophobicContact CB-CG2 4.14Å; N551-T805 VanDerWaalsContact ND2-CG2 3.35Å; N551-T805 WeakPolarHBondContact ND2-CG2 3.49Å; N551-T805 PolarHBondContact ND2-OG1 2.77Å; E608-T805 PolarHBondContact OE1-OG1 2.88Å; E608-T805 VanDerWaalsContact OE1-OG1 3.09Å; T609-T805 PolarHBondContact O-N 2.78Å; T609-T805 PolarHBondContact O-OG1 3Å; T609-T805 VanDerWaalsContact O-OG1 3.07Å; T805-L807 PolarHBondContact O-N 2.85Å; T805-R808 WeakPolarHBondContact O-CB 3.39Å; T805-R808 PolarHBondContact O-N 3.04Å
806	R	98.3	Very high	96	Very high	13 Å²	13	35.4 Å²	35.4	5%	0.049	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-63.8	-24	176.1	-67.3	169	-175.5	84.6	-1.1	113.5	Y610 E611 E791 L792 L800 D804 R812	Y610-R806 VanDerWaalsContact CE2-CZ 3.41Å; Y610-R806 PolarHBondContact OH-NH2 3.39Å; E611-R806 VanDerWaalsContact O-CZ 3.25Å; E611-R806 PolarHBondContact O-NH1 3.14Å; E611-R806 PolarHBondContact O-NH2 2.84Å; E791-R806 WeakPolarHBondContact O-CD 3.43Å; E791-R806 PolarHBondContact O-NE 3.35Å; L792-R806 HydrophobicContact CB-CB 4.2Å; L792-R806 HydrophobicContact CD1-CB 4Å; L792-R806 HydrophobicContact CD2-CB 4.34Å; L792-R806 HydrophobicContact CG-CB 4.41Å; L800-R806 HydrophobicContact CD1-CB 4.13Å; D804-R806 PolarHBondContact O-N 3.45Å; D804-R806 VanDerWaalsContact OD1-CB 3.23Å; D804-R806 WeakPolarHBondContact OD1-CB 3.32Å; D804-R806 WeakPolarHBondContact OD1-CD 3.31Å; D804-R806 VanDerWaalsContact OD1-CG 3.23Å; D804-R806 WeakPolarHBondContact OD1-CG 3.46Å; D804-R806 IonicContact OD1-CZ 3.85Å; D804-R806 PolarHBondContact OD1-N 2.89Å; D804-R806 IonicContact OD1-NH1 2.66Å; D804-R806 PolarHBondContact OD1-NH1 3.23Å; D804-R806 IonicContact OD2-NH1 3.15Å; D804-R806 PolarHBondContact OD2-NH1 3.21Å; R806-R812 PolarHBondContact O-NH2 2.97Å
807	L	97.6	Very high	96.3	Very high	39 Å²	39	35.4 Å²	35.4	20%	0.204	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-89.5	-7.5	178.6	-52.6	177.8	0	0	0	112.3	L792 K797 L800 P801 D804 T805 V809 W884	L792-L807 HydrophobicContact CD1-CD2 4.35Å; L792-L807 HydrophobicContact CD2-CD2 3.92Å; K797-L807 HydrophobicContact CG-CD2 4.12Å; L800-L807 HydrophobicContact CB-CD1 4.33Å; L800-L807 HydrophobicContact CD1-CD2 4.33Å; L800-L807 HydrophobicContact CD1-CG 4.31Å; P801-L807 WeakPolarHBondContact O-CD1 3.45Å; D804-L807 WeakPolarHBondContact O-CB 3.33Å; D804-L807 PolarHBondContact O-N 2.95Å; T805-L807 PolarHBondContact O-N 2.85Å; L807-V809 PolarHBondContact O-N 2.96Å; L807-W884 HydrophobicContact CB-CZ2 4.08Å
808	R	98.2	Very high	96.5	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.011	18%	0.177	C	C	.	.			trans	-71.3	113.2	-179.3	179.3	173	168.8	159.1	0.1	110.9	N603 E608 T805 D810 Q811 R812 W884	N603-R808 PolarHBondContact O-NH1 3Å; E608-R808 WeakPolarHBondContact OE1-CD 3.48Å; E608-R808 IonicContact OE1-NH1 3.84Å; E608-R808 IonicContact OE2-CZ 2.81Å; E608-R808 IonicContact OE2-NH1 2.78Å; E608-R808 PolarHBondContact OE2-NH1 3.01Å; T805-R808 WeakPolarHBondContact O-CB 3.39Å; T805-R808 PolarHBondContact O-N 3.04Å; R808-D810 WeakPolarHBondContact CG-OD1 3.23Å; R808-D810 IonicContact CZ-OD1 3.71Å; R808-D810 IonicContact CZ-OD2 3.74Å; R808-D810 IonicContact NE-OD1 2.69Å; R808-D810 PolarHBondContact NE-OD1 2.54Å; R808-D810 IonicContact NE-OD2 3.94Å; R808-D810 IonicContact NH2-OD1 2.62Å; R808-D810 IonicContact NH2-OD2 2.68Å; R808-D810 PolarHBondContact NH2-OD2 2.99Å; R808-Q811 HydrophobicContact CG-CB 4.35Å; R808-Q811 PolarHBondContact O-N 2.86Å; R808-R812 PolarHBondContact O-N 2.72Å; R808-W884 HydrophobicContact CB-CE3 4.16Å; R808-W884 HydrophobicContact CB-CH2 3.82Å; R808-W884 HydrophobicContact CB-CZ2 4.28Å; R808-W884 HydrophobicContact CB-CZ3 3.76Å; R808-W884 HydrophobicContact CG-CE3 4.03Å; R808-W884 HydrophobicContact CG-CH2 4.45Å; R808-W884 HydrophobicContact CG-CZ3 3.88Å
809	V	97.8	Very high	96.7	Very high	53 Å²	53	27.7 Å²	27.7	32%	0.321	15%	0.154	S	C	.	.	H	α-helix	trans	-69.6	-41.1	-163.3	-167.1	0	0	0	0	113.7	L807 Q811 R812 L813 Q825	L807-V809 PolarHBondContact O-N 2.96Å; V809-Q811 VanDerWaalsContact C-N 3.32Å; V809-Q811 PolarHBondContact O-N 3.08Å; V809-R812 PolarHBondContact O-N 2.89Å; V809-L813 HydrophobicContact CG1-CD1 3.8Å; V809-L813 HydrophobicContact CG1-CG 4.3Å; V809-L813 WeakPolarHBondContact O-CG 3.36Å; V809-L813 PolarHBondContact O-N 2.8Å; V809-Q825 HydrophobicContact CG1-CG 4.05Å
810	D	98.1	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-33.3	179.8	62.7	-35.3	0	0	0	113.3	F602 R808 L814 A822 Q825 K826 I829	F602-D810 HydrophobicContact CE1-CB 4.37Å; F602-D810 VanDerWaalsContact CE1-OD2 3.25Å; F602-D810 WeakPolarHBondContact CE1-OD2 3.36Å; R808-D810 WeakPolarHBondContact CG-OD1 3.23Å; R808-D810 IonicContact CZ-OD1 3.71Å; R808-D810 IonicContact CZ-OD2 3.74Å; R808-D810 IonicContact NE-OD1 2.69Å; R808-D810 PolarHBondContact NE-OD1 2.54Å; R808-D810 IonicContact NE-OD2 3.94Å; R808-D810 IonicContact NH2-OD1 2.62Å; R808-D810 IonicContact NH2-OD2 2.68Å; R808-D810 PolarHBondContact NH2-OD2 2.99Å; D810-L814 PolarHBondContact O-N 3.43Å; D810-A822 WeakPolarHBondContact CB-O 3.49Å; D810-Q825 HydrophobicContact CB-CB 4.08Å; D810-K826 HydrophobicContact CB-CB 3.76Å; D810-K826 WeakPolarHBondContact OD2-CB 3.45Å; D810-I829 HydrophobicContact CB-CD1 4.26Å; D810-I829 WeakPolarHBondContact OD1-CD1 3.48Å
811	Q	98.1	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-73.2	-39	174.8	-174.1	173.3	-48.2	0	0	112.1	P549 F602 N790 R808 V809 E815	P549-Q811 PolarHBondContact O-NE2 2.92Å; F602-Q811 HydrophobicContact CD2-CB 4.06Å; F602-Q811 HydrophobicContact CD2-CG 3.79Å; F602-Q811 HydrophobicContact CE2-CB 3.9Å; F602-Q811 HydrophobicContact CE2-CG 3.77Å; F602-Q811 HydrophobicContact CG-CB 4.48Å; F602-Q811 HydrophobicContact CZ-CB 4.17Å; N790-Q811 PolarHBondContact OD1-NE2 3.48Å; R808-Q811 HydrophobicContact CG-CB 4.35Å; R808-Q811 PolarHBondContact O-N 2.86Å; V809-Q811 VanDerWaalsContact C-N 3.32Å; V809-Q811 PolarHBondContact O-N 3.08Å; Q811-E815 PolarHBondContact O-N 2.94Å
812	R	97.7	Very high	97.1	Very high	35 Å²	35	32.8 Å²	32.8	13%	0.132	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-47.2	176.2	-175	62.1	59.9	-167	4.2	111.9	N790 R806 R808 V809 L814 E815 E816	N790-R812 PolarHBondContact ND2-NH1 2.97Å; N790-R812 VanDerWaalsContact O-CZ 3.31Å; N790-R812 PolarHBondContact O-NH1 2.99Å; N790-R812 PolarHBondContact O-NH2 2.8Å; R806-R812 PolarHBondContact O-NH2 2.97Å; R808-R812 PolarHBondContact O-N 2.72Å; V809-R812 PolarHBondContact O-N 2.89Å; R812-L814 VanDerWaalsContact C-N 3.32Å; R812-L814 PolarHBondContact O-N 3.39Å; R812-E815 IonicContact CZ-OE2 2.71Å; R812-E815 IonicContact NH1-OE2 3.55Å; R812-E815 PolarHBondContact NH1-OE2 3.42Å; R812-E815 WeakPolarHBondContact O-CA 3.5Å; R812-E815 VanDerWaalsContact O-CB 3.27Å; R812-E815 WeakPolarHBondContact O-CB 3.23Å; R812-E815 PolarHBondContact O-N 3.18Å; R812-E816 VanDerWaalsContact CD-OE1 3.26Å; R812-E816 WeakPolarHBondContact CD-OE1 3.34Å; R812-E816 WeakPolarHBondContact CG-OE1 3.49Å; R812-E816 PolarHBondContact O-N 3.17Å
