A0A087X2S6_POEFO Loading...

Sodium/potassium-transporting ATPase subunit alpha

This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.

AlphaFold DB , UniProt , Accession A0A087X2S6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,022 aa.

						>A0A087X2S6_POEFO|A0A087X2S6
FQYGRSDSYRVATTQDTDDKETQKKKGGKDMDDLKKEVPITEHKMSVEEVCRKYNTDIVQGLTNAKAAEFLARDGPNALTPPPTTPEWIKFCRQLFGGFSILLWIGAILCFLAYAIQAATEDDPPGDNLYLGIVLSAVVVVTGCFSYFQEAKSSKIMESFKNMVPQQALVIREGEKMQIDAEQVVAGDLVEVKGGDRIPADLRIISSHGCKVDNSSLTGESEPQTRSPECTHDNPLETRNIAFFSTNCVEGTARGIVVCTGDRTVMGRIATLTSGLETGKTPIAREIEHFIHIITGVAVFLGVTFFILSLVLGYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTEDQSGSSFDKSSLTWVSLARVAGLCNRAVFKAGQESLPILKRDVAGDASESALLKCIELSCGSVKSMRDKYKKVAEIPFNSTNKYQLSVHETMEENVSPYLLVMKGAPERILDRCSTIIIQGKEQPMDDEMKEAFQNAYLELGGLGERVLGFCHLFMPQDKYPKGFSFDTDDVNFQIDNLCFVGLMSMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNARDAKACVIHGTDLKDLTQDQIDDILKNHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIGVAMGISGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLFFILVNIPLPLGTITILCIDLGTDMVPAISLAYEAAESDIMKRQPRNPLRDKLVNERLISISYGQIGMIQALGGFFAYFVIMAENGFLPSHLVGIRLNWDDRSNNDLEDSYGQQWTYEQRKIVEFTCHTAFFVSIVVVQWADVIICKTRRNSVFQQGMKNKILIFGLFEETALAAFLSYCPGLDVGLRMYPLKPTWWFCAFPYSFLIFVYDEIRKLIIRRDPGGWVEKETYY
					

Structure Viewer

Loading PAE data...

(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	F	29	Very low	29.7	Very low	249 Å²	249	173.1 Å²	173.1	100%	1.092	84%	0.844	S	S	*	*				0	97.8	0	-61.5	-88.8	0	0	0	106.5
2	Q	29.9	Very low	29.2	Very low	151 Å²	151	166.8 Å²	166.8	71%	0.706	84%	0.841	S	S	*	*				56	127.1	79.3	-77.7	-175.1	-24.1	0	0	111.7
3	Y	33.9	Very low	28.9	Very low	209 Å²	209	163 Å²	163	82%	0.82	83%	0.832	S	S	*	*			cis	-154	173.2	-1.6	-89.4	-72.3	0	0	0	108.3
4	G	30	Very low	28.6	Very low	64 Å²	64	161.8 Å²	161.8	66%	0.66	84%	0.836	S	S	*	*			cis	147.8	113.3	-10.6	0	0	0	0	0	115.7
5	R	32.7	Very low	28.3	Very low	256 Å²	256	162.5 Å²	162.5	97%	0.966	83%	0.834	S	S	*	*			trans	66.4	131.9	172.9	-74.8	-178.8	170.8	167.2	-3.7	120.4
6	S	28.1	Very low	28.6	Very low	119 Å²	119	162.7 Å²	162.7	83%	0.832	84%	0.837	S	S	*	*				179.9	154.9	107.3	59.1	0	0	0	0	113.5
7	D	30.3	Very low	28.4	Very low	157 Å²	157	160.4 Å²	160.4	84%	0.84	83%	0.833	S	S	*	*			trans	-76.3	162.1	-174.3	-48.4	-89.1	0	0	0	116.1
8	S	26.3	Very low	28.7	Very low	127 Å²	127	160.4 Å²	160.4	89%	0.888	83%	0.834	S	S	*	*				-179.6	159.1	124.7	43.3	0	0	0	0	113.6
9	Y	28.8	Very low	28.7	Very low	223 Å²	223	159.5 Å²	159.5	88%	0.875	83%	0.83	S	S	*	*			trans	-99	156.4	-172.2	-102.4	-98.3	0	0	0	113.8
10	R	24.7	Very low	28.7	Very low	223 Å²	223	161.4 Å²	161.4	84%	0.842	83%	0.832	S	S	*	*			trans	84.2	122.3	147.1	-84.9	-169	169.4	164.8	-2.5	122.4
11	V	32.5	Very low	28.7	Very low	126 Å²	126	160.9 Å²	160.9	76%	0.764	83%	0.826	S	S	*	*			trans	67.3	110.8	138.4	-173.6	0	0	0	0	118.3
12	A	24.6	Very low	28.5	Very low	98 Å²	98	155.3 Å²	155.3	81%	0.81	81%	0.813	S	S	*	*			trans	-128.5	125.6	149.7	0	0	0	0	0	109.2
13	T	24.5	Very low	28.4	Very low	117 Å²	117	157.1 Å²	157.1	72%	0.718	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-47.7	135.2	175.2	43.9	0	0	0	0	114.6	Q15	T13-Q15 PolarHBondContact O-N 3.45Å
14	T	25.1	Very low	28.2	Very low	146 Å²	146	156.5 Å²	156.5	90%	0.896	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-71.4	117.5	158.7	45.3	0	0	0	0	109.5
15	Q	24.5	Very low	28.2	Very low	172 Å²	172	162.2 Å²	162.2	80%	0.804	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-99.7	149	163.5	-83.2	-173.9	-54.4	0	0	109.8	T13	T13-Q15 PolarHBondContact O-N 3.45Å
16	D	32.9	Very low	28	Very low	166 Å²	166	157.9 Å²	157.9	89%	0.888	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-62.3	139.6	-175.9	-53.1	-78.3	0	0	0	113.3
17	T	25.3	Very low	28.4	Very low	124 Å²	124	154.9 Å²	154.9	76%	0.761	81%	0.805	S	S	*	*			trans	-125.5	108.9	158.7	47	0	0	0	0	109.2	D19	T17-D19 PolarHBondContact O-N 3.01Å
18	D	33.5	Very low	28.8	Very low	160 Å²	160	149.7 Å²	149.7	86%	0.856	79%	0.789	S	S	*	*			trans	-60.1	93.5	169.8	-97	-40.4	0	0	0	110.9
19	D	28.1	Very low	29.5	Very low	143 Å²	143	150.6 Å²	150.6	77%	0.765	78%	0.777	S	S	*	*			trans	-92.5	101.8	166.3	-95.2	-37.8	0	0	0	110.8	T17 E21	T17-D19 PolarHBondContact O-N 3.01Å; D19-E21 PolarHBondContact O-N 2.79Å
20	K	30.2	Very low	30.9	Very low	198 Å²	198	145.1 Å²	145.1	86%	0.861	76%	0.763	S	S	*	*			trans	-71.1	74	170.1	-74.2	178.4	176.3	170.8	0	110.8	T22	K20-T22 PolarHBondContact O-N 2.81Å
21	E	27.6	Very low	32.9	Very low	151 Å²	151	136.7 Å²	136.7	71%	0.706	73%	0.733	S	S	*	*			trans	-61.5	124.9	168.7	-85	-156.8	142.2	0	0	111.2	D19	D19-E21 PolarHBondContact O-N 2.79Å
22	T	25.3	Very low	34.6	Very low	132 Å²	132	135.4 Å²	135.4	81%	0.81	72%	0.722	S	S	*	*			trans	-46.1	132.3	174.9	26.8	0	0	0	0	114.2	K20 K24	K20-T22 PolarHBondContact O-N 2.81Å; T22-K24 PolarHBondContact O-N 3.39Å
23	Q	27.2	Very low	36.7	Very low	188 Å²	188	134.7 Å²	134.7	88%	0.879	71%	0.705	S	S	*	*	S	Bend	trans	-60.1	2.7	-174.8	-80.8	176.7	-30.9	0	0	117.6
24	K	30.7	Very low	38.8	Very low	196 Å²	196	130.4 Å²	130.4	85%	0.852	68%	0.677	S	S	*	*	S	Bend	trans	-102.7	73.8	179	-81.5	-172.6	172.4	-179.3	0	112.7	T22	T22-K24 PolarHBondContact O-N 3.39Å
25	K	30	Very low	40.8	Very low	185 Å²	185	125.9 Å²	125.9	80%	0.804	65%	0.645	S	S	*	*	S	Bend	trans	174.8	5.8	151.7	-103.3	175	-178.4	-174.8	0	115.6	G27	K25-G27 PolarHBondContact O-N 2.91Å
26	K	28.7	Very low	42.9	Very low	165 Å²	165	123.5 Å²	123.5	72%	0.717	63%	0.632	S	S	*	*	H	α-helix	trans	-58.8	-42.8	-174.9	-83.2	-169.5	170.2	-172.9	0	115	G28 K29 D30	K26-G28 VanDerWaalsContact C-N 3.28Å; K26-G28 PolarHBondContact O-N 3.04Å; K26-K29 PolarHBondContact O-N 3.17Å; K26-D30 PolarHBondContact O-N 3.3Å
27	G	36.2	Very low	44.3	Very low	55 Å²	55	120.1 Å²	120.1	57%	0.567	61%	0.611	S	S	*	*	H	α-helix	trans	-62.2	-26.4	-174.1	0	0	0	0	0	115.9	K25	K25-G27 PolarHBondContact O-N 2.91Å
28	G	37.9	Very low	46.2	Very low	49 Å²	49	115.2 Å²	115.2	51%	0.505	58%	0.581	S	S	.	*	H	α-helix	trans	-74.8	-40.5	178.7	0	0	0	0	0	113.5	K26 D30 D32	K26-G28 VanDerWaalsContact C-N 3.28Å; K26-G28 PolarHBondContact O-N 3.04Å; G28-D30 VanDerWaalsContact C-N 3.35Å; G28-D30 PolarHBondContact O-N 2.95Å; G28-D32 PolarHBondContact O-N 3.39Å
29	K	40.9	Very low	47.7	Very low	146 Å²	146	112.3 Å²	112.3	64%	0.635	57%	0.57	S	S	*	*	H	α-helix	trans	-67.2	-36.4	179.7	-73.3	-176.5	175.1	177	0	112	K26 D33	K26-K29 PolarHBondContact O-N 3.17Å; K29-D33 PolarHBondContact O-N 3.38Å
30	D	59.4	Low	50.2	Low	108 Å²	108	106 Å²	106	58%	0.578	54%	0.536	S	S	*	.	H	α-helix	trans	-67.1	-40.4	-178.5	-140.8	-8.2	0	0	0	112.1	K26 G28 D33 L34	K26-D30 PolarHBondContact O-N 3.3Å; G28-D30 VanDerWaalsContact C-N 3.35Å; G28-D30 PolarHBondContact O-N 2.95Å; D30-D33 PolarHBondContact O-N 3.11Å; D30-L34 WeakPolarHBondContact O-CG 3.46Å; D30-L34 PolarHBondContact O-N 2.92Å
31	M	65.9	Low	52.9	Low	45 Å²	45	99.6 Å²	99.6	22%	0.222	51%	0.514	C	S	.	.	H	α-helix	trans	-69.1	-36.9	179	-73.2	-66	-70.4	0	0	113.3	D33 L34 K35 L272 G275 L276	M31-D33 VanDerWaalsContact C-N 3.3Å; M31-D33 PolarHBondContact O-N 3.15Å; M31-L34 PolarHBondContact O-N 3.09Å; M31-L34 HydrophobicContact SD-CD1 3.95Å; M31-K35 PolarHBondContact O-N 3.39Å; M31-L272 HydrophobicContact CE-CD1 3.85Å; M31-G275 VanDerWaalsContact CE-C 3.46Å; M31-G275 WeakPolarHBondContact CE-O 3.23Å; M31-L276 HydrophobicContact CE-CD2 4.43Å; M31-L276 HydrophobicContact CE-CG 4.33Å
32	D	67.9	Low	55.8	Low	100 Å²	100	93 Å²	93	54%	0.535	48%	0.484	S	S	.	.	H	α-helix	trans	-69.2	-28.7	174.7	-77.8	-22.9	0	0	0	112.2	G28 K36	G28-D32 PolarHBondContact O-N 3.39Å; D32-K36 WeakPolarHBondContact O-CG 3.36Å
33	D	69.8	Low	58.9	Low	83 Å²	83	86.9 Å²	86.9	44%	0.444	45%	0.446	S	S	.	.	H	α-helix	trans	-73.6	-36	170.2	-77.5	-23.6	0	0	0	111.9	K29 D30 M31 K35 K36 R268	K29-D33 PolarHBondContact O-N 3.38Å; D30-D33 PolarHBondContact O-N 3.11Å; M31-D33 VanDerWaalsContact C-N 3.3Å; M31-D33 PolarHBondContact O-N 3.15Å; D33-K35 VanDerWaalsContact C-N 3.3Å; D33-K35 PolarHBondContact O-N 2.86Å; D33-K36 WeakPolarHBondContact O-CB 3.23Å; D33-K36 PolarHBondContact O-N 3.46Å; D33-K36 VanDerWaalsContact O-N 3.15Å; D33-K36 WeakPolarHBondContact OD1-CE 3.41Å; D33-K36 IonicContact OD1-NZ 3.71Å; D33-K36 PolarHBondContact OD1-NZ 3.18Å; D33-R268 PolarHBondContact O-NH2 3.43Å; D33-R268 VanDerWaalsContact O-NH2 3.13Å
34	L	68.1	Low	61.9	Low	26 Å²	26	83.4 Å²	83.4	14%	0.136	43%	0.428	C	S	.	.	H	α-helix	trans	-64	-32.4	170.8	-74.7	170.7	0	0	0	113	D30 M31 K36 R268 T271 L272	D30-L34 WeakPolarHBondContact O-CG 3.46Å; D30-L34 PolarHBondContact O-N 2.92Å; M31-L34 PolarHBondContact O-N 3.09Å; M31-L34 HydrophobicContact SD-CD1 3.95Å; L34-K36 VanDerWaalsContact C-N 3.27Å; L34-K36 PolarHBondContact O-N 3.39Å; L34-R268 HydrophobicContact CD2-CB 4.27Å; L34-R268 HydrophobicContact CD2-CG 4.2Å; L34-R268 PolarHBondContact O-NH2 3.16Å; L34-T271 HydrophobicContact CD1-CG2 3.95Å; L34-L272 HydrophobicContact CB-CB 4.47Å; L34-L272 HydrophobicContact CB-CD1 4.16Å
35	K	66.8	Low	64.8	Low	52 Å²	52	76.8 Å²	76.8	23%	0.226	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.5	172.7	-76.6	-171.8	173.7	-165.3	0	114.1	M31 D33 L272 Q695 L698 E702	M31-K35 PolarHBondContact O-N 3.39Å; D33-K35 VanDerWaalsContact C-N 3.3Å; D33-K35 PolarHBondContact O-N 2.86Å; K35-L272 HydrophobicContact CG-CD1 4.06Å; K35-Q695 WeakPolarHBondContact O-CG 3.4Å; K35-L698 HydrophobicContact CG-CD2 4.43Å; K35-E702 IonicContact NZ-OE1 2.82Å; K35-E702 PolarHBondContact NZ-OE1 3.49Å; K35-E702 IonicContact NZ-OE2 3.8Å; K35-E702 PolarHBondContact NZ-OE2 3.42Å
36	K	68.1	Low	67.7	Low	122 Å²	122	70.5 Å²	70.5	53%	0.53	38%	0.38	S	S	.	.	S	Bend	trans	-82.2	155.7	176.3	-66.9	166.5	-165.2	166.6	0	111.7	D32 D33 L34 R268	D32-K36 WeakPolarHBondContact O-CG 3.36Å; D33-K36 WeakPolarHBondContact O-CB 3.23Å; D33-K36 PolarHBondContact O-N 3.46Å; D33-K36 VanDerWaalsContact O-N 3.15Å; D33-K36 WeakPolarHBondContact OD1-CE 3.41Å; D33-K36 IonicContact OD1-NZ 3.71Å; D33-K36 PolarHBondContact OD1-NZ 3.18Å; L34-K36 VanDerWaalsContact C-N 3.27Å; L34-K36 PolarHBondContact O-N 3.39Å; K36-R268 PolarHBondContact O-NH2 2.98Å
37	E	63.5	Low	70.6	Confident	94 Å²	94	64.9 Å²	64.9	44%	0.439	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-53.7	161.2	174.5	-71.9	176.5	177.2	0	0	113	P39 K670	E37-P39 WeakPolarHBondContact O-CD 3.42Å; E37-K670 VanDerWaalsContact OE1-CE 3.27Å; E37-K670 WeakPolarHBondContact OE1-CE 3.42Å; E37-K670 IonicContact OE1-NZ 2.67Å; E37-K670 PolarHBondContact OE1-NZ 3.36Å; E37-K670 IonicContact OE2-NZ 2.96Å; E37-K670 PolarHBondContact OE2-NZ 3.27Å
38	V	64.9	Low	73.1	Confident	22 Å²	22	69.2 Å²	69.2	13%	0.133	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-82.2	118.1	-175.1	-166	0	0	0	0	110.9	I40 V265	V38-I40 HydrophobicContact CG1-CD1 4.11Å; V38-I40 HydrophobicContact CG1-CG1 3.94Å; V38-I40 PolarHBondContact O-N 2.99Å; V38-V265 HydrophobicContact CB-CG2 4.43Å; V38-V265 HydrophobicContact CG1-CG2 4.18Å; V38-V265 HydrophobicContact CG2-CG1 4.18Å; V38-V265 HydrophobicContact CG2-CG2 4.17Å
39	P	65.2	Low	75.6	Confident	98 Å²	98	71.6 Å²	71.6	64%	0.636	36%	0.363	S	S	*	.			trans	-83.5	56.1	-179.2	37.2	-36.1	0	0	0	111.1	E37	E37-P39 WeakPolarHBondContact O-CD 3.42Å
40	I	80.8	Confident	77.9	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.051	33%	0.332	C	S	.	.			trans	-69	132.7	161.5	-67.3	164.8	0	0	0	106.5	V38 H43 P235 I241 F243 V265	V38-I40 HydrophobicContact CG1-CD1 4.11Å; V38-I40 HydrophobicContact CG1-CG1 3.94Å; V38-I40 PolarHBondContact O-N 2.99Å; I40-H43 PolarHBondContact O-CE1 2.78Å; I40-H43 PolarHBondContact O-ND1 2.8Å; I40-P235 HydrophobicContact CB-CB 3.83Å; I40-P235 HydrophobicContact CB-CG 4.13Å; I40-P235 HydrophobicContact CD1-CB 4.35Å; I40-P235 HydrophobicContact CG2-CB 4.09Å; I40-I241 HydrophobicContact CG2-CD1 4.23Å; I40-F243 HydrophobicContact CD1-CE1 4.47Å; I40-V265 HydrophobicContact CD1-CG2 3.86Å
41	T	85.5	Confident	79.3	Confident	64 Å²	64	60.2 Å²	60.2	39%	0.393	31%	0.31	S	S	.	.			trans	-127.8	-15.9	179.5	57.4	0	0	0	0	112.5	H43 K44	T41-H43 PolarHBondContact O-N 3.2Å; T41-K44 PolarHBondContact O-N 2.65Å
42	E	88.8	Confident	80.5	Confident	14 Å²	14	67 Å²	67	7%	0.065	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.3	179.9	-63.6	68.5	-153.3	0	0	112.3	K44 M45 V50 K53 Y54 R203 V258	E42-K44 VanDerWaalsContact C-N 3.33Å; E42-M45 PolarHBondContact O-N 2.86Å; E42-V50 HydrophobicContact CB-CG2 4.34Å; E42-K53 IonicContact OE1-NZ 2.6Å; E42-K53 PolarHBondContact OE1-NZ 2.88Å; E42-Y54 HydrophobicContact CG-CE2 4.02Å; E42-R203 WeakPolarHBondContact O-CD 3.37Å; E42-R203 PolarHBondContact O-NE 3.24Å; E42-V258 HydrophobicContact CB-CG1 3.86Å; E42-V258 HydrophobicContact CG-CB 4.4Å; E42-V258 HydrophobicContact CG-CG1 3.91Å
43	H	90.6	Very high	81.6	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.009	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-31.7	172.8	67.1	-63	0	0	0	112.9	I40 T41 C230 D233 T238 N240 I241	I40-H43 PolarHBondContact O-CE1 2.78Å; I40-H43 PolarHBondContact O-ND1 2.8Å; T41-H43 PolarHBondContact O-N 3.2Å; H43-C230 WeakPolarHBondContact O-CB 3.38Å; H43-C230 PolarHBondContact O-SG 3.12Å; H43-D233 PolarHBondContact NE2-O 3.43Å; H43-T238 HydrophobicContact CB-CG2 4.01Å; H43-N240 WeakPolarHBondContact CB-OD1 3.36Å; H43-N240 PolarHBondContact O-ND2 2.96Å; H43-I241 HydrophobicContact CB-CD1 3.92Å; H43-I241 HydrophobicContact CB-CG1 3.78Å
44	K	91.1	Very high	82.6	Confident	116 Å²	116	64.9 Å²	64.9	50%	0.504	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-18.2	178.1	-51	-165.9	-173.4	-167.1	0	113.1	T41 E42 D233	T41-K44 PolarHBondContact O-N 2.65Å; E42-K44 VanDerWaalsContact C-N 3.33Å; K44-D233 VanDerWaalsContact CE-O 3.27Å; K44-D233 WeakPolarHBondContact CE-O 3.48Å; K44-D233 VanDerWaalsContact CE-OD1 3.31Å; K44-D233 WeakPolarHBondContact CE-OD1 3.35Å; K44-D233 IonicContact NZ-OD1 2.63Å; K44-D233 PolarHBondContact NZ-OD1 3.42Å
45	M	91.2	Very high	83.7	Confident	56 Å²	56	68.6 Å²	68.6	28%	0.276	33%	0.334	S	S	.	.	S	Bend	trans	-74.6	150.3	177.5	-65.3	178.4	-176.2	0	0	111.5	E42 E49 V50 K53 R203	E42-M45 PolarHBondContact O-N 2.86Å; M45-E49 HydrophobicContact CB-CB 4.18Å; M45-V50 HydrophobicContact CB-CG2 3.79Å; M45-K53 HydrophobicContact SD-CD 4.41Å; M45-R203 PolarHBondContact O-NH2 2.99Å
46	S	90.5	Very high	84.9	Confident	53 Å²	53	66.8 Å²	66.8	37%	0.371	33%	0.328	S	S	.	.			trans	-66.5	156.8	167.6	66.7	0	0	0	0	110.9	E48 E49 V50	S46-E48 PolarHBondContact O-N 3.26Å; S46-E49 WeakPolarHBondContact CB-OE2 3.34Å; S46-E49 PolarHBondContact N-OE2 3.14Å; S46-E49 PolarHBondContact O-N 2.87Å; S46-E49 VanDerWaalsContact OG-CG 3.23Å; S46-E49 WeakPolarHBondContact OG-CG 3.34Å; S46-E49 PolarHBondContact OG-N 3.41Å; S46-E49 PolarHBondContact OG-OE2 3.29Å; S46-V50 WeakPolarHBondContact O-CG2 3.36Å; S46-V50 PolarHBondContact O-N 2.99Å; S46-V50 VanDerWaalsContact O-N 3.09Å
47	V	88.9	Confident	86	Confident	48 Å²	48	64.2 Å²	64.2	29%	0.291	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-36	-179.6	-179.2	0	0	0	0	111.3	V50 C51 I58 I205	V47-V50 PolarHBondContact O-N 3Å; V47-C51 WeakPolarHBondContact O-CB 3.46Å; V47-C51 PolarHBondContact O-N 3.05Å; V47-C51 PolarHBondContact O-SG 3.07Å; V47-I58 HydrophobicContact CG1-CG2 3.72Å; V47-I205 HydrophobicContact CG1-CB 4.34Å; V47-I205 HydrophobicContact CG1-CG2 3.79Å; V47-I205 HydrophobicContact CG2-CG2 4.28Å
48	E	88.4	Confident	87.2	Confident	146 Å²	146	63.8 Å²	63.8	68%	0.682	32%	0.32	S	S	*	.	H	α-helix	trans	-64.9	-40.3	177.4	-62.8	178.5	-168.9	0	0	112.8	S46 C51 R52	S46-E48 PolarHBondContact O-N 3.26Å; E48-C51 PolarHBondContact O-N 2.96Å; E48-R52 WeakPolarHBondContact O-CB 3.28Å; E48-R52 PolarHBondContact O-N 2.95Å
49	E	91.1	Very high	88.3	Confident	98 Å²	98	67.2 Å²	67.2	46%	0.458	34%	0.341	S	S	.	.	H	α-helix	trans	-67.3	-40.9	176	-72.4	164.1	138.3	0	0	111.6	M45 S46 R52 K53	M45-E49 HydrophobicContact CB-CB 4.18Å; S46-E49 WeakPolarHBondContact CB-OE2 3.34Å; S46-E49 PolarHBondContact N-OE2 3.14Å; S46-E49 PolarHBondContact O-N 2.87Å; S46-E49 VanDerWaalsContact OG-CG 3.23Å; S46-E49 WeakPolarHBondContact OG-CG 3.34Å; S46-E49 PolarHBondContact OG-N 3.41Å; S46-E49 PolarHBondContact OG-OE2 3.29Å; E49-R52 PolarHBondContact O-N 2.69Å; E49-K53 WeakPolarHBondContact O-CB 3.37Å; E49-K53 PolarHBondContact O-N 3.27Å
50	V	89.5	Confident	89.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-46.7	174.1	176.6	0	0	0	0	110.4	E42 M45 S46 V47 R52 K53 Y54 R203 I256	E42-V50 HydrophobicContact CB-CG2 4.34Å; M45-V50 HydrophobicContact CB-CG2 3.79Å; S46-V50 WeakPolarHBondContact O-CG2 3.36Å; S46-V50 PolarHBondContact O-N 2.99Å; S46-V50 VanDerWaalsContact O-N 3.09Å; V47-V50 PolarHBondContact O-N 3Å; V50-R52 VanDerWaalsContact C-N 3.32Å; V50-R52 PolarHBondContact O-N 3.05Å; V50-K53 PolarHBondContact O-N 3.02Å; V50-K53 VanDerWaalsContact O-N 3.15Å; V50-Y54 HydrophobicContact CG1-CD2 3.88Å; V50-Y54 HydrophobicContact CG1-CE2 4.12Å; V50-Y54 WeakPolarHBondContact O-CD2 3.42Å; V50-Y54 PolarHBondContact O-N 2.6Å; V50-R203 HydrophobicContact CG1-CG 4.44Å; V50-R203 HydrophobicContact CG2-CG 4.43Å; V50-I256 HydrophobicContact CG1-CB 4.48Å; V50-I256 HydrophobicContact CG1-CD1 4.13Å; V50-I256 HydrophobicContact CG1-CG2 4.31Å
51	C	89	Confident	90	Very high	16 Å²	16	68.1 Å²	68.1	11%	0.108	34%	0.338	C	S	.	.	H	α-helix	trans	-60.9	-41.2	177.5	-66.7	0	0	0	0	112.2	V47 E48 N55 T56 I58 I256	V47-C51 WeakPolarHBondContact O-CB 3.46Å; V47-C51 PolarHBondContact O-N 3.05Å; V47-C51 PolarHBondContact O-SG 3.07Å; E48-C51 PolarHBondContact O-N 2.96Å; C51-N55 WeakPolarHBondContact O-CA 3.29Å; C51-N55 PolarHBondContact O-N 3.49Å; C51-T56 WeakPolarHBondContact CB-O 3.18Å; C51-T56 PolarHBondContact O-N 2.92Å; C51-I58 WeakPolarHBondContact SG-CG2 3.33Å; C51-I256 VanDerWaalsContact SG-CD1 3.53Å
52	R	90.8	Very high	90.3	Very high	186 Å²	186	65.1 Å²	65.1	70%	0.702	32%	0.32	S	S	*	.	H	α-helix	trans	-65.8	-38.2	174.7	-169.2	-178.8	-60.9	161.5	6.5	112.4	E48 E49 V50	E48-R52 WeakPolarHBondContact O-CB 3.28Å; E48-R52 PolarHBondContact O-N 2.95Å; E49-R52 PolarHBondContact O-N 2.69Å; V50-R52 VanDerWaalsContact C-N 3.32Å; V50-R52 PolarHBondContact O-N 3.05Å
53	K	91.6	Very high	90.5	Very high	106 Å²	106	67.3 Å²	67.3	46%	0.461	33%	0.334	S	S	.	.	H	α-helix	trans	-65	-40.8	178	-176	174.5	-178.2	175.9	0	112.2	E42 M45 E49 V50	E42-K53 IonicContact OE1-NZ 2.6Å; E42-K53 PolarHBondContact OE1-NZ 2.88Å; M45-K53 HydrophobicContact SD-CD 4.41Å; E49-K53 WeakPolarHBondContact O-CB 3.37Å; E49-K53 PolarHBondContact O-N 3.27Å; V50-K53 PolarHBondContact O-N 3.02Å; V50-K53 VanDerWaalsContact O-N 3.15Å
54	Y	90.4	Very high	90.6	Very high	33 Å²	33	70.2 Å²	70.2	13%	0.129	35%	0.35	C	S	.	.	H	α-helix	trans	-100.3	3.3	-176.6	-66.3	-80.2	0	0	0	114.6	E42 V50 T56 A186 V258	E42-Y54 HydrophobicContact CG-CE2 4.02Å; V50-Y54 HydrophobicContact CG1-CD2 3.88Å; V50-Y54 HydrophobicContact CG1-CE2 4.12Å; V50-Y54 WeakPolarHBondContact O-CD2 3.42Å; V50-Y54 PolarHBondContact O-N 2.6Å; Y54-T56 VanDerWaalsContact C-N 3.27Å; Y54-T56 PolarHBondContact O-N 3.21Å; Y54-A186 HydrophobicContact CD1-CB 4.17Å; Y54-A186 HydrophobicContact CE1-CB 4.03Å; Y54-V258 HydrophobicContact CE2-CG1 4.13Å; Y54-V258 WeakPolarHBondContact OH-CA 3.35Å; Y54-V258 PolarHBondContact OH-O 3.2Å
55	N	91	Very high	90.6	Very high	104 Å²	104	68.2 Å²	68.2	56%	0.556	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	39.6	-178.8	-70.9	-55.2	0	0	0	114.4	C51 K66	C51-N55 WeakPolarHBondContact O-CA 3.29Å; C51-N55 PolarHBondContact O-N 3.49Å; N55-K66 PolarHBondContact O-NZ 2.7Å
56	T	91.6	Very high	90.6	Very high	14 Å²	14	69.2 Å²	69.2	9%	0.086	36%	0.358	C	S	.	.			trans	-119.2	160.5	-174.4	-166.9	0	0	0	0	112.2	C51 Y54 G187 I256	C51-T56 WeakPolarHBondContact CB-O 3.18Å; C51-T56 PolarHBondContact O-N 2.92Å; Y54-T56 VanDerWaalsContact C-N 3.27Å; Y54-T56 PolarHBondContact O-N 3.21Å; T56-G187 WeakPolarHBondContact CB-O 3.38Å; T56-G187 WeakPolarHBondContact CG2-O 3.48Å; T56-G187 PolarHBondContact OG1-O 3.31Å; T56-I256 HydrophobicContact CG2-CD1 4.06Å; T56-I256 HydrophobicContact CG2-CG1 4.45Å; T56-I256 HydrophobicContact CG2-CG2 3.97Å
57	D	91.9	Very high	90.7	Very high	69 Å²	69	66.8 Å²	66.8	37%	0.369	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-109	141.6	179.8	-174.7	-87.7	0	0	0	112.1	V59 Q60 G61	D57-V59 VanDerWaalsContact C-N 3.26Å; D57-V59 PolarHBondContact O-N 3.34Å; D57-V59 WeakPolarHBondContact OD1-CA 3.34Å; D57-V59 PolarHBondContact OD1-N 3.42Å; D57-Q60 HydrophobicContact CB-CB 4.19Å; D57-Q60 PolarHBondContact OD1-N 2.9Å; D57-G61 PolarHBondContact N-O 2.85Å; D57-G61 WeakPolarHBondContact O-CA 3.46Å; D57-G61 PolarHBondContact O-N 3.29Å
58	I	87.9	Confident	90.8	Very high	85 Å²	85	67.3 Å²	67.3	44%	0.436	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.1	-176.9	53.1	155.5	0	0	0	115	V47 C51 I205	V47-I58 HydrophobicContact CG1-CG2 3.72Å; C51-I58 WeakPolarHBondContact SG-CG2 3.33Å; I58-I205 HydrophobicContact CB-CD1 4.44Å
59	V	88.4	Confident	91.1	Very high	94 Å²	94	66.1 Å²	66.1	57%	0.57	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-43.6	-176	173	0	0	0	0	111.2	D57	D57-V59 VanDerWaalsContact C-N 3.26Å; D57-V59 PolarHBondContact O-N 3.34Å; D57-V59 WeakPolarHBondContact OD1-CA 3.34Å; D57-V59 PolarHBondContact OD1-N 3.42Å
60	Q	89.2	Confident	91.2	Very high	118 Å²	118	62.1 Å²	62.1	55%	0.551	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-19.7	-178.2	-62.3	-171.3	-3.6	0	0	113.8	D57 R172 E173 G174	D57-Q60 HydrophobicContact CB-CB 4.19Å; D57-Q60 PolarHBondContact OD1-N 2.9Å; Q60-R172 CarbonylContact O-C 3.48Å; Q60-E173 PolarHBondContact O-N 3.43Å; Q60-G174 PolarHBondContact O-N 2.99Å
61	G	91.8	Very high	91.3	Very high	8 Å²	8	64.7 Å²	64.7	8%	0.082	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	69.4	-149.2	-174	0	0	0	0	0	113	D57	D57-G61 PolarHBondContact N-O 2.85Å; D57-G61 WeakPolarHBondContact O-CA 3.46Å; D57-G61 PolarHBondContact O-N 3.29Å
62	L	93.2	Very high	91.5	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-86	156.2	175.8	-75.2	176.4	0	0	0	112.1	K66 F70 R172 E173 V185	L62-K66 HydrophobicContact CD2-CB 4.46Å; L62-K66 HydrophobicContact CD2-CD 4.15Å; L62-F70 HydrophobicContact CD1-CD2 4.01Å; L62-F70 HydrophobicContact CD1-CE2 4.12Å; L62-F70 HydrophobicContact CD2-CE2 4.25Å; L62-R172 CarbonylContact O-C 3.53Å; L62-R172 WeakPolarHBondContact O-CA 3.15Å; L62-R172 VanDerWaalsContact O-CB 3.29Å; L62-R172 WeakPolarHBondContact O-CB 3.47Å; L62-E173 PolarHBondContact O-N 3.03Å; L62-V185 HydrophobicContact CD1-CG2 3.94Å
63	T	93.4	Very high	91.5	Very high	60 Å²	60	66.5 Å²	66.5	37%	0.368	36%	0.364	S	S	.	.			trans	-75.1	146.7	164.5	55.1	0	0	0	0	110.9	A65 K66 A67 E173	T63-A65 PolarHBondContact O-N 3.47Å; T63-K66 PolarHBondContact O-N 3.46Å; T63-K66 VanDerWaalsContact O-N 3.14Å; T63-K66 WeakPolarHBondContact OG1-CB 3.47Å; T63-K66 VanDerWaalsContact OG1-CG 3.28Å; T63-K66 WeakPolarHBondContact OG1-CG 3.35Å; T63-K66 PolarHBondContact OG1-N 3.11Å; T63-A67 PolarHBondContact O-N 3.4Å; T63-E173 WeakPolarHBondContact CA-OE1 3.4Å; T63-E173 WeakPolarHBondContact CB-OE1 3.19Å; T63-E173 HydrophobicContact CG2-CG 4.39Å
64	N	91.2	Very high	91.3	Very high	62 Å²	62	63.3 Å²	63.3	33%	0.332	35%	0.352	S	S	.	.	H	α-helix	trans	-57.3	-35.7	179.3	-77.6	-57.8	0	0	0	112.6	A67 A68 E173	N64-A67 PolarHBondContact O-N 2.84Å; N64-A68 PolarHBondContact O-N 3.24Å; N64-A68 VanDerWaalsContact O-N 3.11Å; N64-E173 PolarHBondContact N-OE1 3.19Å; N64-E173 PolarHBondContact ND2-OE2 3.08Å
65	A	91.8	Very high	91.4	Very high	75 Å²	75	63 Å²	63	62%	0.62	36%	0.358	S	S	*	.	H	α-helix	trans	-63.7	-49.9	175.1	0	0	0	0	0	113.1	T63 A67 A68 E69	T63-A65 PolarHBondContact O-N 3.47Å; A65-A67 VanDerWaalsContact C-N 3.3Å; A65-A67 PolarHBondContact O-N 2.82Å; A65-A68 PolarHBondContact O-N 2.63Å; A65-E69 PolarHBondContact O-N 3.04Å
66	K	92	Very high	91.4	Very high	76 Å²	76	61.5 Å²	61.5	33%	0.33	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-37.3	174.6	-75.8	178.9	174	177.4	0	112.5	N55 L62 T63 A68 E69 F70	N55-K66 PolarHBondContact O-NZ 2.7Å; L62-K66 HydrophobicContact CD2-CB 4.46Å; L62-K66 HydrophobicContact CD2-CD 4.15Å; T63-K66 PolarHBondContact O-N 3.46Å; T63-K66 VanDerWaalsContact O-N 3.14Å; T63-K66 WeakPolarHBondContact OG1-CB 3.47Å; T63-K66 VanDerWaalsContact OG1-CG 3.28Å; T63-K66 WeakPolarHBondContact OG1-CG 3.35Å; T63-K66 PolarHBondContact OG1-N 3.11Å; K66-A68 VanDerWaalsContact C-N 3.34Å; K66-E69 WeakPolarHBondContact O-CB 3.32Å; K66-E69 PolarHBondContact O-N 2.94Å; K66-F70 WeakPolarHBondContact O-CG 3.46Å; K66-F70 PolarHBondContact O-N 3.45Å
67	A	91.6	Very high	91.3	Very high	3 Å²	3	61.1 Å²	61.1	3%	0.025	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-42.6	177.9	0	0	0	0	0	111.3	T63 N64 A65 F70 L71 R172 V185	T63-A67 PolarHBondContact O-N 3.4Å; N64-A67 PolarHBondContact O-N 2.84Å; A65-A67 VanDerWaalsContact C-N 3.3Å; A65-A67 PolarHBondContact O-N 2.82Å; A67-F70 PolarHBondContact O-N 3.1Å; A67-L71 WeakPolarHBondContact O-CB 3.5Å; A67-L71 PolarHBondContact O-N 2.88Å; A67-R172 VanDerWaalsContact CB-CZ 3.48Å; A67-V185 HydrophobicContact CB-CG2 4.18Å
68	A	92.1	Very high	90.9	Very high	59 Å²	59	59.3 Å²	59.3	49%	0.488	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-38.2	173.1	0	0	0	0	0	113	N64 A65 K66 L71 A72	N64-A68 PolarHBondContact O-N 3.24Å; N64-A68 VanDerWaalsContact O-N 3.11Å; A65-A68 PolarHBondContact O-N 2.63Å; K66-A68 VanDerWaalsContact C-N 3.34Å; A68-L71 PolarHBondContact O-N 2.98Å; A68-A72 WeakPolarHBondContact O-CB 3.27Å; A68-A72 PolarHBondContact O-N 2.82Å
69	E	93.9	Very high	90.5	Very high	120 Å²	120	58.5 Å²	58.5	56%	0.561	34%	0.343	S	S	*	.	H	α-helix	trans	-60.7	-48	173.8	-173.4	-167.5	152.6	0	0	111.6	A65 K66 A72 R73	A65-E69 PolarHBondContact O-N 3.04Å; K66-E69 WeakPolarHBondContact O-CB 3.32Å; K66-E69 PolarHBondContact O-N 2.94Å; E69-A72 PolarHBondContact O-N 3.5Å; E69-R73 WeakPolarHBondContact O-CB 3.31Å; E69-R73 PolarHBondContact O-N 2.85Å
70	F	92.6	Very high	90	Very high	15 Å²	15	58.7 Å²	58.7	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-68.7	-35.2	179.3	-67.6	-1.7	0	0	0	111.8	L62 K66 A67 A72 R73 D74 V185 A186	L62-F70 HydrophobicContact CD1-CD2 4.01Å; L62-F70 HydrophobicContact CD1-CE2 4.12Å; L62-F70 HydrophobicContact CD2-CE2 4.25Å; K66-F70 WeakPolarHBondContact O-CG 3.46Å; K66-F70 PolarHBondContact O-N 3.45Å; A67-F70 PolarHBondContact O-N 3.1Å; F70-A72 VanDerWaalsContact C-N 3.34Å; F70-A72 PolarHBondContact O-N 3.34Å; F70-R73 VanDerWaalsContact CD1-NH1 3.28Å; F70-R73 VanDerWaalsContact CE1-NH1 3.27Å; F70-R73 PolarHBondContact O-N 2.76Å; F70-D74 WeakPolarHBondContact O-CB 3.37Å; F70-D74 PolarHBondContact O-N 2.89Å; F70-V185 HydrophobicContact CB-CB 3.98Å; F70-V185 HydrophobicContact CB-CG1 4.25Å; F70-V185 HydrophobicContact CB-CG2 4.05Å; F70-V185 HydrophobicContact CD2-CG2 4.38Å; F70-A186 WeakPolarHBondContact CD2-O 3.38Å
71	L	92.6	Very high	89.1	Confident	54 Å²	54	57.9 Å²	57.9	28%	0.283	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-41.7	174.3	-172.9	65.4	0	0	0	111.4	A67 A68 G75 V185	A67-L71 WeakPolarHBondContact O-CB 3.5Å; A67-L71 PolarHBondContact O-N 2.88Å; A68-L71 PolarHBondContact O-N 2.98Å; L71-G75 CarbonylContact O-C 3.22Å; L71-G75 WeakPolarHBondContact O-CA 3.46Å; L71-G75 PolarHBondContact O-N 2.79Å; L71-G75 VanDerWaalsContact O-N 3.13Å; L71-V185 HydrophobicContact CB-CG1 3.75Å; L71-V185 HydrophobicContact CD1-CG1 4.03Å
72	A	91.9	Very high	88	Confident	92 Å²	92	60.6 Å²	60.6	76%	0.76	37%	0.365	S	S	*	.	H	α-helix	trans	-70.4	-29.3	175.7	0	0	0	0	0	113.2	A68 E69 F70	A68-A72 WeakPolarHBondContact O-CB 3.27Å; A68-A72 PolarHBondContact O-N 2.82Å; E69-A72 PolarHBondContact O-N 3.5Å; F70-A72 VanDerWaalsContact C-N 3.34Å; F70-A72 PolarHBondContact O-N 3.34Å
73	R	91.1	Very high	86.9	Confident	147 Å²	147	66.8 Å²	66.8	56%	0.555	41%	0.406	S	S	*	.	H	α-helix	trans	-79.3	-47.7	178	-172.8	-170.6	71.1	-147.8	-7.3	113	E69 F70	E69-R73 WeakPolarHBondContact O-CB 3.31Å; E69-R73 PolarHBondContact O-N 2.85Å; F70-R73 VanDerWaalsContact CD1-NH1 3.28Å; F70-R73 VanDerWaalsContact CE1-NH1 3.27Å; F70-R73 PolarHBondContact O-N 2.76Å
74	D	88.8	Confident	85.9	Confident	39 Å²	39	69.6 Å²	69.6	21%	0.209	42%	0.423	C	S	.	.	H	α-helix	trans	-100.7	-11.5	-165.9	-63.6	-20	0	0	0	113.7	F70 R263	F70-D74 WeakPolarHBondContact O-CB 3.37Å; F70-D74 PolarHBondContact O-N 2.89Å; D74-R263 PolarHBondContact O-NH1 3.03Å; D74-R263 PolarHBondContact O-NH2 3.33Å
75	G	90.7	Very high	85.2	Confident	26 Å²	26	70.7 Å²	70.7	27%	0.268	43%	0.432	S	S	.	.			trans	83.9	170.2	-172.4	0	0	0	0	0	113.5	L71	L71-G75 CarbonylContact O-C 3.22Å; L71-G75 WeakPolarHBondContact O-CA 3.46Å; L71-G75 PolarHBondContact O-N 2.79Å; L71-G75 VanDerWaalsContact O-N 3.13Å
76	P	91.2	Very high	84.9	Confident	73 Å²	73	70 Å²	70	47%	0.474	42%	0.421	S	S	.	.			trans	-63.5	152.5	174.6	28.8	-35.1	0	0	0	111.7	A78 E182	P76-A78 PolarHBondContact O-N 2.76Å; P76-E182 CarbonylContact C-O 3.59Å; P76-E182 WeakPolarHBondContact CA-O 3.33Å; P76-E182 HydrophobicContact CB-CB 4.33Å
77	N	90.1	Very high	84.6	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.032	42%	0.423	C	S	.	.	S	Bend	trans	-79	64.9	172.3	176.9	57.2	0	0	0	110.8	A181 E182 V184 P199 T260 G261	N77-A181 WeakPolarHBondContact CB-O 3.34Å; N77-A181 PolarHBondContact ND2-O 3.44Å; N77-E182 PolarHBondContact N-O 3.08Å; N77-V184 HydrophobicContact CB-CB 4.31Å; N77-V184 WeakPolarHBondContact CB-O 3.37Å; N77-P199 PolarHBondContact ND2-O 2.66Å; N77-T260 HydrophobicContact CB-CG2 4.19Å; N77-T260 VanDerWaalsContact OD1-CA 3.27Å; N77-T260 WeakPolarHBondContact OD1-CA 3.49Å; N77-T260 WeakPolarHBondContact OD1-CB 3.46Å; N77-G261 PolarHBondContact OD1-N 2.93Å
78	A	84.2	Confident	84.4	Confident	31 Å²	31	78.6 Å²	78.6	26%	0.256	45%	0.454	S	S	.	.	S	Bend	trans	-128	161.1	173.7	0	0	0	0	0	109.3	P76 E182 G261	P76-A78 PolarHBondContact O-N 2.76Å; A78-E182 HydrophobicContact CB-CG 4.31Å; A78-G261 WeakPolarHBondContact O-CA 3.32Å
79	L	79.7	Confident	84.2	Confident	68 Å²	68	79.5 Å²	79.5	36%	0.356	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-82.7	130.9	169.9	-61.4	-174.9	0	0	0	109.4	P81 F244 D262 G267 A270	L79-P81 WeakPolarHBondContact O-CD 3.2Å; L79-F244 HydrophobicContact CD1-CE1 4.26Å; L79-F244 HydrophobicContact CD2-CE1 4.06Å; L79-F244 HydrophobicContact CG-CE1 4.1Å; L79-D262 WeakPolarHBondContact CA-OD1 3.46Å; L79-G267 VanDerWaalsContact CD2-CA 3.46Å; L79-A270 HydrophobicContact CD1-CB 4.06Å
80	T	77.9	Confident	83.7	Confident	99 Å²	99	75.6 Å²	75.6	61%	0.607	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-68.1	122.5	178.3	-57.2	0	0	0	0	109.1	D262	T80-D262 WeakPolarHBondContact CB-OD2 3.47Å; T80-D262 PolarHBondContact N-OD1 2.86Å; T80-D262 PolarHBondContact OG1-OD2 2.91Å
81	P	70.4	Confident	83.4	Confident	100 Å²	100	77.6 Å²	77.6	65%	0.649	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-63.4	138.3	178	25.7	-33.4	0	0	0	109.9	L79	L79-P81 WeakPolarHBondContact O-CD 3.2Å
82	P	67.7	Low	83.3	Confident	65 Å²	65	77.3 Å²	77.3	42%	0.422	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-62.3	146.7	-178.6	25.9	-34.9	0	0	0	111	T84	P82-T84 PolarHBondContact O-N 3.08Å
83	P	70.3	Confident	82.9	Confident	132 Å²	132	82.7 Å²	82.7	86%	0.857	44%	0.443	S	S	*	.			trans	-61.2	110	179.6	25.5	-33.8	0	0	0	109.8
84	T	71.4	Confident	82.5	Confident	119 Å²	119	78.7 Å²	78.7	73%	0.73	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-73.4	136	179.9	49.7	0	0	0	0	110.1	P82 P86	P82-T84 PolarHBondContact O-N 3.08Å; T84-P86 WeakPolarHBondContact O-CD 3.43Å
85	T	76.4	Confident	82.4	Confident	86 Å²	86	77.7 Å²	77.7	53%	0.528	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-69.8	122.3	169.7	41.1	0	0	0	0	109	E87 K90	T85-E87 PolarHBondContact O-N 2.9Å; T85-K90 WeakPolarHBondContact O-CE 3.35Å; T85-K90 WeakPolarHBondContact OG1-CE 3.34Å
86	P	86.4	Confident	82.2	Confident	59 Å²	59	82.1 Å²	82.1	38%	0.383	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-57	138	178.1	-26.1	33.9	0	0	0	111.9	T84 W88 I89 K90	T84-P86 WeakPolarHBondContact O-CD 3.43Å; P86-W88 HydrophobicContact CB-CG 4.41Å; P86-W88 PolarHBondContact O-N 2.8Å; P86-W88 VanDerWaalsContact O-N 3.15Å; P86-I89 HydrophobicContact CB-CD1 4.47Å; P86-I89 HydrophobicContact CB-CG1 4.28Å; P86-I89 HydrophobicContact CG-CD1 4.16Å; P86-I89 WeakPolarHBondContact O-CB 3.39Å; P86-I89 PolarHBondContact O-N 2.9Å; P86-K90 PolarHBondContact O-N 3.36Å
87	E	85.1	Confident	81.5	Confident	82 Å²	82	80.1 Å²	80.1	38%	0.383	43%	0.429	S	S	.	.	H	α-helix	trans	-56.1	-34.9	-175.5	-66.8	-53.1	134.6	0	0	113.5	T85 I89 K90 F91 Y147	T85-E87 PolarHBondContact O-N 2.9Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 3.24Å; E87-K90 WeakPolarHBondContact O-CB 3.44Å; E87-K90 PolarHBondContact O-N 2.87Å; E87-K90 IonicContact OE1-NZ 3.73Å; E87-K90 PolarHBondContact OE1-NZ 2.82Å; E87-K90 IonicContact OE2-NZ 2.69Å; E87-K90 PolarHBondContact OE2-NZ 3.33Å; E87-F91 PolarHBondContact O-N 3Å; E87-Y147 HydrophobicContact CB-CE2 4.45Å; E87-Y147 WeakPolarHBondContact OE2-CE2 3.34Å; E87-Y147 PolarHBondContact OE2-OH 2.85Å
88	W	87.7	Confident	80.8	Confident	178 Å²	178	81.5 Å²	81.5	67%	0.674	45%	0.445	S	S	*	.	H	α-helix	trans	-64.6	-32.2	175.8	69.2	-90.7	0	0	0	113	P86 C92	P86-W88 HydrophobicContact CB-CG 4.41Å; P86-W88 PolarHBondContact O-N 2.8Å; P86-W88 VanDerWaalsContact O-N 3.15Å; W88-C92 WeakPolarHBondContact O-CB 3.48Å; W88-C92 PolarHBondContact O-N 2.85Å; W88-C92 PolarHBondContact O-SG 3.34Å
89	I	88.8	Confident	80.3	Confident	78 Å²	78	80.6 Å²	80.6	40%	0.4	44%	0.435	S	S	.	.	H	α-helix	trans	-71.2	-40.3	175.2	-59.5	-172.2	0	0	0	110.2	P86 E87 C92 R93	P86-I89 HydrophobicContact CB-CD1 4.47Å; P86-I89 HydrophobicContact CB-CG1 4.28Å; P86-I89 HydrophobicContact CG-CD1 4.16Å; P86-I89 WeakPolarHBondContact O-CB 3.39Å; P86-I89 PolarHBondContact O-N 2.9Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 3.24Å; I89-C92 PolarHBondContact O-N 3.1Å; I89-R93 WeakPolarHBondContact O-CB 3.34Å; I89-R93 PolarHBondContact O-N 2.9Å
90	K	82.5	Confident	80.5	Confident	39 Å²	39	77.6 Å²	77.6	17%	0.17	42%	0.42	C	S	.	.	H	α-helix	trans	-59.8	-48.3	173.8	-58.9	-178.3	-170.1	165.3	0	110.8	T85 P86 E87 R93 Q94 Y147	T85-K90 WeakPolarHBondContact O-CE 3.35Å; T85-K90 WeakPolarHBondContact OG1-CE 3.34Å; P86-K90 PolarHBondContact O-N 3.36Å; E87-K90 WeakPolarHBondContact O-CB 3.44Å; E87-K90 PolarHBondContact O-N 2.87Å; E87-K90 IonicContact OE1-NZ 3.73Å; E87-K90 PolarHBondContact OE1-NZ 2.82Å; E87-K90 IonicContact OE2-NZ 2.69Å; E87-K90 PolarHBondContact OE2-NZ 3.33Å; K90-R93 VanDerWaalsContact O-CB 3.3Å; K90-R93 WeakPolarHBondContact O-CB 3.03Å; K90-R93 PolarHBondContact O-N 2.93Å; K90-R93 VanDerWaalsContact O-N 3.13Å; K90-Q94 PolarHBondContact O-N 2.86Å; K90-Y147 HydrophobicContact CB-CD2 4.41Å; K90-Y147 HydrophobicContact CB-CE2 4.38Å
91	F	87.5	Confident	80.8	Confident	57 Å²	57	77 Å²	77	25%	0.25	41%	0.412	C	S	.	.	H	α-helix	trans	-57.8	-49.5	176.4	178.7	-111.4	0	0	0	112.6	E87 R93 Q94 L95 Y147	E87-F91 PolarHBondContact O-N 3Å; F91-R93 VanDerWaalsContact C-N 3.26Å; F91-R93 PolarHBondContact O-N 2.85Å; F91-Q94 PolarHBondContact O-N 2.84Å; F91-Q94 VanDerWaalsContact O-N 3.15Å; F91-L95 HydrophobicContact CD1-CD1 4.05Å; F91-L95 HydrophobicContact CE1-CD1 3.52Å; F91-L95 HydrophobicContact CE1-CG 4.33Å; F91-L95 HydrophobicContact CZ-CD1 3.82Å; F91-L95 HydrophobicContact CZ-CD2 4.37Å; F91-L95 HydrophobicContact CZ-CG 4.24Å; F91-L95 PolarHBondContact O-N 2.68Å; F91-Y147 HydrophobicContact CB-CD2 4.01Å; F91-Y147 HydrophobicContact CB-CE2 4.36Å; F91-Y147 HydrophobicContact CB-CG 4.19Å; F91-Y147 HydrophobicContact CD2-CD1 4.04Å; F91-Y147 HydrophobicContact CD2-CD2 4.49Å; F91-Y147 AromaticContact CD2-CG 3.83Å; F91-Y147 HydrophobicContact CD2-CG 3.83Å; F91-Y147 HydrophobicContact CG-CG 4.5Å
92	C	89	Confident	81.3	Confident	48 Å²	48	73 Å²	73	32%	0.324	39%	0.385	S	S	.	.	H	α-helix	trans	-60.4	-33.8	175.6	-70.7	0	0	0	0	112.9	W88 I89 Q94 L95 F96	W88-C92 WeakPolarHBondContact O-CB 3.48Å; W88-C92 PolarHBondContact O-N 2.85Å; W88-C92 PolarHBondContact O-SG 3.34Å; I89-C92 PolarHBondContact O-N 3.1Å; C92-Q94 VanDerWaalsContact C-N 3.29Å; C92-Q94 PolarHBondContact O-N 3.29Å; C92-L95 PolarHBondContact O-N 3.44Å; C92-F96 VanDerWaalsContact O-CD2 3.24Å; C92-F96 WeakPolarHBondContact O-CD2 3.24Å; C92-F96 PolarHBondContact O-N 2.98Å
93	R	84.8	Confident	82.1	Confident	205 Å²	205	70.4 Å²	70.4	77%	0.774	37%	0.368	S	S	*	.	H	α-helix	trans	-62	-36.9	176.7	-158.6	-176.9	-144.4	177.6	6.5	112.3	I89 K90 F91 G97	I89-R93 WeakPolarHBondContact O-CB 3.34Å; I89-R93 PolarHBondContact O-N 2.9Å; K90-R93 VanDerWaalsContact O-CB 3.3Å; K90-R93 WeakPolarHBondContact O-CB 3.03Å; K90-R93 PolarHBondContact O-N 2.93Å; K90-R93 VanDerWaalsContact O-N 3.13Å; F91-R93 VanDerWaalsContact C-N 3.26Å; F91-R93 PolarHBondContact O-N 2.85Å; R93-G97 PolarHBondContact O-N 2.72Å
94	Q	82.7	Confident	83.1	Confident	62 Å²	62	67 Å²	67	29%	0.29	34%	0.338	S	S	.	.	H	α-helix	trans	-71.1	-37.5	176.2	-56.9	-61.6	-7	0	0	111.8	K90 F91 C92 F96 G97 E150	K90-Q94 PolarHBondContact O-N 2.86Å; F91-Q94 PolarHBondContact O-N 2.84Å; F91-Q94 VanDerWaalsContact O-N 3.15Å; C92-Q94 VanDerWaalsContact C-N 3.29Å; C92-Q94 PolarHBondContact O-N 3.29Å; Q94-F96 VanDerWaalsContact C-N 3.27Å; Q94-F96 PolarHBondContact O-N 3.34Å; Q94-G97 PolarHBondContact O-N 3.12Å; Q94-E150 PolarHBondContact NE2-OE2 3.49Å
95	L	86.8	Confident	83.8	Confident	18 Å²	18	65.2 Å²	65.2	9%	0.094	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-21.3	177.8	-69.6	175.8	0	0	0	114.8	F91 C92 S100 W104 V139 V140	F91-L95 HydrophobicContact CD1-CD1 4.05Å; F91-L95 HydrophobicContact CE1-CD1 3.52Å; F91-L95 HydrophobicContact CE1-CG 4.33Å; F91-L95 HydrophobicContact CZ-CD1 3.82Å; F91-L95 HydrophobicContact CZ-CD2 4.37Å; F91-L95 HydrophobicContact CZ-CG 4.24Å; F91-L95 PolarHBondContact O-N 2.68Å; C92-L95 PolarHBondContact O-N 3.44Å; L95-S100 VanDerWaalsContact O-CB 3.26Å; L95-S100 WeakPolarHBondContact O-CB 3.35Å; L95-W104 PolarHBondContact O-NE1 3.09Å; L95-V139 HydrophobicContact CD2-CG1 4.31Å; L95-V140 HydrophobicContact CD2-CG2 4.42Å
96	F	85.8	Confident	84.1	Confident	120 Å²	120	61.2 Å²	61.2	53%	0.526	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	22.8	-179.2	-59.8	-66.2	0	0	0	112.7	C92 Q94 I101 W104	C92-F96 VanDerWaalsContact O-CD2 3.24Å; C92-F96 WeakPolarHBondContact O-CD2 3.24Å; C92-F96 PolarHBondContact O-N 2.98Å; Q94-F96 VanDerWaalsContact C-N 3.27Å; Q94-F96 PolarHBondContact O-N 3.34Å; F96-I101 WeakPolarHBondContact O-CD1 3.42Å; F96-I101 WeakPolarHBondContact O-CG1 3.29Å; F96-W104 AromaticContact CD1-CD1 3.78Å; F96-W104 AromaticContact CD1-NE1 3.77Å; F96-W104 AromaticContact CE1-CD1 3.77Å; F96-W104 AromaticContact CE1-NE1 3.52Å
97	G	76.3	Confident	84.2	Confident	30 Å²	30	58.4 Å²	58.4	31%	0.309	28%	0.281	S	S	.	.	S	Bend	trans	-94	134.1	174.9	0	0	0	0	0	112.9	R93 Q94 F99 S100	R93-G97 PolarHBondContact O-N 2.72Å; Q94-G97 PolarHBondContact O-N 3.12Å; G97-F99 PolarHBondContact O-N 3.05Å; G97-S100 VanDerWaalsContact O-CB 3.29Å; G97-S100 WeakPolarHBondContact O-CB 3.43Å; G97-S100 PolarHBondContact O-N 3.38Å; G97-S100 PolarHBondContact O-OG 3.13Å
98	G	76.1	Confident	84.5	Confident	35 Å²	35	59.6 Å²	59.6	36%	0.361	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	-128.6	165.8	0	0	0	0	0	114.6	S100 I101	G98-S100 PolarHBondContact O-N 3.12Å; G98-S100 VanDerWaalsContact O-N 3.14Å; G98-I101 PolarHBondContact O-N 2.92Å; G98-I101 VanDerWaalsContact O-N 3.11Å
99	F	73.3	Confident	84.4	Confident	12 Å²	12	53.1 Å²	53.1	5%	0.053	27%	0.267	C	S	.	.	H	α-helix	trans	-54.9	-28.7	179.7	-65.5	-61.1	0	0	0	113.9	G97 I101 L102 L103 F290 I291 I294 V331	G97-F99 PolarHBondContact O-N 3.05Å; F99-I101 PolarHBondContact O-N 3.38Å; F99-I101 VanDerWaalsContact O-N 3.15Å; F99-L102 PolarHBondContact O-N 2.98Å; F99-L103 PolarHBondContact O-N 2.89Å; F99-F290 HydrophobicContact CE2-CD1 4.32Å; F99-F290 AromaticContact CE2-CE1 3.65Å; F99-F290 HydrophobicContact CE2-CE1 3.65Å; F99-F290 HydrophobicContact CE2-CZ 4.27Å; F99-F290 HydrophobicContact CZ-CD1 4.27Å; F99-F290 AromaticContact CZ-CE1 3.62Å; F99-F290 HydrophobicContact CZ-CE1 3.62Å; F99-F290 AromaticContact CZ-CZ 3.86Å; F99-F290 HydrophobicContact CZ-CZ 3.86Å; F99-I291 HydrophobicContact CD1-CG1 4.5Å; F99-I291 HydrophobicContact CD1-CG2 4.45Å; F99-I291 HydrophobicContact CD2-CD1 4.45Å; F99-I291 HydrophobicContact CD2-CG1 3.91Å; F99-I291 HydrophobicContact CE1-CB 4.47Å; F99-I291 HydrophobicContact CE1-CG1 4.16Å; F99-I291 HydrophobicContact CE1-CG2 4.36Å; F99-I291 HydrophobicContact CE2-CD1 4.41Å; F99-I291 HydrophobicContact CE2-CG1 3.53Å; F99-I291 HydrophobicContact CG-CG1 4.38Å; F99-I291 HydrophobicContact CZ-CB 4.3Å; F99-I291 HydrophobicContact CZ-CG1 3.66Å; F99-I294 HydrophobicContact CE1-CB 4.13Å; F99-I294 HydrophobicContact CE1-CG2 4Å; F99-I294 HydrophobicContact CZ-CB 4.38Å; F99-I294 HydrophobicContact CZ-CG2 4.5Å; F99-V331 HydrophobicContact CB-CG1 4.19Å; F99-V331 HydrophobicContact CD1-CG1 3.96Å; F99-V331 HydrophobicContact CG-CG1 4.25Å
100	S	83.4	Confident	84.2	Confident	5 Å²	5	49.4 Å²	49.4	4%	0.035	25%	0.248	C	C	.	.	H	α-helix	trans	-56.6	-32.1	177.7	-56.3	0	0	0	0	112.6	L95 G97 G98 W104	L95-S100 VanDerWaalsContact O-CB 3.26Å; L95-S100 WeakPolarHBondContact O-CB 3.35Å; G97-S100 VanDerWaalsContact O-CB 3.29Å; G97-S100 WeakPolarHBondContact O-CB 3.43Å; G97-S100 PolarHBondContact O-N 3.38Å; G97-S100 PolarHBondContact O-OG 3.13Å; G98-S100 PolarHBondContact O-N 3.12Å; G98-S100 VanDerWaalsContact O-N 3.14Å; S100-W104 WeakPolarHBondContact O-CB 3.4Å; S100-W104 PolarHBondContact O-N 2.89Å
101	I	85.5	Confident	84.6	Confident	86 Å²	86	51.2 Å²	51.2	44%	0.441	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-43.5	174.3	-63.6	176.3	0	0	0	111	F96 G98 F99 W104 I105	F96-I101 WeakPolarHBondContact O-CD1 3.42Å; F96-I101 WeakPolarHBondContact O-CG1 3.29Å; G98-I101 PolarHBondContact O-N 2.92Å; G98-I101 VanDerWaalsContact O-N 3.11Å; F99-I101 PolarHBondContact O-N 3.38Å; F99-I101 VanDerWaalsContact O-N 3.15Å; I101-W104 PolarHBondContact O-N 2.98Å; I101-I105 HydrophobicContact CG2-CD1 3.99Å; I101-I105 VanDerWaalsContact O-CG1 3.31Å; I101-I105 WeakPolarHBondContact O-CG1 3.09Å; I101-I105 PolarHBondContact O-N 3.06Å
102	L	80.6	Confident	84.6	Confident	16 Å²	16	52.9 Å²	52.9	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-69.1	-38.1	-178.7	-170.8	54.7	0	0	0	111.2	F99 I105 G106 T295 I327 V331	F99-L102 PolarHBondContact O-N 2.98Å; L102-I105 PolarHBondContact O-N 3.37Å; L102-G106 PolarHBondContact O-N 3.25Å; L102-T295 HydrophobicContact CD2-CG2 4.32Å; L102-I327 HydrophobicContact CD1-CG2 3.72Å; L102-I327 HydrophobicContact CD2-CG2 4.36Å; L102-I327 HydrophobicContact CG-CG2 3.89Å; L102-V331 HydrophobicContact CD2-CG2 3.36Å; L102-V331 HydrophobicContact CG-CG2 3.87Å