813	L	98.1	Very high	97	Very high	30 Å²	30	31.1 Å²	31.1	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-36.1	-179.2	-69.6	166.2	0	0	0	112.3	V809 E815 E816 G817 D818 A821 A822 Q825	V809-L813 HydrophobicContact CG1-CD1 3.8Å; V809-L813 HydrophobicContact CG1-CG 4.3Å; V809-L813 WeakPolarHBondContact O-CG 3.36Å; V809-L813 PolarHBondContact O-N 2.8Å; L813-E815 VanDerWaalsContact C-N 3.3Å; L813-E815 PolarHBondContact O-N 3.24Å; L813-E816 PolarHBondContact O-N 2.88Å; L813-G817 PolarHBondContact O-N 3.17Å; L813-D818 HydrophobicContact CB-CB 4.47Å; L813-D818 HydrophobicContact CD2-CB 4.23Å; L813-D818 PolarHBondContact O-N 3.05Å; L813-A821 HydrophobicContact CD1-CB 3.76Å; L813-A821 HydrophobicContact CD2-CB 4.35Å; L813-A822 HydrophobicContact CB-CB 3.7Å; L813-Q825 HydrophobicContact CD1-CB 4.39Å; L813-Q825 HydrophobicContact CD1-CG 3.83Å
814	L	96.9	Very high	97	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-34.9	172.2	178.7	63.9	0	0	0	112.6	V544 N547 F602 Y780 D810 R812 G817 L819 A822	V544-L814 HydrophobicContact CG2-CB 4.23Å; V544-L814 HydrophobicContact CG2-CD1 4.37Å; V544-L814 HydrophobicContact CG2-CD2 4.13Å; V544-L814 HydrophobicContact CG2-CG 4.46Å; N547-L814 HydrophobicContact CB-CD2 3.86Å; F602-L814 HydrophobicContact CE2-CD2 3.64Å; F602-L814 HydrophobicContact CZ-CB 4.35Å; F602-L814 HydrophobicContact CZ-CD2 3.88Å; Y780-L814 PolarHBondContact OH-O 2.92Å; D810-L814 PolarHBondContact O-N 3.43Å; R812-L814 VanDerWaalsContact C-N 3.32Å; R812-L814 PolarHBondContact O-N 3.39Å; L814-G817 PolarHBondContact O-N 3.42Å; L814-L819 HydrophobicContact CD1-CD2 3.58Å; L814-A822 HydrophobicContact CB-CB 4.27Å
815	E	97.1	Very high	97	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-73.9	-33.5	179.6	-161.6	178.2	-160.1	0	0	112.8	R510 L513 P549 N790 Q811 R812 L813 G817	R510-E815 IonicContact CZ-OE1 2.65Å; R510-E815 IonicContact NH1-OE1 3.23Å; R510-E815 PolarHBondContact NH1-OE1 3.34Å; R510-E815 IonicContact NH1-OE2 3.43Å; R510-E815 IonicContact NH2-OE1 2.71Å; R510-E815 PolarHBondContact NH2-OE1 2.76Å; L513-E815 HydrophobicContact CD2-CG 4.46Å; P549-E815 HydrophobicContact CB-CB 3.59Å; P549-E815 HydrophobicContact CB-CG 3.8Å; P549-E815 HydrophobicContact CG-CB 4.25Å; P549-E815 HydrophobicContact CG-CG 4.05Å; N790-E815 PolarHBondContact ND2-OE2 2.76Å; Q811-E815 PolarHBondContact O-N 2.94Å; R812-E815 IonicContact CZ-OE2 2.71Å; R812-E815 IonicContact NH1-OE2 3.55Å; R812-E815 PolarHBondContact NH1-OE2 3.42Å; R812-E815 WeakPolarHBondContact O-CA 3.5Å; R812-E815 VanDerWaalsContact O-CB 3.27Å; R812-E815 WeakPolarHBondContact O-CB 3.23Å; R812-E815 PolarHBondContact O-N 3.18Å; L813-E815 VanDerWaalsContact C-N 3.3Å; L813-E815 PolarHBondContact O-N 3.24Å; E815-G817 VanDerWaalsContact C-N 3.34Å
816	E	96.9	Very high	96.9	Very high	96 Å²	96	38.6 Å²	38.6	45%	0.449	20%	0.2	S	C	.	.	H	α-helix	trans	-80.9	-16.9	173.9	-68.7	167.2	177.3	0	0	112	T515 R812 L813	T515-E816 WeakPolarHBondContact CB-O 3.38Å; T515-E816 PolarHBondContact OG1-O 2.81Å; R812-E816 VanDerWaalsContact CD-OE1 3.26Å; R812-E816 WeakPolarHBondContact CD-OE1 3.34Å; R812-E816 WeakPolarHBondContact CG-OE1 3.49Å; R812-E816 PolarHBondContact O-N 3.17Å; L813-E816 PolarHBondContact O-N 2.88Å
817	G	95.3	Very high	96.7	Very high	34 Å²	34	43.1 Å²	43.1	35%	0.351	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	3	173.6	0	0	0	0	0	115.5	L813 L814 E815 L819	L813-G817 PolarHBondContact O-N 3.17Å; L814-G817 PolarHBondContact O-N 3.42Å; E815-G817 VanDerWaalsContact C-N 3.34Å; G817-L819 PolarHBondContact O-N 3.08Å
818	D	96.4	Very high	96.7	Very high	75 Å²	75	46.5 Å²	46.5	40%	0.401	23%	0.232	S	C	.	.			trans	-80	84	174	-169.7	-20.4	0	0	0	110.5	L813 E820 A821 A822	L813-D818 HydrophobicContact CB-CB 4.47Å; L813-D818 HydrophobicContact CD2-CB 4.23Å; L813-D818 PolarHBondContact O-N 3.05Å; D818-E820 VanDerWaalsContact C-N 3.27Å; D818-E820 PolarHBondContact O-N 3.25Å; D818-E820 PolarHBondContact OD1-N 2.8Å; D818-A821 HydrophobicContact CB-CB 4.43Å; D818-A821 VanDerWaalsContact CG-CB 3.46Å; D818-A821 WeakPolarHBondContact OD1-CB 3.29Å; D818-A821 PolarHBondContact OD1-N 2.71Å; D818-A821 WeakPolarHBondContact OD2-CB 3.19Å; D818-A822 WeakPolarHBondContact O-CB 3.33Å; D818-A822 PolarHBondContact O-N 3.29Å
819	L	93.3	Very high	96.6	Very high	45 Å²	45	46.4 Å²	46.4	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-26.4	-178.7	-61.4	170.4	0	0	0	113.8	P518 L814 G817 E823	P518-L819 HydrophobicContact CB-CD1 3.86Å; P518-L819 HydrophobicContact CB-CD2 3.98Å; P518-L819 HydrophobicContact CG-CD2 3.94Å; L814-L819 HydrophobicContact CD1-CD2 3.58Å; G817-L819 PolarHBondContact O-N 3.08Å; L819-E823 WeakPolarHBondContact O-CB 3.29Å; L819-E823 PolarHBondContact O-N 2.74Å
820	E	94.7	Very high	96.3	Very high	167 Å²	167	45.8 Å²	45.8	78%	0.78	23%	0.225	S	C	*	.	H	α-helix	trans	-81.6	-51.3	-175.7	-172.8	164.2	-169.1	0	0	109.9	D818 A822 E823 E824	D818-E820 VanDerWaalsContact C-N 3.27Å; D818-E820 PolarHBondContact O-N 3.25Å; D818-E820 PolarHBondContact OD1-N 2.8Å; E820-A822 VanDerWaalsContact C-N 3.31Å; E820-A822 PolarHBondContact O-N 2.72Å; E820-E823 PolarHBondContact O-N 2.99Å; E820-E824 PolarHBondContact O-N 3.47Å
821	A	97.3	Very high	96.1	Very high	23 Å²	23	49.3 Å²	49.3	19%	0.19	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-34	174.1	0	0	0	0	0	111.9	L813 D818 E823 E824 Q825	L813-A821 HydrophobicContact CD1-CB 3.76Å; L813-A821 HydrophobicContact CD2-CB 4.35Å; D818-A821 HydrophobicContact CB-CB 4.43Å; D818-A821 VanDerWaalsContact CG-CB 3.46Å; D818-A821 WeakPolarHBondContact OD1-CB 3.29Å; D818-A821 PolarHBondContact OD1-N 2.71Å; D818-A821 WeakPolarHBondContact OD2-CB 3.19Å; A821-E823 PolarHBondContact O-N 2.81Å; A821-E824 PolarHBondContact O-N 2.74Å; A821-Q825 WeakPolarHBondContact O-CB 3.39Å; A821-Q825 WeakPolarHBondContact O-CG 3.28Å; A821-Q825 PolarHBondContact O-N 2.94Å
822	A	97	Very high	96	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-40.9	174	0	0	0	0	0	112.5	V544 D810 L813 L814 D818 E820 K826	V544-A822 HydrophobicContact CG1-CB 4.11Å; V544-A822 HydrophobicContact CG2-CB 3.97Å; D810-A822 WeakPolarHBondContact CB-O 3.49Å; L813-A822 HydrophobicContact CB-CB 3.7Å; L814-A822 HydrophobicContact CB-CB 4.27Å; D818-A822 WeakPolarHBondContact O-CB 3.33Å; D818-A822 PolarHBondContact O-N 3.29Å; E820-A822 VanDerWaalsContact C-N 3.31Å; E820-A822 PolarHBondContact O-N 2.72Å; A822-K826 WeakPolarHBondContact O-CB 3.31Å; A822-K826 PolarHBondContact O-N 2.98Å
823	E	94.9	Very high	95.9	Very high	37 Å²	37	51.7 Å²	51.7	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-70.2	-39.6	176.7	-175.8	63.2	-139.9	0	0	111.4	P543 V544 L819 E820 A821 K826 Q827	P543-E823 WeakPolarHBondContact CA-OE2 3.32Å; V544-E823 WeakPolarHBondContact CB-OE2 3.36Å; V544-E823 HydrophobicContact CG1-CB 3.81Å; V544-E823 PolarHBondContact N-OE2 2.71Å; L819-E823 WeakPolarHBondContact O-CB 3.29Å; L819-E823 PolarHBondContact O-N 2.74Å; E820-E823 PolarHBondContact O-N 2.99Å; A821-E823 PolarHBondContact O-N 2.81Å; E823-K826 PolarHBondContact O-N 3.24Å; E823-Q827 WeakPolarHBondContact O-CG 3.43Å; E823-Q827 PolarHBondContact O-N 2.64Å; E823-Q827 PolarHBondContact OE1-NE2 2.83Å
824	E	97	Very high	95.6	Very high	121 Å²	121	54.8 Å²	54.8	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-61.8	-53.8	175.1	-167.7	-157.2	169.3	0	0	111.7	E820 A821 K826 Q827 R828	E820-E824 PolarHBondContact O-N 3.47Å; A821-E824 PolarHBondContact O-N 2.74Å; E824-K826 VanDerWaalsContact C-N 3.25Å; E824-K826 PolarHBondContact O-N 3.24Å; E824-Q827 PolarHBondContact O-N 2.85Å; E824-Q827 VanDerWaalsContact O-N 3.14Å; E824-R828 PolarHBondContact O-N 3.28Å
825	Q	98	Very high	95.5	Very high	32 Å²	32	57.2 Å²	57.2	15%	0.15	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-34.8	-179.3	-65.9	-48.7	-54.8	0	0	111.3	V809 D810 L813 A821 R828 I829	V809-Q825 HydrophobicContact CG1-CG 4.05Å; D810-Q825 HydrophobicContact CB-CB 4.08Å; L813-Q825 HydrophobicContact CD1-CB 4.39Å; L813-Q825 HydrophobicContact CD1-CG 3.83Å; A821-Q825 WeakPolarHBondContact O-CB 3.39Å; A821-Q825 WeakPolarHBondContact O-CG 3.28Å; A821-Q825 PolarHBondContact O-N 2.94Å; Q825-R828 WeakPolarHBondContact O-CB 3.46Å; Q825-R828 PolarHBondContact O-N 2.81Å; Q825-I829 WeakPolarHBondContact O-CB 3.35Å; Q825-I829 WeakPolarHBondContact O-CG1 3.47Å; Q825-I829 PolarHBondContact O-N 2.91Å
826	K	96	Very high	95.3	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-45.6	174.1	-176.7	-178.7	-168.8	179.2	0	112.3	M542 V544 N547 F602 D810 A822 E823 E824 R828 I829 E830	M542-K826 PolarHBondContact O-NZ 2.86Å; V544-K826 HydrophobicContact CB-CD 4.03Å; V544-K826 HydrophobicContact CG2-CD 4.22Å; N547-K826 PolarHBondContact OD1-NZ 2.86Å; F602-K826 HydrophobicContact CE1-CD 4.36Å; D810-K826 HydrophobicContact CB-CB 3.76Å; D810-K826 WeakPolarHBondContact OD2-CB 3.45Å; A822-K826 WeakPolarHBondContact O-CB 3.31Å; A822-K826 PolarHBondContact O-N 2.98Å; E823-K826 PolarHBondContact O-N 3.24Å; E824-K826 VanDerWaalsContact C-N 3.25Å; E824-K826 PolarHBondContact O-N 3.24Å; K826-R828 VanDerWaalsContact C-N 3.32Å; K826-R828 PolarHBondContact O-N 2.91Å; K826-I829 PolarHBondContact O-N 2.86Å; K826-E830 WeakPolarHBondContact O-CB 3.24Å; K826-E830 WeakPolarHBondContact O-CG 3.44Å; K826-E830 PolarHBondContact O-N 3.13Å
827	Q	93.9	Very high	95.1	Very high	107 Å²	107	57.7 Å²	57.7	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-39.7	177.7	-71	177.5	28.3	0	0	111.3	E823 E824 Q831	E823-Q827 WeakPolarHBondContact O-CG 3.43Å; E823-Q827 PolarHBondContact O-N 2.64Å; E823-Q827 PolarHBondContact OE1-NE2 2.83Å; E824-Q827 PolarHBondContact O-N 2.85Å; E824-Q827 VanDerWaalsContact O-N 3.14Å; Q827-Q831 VanDerWaalsContact O-CB 3.25Å; Q827-Q831 WeakPolarHBondContact O-CB 3.46Å; Q827-Q831 PolarHBondContact O-N 2.87Å
828	R	97.1	Very high	94.9	Very high	111 Å²	111	61.5 Å²	61.5	42%	0.419	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-47.9	173	178.5	173.8	169.5	-91.5	-17	112.3	E824 Q825 K826 Q831 L832 W884	E824-R828 PolarHBondContact O-N 3.28Å; Q825-R828 WeakPolarHBondContact O-CB 3.46Å; Q825-R828 PolarHBondContact O-N 2.81Å; K826-R828 VanDerWaalsContact C-N 3.32Å; K826-R828 PolarHBondContact O-N 2.91Å; R828-Q831 WeakPolarHBondContact O-CB 3.41Å; R828-Q831 PolarHBondContact O-N 3.02Å; R828-L832 HydrophobicContact CG-CD1 4.37Å; R828-L832 WeakPolarHBondContact O-CG 3.42Å; R828-L832 PolarHBondContact O-N 2.83Å; R828-W884 PolarHBondContact NH1-OXT 3.47Å; R828-W884 PolarHBondContact NH2-OXT 3.38Å
829	I	96.6	Very high	94.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-45.7	-179.6	-70.6	171	0	0	0	111.6	V605 D810 Q825 K826 Q831 L832 Q833 W884	V605-I829 HydrophobicContact CG1-CG2 3.72Å; D810-I829 HydrophobicContact CB-CD1 4.26Å; D810-I829 WeakPolarHBondContact OD1-CD1 3.48Å; Q825-I829 WeakPolarHBondContact O-CB 3.35Å; Q825-I829 WeakPolarHBondContact O-CG1 3.47Å; Q825-I829 PolarHBondContact O-N 2.91Å; K826-I829 PolarHBondContact O-N 2.86Å; I829-Q831 PolarHBondContact O-N 2.87Å; I829-L832 PolarHBondContact O-N 3.34Å; I829-Q833 PolarHBondContact O-N 3.09Å; I829-Q833 VanDerWaalsContact O-N 3.09Å; I829-W884 HydrophobicContact CD1-CB 3.7Å; I829-W884 HydrophobicContact CG1-CB 3.69Å
830	E	92.9	Very high	94.7	Very high	41 Å²	41	61.1 Å²	61.1	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-33.8	173.4	-72.3	-168	-177.1	0	0	111.7	T541 K826 R834	T541-E830 WeakPolarHBondContact CG2-OE1 3.28Å; T541-E830 WeakPolarHBondContact CG2-OE2 3.33Å; T541-E830 PolarHBondContact OG1-OE2 2.85Å; K826-E830 WeakPolarHBondContact O-CB 3.24Å; K826-E830 WeakPolarHBondContact O-CG 3.44Å; K826-E830 PolarHBondContact O-N 3.13Å; E830-R834 VanDerWaalsContact CB-NH2 3.33Å; E830-R834 VanDerWaalsContact O-CG 3.29Å; E830-R834 WeakPolarHBondContact O-CG 3.46Å; E830-R834 PolarHBondContact O-N 3.01Å; E830-R834 VanDerWaalsContact O-N 3.13Å; E830-R834 IonicContact OE2-CZ 2.88Å; E830-R834 IonicContact OE2-NH2 3.65Å; E830-R834 PolarHBondContact OE2-NH2 2.86Å
831	Q	93.1	Very high	94.6	Very high	73 Å²	73	59.2 Å²	59.2	34%	0.341	27%	0.272	S	S	.	.	H	α-helix	trans	-71.7	-46.9	177.6	-173.8	56.1	35.1	0	0	112.5	Q827 R828 I829 Q833 R834 D835	Q827-Q831 VanDerWaalsContact O-CB 3.25Å; Q827-Q831 WeakPolarHBondContact O-CB 3.46Å; Q827-Q831 PolarHBondContact O-N 2.87Å; R828-Q831 WeakPolarHBondContact O-CB 3.41Å; R828-Q831 PolarHBondContact O-N 3.02Å; I829-Q831 PolarHBondContact O-N 2.87Å; Q831-Q833 PolarHBondContact O-N 2.8Å; Q831-R834 WeakPolarHBondContact O-CA 3.49Å; Q831-R834 WeakPolarHBondContact O-CB 3.24Å; Q831-R834 PolarHBondContact O-N 2.72Å; Q831-D835 VanDerWaalsContact NE2-CG 3.29Å; Q831-D835 PolarHBondContact NE2-OD1 3.41Å; Q831-D835 PolarHBondContact NE2-OD2 3.36Å; Q831-D835 PolarHBondContact O-N 3Å
832	L	96	Very high	94.5	Very high	70 Å²	70	64.1 Å²	64.1	37%	0.366	29%	0.291	S	S	.	.	H	α-helix	trans	-53.3	-41.1	173.1	-72.6	170.7	0	0	0	111.4	R828 I829 D835 R836	R828-L832 HydrophobicContact CG-CD1 4.37Å; R828-L832 WeakPolarHBondContact O-CG 3.42Å; R828-L832 PolarHBondContact O-N 2.83Å; I829-L832 PolarHBondContact O-N 3.34Å; L832-D835 PolarHBondContact O-N 2.91Å; L832-R836 WeakPolarHBondContact O-CB 3.1Å; L832-R836 PolarHBondContact O-N 3.38Å