103	L	84.8	Confident	84.2	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-67.3	-37.7	172	-64.1	179.1	0	0	0	112.6	F99 G106 A107 L135 V138 V139 V331 E333	F99-L103 PolarHBondContact O-N 2.89Å; L103-G106 PolarHBondContact O-N 2.93Å; L103-A107 WeakPolarHBondContact O-CB 3.48Å; L103-A107 PolarHBondContact O-N 2.97Å; L103-L135 HydrophobicContact CD2-CD2 4.28Å; L103-V138 HydrophobicContact CD1-CG1 4.36Å; L103-V139 HydrophobicContact CB-CG2 3.46Å; L103-V139 VanDerWaalsContact CB-CG2 3.46Å; L103-V139 HydrophobicContact CD1-CG2 3.92Å; L103-V139 HydrophobicContact CG-CG2 4.35Å; L103-V331 HydrophobicContact CD2-CB 4.27Å; L103-V331 HydrophobicContact CD2-CG1 3.8Å; L103-V331 HydrophobicContact CG-CG1 4.14Å; L103-E333 HydrophobicContact CD1-CG 3.86Å; L103-E333 HydrophobicContact CD2-CG 3.69Å; L103-E333 HydrophobicContact CG-CG 4.42Å
104	W	89.5	Confident	84.3	Confident	61 Å²	61	43.8 Å²	43.8	23%	0.231	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-42.9	170.6	-83.6	125.5	0	0	0	112.1	L95 F96 S100 I101 A107 I108 V139	L95-W104 PolarHBondContact O-NE1 3.09Å; F96-W104 AromaticContact CD1-CD1 3.78Å; F96-W104 AromaticContact CD1-NE1 3.77Å; F96-W104 AromaticContact CE1-CD1 3.77Å; F96-W104 AromaticContact CE1-NE1 3.52Å; S100-W104 WeakPolarHBondContact O-CB 3.4Å; S100-W104 PolarHBondContact O-N 2.89Å; I101-W104 PolarHBondContact O-N 2.98Å; W104-A107 PolarHBondContact O-N 3.03Å; W104-I108 WeakPolarHBondContact O-CB 3.38Å; W104-I108 WeakPolarHBondContact O-CD1 3.34Å; W104-I108 WeakPolarHBondContact O-CG1 3.07Å; W104-I108 PolarHBondContact O-N 3.05Å; W104-V139 HydrophobicContact CZ2-CB 4.38Å; W104-V139 HydrophobicContact CZ2-CG1 3.99Å
105	I	85.9	Confident	84.5	Confident	80 Å²	80	43.5 Å²	43.5	41%	0.41	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-46.6	175.3	-69.2	164.9	0	0	0	109.9	I101 L102 I108 L109	I101-I105 HydrophobicContact CG2-CD1 3.99Å; I101-I105 VanDerWaalsContact O-CG1 3.31Å; I101-I105 WeakPolarHBondContact O-CG1 3.09Å; I101-I105 PolarHBondContact O-N 3.06Å; L102-I105 PolarHBondContact O-N 3.37Å; I105-I108 PolarHBondContact O-N 3.02Å; I105-L109 HydrophobicContact CG2-CD1 3.87Å; I105-L109 HydrophobicContact CG2-CG 4.41Å; I105-L109 WeakPolarHBondContact O-CB 3.43Å; I105-L109 VanDerWaalsContact O-CG 3.25Å; I105-L109 WeakPolarHBondContact O-CG 3.5Å; I105-L109 PolarHBondContact O-N 3.34Å
106	G	83.7	Confident	84.4	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-55.9	-51.4	174.2	0	0	0	0	0	112.5	L102 L103 I108 L109 C110	L102-G106 PolarHBondContact O-N 3.25Å; L103-G106 PolarHBondContact O-N 2.93Å; G106-I108 PolarHBondContact O-N 3.19Å; G106-L109 PolarHBondContact O-N 2.81Å; G106-C110 PolarHBondContact O-N 3.06Å; G106-C110 PolarHBondContact O-SG 3.02Å
107	A	89.3	Confident	84.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-43.5	178.8	0	0	0	0	0	113.1	L103 W104 L109 C110 F111 L135	L103-A107 WeakPolarHBondContact O-CB 3.48Å; L103-A107 PolarHBondContact O-N 2.97Å; W104-A107 PolarHBondContact O-N 3.03Å; A107-L109 VanDerWaalsContact C-N 3.34Å; A107-L109 PolarHBondContact O-N 2.78Å; A107-C110 WeakPolarHBondContact O-CB 3.05Å; A107-C110 PolarHBondContact O-N 2.91Å; A107-F111 HydrophobicContact CB-CE2 4.46Å; A107-F111 WeakPolarHBondContact O-CD2 3.48Å; A107-F111 WeakPolarHBondContact O-CG 3.48Å; A107-F111 PolarHBondContact O-N 3.42Å; A107-L135 HydrophobicContact CB-CB 3.95Å
108	I	90.4	Very high	84.7	Confident	106 Å²	106	42.2 Å²	42.2	54%	0.544	23%	0.232	S	C	.	.	H	α-helix	trans	-63.4	-40.7	176.1	-69.5	165.3	0	0	0	110.8	W104 I105 G106 F111 L112	W104-I108 WeakPolarHBondContact O-CB 3.38Å; W104-I108 WeakPolarHBondContact O-CD1 3.34Å; W104-I108 WeakPolarHBondContact O-CG1 3.07Å; W104-I108 PolarHBondContact O-N 3.05Å; I105-I108 PolarHBondContact O-N 3.02Å; G106-I108 PolarHBondContact O-N 3.19Å; I108-F111 PolarHBondContact O-N 2.88Å; I108-L112 WeakPolarHBondContact O-CB 3.16Å; I108-L112 PolarHBondContact O-N 2.84Å
109	L	85.5	Confident	85.1	Confident	43 Å²	43	44.7 Å²	44.7	23%	0.225	25%	0.249	C	C	.	.	H	α-helix	trans	-66.9	-37.1	175.4	-71.1	172.7	0	0	0	112.1	I105 G106 A107 L112 A113 I324	I105-L109 HydrophobicContact CG2-CD1 3.87Å; I105-L109 HydrophobicContact CG2-CG 4.41Å; I105-L109 WeakPolarHBondContact O-CB 3.43Å; I105-L109 VanDerWaalsContact O-CG 3.25Å; I105-L109 WeakPolarHBondContact O-CG 3.5Å; I105-L109 PolarHBondContact O-N 3.34Å; G106-L109 PolarHBondContact O-N 2.81Å; A107-L109 VanDerWaalsContact C-N 3.34Å; A107-L109 PolarHBondContact O-N 2.78Å; L109-L112 HydrophobicContact CD2-CD2 4.47Å; L109-L112 PolarHBondContact O-N 2.76Å; L109-A113 WeakPolarHBondContact O-CB 3.4Å; L109-A113 PolarHBondContact O-N 3.36Å; L109-I324 HydrophobicContact CB-CD1 3.68Å; L109-I324 HydrophobicContact CB-CG1 3.69Å; L109-I324 HydrophobicContact CD1-CG1 4.28Å
110	C	85.8	Confident	85.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-47.3	171.8	-67.5	0	0	0	0	111.8	G106 A107 L112 A113 Y114 N128 I324	G106-C110 PolarHBondContact O-N 3.06Å; G106-C110 PolarHBondContact O-SG 3.02Å; A107-C110 WeakPolarHBondContact O-CB 3.05Å; A107-C110 PolarHBondContact O-N 2.91Å; C110-L112 VanDerWaalsContact C-N 3.32Å; C110-L112 PolarHBondContact O-N 2.82Å; C110-A113 PolarHBondContact O-N 2.86Å; C110-Y114 WeakPolarHBondContact O-CB 3.47Å; C110-Y114 PolarHBondContact O-N 3.49Å; C110-N128 WeakPolarHBondContact CB-O 3.29Å; C110-I324 VanDerWaalsContact SG-CG2 3.57Å
111	F	90.1	Very high	85	Confident	76 Å²	76	53 Å²	53	33%	0.333	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-37.1	176.3	-65.7	-50.3	0	0	0	112.4	A107 I108 A115 L129 G132 I133	A107-F111 HydrophobicContact CB-CE2 4.46Å; A107-F111 WeakPolarHBondContact O-CD2 3.48Å; A107-F111 WeakPolarHBondContact O-CG 3.48Å; A107-F111 PolarHBondContact O-N 3.42Å; I108-F111 PolarHBondContact O-N 2.88Å; F111-A115 VanDerWaalsContact O-CB 3.31Å; F111-A115 WeakPolarHBondContact O-CB 3.49Å; F111-A115 PolarHBondContact O-N 3.27Å; F111-L129 HydrophobicContact CD1-CD1 4.16Å; F111-L129 HydrophobicContact CE1-CD1 4.1Å; F111-G132 WeakPolarHBondContact CZ-O 3.41Å; F111-I133 HydrophobicContact CE1-CG1 4.04Å; F111-I133 HydrophobicContact CZ-CG1 4.25Å
112	L	86.8	Confident	84.2	Confident	93 Å²	93	57.6 Å²	57.6	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-66.7	-45.1	175.2	-178.9	62.3	0	0	0	111.9	I108 L109 C110 A115 I116	I108-L112 WeakPolarHBondContact O-CB 3.16Å; I108-L112 PolarHBondContact O-N 2.84Å; L109-L112 HydrophobicContact CD2-CD2 4.47Å; L109-L112 PolarHBondContact O-N 2.76Å; C110-L112 VanDerWaalsContact C-N 3.32Å; C110-L112 PolarHBondContact O-N 2.82Å; L112-A115 PolarHBondContact O-N 2.83Å; L112-I116 HydrophobicContact CD1-CD1 4.22Å; L112-I116 HydrophobicContact CG-CD1 4.08Å; L112-I116 VanDerWaalsContact O-CG1 3.32Å; L112-I116 WeakPolarHBondContact O-CG1 3.26Å; L112-I116 PolarHBondContact O-N 3.19Å
113	A	82.1	Confident	83.6	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-45.5	176.5	0	0	0	0	0	111.3	L109 C110 I116 Q117 I321 I324	L109-A113 WeakPolarHBondContact O-CB 3.4Å; L109-A113 PolarHBondContact O-N 3.36Å; C110-A113 PolarHBondContact O-N 2.86Å; A113-I116 PolarHBondContact O-N 3.31Å; A113-Q117 WeakPolarHBondContact O-CG 3.21Å; A113-Q117 PolarHBondContact O-N 3.38Å; A113-I321 HydrophobicContact CB-CG1 4.28Å; A113-I324 HydrophobicContact CB-CD1 4.33Å
114	Y	86.4	Confident	82.9	Confident	60 Å²	60	63.3 Å²	63.3	24%	0.235	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-43.3	174.5	-179.6	-105.9	0	0	0	112.5	C110 I116 Q117 A118 P124 L129	C110-Y114 WeakPolarHBondContact O-CB 3.47Å; C110-Y114 PolarHBondContact O-N 3.49Å; Y114-I116 VanDerWaalsContact C-N 3.3Å; Y114-I116 PolarHBondContact O-N 3.47Å; Y114-Q117 PolarHBondContact O-N 3.5Å; Y114-A118 HydrophobicContact CE1-CB 4.49Å; Y114-A118 WeakPolarHBondContact O-CB 3.33Å; Y114-A118 PolarHBondContact O-N 3.24Å; Y114-P124 HydrophobicContact CE2-CB 4.3Å; Y114-P124 HydrophobicContact CE2-CG 4.4Å; Y114-L129 HydrophobicContact CD1-CB 3.95Å; Y114-L129 HydrophobicContact CD1-CD1 4.07Å; Y114-L129 HydrophobicContact CD1-CG 4.41Å; Y114-L129 HydrophobicContact CD2-CB 3.88Å; Y114-L129 HydrophobicContact CE1-CB 4.08Å; Y114-L129 HydrophobicContact CE1-CD1 4.17Å; Y114-L129 HydrophobicContact CE1-CD2 3.94Å; Y114-L129 HydrophobicContact CE1-CG 4.28Å; Y114-L129 HydrophobicContact CE2-CB 4.02Å; Y114-L129 HydrophobicContact CG-CB 3.85Å
115	A	86.9	Confident	82.1	Confident	57 Å²	57	62 Å²	62	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-33.8	177.9	0	0	0	0	0	113	F111 L112 A119	F111-A115 VanDerWaalsContact O-CB 3.31Å; F111-A115 WeakPolarHBondContact O-CB 3.49Å; F111-A115 PolarHBondContact O-N 3.27Å; L112-A115 PolarHBondContact O-N 2.83Å; A115-A119 WeakPolarHBondContact O-CB 3.27Å; A115-A119 PolarHBondContact O-N 3.29Å
116	I	84.8	Confident	81.8	Confident	74 Å²	74	59.2 Å²	59.2	38%	0.379	34%	0.343	S	S	.	.	H	α-helix	trans	-71.4	-44.8	174.1	-66.1	163.7	0	0	0	110.5	L112 A113 Y114 A119 T120 L317	L112-I116 HydrophobicContact CD1-CD1 4.22Å; L112-I116 HydrophobicContact CG-CD1 4.08Å; L112-I116 VanDerWaalsContact O-CG1 3.32Å; L112-I116 WeakPolarHBondContact O-CG1 3.26Å; L112-I116 PolarHBondContact O-N 3.19Å; A113-I116 PolarHBondContact O-N 3.31Å; Y114-I116 VanDerWaalsContact C-N 3.3Å; Y114-I116 PolarHBondContact O-N 3.47Å; I116-A119 PolarHBondContact O-N 2.84Å; I116-T120 WeakPolarHBondContact O-CB 3.46Å; I116-T120 PolarHBondContact O-N 3.43Å; I116-T120 PolarHBondContact O-OG1 3.19Å; I116-L317 HydrophobicContact CB-CD1 4.23Å; I116-L317 HydrophobicContact CG2-CD1 3.94Å; I116-L317 HydrophobicContact CG2-CD2 4.26Å
117	Q	81.8	Confident	81.4	Confident	17 Å²	17	61.9 Å²	61.9	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-49.7	176.6	-74.9	175.2	-47	0	0	111.6	A113 Y114 A119 T120 E121 P124 N128 L317	A113-Q117 WeakPolarHBondContact O-CG 3.21Å; A113-Q117 PolarHBondContact O-N 3.38Å; Y114-Q117 PolarHBondContact O-N 3.5Å; Q117-A119 PolarHBondContact O-N 3.15Å; Q117-A119 VanDerWaalsContact O-N 3.12Å; Q117-T120 PolarHBondContact O-N 3Å; Q117-E121 PolarHBondContact O-N 3.15Å; Q117-P124 HydrophobicContact CB-CB 4.27Å; Q117-N128 PolarHBondContact OE1-ND2 3.13Å; Q117-L317 HydrophobicContact CG-CD2 3.91Å
118	A	85.2	Confident	81	Confident	49 Å²	49	62.8 Å²	62.8	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-66.1	-12.6	178.4	0	0	0	0	0	114.7	Y114 P124	Y114-A118 HydrophobicContact CE1-CB 4.49Å; Y114-A118 WeakPolarHBondContact O-CB 3.33Å; Y114-A118 PolarHBondContact O-N 3.24Å; A118-P124 HydrophobicContact CB-CB 4.16Å; A118-P124 HydrophobicContact CB-CG 3.84Å
119	A	84.9	Confident	80.8	Confident	87 Å²	87	60.2 Å²	60.2	72%	0.719	35%	0.349	S	S	*	.	H	α-helix	trans	-96.1	-9.3	171.5	0	0	0	0	0	113.5	A115 I116 Q117	A115-A119 WeakPolarHBondContact O-CB 3.27Å; A115-A119 PolarHBondContact O-N 3.29Å; I116-A119 PolarHBondContact O-N 2.84Å; Q117-A119 PolarHBondContact O-N 3.15Å; Q117-A119 VanDerWaalsContact O-N 3.12Å
120	T	80.4	Confident	80.8	Confident	108 Å²	108	65.8 Å²	65.8	66%	0.663	37%	0.368	S	S	*	.	H	α-helix	trans	-119.1	-29.2	-172	-48	0	0	0	0	113	I116 Q117	I116-T120 WeakPolarHBondContact O-CB 3.46Å; I116-T120 PolarHBondContact O-N 3.43Å; I116-T120 PolarHBondContact O-OG1 3.19Å; Q117-T120 PolarHBondContact O-N 3Å
121	E	75.6	Confident	80.6	Confident	84 Å²	84	66.7 Å²	66.7	39%	0.393	37%	0.373	S	S	.	.			trans	-118.4	139.7	-177	-64.5	173.1	-163.6	0	0	110.8	Q117 D123	Q117-E121 PolarHBondContact O-N 3.15Å; E121-D123 VanDerWaalsContact C-N 3.32Å; E121-D123 PolarHBondContact O-N 3.42Å
122	D	67.4	Low	80.5	Confident	183 Å²	183	63 Å²	63	98%	0.979	36%	0.357	S	S	*	.	S	Bend	trans	-70.5	-23.3	-179.2	-74.1	-42.3	0	0	0	113.8
123	D	67.7	Low	80.7	Confident	121 Å²	121	62.7 Å²	62.7	65%	0.647	36%	0.355	S	S	*	.	S	Bend	trans	-136.9	76.3	178.8	-172.5	28.6	0	0	0	111.4	E121 R892	E121-D123 VanDerWaalsContact C-N 3.32Å; E121-D123 PolarHBondContact O-N 3.42Å; D123-R892 PolarHBondContact O-NH1 3.13Å
124	P	71.4	Confident	80.9	Confident	27 Å²	27	65.6 Å²	65.6	18%	0.175	37%	0.372	C	S	.	.			trans	-72.6	130.1	-173.3	30.4	-36.9	0	0	0	111.3	Y114 Q117 A118 G126	Y114-P124 HydrophobicContact CE2-CB 4.3Å; Y114-P124 HydrophobicContact CE2-CG 4.4Å; Q117-P124 HydrophobicContact CB-CB 4.27Å; A118-P124 HydrophobicContact CB-CB 4.16Å; A118-P124 HydrophobicContact CB-CG 3.84Å; P124-G126 PolarHBondContact O-N 3.19Å
125	P	72.4	Confident	80.9	Confident	32 Å²	32	62.8 Å²	62.8	21%	0.208	36%	0.361	C	S	.	.			trans	-62.1	130.4	177.5	25.4	-32.3	0	0	0	111.3	D127	P125-D127 PolarHBondContact O-N 2.83Å; P125-D127 VanDerWaalsContact O-N 3.09Å
126	G	78.2	Confident	81.1	Confident	22 Å²	22	61 Å²	61	23%	0.227	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.3	-178.7	0	0	0	0	0	115	P124 N128 L129 Y130	P124-G126 PolarHBondContact O-N 3.19Å; G126-N128 PolarHBondContact O-N 2.65Å; G126-L129 WeakPolarHBondContact O-CA 3.46Å; G126-L129 WeakPolarHBondContact O-CB 3.4Å; G126-L129 PolarHBondContact O-N 2.67Å; G126-Y130 WeakPolarHBondContact O-CD2 3.1Å; G126-Y130 PolarHBondContact O-N 3.09Å
127	D	76.7	Confident	81.4	Confident	60 Å²	60	59.7 Å²	59.7	32%	0.321	35%	0.346	S	S	.	.	H	α-helix	trans	-51.5	-48.3	-172.6	-60.4	16.3	0	0	0	112.9	P125 L129 Y130 L131 R978	P125-D127 PolarHBondContact O-N 2.83Å; P125-D127 VanDerWaalsContact O-N 3.09Å; D127-L129 VanDerWaalsContact C-N 3.35Å; D127-L129 PolarHBondContact O-N 3.04Å; D127-Y130 PolarHBondContact O-N 2.66Å; D127-L131 VanDerWaalsContact O-CB 3.28Å; D127-L131 WeakPolarHBondContact O-CB 3.29Å; D127-L131 PolarHBondContact O-N 3.04Å; D127-R978 IonicContact OD1-CZ 2.69Å; D127-R978 IonicContact OD1-NH1 3.05Å; D127-R978 IonicContact OD1-NH2 3.03Å; D127-R978 PolarHBondContact OD1-NH2 3.48Å; D127-R978 IonicContact OD2-CZ 3.68Å; D127-R978 IonicContact OD2-NH1 3.95Å; D127-R978 PolarHBondContact OD2-NH1 3.29Å; D127-R978 IonicContact OD2-NH2 2.71Å; D127-R978 PolarHBondContact OD2-NH2 2.96Å
128	N	80.1	Confident	81.6	Confident	18 Å²	18	59.6 Å²	59.6	10%	0.096	35%	0.346	C	S	.	.	H	α-helix	trans	-68.1	-32.8	178.7	-76.9	-33.5	0	0	0	112.4	C110 Q117 G126 G132	C110-N128 WeakPolarHBondContact CB-O 3.29Å; Q117-N128 PolarHBondContact OE1-ND2 3.13Å; G126-N128 PolarHBondContact O-N 2.65Å; N128-G132 PolarHBondContact O-N 3.5Å
129	L	87.1	Confident	81.8	Confident	53 Å²	53	57.3 Å²	57.3	28%	0.277	33%	0.327	S	S	.	.	H	α-helix	trans	-68.6	-48.4	174.6	179.3	65.5	0	0	0	111	F111 Y114 G126 D127 G132 I133	F111-L129 HydrophobicContact CD1-CD1 4.16Å; F111-L129 HydrophobicContact CE1-CD1 4.1Å; Y114-L129 HydrophobicContact CD1-CB 3.95Å; Y114-L129 HydrophobicContact CD1-CD1 4.07Å; Y114-L129 HydrophobicContact CD1-CG 4.41Å; Y114-L129 HydrophobicContact CD2-CB 3.88Å; Y114-L129 HydrophobicContact CE1-CB 4.08Å; Y114-L129 HydrophobicContact CE1-CD1 4.17Å; Y114-L129 HydrophobicContact CE1-CD2 3.94Å; Y114-L129 HydrophobicContact CE1-CG 4.28Å; Y114-L129 HydrophobicContact CE2-CB 4.02Å; Y114-L129 HydrophobicContact CG-CB 3.85Å; G126-L129 WeakPolarHBondContact O-CA 3.46Å; G126-L129 WeakPolarHBondContact O-CB 3.4Å; G126-L129 PolarHBondContact O-N 2.67Å; D127-L129 VanDerWaalsContact C-N 3.35Å; D127-L129 PolarHBondContact O-N 3.04Å; L129-G132 PolarHBondContact O-N 3.21Å; L129-I133 HydrophobicContact CD1-CD1 4.23Å; L129-I133 HydrophobicContact CG-CD1 4.07Å; L129-I133 VanDerWaalsContact O-CG1 3.3Å; L129-I133 WeakPolarHBondContact O-CG1 3.44Å; L129-I133 PolarHBondContact O-N 2.94Å
130	Y	85.1	Confident	82.1	Confident	159 Å²	159	56.1 Å²	56.1	62%	0.624	31%	0.311	S	S	*	.	H	α-helix	trans	-61.8	-44.4	177.2	-71.9	-63.3	0	0	0	111.6	G126 D127 G132 I133 V134	G126-Y130 WeakPolarHBondContact O-CD2 3.1Å; G126-Y130 PolarHBondContact O-N 3.09Å; D127-Y130 PolarHBondContact O-N 2.66Å; Y130-G132 PolarHBondContact O-N 2.84Å; Y130-I133 PolarHBondContact O-N 3.3Å; Y130-V134 WeakPolarHBondContact O-CG2 3.39Å; Y130-V134 PolarHBondContact O-N 2.73Å
131	L	81.8	Confident	82.4	Confident	19 Å²	19	55.7 Å²	55.7	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-45.6	176.8	-177.5	61.3	0	0	0	111.7	D127 I133 V134 L135 T803 L807	D127-L131 VanDerWaalsContact O-CB 3.28Å; D127-L131 WeakPolarHBondContact O-CB 3.29Å; D127-L131 PolarHBondContact O-N 3.04Å; L131-I133 VanDerWaalsContact C-N 3.33Å; L131-I133 PolarHBondContact O-N 3Å; L131-V134 PolarHBondContact O-N 2.76Å; L131-L135 HydrophobicContact CD1-CD1 4.21Å; L131-L135 HydrophobicContact CD1-CG 4.11Å; L131-L135 HydrophobicContact CG-CD1 4.11Å; L131-L135 HydrophobicContact CG-CG 4.4Å; L131-L135 WeakPolarHBondContact O-CB 3.31Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 2.87Å; L131-T803 HydrophobicContact CD1-CG2 3.67Å; L131-T803 HydrophobicContact CD2-CG2 3.87Å; L131-T803 HydrophobicContact CG-CG2 4.45Å; L131-L807 HydrophobicContact CD1-CD1 3.87Å
132	G	87.8	Confident	82.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-40	175.7	0	0	0	0	0	113.3	F111 N128 L129 Y130 S136	F111-G132 WeakPolarHBondContact CZ-O 3.41Å; N128-G132 PolarHBondContact O-N 3.5Å; L129-G132 PolarHBondContact O-N 3.21Å; Y130-G132 PolarHBondContact O-N 2.84Å; G132-S136 WeakPolarHBondContact O-CB 3.37Å; G132-S136 PolarHBondContact O-N 3.2Å; G132-S136 VanDerWaalsContact O-N 3.1Å; G132-S136 PolarHBondContact O-OG 2.86Å
133	I	90.9	Very high	83.4	Confident	86 Å²	86	43.9 Å²	43.9	44%	0.441	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-46.5	174.7	-68.5	166.6	0	0	0	110.9	F111 L129 Y130 L131 S136 A137	F111-I133 HydrophobicContact CE1-CG1 4.04Å; F111-I133 HydrophobicContact CZ-CG1 4.25Å; L129-I133 HydrophobicContact CD1-CD1 4.23Å; L129-I133 HydrophobicContact CG-CD1 4.07Å; L129-I133 VanDerWaalsContact O-CG1 3.3Å; L129-I133 WeakPolarHBondContact O-CG1 3.44Å; L129-I133 PolarHBondContact O-N 2.94Å; Y130-I133 PolarHBondContact O-N 3.3Å; L131-I133 VanDerWaalsContact C-N 3.33Å; L131-I133 PolarHBondContact O-N 3Å; I133-S136 PolarHBondContact O-N 2.93Å; I133-A137 WeakPolarHBondContact O-CB 3.23Å; I133-A137 PolarHBondContact O-N 2.59Å
134	V	87.2	Confident	84.3	Confident	62 Å²	62	40 Å²	40	38%	0.376	23%	0.23	S	C	.	.	H	α-helix	trans	-64.7	-48.6	-178.8	172.9	0	0	0	0	110.9	Y130 L131 S136 A137 V138 L807	Y130-V134 WeakPolarHBondContact O-CG2 3.39Å; Y130-V134 PolarHBondContact O-N 2.73Å; L131-V134 PolarHBondContact O-N 2.76Å; V134-S136 VanDerWaalsContact C-N 3.3Å; V134-S136 PolarHBondContact O-N 2.96Å; V134-A137 CarbonylContact O-C 3.33Å; V134-A137 WeakPolarHBondContact O-CB 3.33Å; V134-A137 PolarHBondContact O-N 2.9Å; V134-V138 HydrophobicContact CG1-CG2 4.29Å; V134-V138 VanDerWaalsContact O-CG2 3.31Å; V134-V138 WeakPolarHBondContact O-CG2 3.34Å; V134-V138 PolarHBondContact O-N 3.22Å; V134-L807 HydrophobicContact CG1-CD1 3.87Å
135	L	86	Confident	84.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.7	-41.9	176.5	-66.9	177.2	0	0	0	111.8	L103 A107 L131 A137 V138 V139 V328 L807	L103-L135 HydrophobicContact CD2-CD2 4.28Å; A107-L135 HydrophobicContact CB-CB 3.95Å; L131-L135 HydrophobicContact CD1-CD1 4.21Å; L131-L135 HydrophobicContact CD1-CG 4.11Å; L131-L135 HydrophobicContact CG-CD1 4.11Å; L131-L135 HydrophobicContact CG-CG 4.4Å; L131-L135 WeakPolarHBondContact O-CB 3.31Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 2.87Å; L135-A137 PolarHBondContact O-N 2.87Å; L135-V138 PolarHBondContact O-N 2.8Å; L135-V139 WeakPolarHBondContact O-CG2 3.2Å; L135-V139 PolarHBondContact O-N 3.47Å; L135-V139 VanDerWaalsContact O-N 3.14Å; L135-V328 HydrophobicContact CD1-CG2 3.96Å; L135-L807 HydrophobicContact CD2-CD2 4.39Å
136	S	91.4	Very high	84.8	Confident	20 Å²	20	41.9 Å²	41.9	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-42	174.3	-57.6	0	0	0	0	112	G132 I133 V134 V139 V140	G132-S136 WeakPolarHBondContact O-CB 3.37Å; G132-S136 PolarHBondContact O-N 3.2Å; G132-S136 VanDerWaalsContact O-N 3.1Å; G132-S136 PolarHBondContact O-OG 2.86Å; I133-S136 PolarHBondContact O-N 2.93Å; V134-S136 VanDerWaalsContact C-N 3.3Å; V134-S136 PolarHBondContact O-N 2.96Å; S136-V139 PolarHBondContact O-N 2.73Å; S136-V140 WeakPolarHBondContact O-CG2 3.45Å; S136-V140 PolarHBondContact O-N 2.94Å; S136-V140 VanDerWaalsContact O-N 3.12Å
137	A	90.6	Very high	85	Confident	47 Å²	47	43.1 Å²	43.1	39%	0.388	23%	0.232	S	C	.	.	H	α-helix	trans	-66.5	-39.1	177.4	0	0	0	0	0	112.1	I133 V134 L135 V139 V140 V141	I133-A137 WeakPolarHBondContact O-CB 3.23Å; I133-A137 PolarHBondContact O-N 2.59Å; V134-A137 CarbonylContact O-C 3.33Å; V134-A137 WeakPolarHBondContact O-CB 3.33Å; V134-A137 PolarHBondContact O-N 2.9Å; L135-A137 PolarHBondContact O-N 2.87Å; A137-V139 PolarHBondContact O-N 2.91Å; A137-V140 PolarHBondContact O-N 3.27Å; A137-V141 WeakPolarHBondContact O-CB 3.49Å; A137-V141 VanDerWaalsContact O-CG2 3.3Å; A137-V141 WeakPolarHBondContact O-CG2 3.18Å; A137-V141 PolarHBondContact O-N 2.81Å
138	V	86.5	Confident	85	Confident	15 Å²	15	47 Å²	47	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-44.6	175.8	169.3	0	0	0	0	111.2	L103 V134 L135 V141 T142 E333 L811	L103-V138 HydrophobicContact CD1-CG1 4.36Å; V134-V138 HydrophobicContact CG1-CG2 4.29Å; V134-V138 VanDerWaalsContact O-CG2 3.31Å; V134-V138 WeakPolarHBondContact O-CG2 3.34Å; V134-V138 PolarHBondContact O-N 3.22Å; L135-V138 PolarHBondContact O-N 2.8Å; V138-V141 PolarHBondContact O-N 2.91Å; V138-T142 VanDerWaalsContact O-CB 3.26Å; V138-T142 WeakPolarHBondContact O-CB 3.46Å; V138-T142 PolarHBondContact O-N 3.17Å; V138-T142 PolarHBondContact O-OG1 2.95Å; V138-E333 HydrophobicContact CG1-CB 4.14Å; V138-E333 HydrophobicContact CG1-CG 4.49Å; V138-L811 HydrophobicContact CG1-CD1 4.25Å; V138-L811 HydrophobicContact CG1-CD2 4.41Å; V138-L811 HydrophobicContact CG2-CD1 3.44Å; V138-L811 VanDerWaalsContact CG2-CD1 3.44Å