833	Q	94.8	Very high	94.4	Very high	16 Å²	16	69 Å²	69	8%	0.075	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-38.1	175.2	-163.8	-153.6	-133.3	0	0	113.1	V605 H628 I829 Q831 R837	V605-Q833 VanDerWaalsContact CA-OE1 3.28Å; V605-Q833 HydrophobicContact CB-CG 4.21Å; V605-Q833 HydrophobicContact CG1-CB 4.35Å; V605-Q833 HydrophobicContact CG1-CG 4.47Å; H628-Q833 PolarHBondContact CE1-NE2 3.09Å; H628-Q833 PolarHBondContact CE1-OE1 3.49Å; H628-Q833 VanDerWaalsContact CE1-OE1 3.25Å; H628-Q833 PolarHBondContact ND1-OE1 2.82Å; H628-Q833 PolarHBondContact NE2-NE2 2.85Å; I829-Q833 PolarHBondContact O-N 3.09Å; I829-Q833 VanDerWaalsContact O-N 3.09Å; Q831-Q833 PolarHBondContact O-N 2.8Å; Q833-R837 WeakPolarHBondContact O-CB 3.48Å; Q833-R837 PolarHBondContact O-N 2.9Å; Q833-R837 VanDerWaalsContact O-N 3.08Å
834	R	92.4	Very high	94.3	Very high	94 Å²	94	74.6 Å²	74.6	36%	0.355	35%	0.348	S	S	.	.	H	α-helix	trans	-64.4	-40.9	175.3	-69.1	166.3	-155.6	131.6	3.1	111.2	E830 Q831 R837 R838	E830-R834 VanDerWaalsContact CB-NH2 3.33Å; E830-R834 VanDerWaalsContact O-CG 3.29Å; E830-R834 WeakPolarHBondContact O-CG 3.46Å; E830-R834 PolarHBondContact O-N 3.01Å; E830-R834 VanDerWaalsContact O-N 3.13Å; E830-R834 IonicContact OE2-CZ 2.88Å; E830-R834 IonicContact OE2-NH2 3.65Å; E830-R834 PolarHBondContact OE2-NH2 2.86Å; Q831-R834 WeakPolarHBondContact O-CA 3.49Å; Q831-R834 WeakPolarHBondContact O-CB 3.24Å; Q831-R834 PolarHBondContact O-N 2.72Å; R834-R837 PolarHBondContact O-N 2.76Å; R834-R838 PolarHBondContact O-N 3.12Å
835	D	94.3	Very high	94	Very high	52 Å²	52	74.7 Å²	74.7	28%	0.278	35%	0.35	S	S	.	.	H	α-helix	trans	-74.1	-44.3	-178.9	-66.8	-42.2	0	0	0	112	Q831 L832 R837 R838 V839	Q831-D835 VanDerWaalsContact NE2-CG 3.29Å; Q831-D835 PolarHBondContact NE2-OD1 3.41Å; Q831-D835 PolarHBondContact NE2-OD2 3.36Å; Q831-D835 PolarHBondContact O-N 3Å; L832-D835 PolarHBondContact O-N 2.91Å; D835-R837 PolarHBondContact O-N 3.25Å; D835-R838 PolarHBondContact O-N 3.25Å; D835-R838 VanDerWaalsContact O-N 3.09Å; D835-R838 IonicContact OD1-CZ 2.8Å; D835-R838 IonicContact OD1-NH1 2.69Å; D835-R838 PolarHBondContact OD1-NH1 3.33Å; D835-R838 IonicContact OD1-NH2 2.77Å; D835-R838 PolarHBondContact OD1-NH2 2.94Å; D835-V839 WeakPolarHBondContact O-CG2 3.41Å; D835-V839 PolarHBondContact O-N 3.16Å
836	R	93.9	Very high	93.5	Very high	55 Å²	55	77 Å²	77	21%	0.208	37%	0.369	C	S	.	.	H	α-helix	trans	-55.6	-38.5	170.5	172.6	174.6	155.3	-140	-11.2	111.9	L606 L832 L840 H847	L606-R836 PolarHBondContact O-NH1 3.08Å; L606-R836 PolarHBondContact O-NH2 3.32Å; L832-R836 WeakPolarHBondContact O-CB 3.1Å; L832-R836 PolarHBondContact O-N 3.38Å; R836-L840 HydrophobicContact CG-CD1 4.42Å; R836-L840 WeakPolarHBondContact O-CG 3.45Å; R836-L840 PolarHBondContact O-N 3.31Å; R836-L840 VanDerWaalsContact O-N 3.13Å; R836-H847 PolarHBondContact NH2-ND1 2.77Å
837	R	92	Very high	93.2	Very high	52 Å²	52	78.8 Å²	78.8	20%	0.196	38%	0.378	C	S	.	.	H	α-helix	trans	-66.4	-44.9	175.3	-169.2	-169.3	-53.8	154.2	2.1	112	H628 H629 Q833 R834 D835 V839 L840 E841	H628-R837 PolarHBondContact CD2-NH2 2.96Å; H629-R837 PolarHBondContact CD2-NH1 2.91Å; H629-R837 PolarHBondContact NE2-NH1 3.23Å; Q833-R837 WeakPolarHBondContact O-CB 3.48Å; Q833-R837 PolarHBondContact O-N 2.9Å; Q833-R837 VanDerWaalsContact O-N 3.08Å; R834-R837 PolarHBondContact O-N 2.76Å; D835-R837 PolarHBondContact O-N 3.25Å; R837-V839 VanDerWaalsContact C-N 3.28Å; R837-V839 PolarHBondContact O-N 3.4Å; R837-L840 PolarHBondContact O-N 2.9Å; R837-L840 VanDerWaalsContact O-N 3.11Å; R837-E841 WeakPolarHBondContact CD-OE1 3.41Å; R837-E841 HydrophobicContact CG-CG 4.28Å; R837-E841 VanDerWaalsContact CG-OE1 3.29Å; R837-E841 WeakPolarHBondContact CG-OE1 3.12Å; R837-E841 WeakPolarHBondContact O-CG 3.38Å; R837-E841 PolarHBondContact O-N 2.79Å
838	R	92.3	Very high	93.1	Very high	114 Å²	114	80.3 Å²	80.3	43%	0.43	39%	0.385	S	S	.	.	H	α-helix	trans	-57.7	-43.8	177.5	-163.4	-167.1	-56.2	105.7	16.9	111	R834 D835 L840 E841 E842	R834-R838 PolarHBondContact O-N 3.12Å; D835-R838 PolarHBondContact O-N 3.25Å; D835-R838 VanDerWaalsContact O-N 3.09Å; D835-R838 IonicContact OD1-CZ 2.8Å; D835-R838 IonicContact OD1-NH1 2.69Å; D835-R838 PolarHBondContact OD1-NH1 3.33Å; D835-R838 IonicContact OD1-NH2 2.77Å; D835-R838 PolarHBondContact OD1-NH2 2.94Å; R838-L840 VanDerWaalsContact C-N 3.35Å; R838-L840 PolarHBondContact O-N 3.48Å; R838-E841 PolarHBondContact O-N 3.3Å; R838-E842 WeakPolarHBondContact CD-OE1 3.44Å; R838-E842 HydrophobicContact CG-CG 4.27Å; R838-E842 VanDerWaalsContact CG-OE1 3.29Å; R838-E842 WeakPolarHBondContact CG-OE1 3.2Å; R838-E842 WeakPolarHBondContact O-CB 3.5Å; R838-E842 VanDerWaalsContact O-CG 3.25Å; R838-E842 WeakPolarHBondContact O-CG 3.43Å; R838-E842 PolarHBondContact O-N 3.49Å
839	V	93.8	Very high	93.1	Very high	78 Å²	78	75.8 Å²	75.8	47%	0.473	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-40.6	176.1	174.2	0	0	0	0	111.9	D835 R837 N843	D835-V839 WeakPolarHBondContact O-CG2 3.41Å; D835-V839 PolarHBondContact O-N 3.16Å; R837-V839 VanDerWaalsContact C-N 3.28Å; R837-V839 PolarHBondContact O-N 3.4Å; V839-N843 WeakPolarHBondContact O-CB 3.43Å; V839-N843 PolarHBondContact O-N 3.07Å; V839-N843 VanDerWaalsContact O-N 3.15Å; V839-N843 PolarHBondContact O-ND2 3.02Å
840	L	91.6	Very high	93	Very high	35 Å²	35	78.3 Å²	78.3	18%	0.183	38%	0.381	C	S	.	.	H	α-helix	trans	-65.6	-44.9	174.7	-72.7	170.8	0	0	0	112	R836 R837 R838 N843 N844 M845 H847	R836-L840 HydrophobicContact CG-CD1 4.42Å; R836-L840 WeakPolarHBondContact O-CG 3.45Å; R836-L840 PolarHBondContact O-N 3.31Å; R836-L840 VanDerWaalsContact O-N 3.13Å; R837-L840 PolarHBondContact O-N 2.9Å; R837-L840 VanDerWaalsContact O-N 3.11Å; R838-L840 VanDerWaalsContact C-N 3.35Å; R838-L840 PolarHBondContact O-N 3.48Å; L840-N843 PolarHBondContact O-N 3.44Å; L840-N844 PolarHBondContact O-N 2.9Å; L840-N844 VanDerWaalsContact O-N 3.13Å; L840-M845 HydrophobicContact CD2-CB 3.73Å; L840-M845 PolarHBondContact O-N 2.85Å; L840-H847 HydrophobicContact CD1-CB 4.23Å
841	E	91.3	Very high	93.2	Very high	126 Å²	126	76.5 Å²	76.5	59%	0.589	37%	0.373	S	S	*	.	H	α-helix	trans	-61.9	-44.5	177	-71.3	170.2	-176.2	0	0	111.8	R837 R838 N843 N844	R837-E841 WeakPolarHBondContact CD-OE1 3.41Å; R837-E841 HydrophobicContact CG-CG 4.28Å; R837-E841 VanDerWaalsContact CG-OE1 3.29Å; R837-E841 WeakPolarHBondContact CG-OE1 3.12Å; R837-E841 WeakPolarHBondContact O-CG 3.38Å; R837-E841 PolarHBondContact O-N 2.79Å; R838-E841 PolarHBondContact O-N 3.3Å; E841-N843 VanDerWaalsContact C-N 3.32Å; E841-N843 PolarHBondContact O-N 3.01Å; E841-N844 PolarHBondContact O-N 3.42Å; E841-N844 VanDerWaalsContact O-N 3.17Å
842	E	95	Very high	93.5	Very high	127 Å²	127	73.3 Å²	73.3	59%	0.593	36%	0.358	S	S	*	.	H	α-helix	trans	-63.6	-33.2	177.5	-75.3	167.4	174.4	0	0	112.8	R838	R838-E842 WeakPolarHBondContact CD-OE1 3.44Å; R838-E842 HydrophobicContact CG-CG 4.27Å; R838-E842 VanDerWaalsContact CG-OE1 3.29Å; R838-E842 WeakPolarHBondContact CG-OE1 3.2Å; R838-E842 WeakPolarHBondContact O-CB 3.5Å; R838-E842 VanDerWaalsContact O-CG 3.25Å; R838-E842 WeakPolarHBondContact O-CG 3.43Å; R838-E842 PolarHBondContact O-N 3.49Å