139	V	88.7	Confident	84.4	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-42.8	175.9	178.1	0	0	0	0	111.4	L95 L103 W104 L135 S136 A137 G143	L95-V139 HydrophobicContact CD2-CG1 4.31Å; L103-V139 HydrophobicContact CB-CG2 3.46Å; L103-V139 VanDerWaalsContact CB-CG2 3.46Å; L103-V139 HydrophobicContact CD1-CG2 3.92Å; L103-V139 HydrophobicContact CG-CG2 4.35Å; W104-V139 HydrophobicContact CZ2-CB 4.38Å; W104-V139 HydrophobicContact CZ2-CG1 3.99Å; L135-V139 WeakPolarHBondContact O-CG2 3.2Å; L135-V139 PolarHBondContact O-N 3.47Å; L135-V139 VanDerWaalsContact O-N 3.14Å; S136-V139 PolarHBondContact O-N 2.73Å; A137-V139 PolarHBondContact O-N 2.91Å; V139-G143 PolarHBondContact O-N 3.18Å
140	V	90.2	Very high	83.5	Confident	62 Å²	62	48.2 Å²	48.2	38%	0.376	25%	0.251	S	S	.	.	H	α-helix	trans	-66.1	-43.9	178.2	172.1	0	0	0	0	112.1	L95 S136 A137 G143 C144	L95-V140 HydrophobicContact CD2-CG2 4.42Å; S136-V140 WeakPolarHBondContact O-CG2 3.45Å; S136-V140 PolarHBondContact O-N 2.94Å; S136-V140 VanDerWaalsContact O-N 3.12Å; A137-V140 PolarHBondContact O-N 3.27Å; V140-G143 PolarHBondContact O-N 3.11Å; V140-C144 VanDerWaalsContact O-CB 3.32Å; V140-C144 WeakPolarHBondContact O-CB 3.46Å; V140-C144 PolarHBondContact O-N 2.84Å; V140-C144 PolarHBondContact O-SG 2.98Å
141	V	87.2	Confident	82.8	Confident	98 Å²	98	41.7 Å²	41.7	59%	0.594	23%	0.23	S	C	*	.	H	α-helix	trans	-65.4	-44.8	178.6	169.6	0	0	0	0	110.9	A137 V138 C144 F145	A137-V141 WeakPolarHBondContact O-CB 3.49Å; A137-V141 VanDerWaalsContact O-CG2 3.3Å; A137-V141 WeakPolarHBondContact O-CG2 3.18Å; A137-V141 PolarHBondContact O-N 2.81Å; V138-V141 PolarHBondContact O-N 2.91Å; V141-C144 WeakPolarHBondContact O-CB 3.35Å; V141-C144 PolarHBondContact O-N 3.46Å; V141-F145 WeakPolarHBondContact O-CB 3.48Å; V141-F145 PolarHBondContact O-N 2.95Å
142	T	80.4	Confident	82	Confident	17 Å²	17	48 Å²	48	10%	0.104	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-46.6	176.4	-60	0	0	0	0	111.3	V138 C144 F145 S146 L336	V138-T142 VanDerWaalsContact O-CB 3.26Å; V138-T142 WeakPolarHBondContact O-CB 3.46Å; V138-T142 PolarHBondContact O-N 3.17Å; V138-T142 PolarHBondContact O-OG1 2.95Å; T142-C144 PolarHBondContact O-N 3.47Å; T142-F145 PolarHBondContact O-N 3.35Å; T142-S146 PolarHBondContact O-N 3.2Å; T142-S146 PolarHBondContact O-OG 3.49Å; T142-L336 HydrophobicContact CG2-CD2 3.93Å; T142-L336 HydrophobicContact CG2-CG 4.35Å
143	G	84.1	Confident	80.5	Confident	2 Å²	2	49.2 Å²	49.2	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-41	175.8	0	0	0	0	0	113.3	V139 V140 Y147	V139-G143 PolarHBondContact O-N 3.18Å; V140-G143 PolarHBondContact O-N 3.11Å; G143-Y147 VanDerWaalsContact O-CB 3.24Å; G143-Y147 WeakPolarHBondContact O-CB 3.42Å; G143-Y147 PolarHBondContact O-N 3.11Å
144	C	86.9	Confident	79.1	Confident	39 Å²	39	47.6 Å²	47.6	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-59.6	-47.5	171.3	-79.2	0	0	0	0	111.9	V140 V141 T142 Y147 F148	V140-C144 VanDerWaalsContact O-CB 3.32Å; V140-C144 WeakPolarHBondContact O-CB 3.46Å; V140-C144 PolarHBondContact O-N 2.84Å; V140-C144 PolarHBondContact O-SG 2.98Å; V141-C144 WeakPolarHBondContact O-CB 3.35Å; V141-C144 PolarHBondContact O-N 3.46Å; T142-C144 PolarHBondContact O-N 3.47Å; C144-Y147 PolarHBondContact O-N 2.91Å; C144-F148 HydrophobicContact CB-CD2 4.47Å; C144-F148 WeakPolarHBondContact O-CB 3.45Å; C144-F148 WeakPolarHBondContact O-CD2 3.48Å; C144-F148 PolarHBondContact O-N 3.2Å
145	F	78.6	Confident	77.9	Confident	84 Å²	84	51.8 Å²	51.8	37%	0.368	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-50.7	-179.2	-172.9	-95.8	0	0	0	111.6	V141 T142 Y147 F148 Q149 T340 V341	V141-F145 WeakPolarHBondContact O-CB 3.48Å; V141-F145 PolarHBondContact O-N 2.95Å; T142-F145 PolarHBondContact O-N 3.35Å; F145-Y147 PolarHBondContact O-N 2.82Å; F145-F148 PolarHBondContact O-N 3.31Å; F145-Q149 PolarHBondContact O-N 3.25Å; F145-Q149 VanDerWaalsContact O-N 3.16Å; F145-T340 HydrophobicContact CD1-CG2 4.06Å; F145-T340 HydrophobicContact CE1-CG2 3.78Å; F145-V341 HydrophobicContact CE1-CG2 3.85Å; F145-V341 HydrophobicContact CZ-CG2 3.63Å
146	S	75.4	Confident	76.4	Confident	16 Å²	16	55.3 Å²	55.3	11%	0.112	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-46.3	176.9	-63.2	0	0	0	0	112.1	T142 Q149 E150	T142-S146 PolarHBondContact O-N 3.2Å; T142-S146 PolarHBondContact O-OG 3.49Å; S146-Q149 PolarHBondContact O-N 2.89Å; S146-E150 PolarHBondContact O-N 2.64Å; S146-E150 VanDerWaalsContact O-N 3.14Å
147	Y	82.4	Confident	74.5	Confident	47 Å²	47	55.6 Å²	55.6	18%	0.184	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-46.2	177.6	169.9	-101.6	0	0	0	112.9	E87 K90 F91 G143 C144 F145 Q149 E150 A151	E87-Y147 HydrophobicContact CB-CE2 4.45Å; E87-Y147 WeakPolarHBondContact OE2-CE2 3.34Å; E87-Y147 PolarHBondContact OE2-OH 2.85Å; K90-Y147 HydrophobicContact CB-CD2 4.41Å; K90-Y147 HydrophobicContact CB-CE2 4.38Å; F91-Y147 HydrophobicContact CB-CD2 4.01Å; F91-Y147 HydrophobicContact CB-CE2 4.36Å; F91-Y147 HydrophobicContact CB-CG 4.19Å; F91-Y147 HydrophobicContact CD2-CD1 4.04Å; F91-Y147 HydrophobicContact CD2-CD2 4.49Å; F91-Y147 AromaticContact CD2-CG 3.83Å; F91-Y147 HydrophobicContact CD2-CG 3.83Å; F91-Y147 HydrophobicContact CG-CG 4.5Å; G143-Y147 VanDerWaalsContact O-CB 3.24Å; G143-Y147 WeakPolarHBondContact O-CB 3.42Å; G143-Y147 PolarHBondContact O-N 3.11Å; C144-Y147 PolarHBondContact O-N 2.91Å; F145-Y147 PolarHBondContact O-N 2.82Å; Y147-Q149 PolarHBondContact O-N 3.12Å; Y147-E150 PolarHBondContact O-N 3.03Å; Y147-A151 HydrophobicContact CE1-CB 4.35Å; Y147-A151 HydrophobicContact CE2-CB 4.3Å; Y147-A151 VanDerWaalsContact O-CB 3.29Å; Y147-A151 WeakPolarHBondContact O-CB 3.27Å; Y147-A151 PolarHBondContact O-N 3.34Å
148	F	76.9	Confident	72.9	Confident	143 Å²	143	59.2 Å²	59.2	63%	0.627	30%	0.301	S	S	*	.	H	α-helix	trans	-59.9	-31.9	178.1	-87.7	-61.3	0	0	0	112.2	C144 F145 K152	C144-F148 HydrophobicContact CB-CD2 4.47Å; C144-F148 WeakPolarHBondContact O-CB 3.45Å; C144-F148 WeakPolarHBondContact O-CD2 3.48Å; C144-F148 PolarHBondContact O-N 3.2Å; F145-F148 PolarHBondContact O-N 3.31Å; F148-K152 VanDerWaalsContact O-CB 3.26Å; F148-K152 WeakPolarHBondContact O-CB 3.47Å; F148-K152 PolarHBondContact O-N 3.27Å
149	Q	68.3	Low	71	Confident	26 Å²	26	62.7 Å²	62.7	12%	0.121	33%	0.325	C	S	.	.	H	α-helix	trans	-72.6	-43.6	178.2	-137.3	173.3	-99	0	0	112.4	F145 S146 Y147 S153 T340 T344 L360	F145-Q149 PolarHBondContact O-N 3.25Å; F145-Q149 VanDerWaalsContact O-N 3.16Å; S146-Q149 PolarHBondContact O-N 2.89Å; Y147-Q149 PolarHBondContact O-N 3.12Å; Q149-S153 PolarHBondContact O-N 3.31Å; Q149-T340 VanDerWaalsContact NE2-CG2 3.25Å; Q149-T340 PolarHBondContact NE2-O 2.98Å; Q149-T344 PolarHBondContact NE2-OG1 2.78Å; Q149-T344 PolarHBondContact OE1-OG1 3.29Å; Q149-L360 HydrophobicContact CB-CD1 4.04Å; Q149-L360 HydrophobicContact CG-CD1 3.86Å; Q149-L360 HydrophobicContact CG-CD2 4.48Å
150	E	67.9	Low	68.9	Low	70 Å²	70	67.3 Å²	67.3	33%	0.327	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-45.2	174.5	-166.8	-177.2	168.7	0	0	111.7	Q94 S146 Y147 S153 S154	Q94-E150 PolarHBondContact NE2-OE2 3.49Å; S146-E150 PolarHBondContact O-N 2.64Å; S146-E150 VanDerWaalsContact O-N 3.14Å; Y147-E150 PolarHBondContact O-N 3.03Å; E150-S153 PolarHBondContact O-N 2.8Å; E150-S154 PolarHBondContact O-N 2.99Å; E150-S154 VanDerWaalsContact O-N 3.15Å; E150-S154 PolarHBondContact O-OG 3.12Å
151	A	69.3	Low	66.8	Low	22 Å²	22	69.8 Å²	69.8	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-65.5	-41	179.4	0	0	0	0	0	112.7	Y147 S153 S154 K155	Y147-A151 HydrophobicContact CE1-CB 4.35Å; Y147-A151 HydrophobicContact CE2-CB 4.3Å; Y147-A151 VanDerWaalsContact O-CB 3.29Å; Y147-A151 WeakPolarHBondContact O-CB 3.27Å; Y147-A151 PolarHBondContact O-N 3.34Å; A151-S153 VanDerWaalsContact C-N 3.28Å; A151-S153 PolarHBondContact O-N 2.99Å; A151-S154 PolarHBondContact O-N 2.95Å; A151-K155 WeakPolarHBondContact O-CB 3.43Å; A151-K155 PolarHBondContact O-N 2.83Å
152	K	64.8	Low	64.4	Low	152 Å²	152	71.9 Å²	71.9	66%	0.661	36%	0.359	S	S	*	.	H	α-helix	trans	-61.1	-38.6	178.5	179.5	169.5	-178.2	169.5	0	112.2	F148	F148-K152 VanDerWaalsContact O-CB 3.26Å; F148-K152 WeakPolarHBondContact O-CB 3.47Å; F148-K152 PolarHBondContact O-N 3.27Å
153	S	56.5	Low	62.3	Low	25 Å²	25	77.8 Å²	77.8	18%	0.175	39%	0.387	C	S	.	.	H	α-helix	trans	-70.5	-43.7	178.5	-154.2	0	0	0	0	111.7	Q149 E150 A151 K155 I156 V357 K358	Q149-S153 PolarHBondContact O-N 3.31Å; E150-S153 PolarHBondContact O-N 2.8Å; A151-S153 VanDerWaalsContact C-N 3.28Å; A151-S153 PolarHBondContact O-N 2.99Å; S153-K155 VanDerWaalsContact C-N 3.29Å; S153-K155 PolarHBondContact O-N 3.21Å; S153-I156 PolarHBondContact O-N 3.46Å; S153-V357 PolarHBondContact OG-O 3.43Å; S153-K358 WeakPolarHBondContact CB-O 3.22Å; S153-K358 WeakPolarHBondContact OG-CA 3.38Å; S153-K358 PolarHBondContact OG-O 3.09Å
154	S	62.8	Low	60.1	Low	52 Å²	52	83 Å²	83	36%	0.364	42%	0.418	S	S	.	.	H	α-helix	trans	-57.2	-40.8	175.1	-59.7	0	0	0	0	112.5	E150 A151 I156 M157	E150-S154 PolarHBondContact O-N 2.99Å; E150-S154 VanDerWaalsContact O-N 3.15Å; E150-S154 PolarHBondContact O-OG 3.12Å; A151-S154 PolarHBondContact O-N 2.95Å; S154-I156 VanDerWaalsContact C-N 3.32Å; S154-I156 PolarHBondContact O-N 2.97Å; S154-M157 WeakPolarHBondContact O-CB 3.2Å; S154-M157 PolarHBondContact O-N 3.12Å; S154-M157 VanDerWaalsContact O-N 3.08Å
155	K	61.1	Low	58.3	Low	150 Å²	150	86.5 Å²	86.5	65%	0.652	44%	0.44	S	S	*	.	H	α-helix	trans	-68.2	-25.5	-175.8	-161.8	168.6	-170.7	170.9	0	114.5	A151 S153 M157 E158	A151-K155 WeakPolarHBondContact O-CB 3.43Å; A151-K155 PolarHBondContact O-N 2.83Å; S153-K155 VanDerWaalsContact C-N 3.29Å; S153-K155 PolarHBondContact O-N 3.21Å; K155-M157 PolarHBondContact O-N 3.15Å; K155-E158 PolarHBondContact O-N 3.2Å
156	I	54.2	Low	57.9	Low	73 Å²	73	85.9 Å²	85.9	37%	0.374	44%	0.439	S	S	.	.	H	α-helix	trans	-67.6	-28	173.8	-65.4	170.6	0	0	0	110.7	S153 S154 S159 F160 L356	S153-I156 PolarHBondContact O-N 3.46Å; S154-I156 VanDerWaalsContact C-N 3.32Å; S154-I156 PolarHBondContact O-N 2.97Å; I156-S159 PolarHBondContact O-OG 3.21Å; I156-F160 HydrophobicContact CG2-CE2 4.48Å; I156-F160 VanDerWaalsContact O-CD2 3.27Å; I156-F160 WeakPolarHBondContact O-CD2 3.35Å; I156-F160 WeakPolarHBondContact O-CE2 3.43Å; I156-L356 HydrophobicContact CG2-CD2 4.29Å
157	M	51.9	Low	58.4	Low	26 Å²	26	91 Å²	91	13%	0.128	46%	0.461	C	S	.	.	H	α-helix	trans	-76.1	-35.1	177.9	-168.7	52.6	52	0	0	112.6	S154 K155 S159 F160 K358 Q743 I748	S154-M157 WeakPolarHBondContact O-CB 3.2Å; S154-M157 PolarHBondContact O-N 3.12Å; S154-M157 VanDerWaalsContact O-N 3.08Å; K155-M157 PolarHBondContact O-N 3.15Å; M157-S159 VanDerWaalsContact C-N 3.27Å; M157-S159 PolarHBondContact O-N 2.75Å; M157-F160 PolarHBondContact O-N 2.79Å; M157-F160 VanDerWaalsContact O-N 3.09Å; M157-K358 HydrophobicContact CE-CD 3.76Å; M157-K358 HydrophobicContact CE-CG 4.25Å; M157-Q743 HydrophobicContact CG-CG 4.22Å; M157-Q743 HydrophobicContact SD-CG 3.82Å; M157-I748 HydrophobicContact CE-CD1 3.63Å
158	E	57	Low	58.8	Low	124 Å²	124	89 Å²	89	58%	0.579	45%	0.454	S	S	*	.	H	α-helix	trans	-62.8	-32.1	179.5	-68.8	-170.7	138.5	0	0	113	K155 F160 K161	K155-E158 PolarHBondContact O-N 3.2Å; E158-F160 PolarHBondContact O-N 2.8Å; E158-F160 VanDerWaalsContact O-N 3.13Å; E158-K161 PolarHBondContact O-N 3Å; E158-K161 VanDerWaalsContact O-N 3.1Å
159	S	47.4	Very low	59.6	Low	87 Å²	87	83.9 Å²	83.9	61%	0.608	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16	174.9	31.5	0	0	0	0	114.7	I156 M157	I156-S159 PolarHBondContact O-OG 3.21Å; M157-S159 VanDerWaalsContact C-N 3.27Å; M157-S159 PolarHBondContact O-N 2.75Å
160	F	43	Very low	60.9	Low	99 Å²	99	82.7 Å²	82.7	43%	0.434	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-13.6	175.4	-68	-82.5	0	0	0	113.9	I156 M157 E158 N162	I156-F160 HydrophobicContact CG2-CE2 4.48Å; I156-F160 VanDerWaalsContact O-CD2 3.27Å; I156-F160 WeakPolarHBondContact O-CD2 3.35Å; I156-F160 WeakPolarHBondContact O-CE2 3.43Å; M157-F160 PolarHBondContact O-N 2.79Å; M157-F160 VanDerWaalsContact O-N 3.09Å; E158-F160 PolarHBondContact O-N 2.8Å; E158-F160 VanDerWaalsContact O-N 3.13Å; F160-N162 VanDerWaalsContact C-N 3.26Å; F160-N162 PolarHBondContact O-N 3.1Å
161	K	47	Very low	62.1	Low	113 Å²	113	79.5 Å²	79.5	49%	0.491	41%	0.413	S	S	.	.	S	Bend	trans	-72.2	-13.2	-176.3	-80.8	-171.6	171.1	-176.6	0	115	E158	E158-K161 PolarHBondContact O-N 3Å; E158-K161 VanDerWaalsContact O-N 3.1Å
162	N	36.6	Very low	63.3	Low	143 Å²	143	79.3 Å²	79.3	77%	0.765	41%	0.407	S	S	*	.			trans	-106.2	75.2	-171.9	-68.2	-19.6	0	0	0	112.2	F160	F160-N162 VanDerWaalsContact C-N 3.26Å; F160-N162 PolarHBondContact O-N 3.1Å
163	M	35.6	Very low	64.6	Low	140 Å²	140	76.9 Å²	76.9	69%	0.69	40%	0.398	S	S	*	.			trans	-135.1	120	167.1	-80.4	-164.4	-72.8	0	0	113.9
164	V	38.8	Very low	66.2	Low	111 Å²	111	77.8 Å²	77.8	67%	0.673	41%	0.411	S	S	*	.			trans	54.5	100.5	162.7	-166.6	0	0	0	0	116.7
165	P	49.2	Very low	67.5	Low	113 Å²	113	82.6 Å²	82.6	73%	0.734	43%	0.428	S	S	*	.			trans	-61.2	138.3	165.5	27.9	-34.2	0	0	0	110.1
166	Q	70.3	Confident	69	Low	71 Å²	71	80.7 Å²	80.7	33%	0.332	42%	0.42	S	S	.	.			trans	-104.4	139.9	-171	-55.5	-157.6	-35	0	0	111	A181	Q166-A181 HydrophobicContact CB-CB 4.29Å; Q166-A181 VanDerWaalsContact O-CB 3.29Å; Q166-A181 WeakPolarHBondContact O-CB 3.42Å; Q166-A181 PolarHBondContact O-N 3.13Å
167	Q	85.5	Confident	70.9	Confident	125 Å²	125	80.3 Å²	80.3	58%	0.584	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	146.2	175.8	-68.4	-167.5	-25.1	0	0	111.2	Q178 I179	Q167-Q178 HydrophobicContact CB-CG 3.96Å; Q167-Q178 VanDerWaalsContact OE1-CD 3.31Å; Q167-I179 CarbonylContact C-O 3.45Å; Q167-I179 WeakPolarHBondContact CA-O 3.45Å; Q167-I179 WeakPolarHBondContact CB-O 3.48Å
168	A	90.6	Very high	72.7	Confident	3 Å²	3	85.4 Å²	85.4	3%	0.025	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.8	178.2	0	0	0	0	0	110.6	V170 Q178 I179 V184 P199	A168-V170 HydrophobicContact CB-CG1 4.35Å; A168-Q178 WeakPolarHBondContact O-CA 3.35Å; A168-I179 PolarHBondContact N-O 3.4Å; A168-I179 PolarHBondContact O-N 3.12Å; A168-V184 HydrophobicContact CB-CG2 3.64Å; A168-P199 HydrophobicContact CB-CB 3.74Å; A168-P199 HydrophobicContact CB-CG 3.91Å
169	L	93.9	Very high	74.4	Confident	37 Å²	37	80.1 Å²	80.1	19%	0.194	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	104.9	172.7	-178.1	67.1	0	0	0	109.4	K176 E191	L169-K176 HydrophobicContact CD1-CB 4.28Å; L169-E191 HydrophobicContact CD2-CB 4.2Å; L169-E191 HydrophobicContact CD2-CG 4.47Å; L169-E191 HydrophobicContact CG-CB 4.49Å; L169-E191 PolarHBondContact O-N 2.98Å
170	V	95	Very high	76.5	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	158.2	-179.6	-51.8	0	0	0	0	111.6	A168 R172 K176 M177 I179 V184 L189 V190	A168-V170 HydrophobicContact CB-CG1 4.35Å; V170-R172 HydrophobicContact CG2-CG 4.17Å; V170-K176 WeakPolarHBondContact O-CA 3.29Å; V170-M177 HydrophobicContact CG2-CG 3.47Å; V170-M177 VanDerWaalsContact CG2-CG 3.47Å; V170-M177 HydrophobicContact CG2-SD 4.13Å; V170-M177 PolarHBondContact N-O 2.99Å; V170-M177 PolarHBondContact O-N 2.94Å; V170-I179 HydrophobicContact CB-CD1 4.4Å; V170-I179 HydrophobicContact CG1-CD1 3.81Å; V170-I179 HydrophobicContact CG1-CG1 4.03Å; V170-I179 HydrophobicContact CG2-CD1 3.66Å; V170-I179 HydrophobicContact CG2-CG1 3.93Å; V170-I179 HydrophobicContact CG2-CG2 4.42Å; V170-V184 HydrophobicContact CG1-CG2 4.17Å; V170-L189 CarbonylContact C-O 3.57Å; V170-L189 WeakPolarHBondContact CA-O 3.25Å; V170-V190 HydrophobicContact CG1-CG2 4.25Å
171	I	94.7	Very high	78.7	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.021	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.6	172	-60.7	171.2	0	0	0	107.3	E175 K176 L189	I171-E175 WeakPolarHBondContact CA-O 3.24Å; I171-K176 HydrophobicContact CD1-CG 4.45Å; I171-K176 HydrophobicContact CG1-CG 3.94Å; I171-L189 HydrophobicContact CB-CB 4.22Å; I171-L189 HydrophobicContact CB-CD2 4.03Å; I171-L189 HydrophobicContact CB-CG 4.1Å; I171-L189 HydrophobicContact CD1-CD2 4Å; I171-L189 HydrophobicContact CD1-CG 4.17Å; I171-L189 HydrophobicContact CG2-CD2 4.15Å; I171-L189 PolarHBondContact N-O 3.27Å
172	R	93.8	Very high	80.7	Confident	18 Å²	18	74.3 Å²	74.3	7%	0.068	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.7	174.5	-68.1	-179	-179.1	159.5	1.2	108.6	Q60 L62 A67 V170 G174 E175 M177 Q183 D188	Q60-R172 CarbonylContact O-C 3.48Å; L62-R172 CarbonylContact O-C 3.53Å; L62-R172 WeakPolarHBondContact O-CA 3.15Å; L62-R172 VanDerWaalsContact O-CB 3.29Å; L62-R172 WeakPolarHBondContact O-CB 3.47Å; A67-R172 VanDerWaalsContact CB-CZ 3.48Å; V170-R172 HydrophobicContact CG2-CG 4.17Å; R172-G174 PolarHBondContact O-N 3.19Å; R172-E175 PolarHBondContact N-O 3.48Å; R172-E175 VanDerWaalsContact N-O 3.1Å; R172-E175 PolarHBondContact O-N 2.8Å; R172-M177 HydrophobicContact CB-SD 3.89Å; R172-M177 HydrophobicContact CG-SD 4.2Å; R172-Q183 PolarHBondContact NH2-O 2.97Å; R172-D188 IonicContact CZ-OD1 3.54Å; R172-D188 IonicContact CZ-OD2 3.58Å; R172-D188 IonicContact NE-OD1 2.82Å; R172-D188 PolarHBondContact NE-OD1 2.75Å; R172-D188 IonicContact NE-OD2 3.64Å; R172-D188 IonicContact NH2-OD1 3.4Å; R172-D188 PolarHBondContact NH2-OD1 3.41Å; R172-D188 IonicContact NH2-OD2 2.7Å; R172-D188 PolarHBondContact NH2-OD2 3.04Å
173	E	91.9	Very high	83.4	Confident	101 Å²	101	72 Å²	72	47%	0.472	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	24.9	-177.1	-58.3	177.9	170.9	0	0	113.7	Q60 L62 T63 N64 E175	Q60-E173 PolarHBondContact O-N 3.43Å; L62-E173 PolarHBondContact O-N 3.03Å; T63-E173 WeakPolarHBondContact CA-OE1 3.4Å; T63-E173 WeakPolarHBondContact CB-OE1 3.19Å; T63-E173 HydrophobicContact CG2-CG 4.39Å; N64-E173 PolarHBondContact N-OE1 3.19Å; N64-E173 PolarHBondContact ND2-OE2 3.08Å; E173-E175 VanDerWaalsContact C-N 3.32Å
174	G	89.1	Confident	86.2	Confident	44 Å²	44	65.3 Å²	65.3	45%	0.454	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-6.6	-176	0	0	0	0	0	115.6	Q60 R172	Q60-G174 PolarHBondContact O-N 2.99Å; R172-G174 PolarHBondContact O-N 3.19Å
175	E	91.8	Very high	88.8	Confident	152 Å²	152	60.1 Å²	60.1	71%	0.71	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	142.7	179.2	-63.7	-163.9	162.3	0	0	112.1	I171 R172 E173	I171-E175 WeakPolarHBondContact CA-O 3.24Å; R172-E175 PolarHBondContact N-O 3.48Å; R172-E175 VanDerWaalsContact N-O 3.1Å; R172-E175 PolarHBondContact O-N 2.8Å; E173-E175 VanDerWaalsContact C-N 3.32Å
176	K	92.5	Very high	91	Very high	111 Å²	111	55.2 Å²	55.2	48%	0.483	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117.1	172.9	-73.4	-177.4	-178.5	-170.3	0	109.5	L169 V170 I171 E191	L169-K176 HydrophobicContact CD1-CB 4.28Å; V170-K176 WeakPolarHBondContact O-CA 3.29Å; I171-K176 HydrophobicContact CD1-CG 4.45Å; I171-K176 HydrophobicContact CG1-CG 3.94Å; K176-E191 WeakPolarHBondContact CE-OE1 3.43Å; K176-E191 WeakPolarHBondContact CE-OE2 3.32Å; K176-E191 IonicContact NZ-OE1 2.76Å; K176-E191 PolarHBondContact NZ-OE1 3.06Å; K176-E191 IonicContact NZ-OE2 3.82Å; K176-E191 PolarHBondContact NZ-OE2 3.32Å
177	M	92.4	Very high	92	Very high	64 Å²	64	51.8 Å²	51.8	32%	0.315	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.4	179.6	64.3	-170.9	-44.6	0	0	111.1	V170 R172 I179	V170-M177 HydrophobicContact CG2-CG 3.47Å; V170-M177 VanDerWaalsContact CG2-CG 3.47Å; V170-M177 HydrophobicContact CG2-SD 4.13Å; V170-M177 PolarHBondContact N-O 2.99Å; V170-M177 PolarHBondContact O-N 2.94Å; R172-M177 HydrophobicContact CB-SD 3.89Å; R172-M177 HydrophobicContact CG-SD 4.2Å; M177-I179 HydrophobicContact CE-CG2 3.93Å; M177-I179 HydrophobicContact CG-CG2 4.01Å; M177-I179 HydrophobicContact SD-CG2 4.32Å
178	Q	91.4	Very high	92.5	Very high	134 Å²	134	45.9 Å²	45.9	63%	0.626	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	113.8	176.1	-168.1	169.9	7.2	0	0	108.2	Q167 A168	Q167-Q178 HydrophobicContact CB-CG 3.96Å; Q167-Q178 VanDerWaalsContact OE1-CD 3.31Å; A168-Q178 WeakPolarHBondContact O-CA 3.35Å
179	I	92.4	Very high	92.7	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	168.4	-175.6	61.8	169.3	0	0	0	110.6	Q167 A168 V170 M177 Q183 V184	Q167-I179 CarbonylContact C-O 3.45Å; Q167-I179 WeakPolarHBondContact CA-O 3.45Å; Q167-I179 WeakPolarHBondContact CB-O 3.48Å; A168-I179 PolarHBondContact N-O 3.4Å; A168-I179 PolarHBondContact O-N 3.12Å; V170-I179 HydrophobicContact CB-CD1 4.4Å; V170-I179 HydrophobicContact CG1-CD1 3.81Å; V170-I179 HydrophobicContact CG1-CG1 4.03Å; V170-I179 HydrophobicContact CG2-CD1 3.66Å; V170-I179 HydrophobicContact CG2-CG1 3.93Å; V170-I179 HydrophobicContact CG2-CG2 4.42Å; M177-I179 HydrophobicContact CE-CG2 3.93Å; M177-I179 HydrophobicContact CG-CG2 4.01Å; M177-I179 HydrophobicContact SD-CG2 4.32Å; I179-Q183 HydrophobicContact CD1-CB 4.08Å; I179-V184 HydrophobicContact CD1-CG2 4.12Å
180	D	90.8	Very high	92.8	Very high	56 Å²	56	44 Å²	44	30%	0.299	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.7	168	-157.3	-49.8	0	0	0	110.1	E182 Q183	D180-E182 PolarHBondContact O-N 3.06Å; D180-E182 PolarHBondContact OD1-N 3.32Å; D180-E182 VanDerWaalsContact OD1-N 3.17Å; D180-Q183 HydrophobicContact CB-CG 4.24Å; D180-Q183 PolarHBondContact O-N 3.24Å
181	A	89.2	Confident	92.7	Very high	14 Å²	14	44.5 Å²	44.5	12%	0.116	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-59.1	-27.7	177.8	0	0	0	0	0	112.3	N77 Q166 Q183 V184 P199	N77-A181 WeakPolarHBondContact CB-O 3.34Å; N77-A181 PolarHBondContact ND2-O 3.44Å; Q166-A181 HydrophobicContact CB-CB 4.29Å; Q166-A181 VanDerWaalsContact O-CB 3.29Å; Q166-A181 WeakPolarHBondContact O-CB 3.42Å; Q166-A181 PolarHBondContact O-N 3.13Å; A181-Q183 PolarHBondContact O-N 3.5Å; A181-V184 WeakPolarHBondContact O-CB 3.43Å; A181-V184 WeakPolarHBondContact O-CG2 3.19Å; A181-V184 PolarHBondContact O-N 2.87Å; A181-P199 HydrophobicContact CB-CB 4.49Å
182	E	90.3	Very high	92.7	Very high	106 Å²	106	44.5 Å²	44.5	50%	0.495	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-65.2	-21.5	175.1	-62.4	-169.5	173.2	0	0	113.5	P76 N77 A78 D180	P76-E182 CarbonylContact C-O 3.59Å; P76-E182 WeakPolarHBondContact CA-O 3.33Å; P76-E182 HydrophobicContact CB-CB 4.33Å; N77-E182 PolarHBondContact N-O 3.08Å; A78-E182 HydrophobicContact CB-CG 4.31Å; D180-E182 PolarHBondContact O-N 3.06Å; D180-E182 PolarHBondContact OD1-N 3.32Å; D180-E182 VanDerWaalsContact OD1-N 3.17Å
183	Q	92.5	Very high	92.5	Very high	94 Å²	94	47.9 Å²	47.9	44%	0.439	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-93.3	3	-177.8	-63.4	179.4	8.8	0	0	114	R172 I179 D180 A181	R172-Q183 PolarHBondContact NH2-O 2.97Å; I179-Q183 HydrophobicContact CD1-CB 4.08Å; D180-Q183 HydrophobicContact CB-CG 4.24Å; D180-Q183 PolarHBondContact O-N 3.24Å; A181-Q183 PolarHBondContact O-N 3.5Å
184	V	93.8	Very high	92.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.			trans	-75.5	136	175.4	177.7	0	0	0	0	109.7	N77 A168 V170 I179 A181 A200 V257	N77-V184 HydrophobicContact CB-CB 4.31Å; N77-V184 WeakPolarHBondContact CB-O 3.37Å; A168-V184 HydrophobicContact CB-CG2 3.64Å; V170-V184 HydrophobicContact CG1-CG2 4.17Å; I179-V184 HydrophobicContact CD1-CG2 4.12Å; A181-V184 WeakPolarHBondContact O-CB 3.43Å; A181-V184 WeakPolarHBondContact O-CG2 3.19Å; A181-V184 PolarHBondContact O-N 2.87Å; V184-A200 HydrophobicContact CG1-CB 4.21Å; V184-V257 HydrophobicContact CG1-CG1 4.46Å; V184-V257 HydrophobicContact CG1-CG2 3.64Å
185	V	95	Very high	91.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	25%	0.249	C	C	.	.			trans	-126.3	159.8	-178.2	-61.8	0	0	0	0	112.5	L62 A67 F70 L71 G187 D188 V257	L62-V185 HydrophobicContact CD1-CG2 3.94Å; A67-V185 HydrophobicContact CB-CG2 4.18Å; F70-V185 HydrophobicContact CB-CB 3.98Å; F70-V185 HydrophobicContact CB-CG1 4.25Å; F70-V185 HydrophobicContact CB-CG2 4.05Å; F70-V185 HydrophobicContact CD2-CG2 4.38Å; L71-V185 HydrophobicContact CB-CG1 3.75Å; L71-V185 HydrophobicContact CD1-CG1 4.03Å; V185-G187 PolarHBondContact O-N 2.73Å; V185-D188 WeakPolarHBondContact CG2-OD2 3.21Å; V185-D188 PolarHBondContact N-OD2 3.12Å; V185-D188 WeakPolarHBondContact O-CB 3.36Å; V185-D188 PolarHBondContact O-N 3.09Å; V185-D188 VanDerWaalsContact O-N 3.08Å; V185-V257 WeakPolarHBondContact O-CB 3.38Å
186	A	93.4	Very high	91.3	Very high	10 Å²	10	42.1 Å²	42.1	8%	0.083	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	130.4	175.1	0	0	0	0	0	110.8	Y54 F70	Y54-A186 HydrophobicContact CD1-CB 4.17Å; Y54-A186 HydrophobicContact CE1-CB 4.03Å; F70-A186 WeakPolarHBondContact CD2-O 3.38Å
187	G	92.7	Very high	90.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-11.2	-172.4	0	0	0	0	0	115.8	T56 V185 V257	T56-G187 WeakPolarHBondContact CB-O 3.38Å; T56-G187 WeakPolarHBondContact CG2-O 3.48Å; T56-G187 PolarHBondContact OG1-O 3.31Å; V185-G187 PolarHBondContact O-N 2.73Å; G187-V257 PolarHBondContact N-O 2.97Å
188	D	94.4	Very high	90.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.			trans	-59.7	146.7	172	-87.4	-37	0	0	0	111.2	R172 V185 I256 V257	R172-D188 IonicContact CZ-OD1 3.54Å; R172-D188 IonicContact CZ-OD2 3.58Å; R172-D188 IonicContact NE-OD1 2.82Å; R172-D188 PolarHBondContact NE-OD1 2.75Å; R172-D188 IonicContact NE-OD2 3.64Å; R172-D188 IonicContact NH2-OD1 3.4Å; R172-D188 PolarHBondContact NH2-OD1 3.41Å; R172-D188 IonicContact NH2-OD2 2.7Å; R172-D188 PolarHBondContact NH2-OD2 3.04Å; V185-D188 WeakPolarHBondContact CG2-OD2 3.21Å; V185-D188 PolarHBondContact N-OD2 3.12Å; V185-D188 WeakPolarHBondContact O-CB 3.36Å; V185-D188 PolarHBondContact O-N 3.09Å; V185-D188 VanDerWaalsContact O-N 3.08Å; D188-I256 CarbonylContact O-C 3.58Å; D188-I256 WeakPolarHBondContact O-CA 3.32Å; D188-V257 HydrophobicContact CB-CG2 3.91Å; D188-V257 PolarHBondContact O-N 3.22Å
189	L	95.5	Very high	90.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.1	170.1	178.5	59.3	0	0	0	108.8	V170 I171 I205 R254 I256	V170-L189 CarbonylContact C-O 3.57Å; V170-L189 WeakPolarHBondContact CA-O 3.25Å; I171-L189 HydrophobicContact CB-CB 4.22Å; I171-L189 HydrophobicContact CB-CD2 4.03Å; I171-L189 HydrophobicContact CB-CG 4.1Å; I171-L189 HydrophobicContact CD1-CD2 4Å; I171-L189 HydrophobicContact CD1-CG 4.17Å; I171-L189 HydrophobicContact CG2-CD2 4.15Å; I171-L189 PolarHBondContact N-O 3.27Å; L189-I205 HydrophobicContact CD1-CD1 3.66Å; L189-I205 HydrophobicContact CD1-CG1 4.36Å; L189-R254 HydrophobicContact CD1-CB 4.25Å; L189-I256 HydrophobicContact CD1-CG1 4.47Å
190	V	95.3	Very high	90.8	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.3	-176.8	-175.2	0	0	0	0	109.7	V170 V192 P199 L202 R254 G255 V257	V170-V190 HydrophobicContact CG1-CG2 4.25Å; V190-V192 HydrophobicContact CG1-CG1 4.01Å; V190-P199 HydrophobicContact CG1-CG 3.79Å; V190-L202 HydrophobicContact CB-CD1 4.03Å; V190-L202 HydrophobicContact CB-CD2 4.04Å; V190-L202 HydrophobicContact CG1-CD1 4.11Å; V190-L202 HydrophobicContact CG2-CD2 3.84Å; V190-R254 VanDerWaalsContact O-CA 3.24Å; V190-R254 WeakPolarHBondContact O-CA 3.34Å; V190-G255 PolarHBondContact N-O 3.23Å; V190-G255 PolarHBondContact O-N 2.91Å; V190-V257 HydrophobicContact CG2-CG2 3.53Å
191	E	94.8	Very high	91	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.047	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.4	169.7	-173.8	177.6	98.4	0	0	109.7	L169 K176 K193 A253 R254	L169-E191 HydrophobicContact CD2-CB 4.2Å; L169-E191 HydrophobicContact CD2-CG 4.47Å; L169-E191 HydrophobicContact CG-CB 4.49Å; L169-E191 PolarHBondContact O-N 2.98Å; K176-E191 WeakPolarHBondContact CE-OE1 3.43Å; K176-E191 WeakPolarHBondContact CE-OE2 3.32Å; K176-E191 IonicContact NZ-OE1 2.76Å; K176-E191 PolarHBondContact NZ-OE1 3.06Å; K176-E191 IonicContact NZ-OE2 3.82Å; K176-E191 PolarHBondContact NZ-OE2 3.32Å; E191-K193 VanDerWaalsContact OE1-CE 3.26Å; E191-K193 WeakPolarHBondContact OE1-CE 3.43Å; E191-K193 IonicContact OE1-NZ 3.12Å; E191-A253 WeakPolarHBondContact CA-O 3.34Å; E191-R254 HydrophobicContact CB-CG 4.16Å; E191-R254 HydrophobicContact CG-CG 4.07Å; E191-R254 IonicContact OE2-CZ 3.29Å; E191-R254 VanDerWaalsContact OE2-CZ 3.29Å; E191-R254 IonicContact OE2-NE 2.89Å; E191-R254 PolarHBondContact OE2-NE 3.37Å; E191-R254 IonicContact OE2-NH2 2.79Å; E191-R254 PolarHBondContact OE2-NH2 2.76Å
192	V	93.3	Very high	91.2	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.1	178.8	-60.7	0	0	0	0	110.9	V190 I198 L202 T252 A253	V190-V192 HydrophobicContact CG1-CG1 4.01Å; V192-I198 HydrophobicContact CB-CD1 4.01Å; V192-I198 HydrophobicContact CG1-CD1 3.82Å; V192-I198 HydrophobicContact CG2-CD1 3.83Å; V192-L202 HydrophobicContact CG1-CD1 4.24Å; V192-T252 VanDerWaalsContact O-CA 3.29Å; V192-T252 WeakPolarHBondContact O-CA 3.21Å; V192-T252 PolarHBondContact O-OG1 2.73Å; V192-A253 HydrophobicContact CG2-CB 4Å; V192-A253 PolarHBondContact N-O 2.94Å; V192-A253 PolarHBondContact O-N 3.07Å
193	K	90.2	Very high	91.5	Very high	90 Å²	90	24.1 Å²	24.1	39%	0.391	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.5	-178.9	-59.8	167.8	-171.9	162.1	0	110.5	E191 G195 D196 C248	E191-K193 VanDerWaalsContact OE1-CE 3.26Å; E191-K193 WeakPolarHBondContact OE1-CE 3.43Å; E191-K193 IonicContact OE1-NZ 3.12Å; K193-G195 PolarHBondContact O-N 3.11Å; K193-G195 VanDerWaalsContact O-N 3.17Å; K193-D196 WeakPolarHBondContact CB-OD2 3.5Å; K193-D196 PolarHBondContact N-OD2 3.17Å; K193-D196 VanDerWaalsContact O-CB 3.32Å; K193-D196 WeakPolarHBondContact O-CB 3.18Å; K193-D196 PolarHBondContact O-N 3.15Å; K193-C248 VanDerWaalsContact C-SG 3.6Å; K193-C248 WeakPolarHBondContact O-CB 3.35Å
194	G	83.6	Confident	91.6	Very high	40 Å²	40	19.7 Å²	19.7	41%	0.412	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	119.5	173.6	0	0	0	0	0	112.3	C248 G251	G194-C248 WeakPolarHBondContact CA-O 3.49Å; G194-G251 PolarHBondContact N-O 3.44Å
195	G	79.4	Confident	91.7	Very high	69 Å²	69	21.1 Å²	21.1	71%	0.711	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	109.3	-23.9	-171.7	0	0	0	0	0	114.3	K193 C248	K193-G195 PolarHBondContact O-N 3.11Å; K193-G195 VanDerWaalsContact O-N 3.17Å; G195-C248 PolarHBondContact N-O 2.91Å
196	D	84.1	Confident	91.6	Very high	66 Å²	66	23.1 Å²	23.1	35%	0.353	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-81.1	146.2	-179.1	-58.5	-29.4	0	0	0	111.7	K193 C248	K193-D196 WeakPolarHBondContact CB-OD2 3.5Å; K193-D196 PolarHBondContact N-OD2 3.17Å; K193-D196 VanDerWaalsContact O-CB 3.32Å; K193-D196 WeakPolarHBondContact O-CB 3.18Å; K193-D196 PolarHBondContact O-N 3.15Å; D196-C248 WeakPolarHBondContact O-CB 3.04Å; D196-C248 PolarHBondContact O-N 3.45Å
197	R	85.4	Confident	91.6	Very high	101 Å²	101	24 Å²	24	38%	0.381	15%	0.147	S	C	.	.	B	Isolated β-bridge	trans	-87.3	141.6	167.8	-165.2	172	-166.2	-163.8	11.1	110.1	P199 S245 T246 N247	R197-P199 WeakPolarHBondContact O-CD 3.37Å; R197-S245 PolarHBondContact NE-O 2.98Å; R197-S245 PolarHBondContact NH2-OG 2.97Å; R197-T246 VanDerWaalsContact CG-O 3.29Å; R197-T246 WeakPolarHBondContact CG-O 3.44Å; R197-N247 VanDerWaalsContact CG-OD1 3.3Å; R197-N247 WeakPolarHBondContact CG-OD1 3.27Å
198	I	91.3	Very high	91.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-72.6	118	179.8	-55.9	-56.6	0	0	0	109.1	V192 A200 L202 V212 A242 F243 S245 T246 C248	V192-I198 HydrophobicContact CB-CD1 4.01Å; V192-I198 HydrophobicContact CG1-CD1 3.82Å; V192-I198 HydrophobicContact CG2-CD1 3.83Å; I198-A200 VanDerWaalsContact CG2-O 3.23Å; I198-A200 WeakPolarHBondContact CG2-O 3.41Å; I198-L202 HydrophobicContact CG2-CD1 4.06Å; I198-L202 HydrophobicContact CG2-CG 4.07Å; I198-V212 HydrophobicContact CD1-CG1 4.36Å; I198-V212 HydrophobicContact CG1-CG1 4.49Å; I198-A242 HydrophobicContact CD1-CB 4.33Å; I198-A242 HydrophobicContact CG1-CB 4.3Å; I198-A242 HydrophobicContact CG2-CB 4.13Å; I198-F243 WeakPolarHBondContact CB-O 3.46Å; I198-F243 WeakPolarHBondContact CG2-O 3.45Å; I198-S245 PolarHBondContact O-N 2.83Å; I198-T246 WeakPolarHBondContact CB-O 3.12Å; I198-T246 WeakPolarHBondContact CG1-O 3.35Å; I198-T246 WeakPolarHBondContact CG1-OG1 3.35Å; I198-T246 PolarHBondContact N-O 2.89Å; I198-C248 HydrophobicContact CD1-CB 4.29Å
199	P	90.9	Very high	91	Very high	8 Å²	8	33.2 Å²	33.2	5%	0.052	21%	0.206	C	C	.	.			trans	-82.9	-17.4	-165.7	32	-36.8	0	0	0	114.7	N77 A168 A181 V190 R197 F244	N77-P199 PolarHBondContact ND2-O 2.66Å; A168-P199 HydrophobicContact CB-CB 3.74Å; A168-P199 HydrophobicContact CB-CG 3.91Å; A181-P199 HydrophobicContact CB-CB 4.49Å; V190-P199 HydrophobicContact CG1-CG 3.79Å; R197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-F244 VanDerWaalsContact O-CD2 3.24Å; P199-F244 WeakPolarHBondContact O-CD2 3.48Å
200	A	91.8	Very high	90.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-159.4	173.5	179.5	0	0	0	0	0	108.7	V184 I198 L202 V257 T260	V184-A200 HydrophobicContact CG1-CB 4.21Å; I198-A200 VanDerWaalsContact CG2-O 3.23Å; I198-A200 WeakPolarHBondContact CG2-O 3.41Å; A200-L202 HydrophobicContact CB-CD2 4.5Å; A200-L202 WeakPolarHBondContact O-CG 3.33Å; A200-L202 PolarHBondContact O-N 2.92Å; A200-V257 HydrophobicContact CB-CG1 3.71Å; A200-V257 HydrophobicContact CB-CG2 4.35Å; A200-T260 HydrophobicContact CB-CG2 4.39Å
201	D	93.5	Very high	90.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.1	173.3	-68.6	-18.9	0	0	0	109.6	A242 F243 F244 V257 V258 C259 T264 V265	D201-A242 CarbonylContact C-O 3.57Å; D201-A242 WeakPolarHBondContact CA-O 3.17Å; D201-F243 VanDerWaalsContact OD1-CA 3.31Å; D201-F243 WeakPolarHBondContact OD1-CA 3.47Å; D201-F244 PolarHBondContact OD1-N 2.81Å; D201-V257 WeakPolarHBondContact O-CA 3.41Å; D201-V258 HydrophobicContact CB-CG2 3.95Å; D201-V258 WeakPolarHBondContact O-CG2 3.43Å; D201-V258 PolarHBondContact O-N 3.25Å; D201-C259 HydrophobicContact CB-CB 4.05Å; D201-C259 PolarHBondContact N-O 2.8Å; D201-T264 HydrophobicContact CB-CG2 4.44Å; D201-T264 WeakPolarHBondContact OD2-CA 3.48Å; D201-T264 WeakPolarHBondContact OD2-CB 3.3Å; D201-V265 PolarHBondContact OD2-N 3.21Å
202	L	94.8	Very high	90	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.8	-173	-52.1	-176.4	0	0	0	112.3	V190 V192 I198 A200 I204 I241 A242 I256 V257	V190-L202 HydrophobicContact CB-CD1 4.03Å; V190-L202 HydrophobicContact CB-CD2 4.04Å; V190-L202 HydrophobicContact CG1-CD1 4.11Å; V190-L202 HydrophobicContact CG2-CD2 3.84Å; V192-L202 HydrophobicContact CG1-CD1 4.24Å; I198-L202 HydrophobicContact CG2-CD1 4.06Å; I198-L202 HydrophobicContact CG2-CG 4.07Å; A200-L202 HydrophobicContact CB-CD2 4.5Å; A200-L202 WeakPolarHBondContact O-CG 3.33Å; A200-L202 PolarHBondContact O-N 2.92Å; L202-I204 HydrophobicContact CB-CD1 4.38Å; L202-I241 CarbonylContact O-C 3.55Å; L202-I241 VanDerWaalsContact O-CA 3.29Å; L202-I241 WeakPolarHBondContact O-CA 3.19Å; L202-A242 HydrophobicContact CB-CB 4.48Å; L202-A242 PolarHBondContact N-O 2.82Å; L202-A242 PolarHBondContact O-N 3.02Å; L202-I256 CarbonylContact C-O 3.48Å; L202-I256 WeakPolarHBondContact CA-O 3.33Å; L202-V257 HydrophobicContact CD2-CB 4.29Å; L202-V257 HydrophobicContact CD2-CG2 3.63Å
203	R	95.5	Very high	89.6	Confident	11 Å²	11	37 Å²	37	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	108.2	163	176.6	66	175.3	87.2	-1.9	109.6	E42 M45 V50 I205 P228 N240 I241 G255 I256 V258	E42-R203 WeakPolarHBondContact O-CD 3.37Å; E42-R203 PolarHBondContact O-NE 3.24Å; M45-R203 PolarHBondContact O-NH2 2.99Å; V50-R203 HydrophobicContact CG1-CG 4.44Å; V50-R203 HydrophobicContact CG2-CG 4.43Å; R203-I205 PolarHBondContact O-N 2.82Å; R203-P228 PolarHBondContact NH1-O 3.38Å; R203-P228 PolarHBondContact NH2-O 2.7Å; R203-N240 PolarHBondContact NH1-ND2 3.4Å; R203-N240 PolarHBondContact NH2-ND2 2.93Å; R203-I241 HydrophobicContact CB-CD1 4.3Å; R203-G255 CarbonylContact O-C 3.29Å; R203-G255 WeakPolarHBondContact O-CA 3.22Å; R203-I256 PolarHBondContact N-O 2.88Å; R203-I256 PolarHBondContact O-N 3.15Å; R203-V258 HydrophobicContact CB-CG1 3.68Å
204	I	96.1	Very high	89.3	Confident	1 Å²	1	33 Å²	33	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.7	-176.7	-56.2	-56.8	0	0	0	110.3	L202 R226 P228 N240 A242 A253	L202-I204 HydrophobicContact CB-CD1 4.38Å; I204-R226 HydrophobicContact CG1-CB 4.43Å; I204-P228 WeakPolarHBondContact O-CA 3.45Å; I204-N240 PolarHBondContact N-O 3.11Å; I204-A242 HydrophobicContact CD1-CB 3.95Å; I204-A242 HydrophobicContact CG1-CB 4.48Å; I204-A253 HydrophobicContact CD1-CB 4.28Å; I204-A253 HydrophobicContact CG2-CB 4.43Å
205	I	94.8	Very high	88.9	Confident	30 Å²	30	32.1 Å²	32.1	15%	0.154	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-21.5	177	64.6	168.7	0	0	0	112.5	V47 I58 L189 R203 P228 R254 I256	V47-I205 HydrophobicContact CG1-CB 4.34Å; V47-I205 HydrophobicContact CG1-CG2 3.79Å; V47-I205 HydrophobicContact CG2-CG2 4.28Å; I58-I205 HydrophobicContact CB-CD1 4.44Å; L189-I205 HydrophobicContact CD1-CD1 3.66Å; L189-I205 HydrophobicContact CD1-CG1 4.36Å; R203-I205 PolarHBondContact O-N 2.82Å; I205-P228 WeakPolarHBondContact O-CG 3.24Å; I205-R254 HydrophobicContact CG1-CB 4.25Å; I205-R254 PolarHBondContact N-O 3.12Å; I205-I256 HydrophobicContact CD1-CG1 4.49Å; I205-I256 HydrophobicContact CG2-CD1 3.94Å; I205-I256 HydrophobicContact CG2-CG1 4.11Å
206	S	93.1	Very high	88.5	Confident	43 Å²	43	30 Å²	30	30%	0.301	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	138.6	177.9	-179.3	0	0	0	0	109.4	A253 R254	S206-A253 CarbonylContact O-C 3.51Å; S206-A253 VanDerWaalsContact O-CA 3.29Å; S206-A253 WeakPolarHBondContact O-CA 3.32Å; S206-A253 WeakPolarHBondContact O-CB 3.33Å; S206-R254 PolarHBondContact N-O 3.38Å; S206-R254 PolarHBondContact O-N 3.06Å
207	S	93.3	Very high	88.1	Confident	28 Å²	28	27.4 Å²	27.4	20%	0.196	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147.1	170.4	65.4	0	0	0	0	111.5	R226 S227 T252	S207-R226 WeakPolarHBondContact CB-O 3.38Å; S207-R226 PolarHBondContact OG-O 3.14Å; S207-S227 WeakPolarHBondContact OG-CA 3.46Å; S207-T252 WeakPolarHBondContact CA-O 3.24Å
208	H	89.9	Confident	87.7	Confident	136 Å²	136	23.9 Å²	23.9	63%	0.63	14%	0.144	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	103.8	173.7	-71.6	65.2	0	0	0	107.8	C210 G251 T252	H208-C210 PolarHBondContact O-N 2.84Å; H208-G251 WeakPolarHBondContact O-CA 3.32Å; H208-T252 HydrophobicContact CB-CG2 4.09Å; H208-T252 PolarHBondContact N-O 3.38Å; H208-T252 PolarHBondContact O-N 3.39Å
209	G	84.4	Confident	86.6	Confident	59 Å²	59	24 Å²	24	61%	0.608	15%	0.145	S	C	*	.	E	Extended strand (participates in β ladder)	trans	59.2	18.1	-179.1	0	0	0	0	0	115.2	K211	G209-K211 PolarHBondContact O-N 2.88Å
210	C	89.1	Confident	85.8	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.9	-173.1	-176.6	0	0	0	0	111.8	H208 T225 R226 C248 E250 A253	H208-C210 PolarHBondContact O-N 2.84Å; C210-T225 WeakPolarHBondContact O-CA 3.33Å; C210-R226 HydrophobicContact CB-CB 4.35Å; C210-R226 PolarHBondContact O-N 2.92Å; C210-C248 VanDerWaalsContact SG-SG 3.67Å; C210-E250 WeakPolarHBondContact CA-O 3.42Å; C210-A253 HydrophobicContact CB-CB 3.89Å
211	K	87.8	Confident	84.6	Confident	54 Å²	54	26.5 Å²	26.5	24%	0.235	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.3	167	-56.9	-173.7	-171.2	148.3	0	110.2	G209 P223 Q224 V249 E250	G209-K211 PolarHBondContact O-N 2.88Å; K211-P223 HydrophobicContact CB-CB 3.79Å; K211-P223 HydrophobicContact CD-CB 3.96Å; K211-Q224 WeakPolarHBondContact CA-O 3.25Å; K211-V249 PolarHBondContact O-N 3.43Å; K211-E250 HydrophobicContact CB-CG 4.11Å; K211-E250 HydrophobicContact CD-CG 4.24Å; K211-E250 WeakPolarHBondContact CD-OE1 3.46Å; K211-E250 WeakPolarHBondContact CE-OE1 3.32Å; K211-E250 HydrophobicContact CG-CG 4.12Å; K211-E250 PolarHBondContact N-O 2.91Å; K211-E250 VanDerWaalsContact N-O 3.11Å; K211-E250 IonicContact NZ-OE1 2.69Å; K211-E250 PolarHBondContact NZ-OE1 2.78Å
212	V	88.3	Confident	83.7	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.8	177	-62.8	0	0	0	0	111.2	I198 N214 P223 Q224 R226 N247	I198-V212 HydrophobicContact CD1-CG1 4.36Å; I198-V212 HydrophobicContact CG1-CG1 4.49Å; V212-N214 WeakPolarHBondContact CG2-OD1 3.38Å; V212-P223 CarbonylContact O-C 3.58Å; V212-P223 WeakPolarHBondContact O-CA 3.45Å; V212-Q224 PolarHBondContact N-O 3.35Å; V212-Q224 PolarHBondContact O-N 2.86Å; V212-R226 HydrophobicContact CB-CG 4.37Å; V212-R226 HydrophobicContact CG1-CG 3.79Å; V212-R226 HydrophobicContact CG2-CG 3.74Å; V212-N247 CarbonylContact C-O 3.54Å; V212-N247 VanDerWaalsContact CA-O 3.23Å; V212-N247 WeakPolarHBondContact CA-O 3.2Å
213	D	83.6	Confident	83.1	Confident	38 Å²	38	32.5 Å²	32.5	20%	0.203	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	106.6	171.3	175.7	7.9	0	0	0	109.3	S215 T246 N247 V249	D213-S215 VanDerWaalsContact CG-OG 3.27Å; D213-S215 WeakPolarHBondContact OD1-CB 3.16Å; D213-S215 PolarHBondContact OD1-N 3.3Å; D213-S215 PolarHBondContact OD1-OG 3.2Å; D213-S215 PolarHBondContact OD2-OG 3.47Å; D213-T246 WeakPolarHBondContact O-CB 3.28Å; D213-N247 PolarHBondContact N-O 2.95Å; D213-V249 HydrophobicContact CB-CG2 3.67Å
214	N	84.4	Confident	82.6	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	20%	0.202	C	C	.	.			trans	-92.2	8.6	-179.5	-77.3	-8.5	0	0	0	113.1	V212 S216 L217 T218	V212-N214 WeakPolarHBondContact CG2-OD1 3.38Å; N214-S216 PolarHBondContact O-N 3.49Å; N214-L217 PolarHBondContact O-N 2.91Å; N214-T218 HydrophobicContact CB-CG2 4.37Å; N214-T218 PolarHBondContact O-N 2.89Å; N214-T218 PolarHBondContact O-OG1 3.03Å
215	S	75.1	Confident	82.3	Confident	22 Å²	22	37.7 Å²	37.7	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-48.1	-37.8	-176.8	54.5	0	0	0	0	114	D213 L217 G219 E220 S221	D213-S215 VanDerWaalsContact CG-OG 3.27Å; D213-S215 WeakPolarHBondContact OD1-CB 3.16Å; D213-S215 PolarHBondContact OD1-N 3.3Å; D213-S215 PolarHBondContact OD1-OG 3.2Å; D213-S215 PolarHBondContact OD2-OG 3.47Å; S215-L217 VanDerWaalsContact C-N 3.26Å; S215-L217 PolarHBondContact O-N 2.76Å; S215-G219 WeakPolarHBondContact O-CA 3.47Å; S215-G219 PolarHBondContact O-N 2.72Å; S215-E220 VanDerWaalsContact CA-O 3.28Å; S215-E220 WeakPolarHBondContact CA-O 3.3Å; S215-E220 PolarHBondContact N-O 3.46Å; S215-E220 VanDerWaalsContact N-O 3.13Å; S215-S221 WeakPolarHBondContact CB-OG 3.29Å
216	S	71.1	Confident	82.2	Confident	25 Å²	25	36.6 Å²	36.6	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-28.6	176.7	-65.1	0	0	0	0	114.5	N214 V718 N719	N214-S216 PolarHBondContact O-N 3.49Å; S216-V718 WeakPolarHBondContact O-CB 3.32Å; S216-V718 PolarHBondContact O-N 2.81Å; S216-N719 PolarHBondContact O-N 2.9Å
217	L	76.8	Confident	82.2	Confident	12 Å²	12	35.5 Å²	35.5	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-102.5	-40.3	-179.7	-77.8	86.4	0	0	0	113.4	N214 S215 L236 F243 T246 V265 M266 N719	N214-L217 PolarHBondContact O-N 2.91Å; S215-L217 VanDerWaalsContact C-N 3.26Å; S215-L217 PolarHBondContact O-N 2.76Å; L217-L236 HydrophobicContact CD2-CD2 4.46Å; L217-F243 HydrophobicContact CD1-CB 4.06Å; L217-F243 HydrophobicContact CD2-CB 3.87Å; L217-F243 HydrophobicContact CD2-CD1 4.09Å; L217-F243 HydrophobicContact CD2-CD2 3.98Å; L217-F243 HydrophobicContact CD2-CG 3.69Å; L217-T246 HydrophobicContact CD1-CG2 3.45Å; L217-T246 VanDerWaalsContact CD1-CG2 3.45Å; L217-V265 HydrophobicContact CD2-CB 4.16Å; L217-V265 HydrophobicContact CD2-CG1 3.6Å; L217-M266 HydrophobicContact CD1-CE 4.06Å; L217-M266 HydrophobicContact CD1-CG 3.75Å; L217-M266 HydrophobicContact CD1-SD 3.64Å; L217-M266 HydrophobicContact CD2-CG 4.34Å; L217-M266 HydrophobicContact CG-CG 4.01Å; L217-M266 HydrophobicContact CG-SD 3.67Å; L217-N719 WeakPolarHBondContact O-CB 3.41Å