843	N	94.9	Very high	93.5	Very high	102 Å²	102	76.8 Å²	76.8	55%	0.545	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	4.2	176.7	-71.2	-78.1	0	0	0	113.8	V839 L840 E841 M845	V839-N843 WeakPolarHBondContact O-CB 3.43Å; V839-N843 PolarHBondContact O-N 3.07Å; V839-N843 VanDerWaalsContact O-N 3.15Å; V839-N843 PolarHBondContact O-ND2 3.02Å; L840-N843 PolarHBondContact O-N 3.44Å; E841-N843 VanDerWaalsContact C-N 3.32Å; E841-N843 PolarHBondContact O-N 3.01Å; N843-M845 HydrophobicContact CB-CG 4.01Å; N843-M845 HydrophobicContact CB-SD 4.2Å; N843-M845 PolarHBondContact O-N 3.18Å
844	N	93.4	Very high	93.4	Very high	155 Å²	155	80.5 Å²	80.5	83%	0.829	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	28.3	-173	-60.3	-90.3	0	0	0	114.1	L840 E841	L840-N844 PolarHBondContact O-N 2.9Å; L840-N844 VanDerWaalsContact O-N 3.13Å; E841-N844 PolarHBondContact O-N 3.42Å; E841-N844 VanDerWaalsContact O-N 3.17Å
845	M	91.3	Very high	93.4	Very high	122 Å²	122	77.7 Å²	77.7	60%	0.601	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-95.6	143.5	179.3	-66.6	-177.1	73.6	0	0	111.4	L840 N843	L840-M845 HydrophobicContact CD2-CB 3.73Å; L840-M845 PolarHBondContact O-N 2.85Å; N843-M845 HydrophobicContact CB-CG 4.01Å; N843-M845 HydrophobicContact CB-SD 4.2Å; N843-M845 PolarHBondContact O-N 3.18Å
846	S	86.5	Confident	93	Very high	80 Å²	80	85.7 Å²	85.7	56%	0.559	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-97.8	147.8	167.6	52.1	0	0	0	0	110.4	Q848	S846-Q848 PolarHBondContact O-N 3.02Å; S846-Q848 PolarHBondContact OG-NE2 3.4Å
847	H	89.8	Confident	92.6	Very high	45 Å²	45	91.3 Å²	91.3	21%	0.208	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-71.3	125.4	166.7	171.8	53.3	0	0	0	109.3	L606 R836 L840	L606-H847 HydrophobicContact CD2-CB 3.89Å; L606-H847 HydrophobicContact CG-CB 4.33Å; L606-H847 VanDerWaalsContact CG-CD2 3.41Å; L606-H847 WeakPolarHBondContact CG-CD2 3.47Å; R836-H847 PolarHBondContact NH2-ND1 2.77Å; L840-H847 HydrophobicContact CD1-CB 4.23Å
848	Q	92.8	Very high	92.3	Very high	138 Å²	138	94 Å²	94	65%	0.645	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-94.1	119.7	166	-58.5	-57.3	-42.1	0	0	108.4	S846	S846-Q848 PolarHBondContact O-N 3.02Å; S846-Q848 PolarHBondContact OG-NE2 3.4Å
849	P	95.9	Very high	92.3	Very high	16 Å²	16	90 Å²	90	10%	0.104	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-61.8	150.6	168.9	-23.5	37	0	0	0	111.1	E624 V626 W860	E624-P849 WeakPolarHBondContact OE1-CA 3.4Å; V626-P849 HydrophobicContact CB-CB 4.21Å; V626-P849 HydrophobicContact CB-CG 3.79Å; V626-P849 HydrophobicContact CG1-CB 3.92Å; V626-P849 HydrophobicContact CG1-CG 4.05Å; V626-P849 WeakPolarHBondContact O-CG 3.38Å; P849-W860 HydrophobicContact CB-CZ3 4.27Å; P849-W860 HydrophobicContact CG-CE3 4.46Å; P849-W860 HydrophobicContact CG-CH2 3.75Å; P849-W860 HydrophobicContact CG-CZ3 3.63Å
850	K	95.7	Very high	92.4	Very high	53 Å²	53	87.8 Å²	87.8	23%	0.23	43%	0.43	C	S	.	.	S	Bend	trans	-93	-29.8	-165.9	-169.3	169.9	177.8	176.7	0	113.2	E624 N863 E879 F880	E624-K850 PolarHBondContact OE1-N 3.32Å; E624-K850 PolarHBondContact OE2-N 3.14Å; E624-K850 VanDerWaalsContact OE2-N 3.13Å; K850-N863 PolarHBondContact O-ND2 3.4Å; K850-E879 PolarHBondContact NZ-O 3.45Å; K850-F880 HydrophobicContact CD-CD1 4.03Å; K850-F880 HydrophobicContact CD-CE1 3.81Å; K850-F880 HydrophobicContact CD-CZ 4.41Å; K850-F880 VanDerWaalsContact NZ-CD1 3.33Å
851	F	97.3	Very high	92.6	Very high	3 Å²	3	87.7 Å²	87.7	1%	0.013	43%	0.431	C	S	.	.	S	Bend	trans	-121	-11.5	-172.7	-54.3	-67.5	0	0	0	113.5	T609 E624 N863 Y866 L869 F875 F880	T609-F851 HydrophobicContact CG2-CD2 3.98Å; T609-F851 HydrophobicContact CG2-CE2 4.03Å; E624-F851 PolarHBondContact OE2-N 3.17Å; F851-N863 WeakPolarHBondContact CA-ND2 3.19Å; F851-N863 PolarHBondContact O-N 2.6Å; F851-N863 PolarHBondContact O-OD1 3.26Å; F851-N863 VanDerWaalsContact O-OD1 3.1Å; F851-Y866 HydrophobicContact CB-CD2 4.35Å; F851-Y866 AromaticContact CD1-CD2 3.6Å; F851-Y866 HydrophobicContact CD1-CD2 3.6Å; F851-Y866 HydrophobicContact CD1-CG 4.23Å; F851-Y866 AromaticContact CD2-CD2 3.68Å; F851-Y866 HydrophobicContact CD2-CD2 3.68Å; F851-Y866 HydrophobicContact CD2-CE2 4.12Å; F851-Y866 AromaticContact CE1-CD2 3.64Å; F851-Y866 HydrophobicContact CE1-CD2 3.64Å; F851-Y866 HydrophobicContact CE1-CE2 4.42Å; F851-Y866 HydrophobicContact CE1-CG 4.43Å; F851-Y866 AromaticContact CE2-CD2 3.72Å; F851-Y866 HydrophobicContact CE2-CD2 3.72Å; F851-Y866 AromaticContact CE2-CE2 3.88Å; F851-Y866 HydrophobicContact CE2-CE2 3.88Å; F851-Y866 AromaticContact CG-CD2 3.6Å; F851-Y866 HydrophobicContact CG-CD2 3.6Å; F851-Y866 HydrophobicContact CG-CE2 4.47Å; F851-Y866 HydrophobicContact CG-CG 4.42Å; F851-Y866 AromaticContact CZ-CD2 3.69Å; F851-Y866 HydrophobicContact CZ-CD2 3.69Å; F851-Y866 HydrophobicContact CZ-CE2 4.02Å; F851-L869 HydrophobicContact CE1-CD1 4.14Å; F851-F875 HydrophobicContact CE1-CE1 4Å; F851-F875 AromaticContact CZ-CE1 3.9Å; F851-F875 HydrophobicContact CZ-CE1 3.9Å; F851-F880 HydrophobicContact CE2-CE1 4.09Å; F851-F880 AromaticContact CZ-CE1 3.89Å; F851-F880 HydrophobicContact CZ-CE1 3.89Å; F851-F880 HydrophobicContact CZ-CZ 4.18Å
852	F	98	Very high	92.9	Very high	6 Å²	6	82.2 Å²	82.2	3%	0.026	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.6	176.3	-68.7	-99.6	0	0	0	111.3	V622 E624 V626 A634 H636 W860 V861	V622-F852 HydrophobicContact CG1-CZ 4.45Å; E624-F852 HydrophobicContact CB-CD2 3.54Å; E624-F852 HydrophobicContact CB-CE2 3.83Å; E624-F852 PolarHBondContact OE2-N 2.79Å; V626-F852 HydrophobicContact CG1-CB 3.64Å; V626-F852 HydrophobicContact CG1-CD2 4.47Å; V626-F852 HydrophobicContact CG1-CG 4.15Å; A634-F852 HydrophobicContact CB-CB 4.41Å; A634-F852 HydrophobicContact CB-CD1 3.52Å; A634-F852 HydrophobicContact CB-CD2 4.42Å; A634-F852 HydrophobicContact CB-CE1 3.83Å; A634-F852 HydrophobicContact CB-CG 3.86Å; A634-F852 HydrophobicContact CB-CZ 4.42Å; H636-F852 HydrophobicContact CB-CE1 3.92Å; H636-F852 HydrophobicContact CB-CZ 3.99Å; F852-W860 HydrophobicContact CB-CE3 4.18Å; F852-V861 CarbonylContact C-O 3.58Å; F852-V861 VanDerWaalsContact CA-O 3.32Å; F852-V861 WeakPolarHBondContact CA-O 3.37Å
853	R	96.4	Very high	93	Very high	143 Å²	143	78.7 Å²	78.7	54%	0.54	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.4	177.1	63.3	-175.8	179	92.1	-0.9	110	W860 V861	R853-W860 VanDerWaalsContact C-CE3 3.5Å; R853-V861 HydrophobicContact CG-CG2 3.93Å; R853-V861 PolarHBondContact N-O 3.3Å; R853-V861 PolarHBondContact O-N 3.29Å