218	T	76.1	Confident	82.1	Confident	27 Å²	27	36.4 Å²	36.4	17%	0.166	21%	0.211	C	C	.	.	H	α-helix	trans	-100.5	-18	-174.7	57.4	0	0	0	0	113.2	N214 E220 G617	N214-T218 HydrophobicContact CB-CG2 4.37Å; N214-T218 PolarHBondContact O-N 2.89Å; N214-T218 PolarHBondContact O-OG1 3.03Å; T218-E220 WeakPolarHBondContact OG1-CB 3.49Å; T218-E220 PolarHBondContact OG1-N 2.85Å; T218-E220 VanDerWaalsContact OG1-N 3.11Å; T218-G617 WeakPolarHBondContact O-CA 3.48Å
219	G	69.3	Low	82.2	Confident	3 Å²	3	37 Å²	37	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	71.7	13.9	-163.8	0	0	0	0	0	113	S215 T377 N719	S215-G219 WeakPolarHBondContact O-CA 3.47Å; S215-G219 PolarHBondContact O-N 2.72Å; G219-T377 WeakPolarHBondContact O-CB 3.4Å; G219-T377 VanDerWaalsContact O-CG2 3.32Å; G219-T377 WeakPolarHBondContact O-CG2 3.47Å; G219-T377 PolarHBondContact O-OG1 3.49Å; G219-N719 PolarHBondContact N-ND2 2.94Å
220	E	74	Confident	82.5	Confident	26 Å²	26	37 Å²	37	12%	0.121	20%	0.204	C	C	.	.			trans	-112.9	118.9	179	-60.7	178.6	140.7	0	0	111.5	S215 T218 D618 R691	S215-E220 VanDerWaalsContact CA-O 3.28Å; S215-E220 WeakPolarHBondContact CA-O 3.3Å; S215-E220 PolarHBondContact N-O 3.46Å; S215-E220 VanDerWaalsContact N-O 3.13Å; T218-E220 WeakPolarHBondContact OG1-CB 3.49Å; T218-E220 PolarHBondContact OG1-N 2.85Å; T218-E220 VanDerWaalsContact OG1-N 3.11Å; E220-D618 WeakPolarHBondContact OE1-CA 3.23Å; E220-R691 IonicContact OE1-NH1 2.64Å; E220-R691 PolarHBondContact OE1-NH1 2.95Å; E220-R691 IonicContact OE2-CZ 3.78Å; E220-R691 IonicContact OE2-NH1 3.78Å; E220-R691 PolarHBondContact OE2-NH1 3.4Å; E220-R691 IonicContact OE2-NH2 2.73Å
221	S	65.8	Low	82.5	Confident	35 Å²	35	39.9 Å²	39.9	25%	0.245	22%	0.222	C	C	.	.			trans	-92.5	10.1	179.8	-49.1	0	0	0	0	113.8	S215 P223 N383	S215-S221 WeakPolarHBondContact CB-OG 3.29Å; S221-P223 WeakPolarHBondContact O-CD 3.45Å; S221-N383 VanDerWaalsContact CB-OD1 3.23Å; S221-N383 WeakPolarHBondContact CB-OD1 3.5Å; S221-N383 PolarHBondContact OG-ND2 2.81Å; S221-N383 PolarHBondContact OG-OD1 2.97Å
222	E	74.3	Confident	82.5	Confident	100 Å²	100	41.6 Å²	41.6	47%	0.467	23%	0.23	S	C	.	.	S	Bend	trans	-72.5	121.9	167.6	-179.5	168	-158.2	0	0	109.5	Q224 R550	E222-Q224 PolarHBondContact O-N 3.13Å; E222-Q224 VanDerWaalsContact O-N 3.12Å; E222-Q224 PolarHBondContact O-NE2 2.79Å; E222-Q224 VanDerWaalsContact O-NE2 3.12Å; E222-R550 IonicContact OE1-CZ 2.91Å; E222-R550 IonicContact OE1-NH1 2.89Å; E222-R550 PolarHBondContact OE1-NH1 2.71Å
223	P	81.6	Confident	82.3	Confident	26 Å²	26	47 Å²	47	17%	0.169	26%	0.26	C	S	.	.			trans	-62.8	115.4	-178.4	-23.9	35.3	0	0	0	112.5	K211 V212 S221 V249	K211-P223 HydrophobicContact CB-CB 3.79Å; K211-P223 HydrophobicContact CD-CB 3.96Å; V212-P223 CarbonylContact O-C 3.58Å; V212-P223 WeakPolarHBondContact O-CA 3.45Å; S221-P223 WeakPolarHBondContact O-CD 3.45Å; P223-V249 HydrophobicContact CB-CB 4.26Å; P223-V249 HydrophobicContact CB-CG1 4.42Å; P223-V249 HydrophobicContact CB-CG2 4.06Å; P223-V249 HydrophobicContact CG-CB 4.45Å; P223-V249 HydrophobicContact CG-CG1 4.17Å; P223-V249 HydrophobicContact CG-CG2 4.16Å
224	Q	86	Confident	82.2	Confident	59 Å²	59	47.6 Å²	47.6	28%	0.276	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.1	-175.6	-64.2	-57.9	-43.3	0	0	111.5	K211 V212 E222 R226	K211-Q224 WeakPolarHBondContact CA-O 3.25Å; V212-Q224 PolarHBondContact N-O 3.35Å; V212-Q224 PolarHBondContact O-N 2.86Å; E222-Q224 PolarHBondContact O-N 3.13Å; E222-Q224 VanDerWaalsContact O-N 3.12Å; E222-Q224 PolarHBondContact O-NE2 2.79Å; E222-Q224 VanDerWaalsContact O-NE2 3.12Å; Q224-R226 PolarHBondContact O-N 2.88Å; Q224-R226 PolarHBondContact O-NE 2.9Å
225	T	89.6	Confident	82.3	Confident	62 Å²	62	48 Å²	48	38%	0.38	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	137.6	176.6	-52.6	0	0	0	0	111.9	C210 R239	C210-T225 WeakPolarHBondContact O-CA 3.33Å; T225-R239 WeakPolarHBondContact O-CG 3.08Å
226	R	92.9	Very high	82.7	Confident	6 Å²	6	49.3 Å²	49.3	2%	0.023	27%	0.27	C	S	.	.			trans	-111.2	134.5	174.4	-59.6	-64.3	91.7	-174.6	-4	111.1	I204 S207 C210 V212 Q224 T238 R239 I241	I204-R226 HydrophobicContact CG1-CB 4.43Å; S207-R226 WeakPolarHBondContact CB-O 3.38Å; S207-R226 PolarHBondContact OG-O 3.14Å; C210-R226 HydrophobicContact CB-CB 4.35Å; C210-R226 PolarHBondContact O-N 2.92Å; V212-R226 HydrophobicContact CB-CG 4.37Å; V212-R226 HydrophobicContact CG1-CG 3.79Å; V212-R226 HydrophobicContact CG2-CG 3.74Å; Q224-R226 PolarHBondContact O-N 2.88Å; Q224-R226 PolarHBondContact O-NE 2.9Å; R226-T238 PolarHBondContact NH1-O 3.2Å; R226-R239 CarbonylContact C-O 3.58Å; R226-R239 WeakPolarHBondContact CA-O 3.49Å; R226-R239 WeakPolarHBondContact CD-O 3.36Å; R226-I241 WeakPolarHBondContact CD-O 3.42Å; R226-I241 PolarHBondContact NH1-O 3.19Å
227	S	92.3	Very high	83.3	Confident	21 Å²	21	51.3 Å²	51.3	15%	0.147	28%	0.277	C	S	.	.			trans	-140.8	153.7	-178.8	54.7	0	0	0	0	110.7	S207 E229 R239 N240	S207-S227 WeakPolarHBondContact OG-CA 3.46Å; S227-E229 PolarHBondContact O-N 3.38Å; S227-R239 PolarHBondContact N-O 3.2Å; S227-R239 CarbonylContact O-C 3.57Å; S227-R239 WeakPolarHBondContact OG-CB 3.32Å; S227-N240 WeakPolarHBondContact O-CA 3.41Å; S227-N240 WeakPolarHBondContact O-CB 3.4Å; S227-N240 PolarHBondContact O-N 2.94Å
228	P	92.7	Very high	84	Confident	46 Å²	46	50.7 Å²	50.7	30%	0.299	27%	0.274	S	S	.	.	S	Bend	trans	-66.9	-23.5	-179	-23.2	35.8	0	0	0	115.1	R203 I204 I205 N240	R203-P228 PolarHBondContact NH1-O 3.38Å; R203-P228 PolarHBondContact NH2-O 2.7Å; I204-P228 WeakPolarHBondContact O-CA 3.45Å; I205-P228 WeakPolarHBondContact O-CG 3.24Å; P228-N240 WeakPolarHBondContact O-CB 3.33Å
229	E	90.6	Very high	84.7	Confident	148 Å²	148	55.3 Å²	55.3	69%	0.692	29%	0.288	S	S	*	.	S	Bend	trans	-76.6	139.5	-176.7	-62.2	178.6	176.6	0	0	113.1	S227 T231 N240	S227-E229 PolarHBondContact O-N 3.38Å; E229-T231 PolarHBondContact O-N 3.25Å; E229-N240 WeakPolarHBondContact O-CB 3.3Å
230	C	91.4	Very high	85.9	Confident	59 Å²	59	55.2 Å²	55.2	40%	0.399	29%	0.287	S	S	.	.			trans	-74.4	117	173.9	-169.5	0	0	0	0	109.9	H43 N240	H43-C230 WeakPolarHBondContact O-CB 3.38Å; H43-C230 PolarHBondContact O-SG 3.12Å; C230-N240 VanDerWaalsContact CA-ND2 3.32Å; C230-N240 WeakPolarHBondContact CA-ND2 3.41Å; C230-N240 WeakPolarHBondContact CB-ND2 3.43Å; C230-N240 PolarHBondContact N-ND2 2.89Å
231	T	89.1	Confident	86.9	Confident	64 Å²	64	54 Å²	54	39%	0.393	28%	0.281	S	S	.	.			trans	-107.4	-14.9	-175.9	60.2	0	0	0	0	114	E229 T238 R239	E229-T231 PolarHBondContact O-N 3.25Å; T231-T238 PolarHBondContact N-OG1 3.13Å; T231-T238 VanDerWaalsContact N-OG1 3.12Å; T231-R239 HydrophobicContact CG2-CB 4.11Å; T231-R239 HydrophobicContact CG2-CG 4.1Å; T231-R239 PolarHBondContact OG1-N 2.64Å
232	H	86.7	Confident	88.2	Confident	89 Å²	89	52.3 Å²	52.3	41%	0.412	27%	0.27	S	S	.	.			trans	-150.4	153.4	-179.2	-156.9	-124.8	0	0	0	112	E237	H232-E237 HydrophobicContact CB-CB 4.3Å; H232-E237 IonicContact CE1-OE2 3.96Å; H232-E237 PolarHBondContact CE1-OE2 3.19Å; H232-E237 IonicContact ND1-OE2 2.66Å; H232-E237 PolarHBondContact ND1-OE2 2.83Å; H232-E237 VanDerWaalsContact ND1-OE2 3.12Å
233	D	84.3	Confident	89	Confident	116 Å²	116	47.6 Å²	47.6	62%	0.62	25%	0.248	S	C	*	.	S	Bend	trans	-71.3	-33.7	178.8	-91.1	-41.5	0	0	0	112.7	H43 K44	H43-D233 PolarHBondContact NE2-O 3.43Å; K44-D233 VanDerWaalsContact CE-O 3.27Å; K44-D233 WeakPolarHBondContact CE-O 3.48Å; K44-D233 VanDerWaalsContact CE-OD1 3.31Å; K44-D233 WeakPolarHBondContact CE-OD1 3.35Å; K44-D233 IonicContact NZ-OD1 2.63Å; K44-D233 PolarHBondContact NZ-OD1 3.42Å
234	N	82.4	Confident	89.3	Confident	49 Å²	49	48 Å²	48	26%	0.262	25%	0.247	S	C	.	.	S	Bend	trans	-76.3	121.9	175.4	-177.7	-8.6	0	0	0	109.9	L236 E237 T238	N234-L236 PolarHBondContact O-N 3.23Å; N234-L236 WeakPolarHBondContact OD1-CB 3.29Å; N234-L236 PolarHBondContact OD1-N 3.32Å; N234-E237 PolarHBondContact O-N 3.11Å; N234-E237 VanDerWaalsContact O-N 3.13Å; N234-T238 PolarHBondContact O-N 2.98Å; N234-T238 VanDerWaalsContact O-N 3.15Å
235	P	86.8	Confident	89	Confident	12 Å²	12	45.8 Å²	45.8	8%	0.078	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.7	179.4	24.8	-34.5	0	0	0	113.3	I40 E237 T238 F243	I40-P235 HydrophobicContact CB-CB 3.83Å; I40-P235 HydrophobicContact CB-CG 4.13Å; I40-P235 HydrophobicContact CD1-CB 4.35Å; I40-P235 HydrophobicContact CG2-CB 4.09Å; P235-E237 VanDerWaalsContact C-N 3.29Å; P235-E237 PolarHBondContact O-N 2.85Å; P235-T238 WeakPolarHBondContact O-CG2 3.46Å; P235-F243 WeakPolarHBondContact O-CZ 3.3Å
236	L	83.4	Confident	88.8	Confident	50 Å²	50	42.9 Å²	42.9	26%	0.262	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-25.5	178.5	-60.7	179.1	0	0	0	113.4	L217 N234 F243 V265	L217-L236 HydrophobicContact CD2-CD2 4.46Å; N234-L236 PolarHBondContact O-N 3.23Å; N234-L236 WeakPolarHBondContact OD1-CB 3.29Å; N234-L236 PolarHBondContact OD1-N 3.32Å; L236-F243 HydrophobicContact CD2-CE1 4.14Å; L236-F243 HydrophobicContact CD2-CZ 4Å; L236-V265 HydrophobicContact CD2-CG1 4.01Å; L236-V265 HydrophobicContact CD2-CG2 4.46Å
237	E	83.8	Confident	88.4	Confident	67 Å²	67	46 Å²	46	31%	0.313	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-18.2	-173.8	-62	-169.7	126.6	0	0	113.6	H232 N234 P235 R691	H232-E237 HydrophobicContact CB-CB 4.3Å; H232-E237 IonicContact CE1-OE2 3.96Å; H232-E237 PolarHBondContact CE1-OE2 3.19Å; H232-E237 IonicContact ND1-OE2 2.66Å; H232-E237 PolarHBondContact ND1-OE2 2.83Å; H232-E237 VanDerWaalsContact ND1-OE2 3.12Å; N234-E237 PolarHBondContact O-N 3.11Å; N234-E237 VanDerWaalsContact O-N 3.13Å; P235-E237 VanDerWaalsContact C-N 3.29Å; P235-E237 PolarHBondContact O-N 2.85Å; E237-R691 IonicContact OE1-CZ 3.75Å; E237-R691 IonicContact OE1-NE 2.72Å; E237-R691 PolarHBondContact OE1-NE 3.49Å; E237-R691 IonicContact OE1-NH2 2.66Å; E237-R691 PolarHBondContact OE1-NH2 3.41Å
238	T	90	Very high	88.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.			trans	-63.5	147.9	174.3	-170.9	0	0	0	0	111.5	H43 R226 T231 N234 P235 N240 I241	H43-T238 HydrophobicContact CB-CG2 4.01Å; R226-T238 PolarHBondContact NH1-O 3.2Å; T231-T238 PolarHBondContact N-OG1 3.13Å; T231-T238 VanDerWaalsContact N-OG1 3.12Å; N234-T238 PolarHBondContact O-N 2.98Å; N234-T238 VanDerWaalsContact O-N 3.15Å; P235-T238 WeakPolarHBondContact O-CG2 3.46Å; T238-N240 VanDerWaalsContact C-N 3.32Å; T238-N240 WeakPolarHBondContact CB-OD1 3.5Å; T238-N240 WeakPolarHBondContact CG2-OD1 3.28Å; T238-N240 PolarHBondContact OG1-OD1 3.44Å; T238-I241 HydrophobicContact CG2-CB 4.37Å; T238-I241 HydrophobicContact CG2-CG1 3.94Å
239	R	92.4	Very high	87.8	Confident	124 Å²	124	45.9 Å²	45.9	47%	0.468	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-11	179.7	-65.9	-174.7	-174	160.8	1.1	114.4	T225 R226 S227 T231	T225-R239 WeakPolarHBondContact O-CG 3.08Å; R226-R239 CarbonylContact C-O 3.58Å; R226-R239 WeakPolarHBondContact CA-O 3.49Å; R226-R239 WeakPolarHBondContact CD-O 3.36Å; S227-R239 PolarHBondContact N-O 3.2Å; S227-R239 CarbonylContact O-C 3.57Å; S227-R239 WeakPolarHBondContact OG-CB 3.32Å; T231-R239 HydrophobicContact CG2-CB 4.11Å; T231-R239 HydrophobicContact CG2-CG 4.1Å; T231-R239 PolarHBondContact OG1-N 2.64Å
240	N	94.6	Very high	87.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	11.1	-172.1	70.2	-16.1	0	0	0	115.8	H43 R203 I204 S227 P228 E229 C230 T238	H43-N240 WeakPolarHBondContact CB-OD1 3.36Å; H43-N240 PolarHBondContact O-ND2 2.96Å; R203-N240 PolarHBondContact NH1-ND2 3.4Å; R203-N240 PolarHBondContact NH2-ND2 2.93Å; I204-N240 PolarHBondContact N-O 3.11Å; S227-N240 WeakPolarHBondContact O-CA 3.41Å; S227-N240 WeakPolarHBondContact O-CB 3.4Å; S227-N240 PolarHBondContact O-N 2.94Å; P228-N240 WeakPolarHBondContact O-CB 3.33Å; E229-N240 WeakPolarHBondContact O-CB 3.3Å; C230-N240 VanDerWaalsContact CA-ND2 3.32Å; C230-N240 WeakPolarHBondContact CA-ND2 3.41Å; C230-N240 WeakPolarHBondContact CB-ND2 3.43Å; C230-N240 PolarHBondContact N-ND2 2.89Å; T238-N240 VanDerWaalsContact C-N 3.32Å; T238-N240 WeakPolarHBondContact CB-OD1 3.5Å; T238-N240 WeakPolarHBondContact CG2-OD1 3.28Å; T238-N240 PolarHBondContact OG1-OD1 3.44Å
241	I	94.4	Very high	87.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.4	167.4	-60.3	-64.8	0	0	0	109.3	I40 H43 L202 R203 R226 T238 F243	I40-I241 HydrophobicContact CG2-CD1 4.23Å; H43-I241 HydrophobicContact CB-CD1 3.92Å; H43-I241 HydrophobicContact CB-CG1 3.78Å; L202-I241 CarbonylContact O-C 3.55Å; L202-I241 VanDerWaalsContact O-CA 3.29Å; L202-I241 WeakPolarHBondContact O-CA 3.19Å; R203-I241 HydrophobicContact CB-CD1 4.3Å; R226-I241 WeakPolarHBondContact CD-O 3.42Å; R226-I241 PolarHBondContact NH1-O 3.19Å; T238-I241 HydrophobicContact CG2-CB 4.37Å; T238-I241 HydrophobicContact CG2-CG1 3.94Å; I241-F243 HydrophobicContact CB-CE1 4.38Å; I241-F243 HydrophobicContact CB-CZ 4.15Å; I241-F243 HydrophobicContact CG2-CD1 3.86Å; I241-F243 HydrophobicContact CG2-CE1 3.35Å; I241-F243 HydrophobicContact CG2-CE2 4.25Å; I241-F243 HydrophobicContact CG2-CG 4.48Å; I241-F243 HydrophobicContact CG2-CZ 3.56Å
242	A	93	Very high	87.2	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.5	160.4	0	0	0	0	0	108.7	I198 D201 L202 I204	I198-A242 HydrophobicContact CD1-CB 4.33Å; I198-A242 HydrophobicContact CG1-CB 4.3Å; I198-A242 HydrophobicContact CG2-CB 4.13Å; D201-A242 CarbonylContact C-O 3.57Å; D201-A242 WeakPolarHBondContact CA-O 3.17Å; L202-A242 HydrophobicContact CB-CB 4.48Å; L202-A242 PolarHBondContact N-O 2.82Å; L202-A242 PolarHBondContact O-N 3.02Å; I204-A242 HydrophobicContact CD1-CB 3.95Å; I204-A242 HydrophobicContact CG1-CB 4.48Å
243	F	90.5	Very high	87.6	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.193	C	C	.	.			trans	-108.9	147.8	-168.2	-60.2	-72.3	0	0	0	112.3	I40 I198 D201 L217 P235 L236 I241 T246 V265	I40-F243 HydrophobicContact CD1-CE1 4.47Å; I198-F243 WeakPolarHBondContact CB-O 3.46Å; I198-F243 WeakPolarHBondContact CG2-O 3.45Å; D201-F243 VanDerWaalsContact OD1-CA 3.31Å; D201-F243 WeakPolarHBondContact OD1-CA 3.47Å; L217-F243 HydrophobicContact CD1-CB 4.06Å; L217-F243 HydrophobicContact CD2-CB 3.87Å; L217-F243 HydrophobicContact CD2-CD1 4.09Å; L217-F243 HydrophobicContact CD2-CD2 3.98Å; L217-F243 HydrophobicContact CD2-CG 3.69Å; P235-F243 WeakPolarHBondContact O-CZ 3.3Å; L236-F243 HydrophobicContact CD2-CE1 4.14Å; L236-F243 HydrophobicContact CD2-CZ 4Å; I241-F243 HydrophobicContact CB-CE1 4.38Å; I241-F243 HydrophobicContact CB-CZ 4.15Å; I241-F243 HydrophobicContact CG2-CD1 3.86Å; I241-F243 HydrophobicContact CG2-CE1 3.35Å; I241-F243 HydrophobicContact CG2-CE2 4.25Å; I241-F243 HydrophobicContact CG2-CG 4.48Å; I241-F243 HydrophobicContact CG2-CZ 3.56Å; F243-T246 HydrophobicContact CB-CG2 3.96Å; F243-T246 PolarHBondContact O-N 3.45Å; F243-T246 PolarHBondContact O-OG1 3.07Å; F243-V265 HydrophobicContact CD1-CB 4.18Å; F243-V265 HydrophobicContact CD1-CG2 3.67Å; F243-V265 HydrophobicContact CE1-CG2 3.74Å
244	F	87.5	Confident	88.1	Confident	34 Å²	34	34.7 Å²	34.7	15%	0.149	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	144	168.6	177.9	-128	0	0	0	111	L79 P199 D201 T246 T264 M266	L79-F244 HydrophobicContact CD1-CE1 4.26Å; L79-F244 HydrophobicContact CD2-CE1 4.06Å; L79-F244 HydrophobicContact CG-CE1 4.1Å; P199-F244 VanDerWaalsContact O-CD2 3.24Å; P199-F244 WeakPolarHBondContact O-CD2 3.48Å; D201-F244 PolarHBondContact OD1-N 2.81Å; F244-T246 PolarHBondContact O-N 3.3Å; F244-T264 HydrophobicContact CB-CG2 3.85Å; F244-T264 HydrophobicContact CD1-CG2 4.44Å; F244-T264 HydrophobicContact CG-CG2 4.29Å; F244-M266 HydrophobicContact CD1-CB 3.99Å; F244-M266 WeakPolarHBondContact O-CG 3.38Å
245	S	80.3	Confident	88.7	Confident	12 Å²	12	32.4 Å²	32.4	8%	0.084	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-7.5	179.9	174.6	0	0	0	0	116.5	R197 I198 M266	R197-S245 PolarHBondContact NE-O 2.98Å; R197-S245 PolarHBondContact NH2-OG 2.97Å; I198-S245 PolarHBondContact O-N 2.83Å; S245-M266 WeakPolarHBondContact OG-CE 3.44Å
246	T	86.2	Confident	89.2	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.162	C	C	.	.			trans	-79.2	160.3	172.5	68.5	0	0	0	0	111.9	R197 I198 D213 L217 F243 F244	R197-T246 VanDerWaalsContact CG-O 3.29Å; R197-T246 WeakPolarHBondContact CG-O 3.44Å; I198-T246 WeakPolarHBondContact CB-O 3.12Å; I198-T246 WeakPolarHBondContact CG1-O 3.35Å; I198-T246 WeakPolarHBondContact CG1-OG1 3.35Å; I198-T246 PolarHBondContact N-O 2.89Å; D213-T246 WeakPolarHBondContact O-CB 3.28Å; L217-T246 HydrophobicContact CD1-CG2 3.45Å; L217-T246 VanDerWaalsContact CD1-CG2 3.45Å; F243-T246 HydrophobicContact CB-CG2 3.96Å; F243-T246 PolarHBondContact O-N 3.45Å; F243-T246 PolarHBondContact O-OG1 3.07Å; F244-T246 PolarHBondContact O-N 3.3Å
247	N	84.7	Confident	89.7	Confident	73 Å²	73	29.4 Å²	29.4	39%	0.39	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.2	-179.7	-69.2	-7.5	0	0	0	110.9	R197 V212 D213 V249	R197-N247 VanDerWaalsContact CG-OD1 3.3Å; R197-N247 WeakPolarHBondContact CG-OD1 3.27Å; V212-N247 CarbonylContact C-O 3.54Å; V212-N247 VanDerWaalsContact CA-O 3.23Å; V212-N247 WeakPolarHBondContact CA-O 3.2Å; D213-N247 PolarHBondContact N-O 2.95Å; N247-V249 PolarHBondContact O-N 2.98Å
248	C	87.9	Confident	90.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114.5	165.9	-170.5	0	0	0	0	108.3	K193 G194 G195 D196 I198 C210 E250	K193-C248 VanDerWaalsContact C-SG 3.6Å; K193-C248 WeakPolarHBondContact O-CB 3.35Å; G194-C248 WeakPolarHBondContact CA-O 3.49Å; G195-C248 PolarHBondContact N-O 2.91Å; D196-C248 WeakPolarHBondContact O-CB 3.04Å; D196-C248 PolarHBondContact O-N 3.45Å; I198-C248 HydrophobicContact CD1-CB 4.29Å; C210-C248 VanDerWaalsContact SG-SG 3.67Å; C248-E250 PolarHBondContact SG-O 2.8Å
249	V	83.2	Confident	90.3	Very high	61 Å²	61	27.7 Å²	27.7	37%	0.37	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-46.7	-176.1	-179.8	0	0	0	0	110.5	K211 D213 P223 N247	K211-V249 PolarHBondContact O-N 3.43Å; D213-V249 HydrophobicContact CB-CG2 3.67Å; P223-V249 HydrophobicContact CB-CB 4.26Å; P223-V249 HydrophobicContact CB-CG1 4.42Å; P223-V249 HydrophobicContact CB-CG2 4.06Å; P223-V249 HydrophobicContact CG-CB 4.45Å; P223-V249 HydrophobicContact CG-CG1 4.17Å; P223-V249 HydrophobicContact CG-CG2 4.16Å; N247-V249 PolarHBondContact O-N 2.98Å
250	E	81.7	Confident	90.2	Very high	73 Å²	73	21.9 Å²	21.9	34%	0.341	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	169.2	-179.8	62.4	173.3	175.1	0	0	111.9	C210 K211 C248	C210-E250 WeakPolarHBondContact CA-O 3.42Å; K211-E250 HydrophobicContact CB-CG 4.11Å; K211-E250 HydrophobicContact CD-CG 4.24Å; K211-E250 WeakPolarHBondContact CD-OE1 3.46Å; K211-E250 WeakPolarHBondContact CE-OE1 3.32Å; K211-E250 HydrophobicContact CG-CG 4.12Å; K211-E250 PolarHBondContact N-O 2.91Å; K211-E250 VanDerWaalsContact N-O 3.11Å; K211-E250 IonicContact NZ-OE1 2.69Å; K211-E250 PolarHBondContact NZ-OE1 2.78Å; C248-E250 PolarHBondContact SG-O 2.8Å
251	G	86.3	Confident	89.8	Confident	35 Å²	35	22 Å²	22	36%	0.361	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	73.8	-159.7	-178.9	0	0	0	0	0	113.4	G194 H208	G194-G251 PolarHBondContact N-O 3.44Å; H208-G251 WeakPolarHBondContact O-CA 3.32Å
252	T	91.8	Very high	89.3	Confident	49 Å²	49	24.3 Å²	24.3	30%	0.301	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	146	176.4	176.6	0	0	0	0	111.1	V192 S207 H208	V192-T252 VanDerWaalsContact O-CA 3.29Å; V192-T252 WeakPolarHBondContact O-CA 3.21Å; V192-T252 PolarHBondContact O-OG1 2.73Å; S207-T252 WeakPolarHBondContact CA-O 3.24Å; H208-T252 HydrophobicContact CB-CG2 4.09Å; H208-T252 PolarHBondContact N-O 3.38Å; H208-T252 PolarHBondContact O-N 3.39Å
253	A	94.7	Very high	89	Confident	2 Å²	2	29.8 Å²	29.8	2%	0.017	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	158.2	176	0	0	0	0	0	112.3	E191 V192 I204 S206 C210	E191-A253 WeakPolarHBondContact CA-O 3.34Å; V192-A253 HydrophobicContact CG2-CB 4Å; V192-A253 PolarHBondContact N-O 2.94Å; V192-A253 PolarHBondContact O-N 3.07Å; I204-A253 HydrophobicContact CD1-CB 4.28Å; I204-A253 HydrophobicContact CG2-CB 4.43Å; S206-A253 CarbonylContact O-C 3.51Å; S206-A253 VanDerWaalsContact O-CA 3.29Å; S206-A253 WeakPolarHBondContact O-CA 3.32Å; S206-A253 WeakPolarHBondContact O-CB 3.33Å; C210-A253 HydrophobicContact CB-CB 3.89Å
254	R	95.1	Very high	88.8	Confident	83 Å²	83	29.7 Å²	29.7	31%	0.313	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.9	167	-65.8	-177.3	-179.7	167.4	3.2	110	L189 V190 E191 I205 S206	L189-R254 HydrophobicContact CD1-CB 4.25Å; V190-R254 VanDerWaalsContact O-CA 3.24Å; V190-R254 WeakPolarHBondContact O-CA 3.34Å; E191-R254 HydrophobicContact CB-CG 4.16Å; E191-R254 HydrophobicContact CG-CG 4.07Å; E191-R254 IonicContact OE2-CZ 3.29Å; E191-R254 VanDerWaalsContact OE2-CZ 3.29Å; E191-R254 IonicContact OE2-NE 2.89Å; E191-R254 PolarHBondContact OE2-NE 3.37Å; E191-R254 IonicContact OE2-NH2 2.79Å; E191-R254 PolarHBondContact OE2-NH2 2.76Å; I205-R254 HydrophobicContact CG1-CB 4.25Å; I205-R254 PolarHBondContact N-O 3.12Å; S206-R254 PolarHBondContact N-O 3.38Å; S206-R254 PolarHBondContact O-N 3.06Å
255	G	95.2	Very high	88.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	154.5	177.3	0	0	0	0	0	113.2	V190 R203	V190-G255 PolarHBondContact N-O 3.23Å; V190-G255 PolarHBondContact O-N 2.91Å; R203-G255 CarbonylContact O-C 3.29Å; R203-G255 WeakPolarHBondContact O-CA 3.22Å
256	I	96	Very high	88.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.6	175.3	-62.1	169.3	0	0	0	108.1	V50 C51 T56 D188 L189 L202 R203 I205 V258	V50-I256 HydrophobicContact CG1-CB 4.48Å; V50-I256 HydrophobicContact CG1-CD1 4.13Å; V50-I256 HydrophobicContact CG1-CG2 4.31Å; C51-I256 VanDerWaalsContact SG-CD1 3.53Å; T56-I256 HydrophobicContact CG2-CD1 4.06Å; T56-I256 HydrophobicContact CG2-CG1 4.45Å; T56-I256 HydrophobicContact CG2-CG2 3.97Å; D188-I256 CarbonylContact O-C 3.58Å; D188-I256 WeakPolarHBondContact O-CA 3.32Å; L189-I256 HydrophobicContact CD1-CG1 4.47Å; L202-I256 CarbonylContact C-O 3.48Å; L202-I256 WeakPolarHBondContact CA-O 3.33Å; R203-I256 PolarHBondContact N-O 2.88Å; R203-I256 PolarHBondContact O-N 3.15Å; I205-I256 HydrophobicContact CD1-CG1 4.49Å; I205-I256 HydrophobicContact CG2-CD1 3.94Å; I205-I256 HydrophobicContact CG2-CG1 4.11Å; I256-V258 PolarHBondContact O-N 3.12Å
257	V	95.5	Very high	88.5	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	123.2	176.6	-177.6	0	0	0	0	110.3	V184 V185 G187 D188 V190 A200 D201 L202 T260	V184-V257 HydrophobicContact CG1-CG1 4.46Å; V184-V257 HydrophobicContact CG1-CG2 3.64Å; V185-V257 WeakPolarHBondContact O-CB 3.38Å; G187-V257 PolarHBondContact N-O 2.97Å; D188-V257 HydrophobicContact CB-CG2 3.91Å; D188-V257 PolarHBondContact O-N 3.22Å; V190-V257 HydrophobicContact CG2-CG2 3.53Å; A200-V257 HydrophobicContact CB-CG1 3.71Å; A200-V257 HydrophobicContact CB-CG2 4.35Å; D201-V257 WeakPolarHBondContact O-CA 3.41Å; L202-V257 HydrophobicContact CD2-CB 4.29Å; L202-V257 HydrophobicContact CD2-CG2 3.63Å; V257-T260 HydrophobicContact CG1-CG2 3.53Å
258	V	94	Very high	88.4	Confident	7 Å²	7	26.3 Å²	26.3	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-38	177.6	-68.2	0	0	0	0	113	E42 Y54 D201 R203 I256	E42-V258 HydrophobicContact CB-CG1 3.86Å; E42-V258 HydrophobicContact CG-CB 4.4Å; E42-V258 HydrophobicContact CG-CG1 3.91Å; Y54-V258 HydrophobicContact CE2-CG1 4.13Å; Y54-V258 WeakPolarHBondContact OH-CA 3.35Å; Y54-V258 PolarHBondContact OH-O 3.2Å; D201-V258 HydrophobicContact CB-CG2 3.95Å; D201-V258 WeakPolarHBondContact O-CG2 3.43Å; D201-V258 PolarHBondContact O-N 3.25Å; R203-V258 HydrophobicContact CB-CG1 3.68Å; I256-V258 PolarHBondContact O-N 3.12Å
259	C	91.6	Very high	88	Confident	24 Å²	24	26.3 Å²	26.3	16%	0.162	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.3	178.1	-61.7	0	0	0	0	111	D201 R263 T264	D201-C259 HydrophobicContact CB-CB 4.05Å; D201-C259 PolarHBondContact N-O 2.8Å; C259-R263 HydrophobicContact CB-CB 4.41Å; C259-T264 HydrophobicContact CB-CG2 4.19Å; C259-T264 WeakPolarHBondContact O-CG2 3.22Å
260	T	90.9	Very high	87.7	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.125	C	C	.	.			trans	-129.8	151.4	177.9	55	0	0	0	0	111.9	N77 A200 V257 R263	N77-T260 HydrophobicContact CB-CG2 4.19Å; N77-T260 VanDerWaalsContact OD1-CA 3.27Å; N77-T260 WeakPolarHBondContact OD1-CA 3.49Å; N77-T260 WeakPolarHBondContact OD1-CB 3.46Å; A200-T260 HydrophobicContact CB-CG2 4.39Å; V257-T260 HydrophobicContact CG1-CG2 3.53Å; T260-R263 WeakPolarHBondContact O-CB 3.34Å; T260-R263 PolarHBondContact O-N 3.41Å; T260-R263 PolarHBondContact O-NE 2.71Å; T260-R263 PolarHBondContact OG1-NH2 2.89Å
261	G	86	Confident	87.5	Confident	2 Å²	2	23.2 Å²	23.2	2%	0.021	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	54.9	-135.7	177.8	0	0	0	0	0	113.1	N77 A78 R263 T264	N77-G261 PolarHBondContact OD1-N 2.93Å; A78-G261 WeakPolarHBondContact O-CA 3.32Å; G261-R263 PolarHBondContact O-N 3.27Å; G261-T264 WeakPolarHBondContact O-CB 3.49Å; G261-T264 WeakPolarHBondContact O-CG2 3.34Å; G261-T264 PolarHBondContact O-N 2.96Å; G261-T264 PolarHBondContact O-OG1 2.96Å
262	D	82.4	Confident	87.2	Confident	49 Å²	49	21.6 Å²	21.6	26%	0.262	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-58.3	-20	-179.5	-59.4	-29.6	0	0	0	114.3	L79 T80 T264 G267 R268	L79-D262 WeakPolarHBondContact CA-OD1 3.46Å; T80-D262 WeakPolarHBondContact CB-OD2 3.47Å; T80-D262 PolarHBondContact N-OD1 2.86Å; T80-D262 PolarHBondContact OG1-OD2 2.91Å; D262-T264 VanDerWaalsContact C-N 3.3Å; D262-G267 CarbonylContact O-C 3.51Å; D262-G267 VanDerWaalsContact O-C 3.28Å; D262-R268 PolarHBondContact O-N 2.91Å; D262-R268 VanDerWaalsContact O-N 3.11Å
263	R	87.1	Confident	86.6	Confident	116 Å²	116	19.6 Å²	19.6	44%	0.438	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-78.4	-13.2	177.8	-63	167.3	-68.9	-106.7	-3.1	113.3	D74 C259 T260 G261	D74-R263 PolarHBondContact O-NH1 3.03Å; D74-R263 PolarHBondContact O-NH2 3.33Å; C259-R263 HydrophobicContact CB-CB 4.41Å; T260-R263 WeakPolarHBondContact O-CB 3.34Å; T260-R263 PolarHBondContact O-N 3.41Å; T260-R263 PolarHBondContact O-NE 2.71Å; T260-R263 PolarHBondContact OG1-NH2 2.89Å; G261-R263 PolarHBondContact O-N 3.27Å
264	T	87.6	Confident	85.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-65.6	161.4	174.3	60	0	0	0	0	111.3	D201 F244 C259 G261 D262 M266 G267 R268	D201-T264 HydrophobicContact CB-CG2 4.44Å; D201-T264 WeakPolarHBondContact OD2-CA 3.48Å; D201-T264 WeakPolarHBondContact OD2-CB 3.3Å; F244-T264 HydrophobicContact CB-CG2 3.85Å; F244-T264 HydrophobicContact CD1-CG2 4.44Å; F244-T264 HydrophobicContact CG-CG2 4.29Å; C259-T264 HydrophobicContact CB-CG2 4.19Å; C259-T264 WeakPolarHBondContact O-CG2 3.22Å; G261-T264 WeakPolarHBondContact O-CB 3.49Å; G261-T264 WeakPolarHBondContact O-CG2 3.34Å; G261-T264 PolarHBondContact O-N 2.96Å; G261-T264 PolarHBondContact O-OG1 2.96Å; D262-T264 VanDerWaalsContact C-N 3.3Å; T264-M266 PolarHBondContact O-N 3.07Å; T264-G267 PolarHBondContact O-N 2.95Å; T264-G267 WeakPolarHBondContact OG1-CA 3.47Å; T264-G267 PolarHBondContact OG1-N 2.92Å; T264-R268 PolarHBondContact O-N 3.33Å
265	V	85.6	Confident	84.7	Confident	5 Å²	5	20.6 Å²	20.6	3%	0.03	12%	0.12	C	C	.	.	H	α-helix	trans	-52.8	-47	173.9	177.7	0	0	0	0	110.9	V38 I40 D201 L217 L236 F243 I269	V38-V265 HydrophobicContact CB-CG2 4.43Å; V38-V265 HydrophobicContact CG1-CG2 4.18Å; V38-V265 HydrophobicContact CG2-CG1 4.18Å; V38-V265 HydrophobicContact CG2-CG2 4.17Å; I40-V265 HydrophobicContact CD1-CG2 3.86Å; D201-V265 PolarHBondContact OD2-N 3.21Å; L217-V265 HydrophobicContact CD2-CB 4.16Å; L217-V265 HydrophobicContact CD2-CG1 3.6Å; L236-V265 HydrophobicContact CD2-CG1 4.01Å; L236-V265 HydrophobicContact CD2-CG2 4.46Å; F243-V265 HydrophobicContact CD1-CB 4.18Å; F243-V265 HydrophobicContact CD1-CG2 3.67Å; F243-V265 HydrophobicContact CE1-CG2 3.74Å; V265-I269 HydrophobicContact CG1-CD1 4.19Å; V265-I269 WeakPolarHBondContact O-CG1 3.31Å; V265-I269 PolarHBondContact O-N 3.26Å
266	M	81.6	Confident	84	Confident	7 Å²	7	21.3 Å²	21.3	3%	0.034	12%	0.124	C	C	.	.	H	α-helix	trans	-71.6	-36.9	179.8	-72.6	-75.2	-94.3	0	0	112.6	L217 F244 S245 T264 I269 A270 V718	L217-M266 HydrophobicContact CD1-CE 4.06Å; L217-M266 HydrophobicContact CD1-CG 3.75Å; L217-M266 HydrophobicContact CD1-SD 3.64Å; L217-M266 HydrophobicContact CD2-CG 4.34Å; L217-M266 HydrophobicContact CG-CG 4.01Å; L217-M266 HydrophobicContact CG-SD 3.67Å; F244-M266 HydrophobicContact CD1-CB 3.99Å; F244-M266 WeakPolarHBondContact O-CG 3.38Å; S245-M266 WeakPolarHBondContact OG-CE 3.44Å; T264-M266 PolarHBondContact O-N 3.07Å; M266-I269 PolarHBondContact O-N 3.43Å; M266-I269 HydrophobicContact SD-CD1 4.36Å; M266-A270 WeakPolarHBondContact O-CB 3.42Å; M266-A270 PolarHBondContact O-N 3.36Å; M266-V718 HydrophobicContact CE-CB 3.65Å; M266-V718 HydrophobicContact CE-CG1 3.73Å; M266-V718 HydrophobicContact CE-CG2 3.68Å; M266-V718 HydrophobicContact SD-CB 4.06Å; M266-V718 HydrophobicContact SD-CG1 3.8Å
267	G	80.1	Confident	83	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-47	173	0	0	0	0	0	112	L79 D262 T264 I269 A270 T271	L79-G267 VanDerWaalsContact CD2-CA 3.46Å; D262-G267 CarbonylContact O-C 3.51Å; D262-G267 VanDerWaalsContact O-C 3.28Å; T264-G267 PolarHBondContact O-N 2.95Å; T264-G267 WeakPolarHBondContact OG1-CA 3.47Å; T264-G267 PolarHBondContact OG1-N 2.92Å; G267-I269 VanDerWaalsContact C-N 3.32Å; G267-I269 PolarHBondContact O-N 3.28Å; G267-A270 PolarHBondContact O-N 3.29Å; G267-A270 VanDerWaalsContact O-N 3.12Å; G267-T271 PolarHBondContact O-N 3.36Å; G267-T271 PolarHBondContact O-OG1 3Å
268	R	81.9	Confident	81.7	Confident	37 Å²	37	33.6 Å²	33.6	14%	0.14	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-38.3	174.6	-73.8	-172	57.4	-167.5	-14.5	113.1	D33 L34 K36 D262 T264 L272	D33-R268 PolarHBondContact O-NH2 3.43Å; D33-R268 VanDerWaalsContact O-NH2 3.13Å; L34-R268 HydrophobicContact CD2-CB 4.27Å; L34-R268 HydrophobicContact CD2-CG 4.2Å; L34-R268 PolarHBondContact O-NH2 3.16Å; K36-R268 PolarHBondContact O-NH2 2.98Å; D262-R268 PolarHBondContact O-N 2.91Å; D262-R268 VanDerWaalsContact O-N 3.11Å; T264-R268 PolarHBondContact O-N 3.33Å; R268-L272 VanDerWaalsContact O-CB 3.25Å; R268-L272 WeakPolarHBondContact O-CB 3.48Å; R268-L272 PolarHBondContact O-N 2.93Å
269	I	78.9	Confident	80.9	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-42.7	174.9	-67	162.7	0	0	0	110.6	V265 M266 G267 L272 T273 P694 V718 P722	V265-I269 HydrophobicContact CG1-CD1 4.19Å; V265-I269 WeakPolarHBondContact O-CG1 3.31Å; V265-I269 PolarHBondContact O-N 3.26Å; M266-I269 PolarHBondContact O-N 3.43Å; M266-I269 HydrophobicContact SD-CD1 4.36Å; G267-I269 VanDerWaalsContact C-N 3.32Å; G267-I269 PolarHBondContact O-N 3.28Å; I269-L272 PolarHBondContact O-N 2.64Å; I269-T273 WeakPolarHBondContact O-CB 3.44Å; I269-T273 PolarHBondContact O-N 2.98Å; I269-T273 PolarHBondContact O-OG1 3.44Å; I269-P694 HydrophobicContact CD1-CB 4.3Å; I269-P694 HydrophobicContact CD1-CG 3.87Å; I269-P694 HydrophobicContact CG1-CB 4.42Å; I269-P694 HydrophobicContact CG1-CG 4.5Å; I269-V718 HydrophobicContact CG2-CG1 4.28Å; I269-P722 HydrophobicContact CG2-CG 3.91Å
270	A	77.4	Confident	80.5	Confident	17 Å²	17	40.2 Å²	40.2	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-40.1	176.9	0	0	0	0	0	112.5	L79 M266 G267 T273 S274	L79-A270 HydrophobicContact CD1-CB 4.06Å; M266-A270 WeakPolarHBondContact O-CB 3.42Å; M266-A270 PolarHBondContact O-N 3.36Å; G267-A270 PolarHBondContact O-N 3.29Å; G267-A270 VanDerWaalsContact O-N 3.12Å; A270-T273 PolarHBondContact O-N 3.18Å; A270-S274 WeakPolarHBondContact O-CB 3.46Å; A270-S274 PolarHBondContact O-N 3.44Å; A270-S274 PolarHBondContact O-OG 3.49Å
271	T	77.6	Confident	80.5	Confident	52 Å²	52	41.2 Å²	41.2	32%	0.319	24%	0.236	S	C	.	.	H	α-helix	trans	-64.7	-46.9	173.5	-51.2	0	0	0	0	111.2	L34 G267 T273 S274 G275	L34-T271 HydrophobicContact CD1-CG2 3.95Å; G267-T271 PolarHBondContact O-N 3.36Å; G267-T271 PolarHBondContact O-OG1 3Å; T271-T273 PolarHBondContact O-N 3.36Å; T271-S274 PolarHBondContact O-N 2.93Å; T271-G275 PolarHBondContact O-N 3.1Å
272	L	80.8	Confident	80.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.4	-48.6	174.9	176.6	63.9	0	0	0	111	M31 L34 K35 R268 I269 S274 G275 L276 Q695 L698 P722	M31-L272 HydrophobicContact CE-CD1 3.85Å; L34-L272 HydrophobicContact CB-CB 4.47Å; L34-L272 HydrophobicContact CB-CD1 4.16Å; K35-L272 HydrophobicContact CG-CD1 4.06Å; R268-L272 VanDerWaalsContact O-CB 3.25Å; R268-L272 WeakPolarHBondContact O-CB 3.48Å; R268-L272 PolarHBondContact O-N 2.93Å; I269-L272 PolarHBondContact O-N 2.64Å; L272-S274 VanDerWaalsContact C-N 3.32Å; L272-S274 PolarHBondContact O-N 3.42Å; L272-G275 PolarHBondContact O-N 3.29Å; L272-L276 VanDerWaalsContact O-CG 3.3Å; L272-L276 WeakPolarHBondContact O-CG 3.49Å; L272-L276 PolarHBondContact O-N 3.26Å; L272-L276 VanDerWaalsContact O-N 3.12Å; L272-Q695 HydrophobicContact CD2-CG 4.24Å; L272-L698 HydrophobicContact CD2-CD2 4.3Å; L272-P722 HydrophobicContact CD2-CB 4.32Å; L272-P722 HydrophobicContact CD2-CG 4.34Å
273	T	78.3	Confident	81.2	Confident	8 Å²	8	39 Å²	39	5%	0.049	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-44.4	176.4	-57.5	0	0	0	0	111.4	I269 A270 T271 L276 S721 K725 A744	I269-T273 WeakPolarHBondContact O-CB 3.44Å; I269-T273 PolarHBondContact O-N 2.98Å; I269-T273 PolarHBondContact O-OG1 3.44Å; A270-T273 PolarHBondContact O-N 3.18Å; T271-T273 PolarHBondContact O-N 3.36Å; T273-L276 PolarHBondContact O-N 2.91Å; T273-S721 WeakPolarHBondContact OG1-CB 3.39Å; T273-K725 HydrophobicContact CG2-CB 3.88Å; T273-K725 HydrophobicContact CG2-CG 4.1Å; T273-K725 WeakPolarHBondContact O-CG 3.45Å; T273-A744 HydrophobicContact CG2-CB 3.92Å
274	S	75.7	Confident	81.2	Confident	66 Å²	66	34.5 Å²	34.5	46%	0.462	21%	0.211	S	C	.	.	H	α-helix	trans	-71	-31.1	-178.9	-60.5	0	0	0	0	113.6	A270 T271 L272	A270-S274 WeakPolarHBondContact O-CB 3.46Å; A270-S274 PolarHBondContact O-N 3.44Å; A270-S274 PolarHBondContact O-OG 3.49Å; T271-S274 PolarHBondContact O-N 2.93Å; L272-S274 VanDerWaalsContact C-N 3.32Å; L272-S274 PolarHBondContact O-N 3.42Å
275	G	73.8	Confident	81.4	Confident	40 Å²	40	39.8 Å²	39.8	41%	0.412	23%	0.231	S	C	.	.	H	α-helix	trans	-83.8	-10.3	178.3	0	0	0	0	0	114.7	M31 T271 L272 E277	M31-G275 VanDerWaalsContact CE-C 3.46Å; M31-G275 WeakPolarHBondContact CE-O 3.23Å; T271-G275 PolarHBondContact O-N 3.1Å; L272-G275 PolarHBondContact O-N 3.29Å; G275-E277 PolarHBondContact O-N 3.03Å
276	L	80.5	Confident	81.7	Confident	15 Å²	15	39.8 Å²	39.8	8%	0.079	23%	0.231	C	C	.	.	S	Bend	trans	-72.7	118.8	175.9	-79.7	166.2	0	0	0	111	M31 L272 T273 T278 L698 P722 K725	M31-L276 HydrophobicContact CE-CD2 4.43Å; M31-L276 HydrophobicContact CE-CG 4.33Å; L272-L276 VanDerWaalsContact O-CG 3.3Å; L272-L276 WeakPolarHBondContact O-CG 3.49Å; L272-L276 PolarHBondContact O-N 3.26Å; L272-L276 VanDerWaalsContact O-N 3.12Å; T273-L276 PolarHBondContact O-N 2.91Å; L276-T278 PolarHBondContact O-N 3.36Å; L276-L698 HydrophobicContact CD1-CD1 3.95Å; L276-L698 HydrophobicContact CD1-CD2 4.06Å; L276-L698 HydrophobicContact CD2-CD1 4.32Å; L276-L698 HydrophobicContact CD2-CD2 4.3Å; L276-P722 HydrophobicContact CD1-CB 4.14Å; L276-K725 HydrophobicContact CB-CG 4.25Å
277	E	75	Confident	82	Confident	172 Å²	172	40.9 Å²	40.9	80%	0.804	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-64.6	121.9	172.7	-66.8	-170.2	166.3	0	0	111.1	G275 G279	G275-E277 PolarHBondContact O-N 3.03Å; E277-G279 PolarHBondContact O-N 2.92Å
278	T	69	Low	82.4	Confident	86 Å²	86	44.2 Å²	44.2	53%	0.528	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-67.9	118.8	164.8	44.5	0	0	0	0	109.6	L276 K725	L276-T278 PolarHBondContact O-N 3.36Å; T278-K725 HydrophobicContact CG2-CD 3.97Å; T278-K725 VanDerWaalsContact CG2-NZ 3.27Å
279	G	76.3	Confident	82.8	Confident	60 Å²	60	45.8 Å²	45.8	62%	0.619	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-69.1	169.8	174.5	0	0	0	0	0	112.8	E277 T281	E277-G279 PolarHBondContact O-N 2.92Å; G279-T281 PolarHBondContact O-N 3.48Å
280	K	85	Confident	83.3	Confident	110 Å²	110	46 Å²	46	48%	0.478	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-65.5	129.9	169.3	-69	179.5	174	176.5	0	109.7	R285 E288	K280-R285 HydrophobicContact CB-CG 3.85Å; K280-R285 VanDerWaalsContact O-CZ 3.25Å; K280-R285 PolarHBondContact O-NE 3Å; K280-R285 PolarHBondContact O-NH2 3.43Å; K280-E288 IonicContact NZ-OE1 3.63Å; K280-E288 PolarHBondContact NZ-OE1 3.17Å; K280-E288 IonicContact NZ-OE2 3.8Å; K280-E288 PolarHBondContact NZ-OE2 3.11Å
281	T	90.5	Very high	83.8	Confident	22 Å²	22	46.2 Å²	46.2	14%	0.135	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-61.3	160.9	173.8	65.9	0	0	0	0	111.6	G279 I283 A284 R285 E361	G279-T281 PolarHBondContact O-N 3.48Å; T281-I283 PolarHBondContact O-N 2.97Å; T281-A284 PolarHBondContact O-N 2.98Å; T281-A284 VanDerWaalsContact OG1-CB 3.24Å; T281-A284 WeakPolarHBondContact OG1-CB 3.42Å; T281-A284 PolarHBondContact OG1-N 2.82Å; T281-A284 VanDerWaalsContact OG1-N 3.11Å; T281-R285 WeakPolarHBondContact O-CG 3.12Å; T281-R285 PolarHBondContact O-N 3.48Å; T281-R285 VanDerWaalsContact O-N 3.14Å; T281-E361 WeakPolarHBondContact CB-OE2 3.46Å; T281-E361 HydrophobicContact CG2-CB 3.82Å; T281-E361 WeakPolarHBondContact CG2-OE2 3.41Å; T281-E361 PolarHBondContact OG1-OE2 3.4Å
282	P	91.8	Very high	84.3	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.032	27%	0.272	C	S	.	.	H	α-helix	trans	-56.7	-48.9	174.9	-25.8	36.1	0	0	0	112.4	A284 R285 E286 T365 I710	P282-A284 PolarHBondContact O-N 3.03Å; P282-R285 PolarHBondContact O-N 2.88Å; P282-E286 WeakPolarHBondContact O-CG 3.49Å; P282-E286 PolarHBondContact O-N 3.17Å; P282-T365 WeakPolarHBondContact CD-OG1 3.44Å; P282-T365 HydrophobicContact CG-CG2 3.95Å; P282-I710 HydrophobicContact CG-CD1 3.98Å; P282-I710 HydrophobicContact CG-CG1 4.28Å; P282-I710 HydrophobicContact CG-CG2 3.94Å
283	I	90.8	Very high	84.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-38	178.1	-171.5	60.1	0	0	0	113.3	T281 R285 E286 I287 E361 E364 L771 L843	T281-I283 PolarHBondContact O-N 2.97Å; I283-R285 VanDerWaalsContact C-N 3.34Å; I283-R285 PolarHBondContact O-N 3.2Å; I283-E286 PolarHBondContact O-N 3.45Å; I283-I287 HydrophobicContact CD1-CD1 4.47Å; I283-I287 HydrophobicContact CD1-CG1 4.44Å; I283-I287 HydrophobicContact CG1-CD1 4.01Å; I283-I287 HydrophobicContact CG1-CG1 4.43Å; I283-I287 WeakPolarHBondContact O-CG1 3.29Å; I283-I287 PolarHBondContact O-N 2.97Å; I283-E361 HydrophobicContact CG2-CB 3.48Å; I283-E361 VanDerWaalsContact CG2-CB 3.48Å; I283-E361 HydrophobicContact CG2-CG 3.82Å; I283-E361 WeakPolarHBondContact CG2-O 3.3Å; I283-E364 HydrophobicContact CB-CB 4.05Å; I283-E364 HydrophobicContact CB-CG 4.09Å; I283-E364 WeakPolarHBondContact CB-OE2 3.34Å; I283-E364 HydrophobicContact CD1-CG 4.31Å; I283-E364 HydrophobicContact CG1-CB 4.43Å; I283-E364 HydrophobicContact CG1-CG 4.47Å; I283-E364 HydrophobicContact CG2-CB 4.36Å; I283-E364 PolarHBondContact N-OE2 2.86Å; I283-L771 HydrophobicContact CD1-CD1 4.13Å; I283-L843 HydrophobicContact CD1-CD2 3.86Å
284	A	87.7	Confident	85.3	Confident	20 Å²	20	51.4 Å²	51.4	17%	0.165	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-39.7	174.9	0	0	0	0	0	112.3	T281 P282 E286 I287 E288	T281-A284 PolarHBondContact O-N 2.98Å; T281-A284 VanDerWaalsContact OG1-CB 3.24Å; T281-A284 WeakPolarHBondContact OG1-CB 3.42Å; T281-A284 PolarHBondContact OG1-N 2.82Å; T281-A284 VanDerWaalsContact OG1-N 3.11Å; P282-A284 PolarHBondContact O-N 3.03Å; A284-E286 VanDerWaalsContact C-N 3.33Å; A284-I287 PolarHBondContact O-N 3.22Å; A284-E288 WeakPolarHBondContact O-CB 3.41Å; A284-E288 PolarHBondContact O-N 2.97Å
285	R	90.9	Very high	85.9	Confident	112 Å²	112	50.2 Å²	50.2	42%	0.423	27%	0.271	S	S	.	.	H	α-helix	trans	-65.9	-35.3	174.7	-63.5	176.7	-153.1	-179.2	12.4	111.9	K280 T281 P282 I283 H289 D728	K280-R285 HydrophobicContact CB-CG 3.85Å; K280-R285 VanDerWaalsContact O-CZ 3.25Å; K280-R285 PolarHBondContact O-NE 3Å; K280-R285 PolarHBondContact O-NH2 3.43Å; T281-R285 WeakPolarHBondContact O-CG 3.12Å; T281-R285 PolarHBondContact O-N 3.48Å; T281-R285 VanDerWaalsContact O-N 3.14Å; P282-R285 PolarHBondContact O-N 2.88Å; I283-R285 VanDerWaalsContact C-N 3.34Å; I283-R285 PolarHBondContact O-N 3.2Å; R285-H289 WeakPolarHBondContact O-CB 3.37Å; R285-H289 PolarHBondContact O-N 3.22Å; R285-D728 IonicContact NH2-OD1 3.79Å
286	E	92	Very high	86.7	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.019	27%	0.272	C	S	.	.	H	α-helix	trans	-69.1	-42.4	174.8	-66.6	-59.6	150.1	0	0	112.2	P282 I283 A284 H289 F290 F768 R836 K842 L843	P282-E286 WeakPolarHBondContact O-CG 3.49Å; P282-E286 PolarHBondContact O-N 3.17Å; I283-E286 PolarHBondContact O-N 3.45Å; A284-E286 VanDerWaalsContact C-N 3.33Å; E286-H289 PolarHBondContact O-N 3.24Å; E286-F290 WeakPolarHBondContact O-CB 3.32Å; E286-F290 PolarHBondContact O-N 2.68Å; E286-F768 HydrophobicContact CG-CE2 4.44Å; E286-R836 IonicContact OE1-CZ 3.55Å; E286-R836 IonicContact OE1-NH1 2.71Å; E286-R836 PolarHBondContact OE1-NH1 2.8Å; E286-R836 IonicContact OE1-NH2 3.4Å; E286-K842 WeakPolarHBondContact OE1-CD 3.43Å; E286-K842 IonicContact OE1-NZ 2.71Å; E286-K842 PolarHBondContact OE1-NZ 3.15Å; E286-K842 VanDerWaalsContact OE2-CA 3.28Å; E286-K842 WeakPolarHBondContact OE2-CA 3.44Å; E286-K842 VanDerWaalsContact OE2-CD 3.31Å; E286-K842 WeakPolarHBondContact OE2-CD 3.25Å; E286-L843 HydrophobicContact CB-CB 3.73Å; E286-L843 HydrophobicContact CB-CD2 4.07Å; E286-L843 HydrophobicContact CG-CB 4.09Å; E286-L843 PolarHBondContact OE2-N 3.05Å
287	I	88.2	Confident	87.2	Confident	30 Å²	30	51.7 Å²	51.7	15%	0.154	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-44	174.8	-69.6	167.1	0	0	0	110.6	I283 A284 F290 I291 V339	I283-I287 HydrophobicContact CD1-CD1 4.47Å; I283-I287 HydrophobicContact CD1-CG1 4.44Å; I283-I287 HydrophobicContact CG1-CD1 4.01Å; I283-I287 HydrophobicContact CG1-CG1 4.43Å; I283-I287 WeakPolarHBondContact O-CG1 3.29Å; I283-I287 PolarHBondContact O-N 2.97Å; A284-I287 PolarHBondContact O-N 3.22Å; I287-F290 WeakPolarHBondContact O-CB 3.41Å; I287-F290 PolarHBondContact O-N 3.19Å; I287-I291 HydrophobicContact CG2-CD1 3.68Å; I287-I291 HydrophobicContact CG2-CG1 4.41Å; I287-I291 WeakPolarHBondContact O-CD1 3.36Å; I287-I291 VanDerWaalsContact O-CG1 3.24Å; I287-I291 WeakPolarHBondContact O-CG1 3.36Å; I287-I291 PolarHBondContact O-N 2.85Å; I287-V339 HydrophobicContact CD1-CG1 4.11Å
288	E	87.9	Confident	87.8	Confident	71 Å²	71	43.5 Å²	43.5	33%	0.332	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-42.6	175.6	179.1	175.1	-150	0	0	112.5	K280 A284 F290 I291 H292	K280-E288 IonicContact NZ-OE1 3.63Å; K280-E288 PolarHBondContact NZ-OE1 3.17Å; K280-E288 IonicContact NZ-OE2 3.8Å; K280-E288 PolarHBondContact NZ-OE2 3.11Å; A284-E288 WeakPolarHBondContact O-CB 3.41Å; A284-E288 PolarHBondContact O-N 2.97Å; E288-F290 VanDerWaalsContact C-N 3.35Å; E288-I291 PolarHBondContact O-N 3.4Å; E288-H292 VanDerWaalsContact CG-CE1 3.48Å; E288-H292 WeakPolarHBondContact CG-CE1 3.33Å; E288-H292 PolarHBondContact O-N 3.41Å; E288-H292 VanDerWaalsContact O-N 3.07Å; E288-H292 PolarHBondContact O-ND1 2.9Å