854	K	94.1	Very high	93	Very high	95 Å²	95	78.2 Å²	78.2	41%	0.413	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	141.1	172.4	-121.8	-178.8	-175.4	-164.8	0	111.1	D858 A859 W860	K854-D858 VanDerWaalsContact CE-CG 3.46Å; K854-D858 WeakPolarHBondContact CE-O 3.38Å; K854-D858 VanDerWaalsContact CE-OD1 3.31Å; K854-D858 WeakPolarHBondContact CE-OD1 3.31Å; K854-D858 WeakPolarHBondContact CE-OD2 3.2Å; K854-D858 IonicContact NZ-OD1 3.28Å; K854-D858 PolarHBondContact NZ-OD1 3.08Å; K854-D858 IonicContact NZ-OD2 3.97Å; K854-D858 PolarHBondContact NZ-OD2 3.08Å; K854-A859 CarbonylContact C-O 3.56Å; K854-A859 WeakPolarHBondContact CA-O 3.44Å; K854-W860 HydrophobicContact CD-CZ2 4.38Å; K854-W860 HydrophobicContact CG-CD2 4.23Å; K854-W860 HydrophobicContact CG-CZ2 4.18Å
855	S	92	Very high	93.1	Very high	34 Å²	34	72.8 Å²	72.8	24%	0.238	36%	0.362	C	S	.	.			trans	-86.8	175.4	171.9	84.7	0	0	0	0	111	E857 D858 A859	S855-E857 PolarHBondContact O-N 3.24Å; S855-E857 PolarHBondContact OG-N 3.34Å; S855-D858 PolarHBondContact O-N 3.24Å; S855-A859 PolarHBondContact N-O 3.42Å; S855-A859 PolarHBondContact OG-O 2.97Å
856	K	85.6	Confident	93.3	Very high	221 Å²	221	67.1 Å²	67.1	96%	0.961	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.9	171.4	-65.9	-172.8	177.3	-175.2	0	113.2
857	E	84.7	Confident	93.7	Very high	172 Å²	172	64.7 Å²	64.7	80%	0.804	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	17.9	-176.8	-59.5	179.8	173.4	0	0	112.3	S855 A859	S855-E857 PolarHBondContact O-N 3.24Å; S855-E857 PolarHBondContact OG-N 3.34Å; E857-A859 PolarHBondContact O-N 3.49Å
858	D	86.3	Confident	93.8	Very high	109 Å²	109	67.9 Å²	67.9	58%	0.583	33%	0.327	S	S	*	.	S	Bend	trans	66.5	-3.8	-178.8	-138.1	61.4	0	0	0	116.2	K854 S855	K854-D858 VanDerWaalsContact CE-CG 3.46Å; K854-D858 WeakPolarHBondContact CE-O 3.38Å; K854-D858 VanDerWaalsContact CE-OD1 3.31Å; K854-D858 WeakPolarHBondContact CE-OD1 3.31Å; K854-D858 WeakPolarHBondContact CE-OD2 3.2Å; K854-D858 IonicContact NZ-OD1 3.28Å; K854-D858 PolarHBondContact NZ-OD1 3.08Å; K854-D858 IonicContact NZ-OD2 3.97Å; K854-D858 PolarHBondContact NZ-OD2 3.08Å; S855-D858 PolarHBondContact O-N 3.24Å
859	A	91.5	Very high	93.8	Very high	29 Å²	29	64.5 Å²	64.5	24%	0.24	31%	0.313	C	S	.	.			trans	-74.2	159.5	173	0	0	0	0	0	112.7	D647 K854 S855 E857	D647-A859 VanDerWaalsContact OD1-CA 3.27Å; D647-A859 WeakPolarHBondContact OD1-CA 3.46Å; D647-A859 WeakPolarHBondContact OD1-CB 3.06Å; K854-A859 CarbonylContact C-O 3.56Å; K854-A859 WeakPolarHBondContact CA-O 3.44Å; S855-A859 PolarHBondContact N-O 3.42Å; S855-A859 PolarHBondContact OG-O 2.97Å; E857-A859 PolarHBondContact O-N 3.49Å
860	W	96.3	Very high	93.6	Very high	33 Å²	33	65.7 Å²	65.7	13%	0.125	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.1	175.1	-65.3	84.7	0	0	0	112.1	V626 A634 D647 P849 F852 R853 K854	V626-W860 HydrophobicContact CB-CD2 3.83Å; V626-W860 HydrophobicContact CB-CE3 3.97Å; V626-W860 HydrophobicContact CB-CG 4.3Å; V626-W860 HydrophobicContact CB-CH2 4.43Å; V626-W860 HydrophobicContact CB-CZ2 4.29Å; V626-W860 HydrophobicContact CB-CZ3 4.28Å; V626-W860 HydrophobicContact CG1-CD2 4.1Å; V626-W860 HydrophobicContact CG1-CE3 3.95Å; V626-W860 HydrophobicContact CG1-CG 4.42Å; V626-W860 HydrophobicContact CG1-CZ3 4.47Å; V626-W860 HydrophobicContact CG2-CB 4.47Å; V626-W860 HydrophobicContact CG2-CD2 3.76Å; V626-W860 HydrophobicContact CG2-CE3 4.41Å; V626-W860 HydrophobicContact CG2-CG 3.76Å; V626-W860 HydrophobicContact CG2-CZ2 4.47Å; A634-W860 HydrophobicContact CB-CB 3.8Å; D647-W860 HydrophobicContact CB-CB 3.88Å; D647-W860 HydrophobicContact CB-CG 4.42Å; D647-W860 PolarHBondContact OD1-N 3.42Å; P849-W860 HydrophobicContact CB-CZ3 4.27Å; P849-W860 HydrophobicContact CG-CE3 4.46Å; P849-W860 HydrophobicContact CG-CH2 3.75Å; P849-W860 HydrophobicContact CG-CZ3 3.63Å; F852-W860 HydrophobicContact CB-CE3 4.18Å; R853-W860 VanDerWaalsContact C-CE3 3.5Å; K854-W860 HydrophobicContact CD-CZ2 4.38Å; K854-W860 HydrophobicContact CG-CD2 4.23Å; K854-W860 HydrophobicContact CG-CZ2 4.18Å
861	V	97	Very high	93.3	Very high	32 Å²	32	70.6 Å²	70.6	19%	0.194	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.2	-179.8	-63.7	0	0	0	0	110.8	F852 R853	F852-V861 CarbonylContact C-O 3.58Å; F852-V861 VanDerWaalsContact CA-O 3.32Å; F852-V861 WeakPolarHBondContact CA-O 3.37Å; R853-V861 HydrophobicContact CG-CG2 3.93Å; R853-V861 PolarHBondContact N-O 3.3Å; R853-V861 PolarHBondContact O-N 3.29Å
862	S	97.4	Very high	92	Very high	12 Å²	12	78 Å²	78	8%	0.084	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	143.7	173.6	177.9	0	0	0	0	111.7	N864	S862-N864 VanDerWaalsContact C-N 3.32Å; S862-N864 VanDerWaalsContact CB-OD1 3.28Å; S862-N864 WeakPolarHBondContact CB-OD1 3.21Å; S862-N864 WeakPolarHBondContact OG-CA 3.09Å; S862-N864 PolarHBondContact OG-N 3.34Å; S862-N864 PolarHBondContact OG-OD1 2.85Å
863	N	96.6	Very high	90.5	Very high	53 Å²	53	80.4 Å²	80.4	28%	0.283	39%	0.389	S	S	.	.			trans	-91.6	2.3	163.7	72.6	14.8	0	0	0	112.7	K850 F851 T865	K850-N863 PolarHBondContact O-ND2 3.4Å; F851-N863 WeakPolarHBondContact CA-ND2 3.19Å; F851-N863 PolarHBondContact O-N 2.6Å; F851-N863 PolarHBondContact O-OD1 3.26Å; F851-N863 VanDerWaalsContact O-OD1 3.1Å; N863-T865 PolarHBondContact O-N 2.85Å; N863-T865 VanDerWaalsContact O-N 3.12Å; N863-T865 WeakPolarHBondContact OD1-CB 3.33Å; N863-T865 WeakPolarHBondContact OD1-CG2 3.35Å; N863-T865 PolarHBondContact OD1-N 3.34Å; N863-T865 PolarHBondContact OD1-OG1 3.06Å
864	N	95.2	Very high	89.4	Confident	92 Å²	92	74.1 Å²	74.1	49%	0.492	37%	0.368	S	S	.	.	S	Bend	trans	62.8	2.7	179.6	-62.3	-5.2	0	0	0	116.1	S862	S862-N864 VanDerWaalsContact C-N 3.32Å; S862-N864 VanDerWaalsContact CB-OD1 3.28Å; S862-N864 WeakPolarHBondContact CB-OD1 3.21Å; S862-N864 WeakPolarHBondContact OG-CA 3.09Å; S862-N864 PolarHBondContact OG-N 3.34Å; S862-N864 PolarHBondContact OG-OD1 2.85Å
865	T	94.8	Very high	89.1	Confident	41 Å²	41	70 Å²	70	25%	0.252	35%	0.35	S	S	.	.			trans	-77.2	-21.8	-177.3	66.3	0	0	0	0	114.4	N863 W867 E868 L869	N863-T865 PolarHBondContact O-N 2.85Å; N863-T865 VanDerWaalsContact O-N 3.12Å; N863-T865 WeakPolarHBondContact OD1-CB 3.33Å; N863-T865 WeakPolarHBondContact OD1-CG2 3.35Å; N863-T865 PolarHBondContact OD1-N 3.34Å; N863-T865 PolarHBondContact OD1-OG1 3.06Å; T865-W867 PolarHBondContact O-N 2.85Å; T865-E868 WeakPolarHBondContact O-CB 3.32Å; T865-E868 PolarHBondContact O-N 2.97Å; T865-L869 WeakPolarHBondContact O-CB 3.36Å; T865-L869 VanDerWaalsContact O-CG 3.25Å; T865-L869 WeakPolarHBondContact O-CG 3.32Å; T865-L869 PolarHBondContact O-N 3.47Å
866	Y	96.3	Very high	88.6	Confident	3 Å²	3	72.2 Å²	72.2	1%	0.012	37%	0.366	C	S	.	.	H	α-helix	trans	-56.1	-55.4	-168.7	-172.9	-92	0	0	0	113.5	E611 V622 P801 F851 E868 L869 R870 F875	E611-Y866 HydrophobicContact CB-CE1 3.88Å; E611-Y866 WeakPolarHBondContact CB-OH 3.31Å; E611-Y866 WeakPolarHBondContact OE2-CE1 3.39Å; E611-Y866 PolarHBondContact OE2-OH 3.28Å; E611-Y866 VanDerWaalsContact OE2-OH 3.1Å; V622-Y866 HydrophobicContact CB-CD1 4.02Å; V622-Y866 HydrophobicContact CB-CE1 4.37Å; V622-Y866 HydrophobicContact CB-CG 4.22Å; V622-Y866 HydrophobicContact CG2-CD1 3.65Å; V622-Y866 HydrophobicContact CG2-CD2 3.56Å; V622-Y866 HydrophobicContact CG2-CE1 3.93Å; V622-Y866 HydrophobicContact CG2-CE2 3.85Å; V622-Y866 HydrophobicContact CG2-CG 3.46Å; V622-Y866 VanDerWaalsContact CG2-CG 3.46Å; P801-Y866 WeakPolarHBondContact CD-OH 3.29Å; P801-Y866 HydrophobicContact CG-CE2 4.22Å; F851-Y866 HydrophobicContact CB-CD2 4.35Å; F851-Y866 AromaticContact CD1-CD2 3.6Å; F851-Y866 HydrophobicContact CD1-CD2 3.6Å; F851-Y866 HydrophobicContact CD1-CG 4.23Å; F851-Y866 AromaticContact CD2-CD2 3.68Å; F851-Y866 HydrophobicContact CD2-CD2 3.68Å; F851-Y866 HydrophobicContact CD2-CE2 4.12Å; F851-Y866 AromaticContact CE1-CD2 3.64Å; F851-Y866 HydrophobicContact CE1-CD2 3.64Å; F851-Y866 HydrophobicContact CE1-CE2 4.42Å; F851-Y866 HydrophobicContact CE1-CG 4.43Å; F851-Y866 AromaticContact CE2-CD2 3.72Å; F851-Y866 HydrophobicContact CE2-CD2 3.72Å; F851-Y866 AromaticContact CE2-CE2 3.88Å; F851-Y866 HydrophobicContact CE2-CE2 3.88Å; F851-Y866 AromaticContact CG-CD2 3.6Å; F851-Y866 HydrophobicContact CG-CD2 3.6Å; F851-Y866 HydrophobicContact CG-CE2 4.47Å; F851-Y866 HydrophobicContact CG-CG 4.42Å; F851-Y866 AromaticContact CZ-CD2 3.69Å; F851-Y866 HydrophobicContact CZ-CD2 3.69Å; F851-Y866 HydrophobicContact CZ-CE2 4.02Å; Y866-E868 PolarHBondContact O-N 3.37Å; Y866-L869 PolarHBondContact O-N 3.13Å; Y866-R870 WeakPolarHBondContact O-CB 3.29Å; Y866-R870 PolarHBondContact O-N 2.92Å; Y866-F875 HydrophobicContact CD1-CZ 4.22Å; Y866-F875 HydrophobicContact CD2-CE1 4.32Å; Y866-F875 AromaticContact CD2-CZ 3.85Å; Y866-F875 HydrophobicContact CD2-CZ 3.85Å; Y866-F875 HydrophobicContact CE1-CE2 4.43Å; Y866-F875 AromaticContact CE1-CZ 3.98Å; Y866-F875 HydrophobicContact CE1-CZ 3.98Å; Y866-F875 HydrophobicContact CE2-CE1 4.36Å; Y866-F875 HydrophobicContact CE2-CE2 4.33Å; Y866-F875 AromaticContact CE2-CZ 3.62Å; Y866-F875 HydrophobicContact CE2-CZ 3.62Å; Y866-F875 HydrophobicContact CG-CZ 4.16Å; Y866-F875 AromaticContact CZ-CZ 3.69Å
867	W	94.8	Very high	88.4	Confident	29 Å²	29	69.5 Å²	69.5	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-67.1	-25.2	179.9	-62.6	120.4	0	0	0	112.7	E611 R620 F621 V622 T865 R870 R871	E611-W867 HydrophobicContact CB-CH2 4.01Å; R620-W867 HydrophobicContact CB-CD2 4.43Å; R620-W867 HydrophobicContact CB-CH2 3.81Å; R620-W867 HydrophobicContact CB-CZ2 3.37Å; R620-W867 HydrophobicContact CB-CZ3 4.47Å; R620-W867 HydrophobicContact CG-CZ2 4.47Å; F621-W867 WeakPolarHBondContact O-CZ2 3.37Å; V622-W867 HydrophobicContact CB-CZ2 4.26Å; T865-W867 PolarHBondContact O-N 2.85Å; W867-R870 VanDerWaalsContact CZ3-CD 3.45Å; W867-R871 PolarHBondContact O-N 3.49Å
868	E	92.1	Very high	88.6	Confident	111 Å²	111	63.8 Å²	63.8	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-73	-43.9	176.1	-53.4	-152.6	103.3	0	0	111.9	T865 Y866 R870 R871	T865-E868 WeakPolarHBondContact O-CB 3.32Å; T865-E868 PolarHBondContact O-N 2.97Å; Y866-E868 PolarHBondContact O-N 3.37Å; E868-R870 VanDerWaalsContact C-N 3.33Å; E868-R871 WeakPolarHBondContact O-CB 3.35Å; E868-R871 PolarHBondContact O-N 2.88Å; E868-R871 IonicContact OE1-NH2 3.9Å; E868-R871 PolarHBondContact OE1-NH2 3.25Å
869	L	92.1	Very high	88.7	Confident	68 Å²	68	67.5 Å²	67.5	36%	0.356	35%	0.345	S	S	.	.	H	α-helix	trans	-76.8	-18.2	179.5	-64.9	176.2	0	0	0	113.2	F851 T865 Y866 F875 I878	F851-L869 HydrophobicContact CE1-CD1 4.14Å; T865-L869 WeakPolarHBondContact O-CB 3.36Å; T865-L869 VanDerWaalsContact O-CG 3.25Å; T865-L869 WeakPolarHBondContact O-CG 3.32Å; T865-L869 PolarHBondContact O-N 3.47Å; Y866-L869 PolarHBondContact O-N 3.13Å; L869-F875 HydrophobicContact CB-CD1 3.95Å; L869-F875 HydrophobicContact CB-CE1 3.71Å; L869-F875 WeakPolarHBondContact O-CD1 3.19Å; L869-F875 PolarHBondContact O-N 3.33Å; L869-F875 VanDerWaalsContact O-N 3.14Å; L869-I878 HydrophobicContact CB-CD1 3.73Å; L869-I878 HydrophobicContact CD1-CD1 3.85Å; L869-I878 HydrophobicContact CD2-CD1 3.71Å; L869-I878 HydrophobicContact CG-CD1 3.94Å
870	R	91.9	Very high	88.7	Confident	40 Å²	40	67.8 Å²	67.8	15%	0.151	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-22.1	169	-167.9	-173.1	-173.1	-84.4	10.9	113.1	E611 Y866 W867 E868 F875	E611-R870 VanDerWaalsContact CD-NE 3.32Å; E611-R870 IonicContact OE1-CZ 2.75Å; E611-R870 IonicContact OE1-NE 3.51Å; E611-R870 PolarHBondContact OE1-NE 3.42Å; E611-R870 VanDerWaalsContact OE1-NE 3.16Å; E611-R870 IonicContact OE1-NH2 2.79Å; E611-R870 PolarHBondContact OE1-NH2 2.71Å; E611-R870 VanDerWaalsContact OE2-CD 3.27Å; E611-R870 WeakPolarHBondContact OE2-CD 3.14Å; E611-R870 IonicContact OE2-CZ 3.59Å; E611-R870 IonicContact OE2-NE 3.6Å; E611-R870 PolarHBondContact OE2-NE 3.33Å; E611-R870 IonicContact OE2-NH2 3.53Å; Y866-R870 WeakPolarHBondContact O-CB 3.29Å; Y866-R870 PolarHBondContact O-N 2.92Å; W867-R870 VanDerWaalsContact CZ3-CD 3.45Å; E868-R870 VanDerWaalsContact C-N 3.33Å; R870-F875 HydrophobicContact CB-CD2 4.37Å; R870-F875 HydrophobicContact CB-CE1 4.38Å; R870-F875 HydrophobicContact CB-CE2 3.59Å; R870-F875 HydrophobicContact CB-CZ 3.6Å; R870-F875 HydrophobicContact CG-CD2 4.34Å; R870-F875 HydrophobicContact CG-CE2 3.64Å; R870-F875 HydrophobicContact CG-CZ 4.15Å
871	R	88.1	Confident	88.3	Confident	157 Å²	157	68.5 Å²	68.5	59%	0.592	35%	0.35	S	S	*	.	S	Bend	trans	-61.7	163.9	172.2	-70.1	-179.2	-66.4	-154.9	-5	109.8	W867 E868 G874	W867-R871 PolarHBondContact O-N 3.49Å; E868-R871 WeakPolarHBondContact O-CB 3.35Å; E868-R871 PolarHBondContact O-N 2.88Å; E868-R871 IonicContact OE1-NH2 3.9Å; E868-R871 PolarHBondContact OE1-NH2 3.25Å; R871-G874 PolarHBondContact O-N 3.23Å
872	D	71.1	Confident	88.1	Confident	157 Å²	157	72.8 Å²	72.8	84%	0.84	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.9	121.2	-176.4	-174	25.9	0	0	0	112.6
873	P	66.8	Low	88	Confident	58 Å²	58	72.6 Å²	72.6	38%	0.377	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	cis	-107.3	57.1	11.3	35.5	-22.5	0	0	0	114	S876 H877	P873-S876 WeakPolarHBondContact CG-OG 3.37Å; P873-S876 VanDerWaalsContact O-CB 3.3Å; P873-S876 WeakPolarHBondContact O-CB 3.3Å; P873-S876 PolarHBondContact O-N 3.08Å; P873-S876 PolarHBondContact O-OG 3.02Å; P873-H877 WeakPolarHBondContact CG-NE2 2.93Å
874	G	72.1	Confident	87.9	Confident	11 Å²	11	72.4 Å²	72.4	11%	0.113	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	61.4	160.6	0	0	0	0	0	114.3	R871 S876	R871-G874 PolarHBondContact O-N 3.23Å; G874-S876 PolarHBondContact O-N 3.43Å
875	F	89	Confident	87.5	Confident	7 Å²	7	71.4 Å²	71.4	3%	0.031	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	-4.7	-178.3	-61.3	-68.7	0	0	0	117.4	L799 P801 F851 Y866 L869 R870 H877 I878 F880	L799-F875 WeakPolarHBondContact O-CD2 3.37Å; P801-F875 HydrophobicContact CB-CD2 3.9Å; P801-F875 HydrophobicContact CB-CE2 4.14Å; P801-F875 HydrophobicContact CB-CG 4.17Å; P801-F875 HydrophobicContact CG-CD2 4.31Å; P801-F875 HydrophobicContact CG-CE2 4.08Å; F851-F875 HydrophobicContact CE1-CE1 4Å; F851-F875 AromaticContact CZ-CE1 3.9Å; F851-F875 HydrophobicContact CZ-CE1 3.9Å; Y866-F875 HydrophobicContact CD1-CZ 4.22Å; Y866-F875 HydrophobicContact CD2-CE1 4.32Å; Y866-F875 AromaticContact CD2-CZ 3.85Å; Y866-F875 HydrophobicContact CD2-CZ 3.85Å; Y866-F875 HydrophobicContact CE1-CE2 4.43Å; Y866-F875 AromaticContact CE1-CZ 3.98Å; Y866-F875 HydrophobicContact CE1-CZ 3.98Å; Y866-F875 HydrophobicContact CE2-CE1 4.36Å; Y866-F875 HydrophobicContact CE2-CE2 4.33Å; Y866-F875 AromaticContact CE2-CZ 3.62Å; Y866-F875 HydrophobicContact CE2-CZ 3.62Å; Y866-F875 HydrophobicContact CG-CZ 4.16Å; Y866-F875 AromaticContact CZ-CZ 3.69Å; L869-F875 HydrophobicContact CB-CD1 3.95Å; L869-F875 HydrophobicContact CB-CE1 3.71Å; L869-F875 WeakPolarHBondContact O-CD1 3.19Å; L869-F875 PolarHBondContact O-N 3.33Å; L869-F875 VanDerWaalsContact O-N 3.14Å; R870-F875 HydrophobicContact CB-CD2 4.37Å; R870-F875 HydrophobicContact CB-CE1 4.38Å; R870-F875 HydrophobicContact CB-CE2 3.59Å; R870-F875 HydrophobicContact CB-CZ 3.6Å; R870-F875 HydrophobicContact CG-CD2 4.34Å; R870-F875 HydrophobicContact CG-CE2 3.64Å; R870-F875 HydrophobicContact CG-CZ 4.15Å; F875-H877 PolarHBondContact O-N 3.42Å; F875-H877 VanDerWaalsContact O-N 3.08Å; F875-I878 HydrophobicContact CD1-CD1 4.12Å; F875-I878 PolarHBondContact O-N 3.1Å; F875-F880 HydrophobicContact CB-CE2 3.88Å; F875-F880 HydrophobicContact CB-CZ 3.98Å; F875-F880 HydrophobicContact CD1-CE2 4.43Å; F875-F880 AromaticContact CD1-CZ 3.78Å; F875-F880 HydrophobicContact CD1-CZ 3.78Å; F875-F880 HydrophobicContact CE1-CZ 4.47Å; F875-F880 HydrophobicContact CG-CE2 4.41Å; F875-F880 HydrophobicContact CG-CZ 4Å
876	S	80.8	Confident	87.2	Confident	82 Å²	82	73 Å²	73	57%	0.573	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.4	-171.1	63.5	0	0	0	0	115.9	P873 G874	P873-S876 WeakPolarHBondContact CG-OG 3.37Å; P873-S876 VanDerWaalsContact O-CB 3.3Å; P873-S876 WeakPolarHBondContact O-CB 3.3Å; P873-S876 PolarHBondContact O-N 3.08Å; P873-S876 PolarHBondContact O-OG 3.02Å; G874-S876 PolarHBondContact O-N 3.43Å
877	H	82.1	Confident	86.7	Confident	163 Å²	163	76.9 Å²	76.9	76%	0.755	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	10.4	175	-66.3	-27.2	0	0	0	114.3	P873 F875	P873-H877 WeakPolarHBondContact CG-NE2 2.93Å; F875-H877 PolarHBondContact O-N 3.42Å; F875-H877 VanDerWaalsContact O-N 3.08Å
878	I	87.9	Confident	86.2	Confident	53 Å²	53	79.7 Å²	79.7	27%	0.272	41%	0.405	S	S	.	.	S	Bend	trans	-127.8	128.2	-173.2	-31.6	-179.2	0	0	0	110.8	L869 F875 F880	L869-I878 HydrophobicContact CB-CD1 3.73Å; L869-I878 HydrophobicContact CD1-CD1 3.85Å; L869-I878 HydrophobicContact CD2-CD1 3.71Å; L869-I878 HydrophobicContact CG-CD1 3.94Å; F875-I878 HydrophobicContact CD1-CD1 4.12Å; F875-I878 PolarHBondContact O-N 3.1Å; I878-F880 HydrophobicContact CB-CE2 4.1Å; I878-F880 WeakPolarHBondContact O-CD2 3.47Å; I878-F880 WeakPolarHBondContact O-CE2 3.27Å
879	E	88.8	Confident	85.8	Confident	186 Å²	186	77.8 Å²	77.8	87%	0.869	40%	0.398	S	S	*	.			trans	-68.1	142.1	175.2	-61.4	-173.5	164.9	0	0	111.7	K850	K850-E879 PolarHBondContact NZ-O 3.45Å
880	F	91.6	Very high	85.4	Confident	35 Å²	35	78.4 Å²	78.4	15%	0.154	40%	0.401	C	S	.	.			trans	-129.4	149.7	174.7	-72.7	-98.5	0	0	0	109.9	P801 P802 T803 K850 F851 F875 I878 T882	P801-F880 HydrophobicContact CB-CD1 4.27Å; P801-F880 HydrophobicContact CB-CE1 3.5Å; P801-F880 VanDerWaalsContact CB-CE1 3.5Å; P801-F880 HydrophobicContact CB-CE2 4.33Å; P801-F880 HydrophobicContact CB-CZ 3.53Å; P802-F880 HydrophobicContact CG-CB 3.63Å; P802-F880 HydrophobicContact CG-CD1 4.39Å; P802-F880 HydrophobicContact CG-CD2 3.79Å; P802-F880 HydrophobicContact CG-CG 3.7Å; T803-F880 HydrophobicContact CG2-CB 4.15Å; T803-F880 HydrophobicContact CG2-CD1 3.72Å; T803-F880 HydrophobicContact CG2-CG 4.33Å; K850-F880 HydrophobicContact CD-CD1 4.03Å; K850-F880 HydrophobicContact CD-CE1 3.81Å; K850-F880 HydrophobicContact CD-CZ 4.41Å; K850-F880 VanDerWaalsContact NZ-CD1 3.33Å; F851-F880 HydrophobicContact CE2-CE1 4.09Å; F851-F880 AromaticContact CZ-CE1 3.89Å; F851-F880 HydrophobicContact CZ-CE1 3.89Å; F851-F880 HydrophobicContact CZ-CZ 4.18Å; F875-F880 HydrophobicContact CB-CE2 3.88Å; F875-F880 HydrophobicContact CB-CZ 3.98Å; F875-F880 HydrophobicContact CD1-CE2 4.43Å; F875-F880 AromaticContact CD1-CZ 3.78Å; F875-F880 HydrophobicContact CD1-CZ 3.78Å; F875-F880 HydrophobicContact CE1-CZ 4.47Å; F875-F880 HydrophobicContact CG-CE2 4.41Å; F875-F880 HydrophobicContact CG-CZ 4Å; I878-F880 HydrophobicContact CB-CE2 4.1Å; I878-F880 WeakPolarHBondContact O-CD2 3.47Å; I878-F880 WeakPolarHBondContact O-CE2 3.27Å; F880-T882 PolarHBondContact O-N 2.87Å
881	P	87.4	Confident	84.9	Confident	49 Å²	49	81.1 Å²	81.1	32%	0.318	42%	0.419	S	S	.	.			trans	-66.7	132.1	171.5	29.2	-34.1	0	0	0	110.2	L883	P881-L883 HydrophobicContact CB-CD2 4.31Å; P881-L883 HydrophobicContact CG-CD2 4.12Å; P881-L883 PolarHBondContact O-N 3.22Å
882	T	92.8	Very high	84.7	Confident	121 Å²	121	75.3 Å²	75.3	74%	0.742	41%	0.406	S	S	*	.			trans	-61.6	124	167	-46.6	0	0	0	0	109.5	F880 W884	F880-T882 PolarHBondContact O-N 2.87Å; T882-W884 WeakPolarHBondContact CG2-O 3.28Å
883	L	95.8	Very high	85.8	Confident	9 Å²	9	68.5 Å²	68.5	5%	0.047	37%	0.369	C	S	.	.			trans	-106.6	-22.6	-178.6	-59.8	-172.6	0	0	0	113.5	V605 E608 T803 P881	V605-L883 HydrophobicContact CG2-CB 4.11Å; V605-L883 HydrophobicContact CG2-CD1 3.97Å; V605-L883 HydrophobicContact CG2-CD2 4.19Å; V605-L883 HydrophobicContact CG2-CG 4.31Å; E608-L883 HydrophobicContact CB-CD1 4.12Å; T803-L883 HydrophobicContact CG2-CD1 3.67Å; T803-L883 HydrophobicContact CG2-CG 4.09Å; P881-L883 HydrophobicContact CB-CD2 4.31Å; P881-L883 HydrophobicContact CG-CD2 4.12Å; P881-L883 PolarHBondContact O-N 3.22Å
884	W	95	Very high	87.6	Confident	48 Å²	48	69.5 Å²	69.5	18%	0.182	37%	0.369	C	S	.	.			trans	-153.1	0	-174.8	38.9	75.9	0	0	0	111.4	V605 E608 P802 L807 R808 R828 I829 T882	V605-W884 HydrophobicContact CG2-CZ3 4.44Å; E608-W884 HydrophobicContact CG-CH2 4.24Å; E608-W884 HydrophobicContact CG-CZ3 4.17Å; P802-W884 WeakPolarHBondContact O-CZ2 3.33Å; L807-W884 HydrophobicContact CB-CZ2 4.08Å; R808-W884 HydrophobicContact CB-CE3 4.16Å; R808-W884 HydrophobicContact CB-CH2 3.82Å; R808-W884 HydrophobicContact CB-CZ2 4.28Å; R808-W884 HydrophobicContact CB-CZ3 3.76Å; R808-W884 HydrophobicContact CG-CE3 4.03Å; R808-W884 HydrophobicContact CG-CH2 4.45Å; R808-W884 HydrophobicContact CG-CZ3 3.88Å; R828-W884 PolarHBondContact NH1-OXT 3.47Å; R828-W884 PolarHBondContact NH2-OXT 3.38Å; I829-W884 HydrophobicContact CD1-CB 3.7Å; I829-W884 HydrophobicContact CG1-CB 3.69Å; T882-W884 WeakPolarHBondContact CG2-O 3.28Å

Retrieved 884 of 884 residues in 1152.7 ms (Link to these results)

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