289	H	90.9	Very high	88.8	Confident	69 Å²	69	42.6 Å²	42.6	32%	0.319	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-44.3	174.5	179.8	54.1	0	0	0	111.9	R285 E286 H292 I293	R285-H289 WeakPolarHBondContact O-CB 3.37Å; R285-H289 PolarHBondContact O-N 3.22Å; E286-H289 PolarHBondContact O-N 3.24Å; H289-H292 PolarHBondContact O-N 3.4Å; H289-I293 WeakPolarHBondContact O-CG1 3.13Å; H289-I293 PolarHBondContact O-N 3.45Å
290	F	88.7	Confident	89.6	Confident	7 Å²	7	46.2 Å²	46.2	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-48.9	174.9	161.4	-120.6	0	0	0	112.6	F99 E286 I287 E288 H292 I293 I294 L335 I775 L779 V844	F99-F290 HydrophobicContact CE2-CD1 4.32Å; F99-F290 AromaticContact CE2-CE1 3.65Å; F99-F290 HydrophobicContact CE2-CE1 3.65Å; F99-F290 HydrophobicContact CE2-CZ 4.27Å; F99-F290 HydrophobicContact CZ-CD1 4.27Å; F99-F290 AromaticContact CZ-CE1 3.62Å; F99-F290 HydrophobicContact CZ-CE1 3.62Å; F99-F290 AromaticContact CZ-CZ 3.86Å; F99-F290 HydrophobicContact CZ-CZ 3.86Å; E286-F290 WeakPolarHBondContact O-CB 3.32Å; E286-F290 PolarHBondContact O-N 2.68Å; I287-F290 WeakPolarHBondContact O-CB 3.41Å; I287-F290 PolarHBondContact O-N 3.19Å; E288-F290 VanDerWaalsContact C-N 3.35Å; F290-H292 VanDerWaalsContact C-N 3.28Å; F290-H292 PolarHBondContact O-N 3.47Å; F290-I293 PolarHBondContact O-N 3.06Å; F290-I293 VanDerWaalsContact O-N 3.1Å; F290-I294 HydrophobicContact CD2-CG1 3.8Å; F290-I294 HydrophobicContact CE2-CB 4.49Å; F290-I294 HydrophobicContact CE2-CD1 3.87Å; F290-I294 HydrophobicContact CE2-CG1 3.2Å; F290-I294 HydrophobicContact CZ-CG1 3.82Å; F290-I294 PolarHBondContact O-N 3.49Å; F290-I294 VanDerWaalsContact O-N 3.07Å; F290-L335 HydrophobicContact CE1-CD2 3.53Å; F290-L335 HydrophobicContact CE2-CD2 4.46Å; F290-L335 HydrophobicContact CZ-CD2 3.33Å; F290-I775 HydrophobicContact CE2-CG2 4.29Å; F290-I775 HydrophobicContact CZ-CG2 4.41Å; F290-L779 HydrophobicContact CE2-CD1 3.84Å; F290-L779 HydrophobicContact CE2-CD2 4.13Å; F290-L779 HydrophobicContact CE2-CG 4.46Å; F290-L779 HydrophobicContact CZ-CD1 4.49Å; F290-L779 HydrophobicContact CZ-CD2 4.27Å; F290-V844 HydrophobicContact CB-CB 4.24Å; F290-V844 HydrophobicContact CB-CG2 4.04Å; F290-V844 HydrophobicContact CD2-CB 3.97Å; F290-V844 HydrophobicContact CD2-CG1 4.07Å; F290-V844 HydrophobicContact CD2-CG2 3.53Å; F290-V844 HydrophobicContact CE2-CG2 4.22Å; F290-V844 HydrophobicContact CG-CB 4.45Å; F290-V844 HydrophobicContact CG-CG2 3.9Å
291	I	88	Confident	89.8	Confident	22 Å²	22	42.8 Å²	42.8	11%	0.113	22%	0.223	C	C	.	.	H	α-helix	trans	-56.6	-42.5	177.1	-71.2	159.5	0	0	0	110.9	F99 I287 E288 I293 I294 T295	F99-I291 HydrophobicContact CD1-CG1 4.5Å; F99-I291 HydrophobicContact CD1-CG2 4.45Å; F99-I291 HydrophobicContact CD2-CD1 4.45Å; F99-I291 HydrophobicContact CD2-CG1 3.91Å; F99-I291 HydrophobicContact CE1-CB 4.47Å; F99-I291 HydrophobicContact CE1-CG1 4.16Å; F99-I291 HydrophobicContact CE1-CG2 4.36Å; F99-I291 HydrophobicContact CE2-CD1 4.41Å; F99-I291 HydrophobicContact CE2-CG1 3.53Å; F99-I291 HydrophobicContact CG-CG1 4.38Å; F99-I291 HydrophobicContact CZ-CB 4.3Å; F99-I291 HydrophobicContact CZ-CG1 3.66Å; I287-I291 HydrophobicContact CG2-CD1 3.68Å; I287-I291 HydrophobicContact CG2-CG1 4.41Å; I287-I291 WeakPolarHBondContact O-CD1 3.36Å; I287-I291 VanDerWaalsContact O-CG1 3.24Å; I287-I291 WeakPolarHBondContact O-CG1 3.36Å; I287-I291 PolarHBondContact O-N 2.85Å; E288-I291 PolarHBondContact O-N 3.4Å; I291-I293 PolarHBondContact O-N 2.89Å; I291-I294 PolarHBondContact O-N 2.96Å; I291-T295 WeakPolarHBondContact O-CB 3.35Å; I291-T295 PolarHBondContact O-N 3.48Å; I291-T295 PolarHBondContact O-OG1 2.9Å
292	H	89.3	Confident	89.8	Confident	120 Å²	120	41.7 Å²	41.7	56%	0.556	22%	0.216	S	C	*	.	H	α-helix	trans	-64	-37.7	177.6	-69.6	134.7	0	0	0	113	E288 H289 F290 G296	E288-H292 VanDerWaalsContact CG-CE1 3.48Å; E288-H292 WeakPolarHBondContact CG-CE1 3.33Å; E288-H292 PolarHBondContact O-N 3.41Å; E288-H292 VanDerWaalsContact O-N 3.07Å; E288-H292 PolarHBondContact O-ND1 2.9Å; H289-H292 PolarHBondContact O-N 3.4Å; F290-H292 VanDerWaalsContact C-N 3.28Å; F290-H292 PolarHBondContact O-N 3.47Å; H292-G296 PolarHBondContact O-N 2.74Å
293	I	90.7	Very high	89.8	Confident	49 Å²	49	44.7 Å²	44.7	25%	0.251	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-53.3	176	-67.9	167.7	0	0	0	110.4	H289 F290 I291 T295 G296 V297	H289-I293 WeakPolarHBondContact O-CG1 3.13Å; H289-I293 PolarHBondContact O-N 3.45Å; F290-I293 PolarHBondContact O-N 3.06Å; F290-I293 VanDerWaalsContact O-N 3.1Å; I291-I293 PolarHBondContact O-N 2.89Å; I293-T295 PolarHBondContact O-N 3.36Å; I293-G296 PolarHBondContact O-N 2.93Å; I293-G296 VanDerWaalsContact O-N 3.17Å; I293-V297 PolarHBondContact O-N 2.94Å
294	I	89.2	Confident	89.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-43.6	-178	-62.1	-55.4	0	0	0	111.3	F99 F290 I291 G296 V297 A298 N330 L779 I849	F99-I294 HydrophobicContact CE1-CB 4.13Å; F99-I294 HydrophobicContact CE1-CG2 4Å; F99-I294 HydrophobicContact CZ-CB 4.38Å; F99-I294 HydrophobicContact CZ-CG2 4.5Å; F290-I294 HydrophobicContact CD2-CG1 3.8Å; F290-I294 HydrophobicContact CE2-CB 4.49Å; F290-I294 HydrophobicContact CE2-CD1 3.87Å; F290-I294 HydrophobicContact CE2-CG1 3.2Å; F290-I294 HydrophobicContact CZ-CG1 3.82Å; F290-I294 PolarHBondContact O-N 3.49Å; F290-I294 VanDerWaalsContact O-N 3.07Å; I291-I294 PolarHBondContact O-N 2.96Å; I294-G296 VanDerWaalsContact C-N 3.26Å; I294-G296 PolarHBondContact O-N 2.88Å; I294-V297 PolarHBondContact O-N 3.05Å; I294-A298 VanDerWaalsContact O-CB 3.29Å; I294-A298 WeakPolarHBondContact O-CB 3.49Å; I294-A298 PolarHBondContact O-N 3.36Å; I294-N330 WeakPolarHBondContact CG2-O 3.41Å; I294-L779 HydrophobicContact CD1-CD1 4.4Å; I294-L779 HydrophobicContact CD1-CD2 3.78Å; I294-L779 HydrophobicContact CG1-CD2 4.32Å; I294-I849 HydrophobicContact CD1-CD1 4.32Å
295	T	88.2	Confident	90	Very high	41 Å²	41	47.7 Å²	47.7	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-38.8	175.2	-55.4	0	0	0	0	111.2	L102 I291 I293 V299	L102-T295 HydrophobicContact CD2-CG2 4.32Å; I291-T295 WeakPolarHBondContact O-CB 3.35Å; I291-T295 PolarHBondContact O-N 3.48Å; I291-T295 PolarHBondContact O-OG1 2.9Å; I293-T295 PolarHBondContact O-N 3.36Å; T295-V299 HydrophobicContact CG2-CG2 4.24Å; T295-V299 WeakPolarHBondContact O-CB 3.32Å; T295-V299 VanDerWaalsContact O-CG2 3.28Å; T295-V299 WeakPolarHBondContact O-CG2 3.29Å; T295-V299 PolarHBondContact O-N 3.16Å
296	G	90.3	Very high	89.9	Confident	42 Å²	42	44.1 Å²	44.1	43%	0.433	24%	0.236	S	C	.	.	H	α-helix	trans	-61	-46.2	174.9	0	0	0	0	0	112.9	H292 I293 I294 F300	H292-G296 PolarHBondContact O-N 2.74Å; I293-G296 PolarHBondContact O-N 2.93Å; I293-G296 VanDerWaalsContact O-N 3.17Å; I294-G296 VanDerWaalsContact C-N 3.26Å; I294-G296 PolarHBondContact O-N 2.88Å; G296-F300 WeakPolarHBondContact O-CB 3.45Å; G296-F300 PolarHBondContact O-N 2.63Å
297	V	90.1	Very high	89.9	Confident	43 Å²	43	48.6 Å²	48.6	26%	0.261	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-46.5	176.6	176.3	0	0	0	0	111.4	I293 I294 V299 F300 L301 Y853	I293-V297 PolarHBondContact O-N 2.94Å; I294-V297 PolarHBondContact O-N 3.05Å; V297-V299 PolarHBondContact O-N 2.55Å; V297-F300 PolarHBondContact O-N 3.31Å; V297-L301 HydrophobicContact CG1-CD1 3.87Å; V297-L301 HydrophobicContact CG1-CG 4.31Å; V297-L301 WeakPolarHBondContact O-CB 3.31Å; V297-L301 WeakPolarHBondContact O-CG 3.5Å; V297-L301 PolarHBondContact O-N 3.48Å; V297-Y853 HydrophobicContact CG1-CE2 4.21Å
298	A	88.4	Confident	90.1	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-48.6	179.2	0	0	0	0	0	112.3	I294 G302 N330	I294-A298 VanDerWaalsContact O-CB 3.29Å; I294-A298 WeakPolarHBondContact O-CB 3.49Å; I294-A298 PolarHBondContact O-N 3.36Å; A298-G302 PolarHBondContact O-N 3.02Å; A298-N330 HydrophobicContact CB-CB 3.48Å; A298-N330 VanDerWaalsContact CB-CB 3.48Å
299	V	89.5	Confident	90.1	Very high	67 Å²	67	46.6 Å²	46.6	41%	0.406	25%	0.25	S	S	.	.	H	α-helix	trans	-69.9	-39.3	178.4	173.7	0	0	0	0	111.1	T295 V297 V303	T295-V299 HydrophobicContact CG2-CG2 4.24Å; T295-V299 WeakPolarHBondContact O-CB 3.32Å; T295-V299 VanDerWaalsContact O-CG2 3.28Å; T295-V299 WeakPolarHBondContact O-CG2 3.29Å; T295-V299 PolarHBondContact O-N 3.16Å; V297-V299 PolarHBondContact O-N 2.55Å; V299-V303 HydrophobicContact CG1-CG2 4.11Å; V299-V303 WeakPolarHBondContact O-CB 3.41Å; V299-V303 VanDerWaalsContact O-CG2 3.31Å; V299-V303 WeakPolarHBondContact O-CG2 3.41Å; V299-V303 PolarHBondContact O-N 3.22Å
300	F	93	Very high	90.1	Very high	137 Å²	137	45.7 Å²	45.7	60%	0.601	25%	0.248	S	C	*	.	H	α-helix	trans	-61	-50.1	176.5	172.1	-103.3	0	0	0	112	G296 V297 T304	G296-F300 WeakPolarHBondContact O-CB 3.45Å; G296-F300 PolarHBondContact O-N 2.63Å; V297-F300 PolarHBondContact O-N 3.31Å; F300-T304 WeakPolarHBondContact O-CB 3.47Å; F300-T304 PolarHBondContact O-N 2.71Å; F300-T304 PolarHBondContact O-OG1 2.82Å
301	L	90.7	Very high	90.3	Very high	37 Å²	37	51 Å²	51	19%	0.194	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-49.9	177	-68.6	177.4	0	0	0	110.7	V297 V303 T304 F305 I326	V297-L301 HydrophobicContact CG1-CD1 3.87Å; V297-L301 HydrophobicContact CG1-CG 4.31Å; V297-L301 WeakPolarHBondContact O-CB 3.31Å; V297-L301 WeakPolarHBondContact O-CG 3.5Å; V297-L301 PolarHBondContact O-N 3.48Å; L301-V303 PolarHBondContact O-N 3.5Å; L301-T304 PolarHBondContact O-N 3.08Å; L301-F305 HydrophobicContact CD2-CE2 4.32Å; L301-F305 WeakPolarHBondContact O-CB 3.47Å; L301-F305 WeakPolarHBondContact O-CD2 3.41Å; L301-F305 PolarHBondContact O-N 2.99Å; L301-I326 HydrophobicContact CB-CG2 4.05Å
302	G	89.6	Confident	90.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.2	-52.2	179.8	0	0	0	0	0	112.9	A298 F306 L323	A298-G302 PolarHBondContact O-N 3.02Å; G302-F306 WeakPolarHBondContact O-CB 3.35Å; G302-F306 PolarHBondContact O-N 3.23Å; G302-L323 WeakPolarHBondContact O-CD1 3.32Å
303	V	90.8	Very high	90.2	Very high	68 Å²	68	51.8 Å²	51.8	41%	0.412	30%	0.304	S	S	.	.	H	α-helix	trans	-68.4	-38.8	-180	175.1	0	0	0	0	111.9	V299 L301 F306 I307	V299-V303 HydrophobicContact CG1-CG2 4.11Å; V299-V303 WeakPolarHBondContact O-CB 3.41Å; V299-V303 VanDerWaalsContact O-CG2 3.31Å; V299-V303 WeakPolarHBondContact O-CG2 3.41Å; V299-V303 PolarHBondContact O-N 3.22Å; L301-V303 PolarHBondContact O-N 3.5Å; V303-F306 PolarHBondContact O-N 3.48Å; V303-I307 HydrophobicContact CG1-CD1 3.9Å; V303-I307 HydrophobicContact CG1-CG1 4.5Å; V303-I307 WeakPolarHBondContact O-CG1 3.26Å; V303-I307 PolarHBondContact O-N 3.45Å
304	T	92.9	Very high	89.9	Confident	56 Å²	56	50.6 Å²	50.6	34%	0.344	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-46.9	178.4	-59.9	0	0	0	0	111.2	F300 L301 I307 L308	F300-T304 WeakPolarHBondContact O-CB 3.47Å; F300-T304 PolarHBondContact O-N 2.71Å; F300-T304 PolarHBondContact O-OG1 2.82Å; L301-T304 PolarHBondContact O-N 3.08Å; T304-I307 PolarHBondContact O-N 2.98Å; T304-L308 VanDerWaalsContact O-CB 3.29Å; T304-L308 WeakPolarHBondContact O-CB 3.24Å; T304-L308 PolarHBondContact O-N 3.33Å
305	F	89.8	Confident	89.8	Confident	27 Å²	27	54.3 Å²	54.3	12%	0.118	32%	0.319	C	S	.	.	H	α-helix	trans	-74.5	-29.2	178.9	-81.7	-91.8	0	0	0	113	L301 L308 S309 I326 L790 L794	L301-F305 HydrophobicContact CD2-CE2 4.32Å; L301-F305 WeakPolarHBondContact O-CB 3.47Å; L301-F305 WeakPolarHBondContact O-CD2 3.41Å; L301-F305 PolarHBondContact O-N 2.99Å; F305-L308 PolarHBondContact O-N 3.22Å; F305-S309 WeakPolarHBondContact O-CB 3.28Å; F305-S309 PolarHBondContact O-N 3.46Å; F305-S309 PolarHBondContact O-OG 3.14Å; F305-I326 HydrophobicContact CB-CD1 3.45Å; F305-I326 VanDerWaalsContact CB-CD1 3.45Å; F305-I326 HydrophobicContact CG-CD1 4Å; F305-L790 HydrophobicContact CD1-CD2 3.86Å; F305-L790 HydrophobicContact CD2-CD2 3.92Å; F305-L790 HydrophobicContact CE1-CB 3.98Å; F305-L790 HydrophobicContact CE1-CD1 4.47Å; F305-L790 HydrophobicContact CE1-CD2 3.75Å; F305-L790 HydrophobicContact CE1-CG 4.24Å; F305-L790 HydrophobicContact CE2-CD1 4.13Å; F305-L790 HydrophobicContact CE2-CD2 3.82Å; F305-L790 HydrophobicContact CG-CD2 3.95Å; F305-L790 HydrophobicContact CZ-CB 4.16Å; F305-L790 HydrophobicContact CZ-CD1 3.85Å; F305-L790 HydrophobicContact CZ-CD2 3.73Å; F305-L790 HydrophobicContact CZ-CG 4.1Å; F305-L794 HydrophobicContact CE1-CD1 3.8Å; F305-L794 HydrophobicContact CE1-CD2 4.22Å; F305-L794 HydrophobicContact CE1-CG 3.92Å; F305-L794 HydrophobicContact CZ-CD1 4.25Å
306	F	90.3	Very high	89.7	Confident	37 Å²	37	61.4 Å²	61.4	16%	0.162	34%	0.342	C	S	.	.	H	α-helix	trans	-58.6	-54.2	168.1	176.9	-96	0	0	0	111.1	G302 V303 L308 S309 L310 W316 A319 V320 L323	G302-F306 WeakPolarHBondContact O-CB 3.35Å; G302-F306 PolarHBondContact O-N 3.23Å; V303-F306 PolarHBondContact O-N 3.48Å; F306-L308 VanDerWaalsContact C-N 3.31Å; F306-L308 PolarHBondContact O-N 2.55Å; F306-S309 PolarHBondContact O-N 3.37Å; F306-S309 PolarHBondContact O-OG 3.28Å; F306-L310 HydrophobicContact CD1-CD1 4.21Å; F306-L310 HydrophobicContact CE1-CD1 3.59Å; F306-L310 HydrophobicContact CZ-CD1 3.84Å; F306-L310 PolarHBondContact O-N 2.67Å; F306-W316 HydrophobicContact CZ-CE3 4.14Å; F306-W316 HydrophobicContact CZ-CZ3 4.07Å; F306-A319 HydrophobicContact CD2-CB 3.72Å; F306-A319 WeakPolarHBondContact CD2-O 3.48Å; F306-A319 HydrophobicContact CE2-CB 3.56Å; F306-A319 HydrophobicContact CZ-CB 4.4Å; F306-V320 HydrophobicContact CE2-CG2 3.96Å; F306-L323 HydrophobicContact CB-CB 4.44Å; F306-L323 HydrophobicContact CB-CD1 4.45Å; F306-L323 HydrophobicContact CD2-CB 4.1Å; F306-L323 HydrophobicContact CD2-CD2 4.2Å
307	I	92.4	Very high	89.2	Confident	97 Å²	97	61.3 Å²	61.3	50%	0.497	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-44.5	177.7	-66.4	166	0	0	0	110.5	V303 T304 S309 L310 V311	V303-I307 HydrophobicContact CG1-CD1 3.9Å; V303-I307 HydrophobicContact CG1-CG1 4.5Å; V303-I307 WeakPolarHBondContact O-CG1 3.26Å; V303-I307 PolarHBondContact O-N 3.45Å; T304-I307 PolarHBondContact O-N 2.98Å; I307-S309 VanDerWaalsContact C-N 3.34Å; I307-S309 PolarHBondContact O-N 3.1Å; I307-L310 PolarHBondContact O-N 2.61Å; I307-V311 WeakPolarHBondContact O-CG2 3.5Å; I307-V311 PolarHBondContact O-N 3.42Å
308	L	90.6	Very high	88.8	Confident	59 Å²	59	61.9 Å²	61.9	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-65.9	-35.6	-179	-169.3	144	0	0	0	112.3	T304 F305 F306 V311 L312 L794	T304-L308 VanDerWaalsContact O-CB 3.29Å; T304-L308 WeakPolarHBondContact O-CB 3.24Å; T304-L308 PolarHBondContact O-N 3.33Å; F305-L308 PolarHBondContact O-N 3.22Å; F306-L308 VanDerWaalsContact C-N 3.31Å; F306-L308 PolarHBondContact O-N 2.55Å; L308-V311 PolarHBondContact O-N 2.6Å; L308-L312 HydrophobicContact CD2-CD1 3.55Å; L308-L312 HydrophobicContact CD2-CG 4.04Å; L308-L312 WeakPolarHBondContact O-CG 3.23Å; L308-L312 PolarHBondContact O-N 2.69Å; L308-L794 HydrophobicContact CD1-CD2 4.36Å; L308-L794 HydrophobicContact CD2-CD2 3.45Å; L308-L794 VanDerWaalsContact CD2-CD2 3.45Å
309	S	89.3	Confident	88.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-42	173.9	72.6	0	0	0	0	112.1	F305 F306 I307 V311 L312 G313 Y314 A319	F305-S309 WeakPolarHBondContact O-CB 3.28Å; F305-S309 PolarHBondContact O-N 3.46Å; F305-S309 PolarHBondContact O-OG 3.14Å; F306-S309 PolarHBondContact O-N 3.37Å; F306-S309 PolarHBondContact O-OG 3.28Å; I307-S309 VanDerWaalsContact C-N 3.34Å; I307-S309 PolarHBondContact O-N 3.1Å; S309-V311 VanDerWaalsContact C-N 3.3Å; S309-V311 PolarHBondContact O-N 2.77Å; S309-L312 PolarHBondContact O-N 3.38Å; S309-G313 PolarHBondContact O-N 2.84Å; S309-Y314 WeakPolarHBondContact O-CB 3.29Å; S309-Y314 WeakPolarHBondContact O-CD2 3.28Å; S309-Y314 PolarHBondContact O-N 2.85Å; S309-Y314 VanDerWaalsContact O-N 3.08Å; S309-A319 VanDerWaalsContact OG-CB 3.24Å; S309-A319 WeakPolarHBondContact OG-CB 3.41Å
310	L	90.7	Very high	88.4	Confident	51 Å²	51	60.5 Å²	60.5	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-63.5	-36.2	173.9	-65.1	176.1	0	0	0	111.9	F306 I307 G313 W316 A319	F306-L310 HydrophobicContact CD1-CD1 4.21Å; F306-L310 HydrophobicContact CE1-CD1 3.59Å; F306-L310 HydrophobicContact CZ-CD1 3.84Å; F306-L310 PolarHBondContact O-N 2.67Å; I307-L310 PolarHBondContact O-N 2.61Å; L310-G313 PolarHBondContact O-N 2.85Å; L310-W316 HydrophobicContact CD1-CZ2 4.42Å; L310-W316 HydrophobicContact CD2-CD2 4.34Å; L310-W316 HydrophobicContact CD2-CG 4.26Å; L310-A319 HydrophobicContact CD2-CB 3.8Å; L310-A319 HydrophobicContact CG-CB 4.13Å
311	V	92.6	Very high	87.8	Confident	117 Å²	117	56.1 Å²	56.1	71%	0.709	31%	0.305	S	S	*	.	H	α-helix	trans	-68.3	-34.5	174.8	171	0	0	0	0	112.2	I307 L308 S309 G313	I307-V311 WeakPolarHBondContact O-CG2 3.5Å; I307-V311 PolarHBondContact O-N 3.42Å; L308-V311 PolarHBondContact O-N 2.6Å; S309-V311 VanDerWaalsContact C-N 3.3Å; S309-V311 PolarHBondContact O-N 2.77Å; V311-G313 PolarHBondContact O-N 2.98Å
312	L	87.6	Confident	87.5	Confident	93 Å²	93	54.7 Å²	54.7	49%	0.487	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-4	173.9	-69.8	178.2	0	0	0	113.7	L308 S309 Y314 I793	L308-L312 HydrophobicContact CD2-CD1 3.55Å; L308-L312 HydrophobicContact CD2-CG 4.04Å; L308-L312 WeakPolarHBondContact O-CG 3.23Å; L308-L312 PolarHBondContact O-N 2.69Å; S309-L312 PolarHBondContact O-N 3.38Å; L312-Y314 HydrophobicContact CB-CD2 4.1Å; L312-Y314 HydrophobicContact CB-CE2 4.24Å; L312-Y314 HydrophobicContact CD1-CE2 4.49Å; L312-I793 HydrophobicContact CD1-CG2 4.44Å; L312-I793 WeakPolarHBondContact CD1-O 3.49Å
313	G	86.7	Confident	87.3	Confident	66 Å²	66	56.3 Å²	56.3	68%	0.68	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	12.7	175.1	0	0	0	0	0	115.4	S309 L310 V311	S309-G313 PolarHBondContact O-N 2.84Å; L310-G313 PolarHBondContact O-N 2.85Å; V311-G313 PolarHBondContact O-N 2.98Å
314	Y	86.2	Confident	86.8	Confident	24 Å²	24	53.2 Å²	53.2	9%	0.094	29%	0.287	C	S	.	.			trans	-66.4	152.2	172.3	-74.1	-78	0	0	0	112.1	S309 L312 E318 F322 I793 N796 R886	S309-Y314 WeakPolarHBondContact O-CB 3.29Å; S309-Y314 WeakPolarHBondContact O-CD2 3.28Å; S309-Y314 PolarHBondContact O-N 2.85Å; S309-Y314 VanDerWaalsContact O-N 3.08Å; L312-Y314 HydrophobicContact CB-CD2 4.1Å; L312-Y314 HydrophobicContact CB-CE2 4.24Å; L312-Y314 HydrophobicContact CD1-CE2 4.49Å; Y314-E318 HydrophobicContact CD1-CB 4.31Å; Y314-F322 AromaticContact CD1-CE2 3.66Å; Y314-F322 HydrophobicContact CD1-CE2 3.66Å; Y314-F322 AromaticContact CD1-CZ 3.8Å; Y314-F322 HydrophobicContact CD1-CZ 3.8Å; Y314-F322 AromaticContact CD2-CE2 4Å; Y314-F322 HydrophobicContact CD2-CE2 4Å; Y314-F322 AromaticContact CE1-CE2 3.86Å; Y314-F322 HydrophobicContact CE1-CE2 3.86Å; Y314-F322 AromaticContact CE1-CZ 3.76Å; Y314-F322 HydrophobicContact CE1-CZ 3.76Å; Y314-F322 HydrophobicContact CE2-CE2 4.17Å; Y314-F322 AromaticContact CG-CE2 3.71Å; Y314-F322 HydrophobicContact CG-CE2 3.71Å; Y314-F322 HydrophobicContact CG-CZ 4.33Å; Y314-I793 HydrophobicContact CE2-CG2 4.18Å; Y314-N796 PolarHBondContact OH-OD1 3.33Å; Y314-R886 PolarHBondContact OH-NH1 3.46Å
315	T	87.1	Confident	86.3	Confident	78 Å²	78	50.8 Å²	50.8	48%	0.479	27%	0.272	S	S	.	.			trans	-69.2	157.7	174.6	66.8	0	0	0	0	111.5	L317 E318 A319	T315-L317 PolarHBondContact O-N 3.46Å; T315-E318 VanDerWaalsContact CB-OE2 3.31Å; T315-E318 WeakPolarHBondContact CB-OE2 3.39Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.4Å; T315-E318 PolarHBondContact N-OE2 3.14Å; T315-E318 PolarHBondContact O-N 2.94Å; T315-E318 VanDerWaalsContact OG1-CG 3.28Å; T315-E318 WeakPolarHBondContact OG1-CG 3.46Å; T315-E318 PolarHBondContact OG1-N 2.95Å; T315-E318 PolarHBondContact OG1-OE2 2.9Å; T315-A319 WeakPolarHBondContact O-CB 3.26Å; T315-A319 PolarHBondContact O-N 2.93Å
316	W	84.8	Confident	86.2	Confident	190 Å²	190	49.5 Å²	49.5	72%	0.72	27%	0.267	S	S	*	.	H	α-helix	trans	-57.9	-32.8	175.6	-81.4	78.8	0	0	0	113.1	F306 L310 V320	F306-W316 HydrophobicContact CZ-CE3 4.14Å; F306-W316 HydrophobicContact CZ-CZ3 4.07Å; L310-W316 HydrophobicContact CD1-CZ2 4.42Å; L310-W316 HydrophobicContact CD2-CD2 4.34Å; L310-W316 HydrophobicContact CD2-CG 4.26Å; W316-V320 VanDerWaalsContact O-CG2 3.31Å; W316-V320 WeakPolarHBondContact O-CG2 3.48Å; W316-V320 PolarHBondContact O-N 2.91Å; W316-V320 VanDerWaalsContact O-N 3.1Å
317	L	80.9	Confident	85.9	Confident	40 Å²	40	48.5 Å²	48.5	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-70.5	-47.8	179.1	-178.2	60.8	0	0	0	111.3	I116 Q117 T315 A319 V320 I321	I116-L317 HydrophobicContact CB-CD1 4.23Å; I116-L317 HydrophobicContact CG2-CD1 3.94Å; I116-L317 HydrophobicContact CG2-CD2 4.26Å; Q117-L317 HydrophobicContact CG-CD2 3.91Å; T315-L317 PolarHBondContact O-N 3.46Å; L317-A319 PolarHBondContact O-N 3.21Å; L317-V320 PolarHBondContact O-N 3.33Å; L317-I321 HydrophobicContact CD1-CD1 4.42Å; L317-I321 HydrophobicContact CG-CD1 4.2Å; L317-I321 WeakPolarHBondContact O-CG1 3.48Å; L317-I321 PolarHBondContact O-N 2.98Å
318	E	81.2	Confident	85.3	Confident	55 Å²	55	44 Å²	44	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-44.3	175.1	-68.5	166.7	112.8	0	0	111.6	Y314 T315 V320 I321 F322	Y314-E318 HydrophobicContact CD1-CB 4.31Å; T315-E318 VanDerWaalsContact CB-OE2 3.31Å; T315-E318 WeakPolarHBondContact CB-OE2 3.39Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.4Å; T315-E318 PolarHBondContact N-OE2 3.14Å; T315-E318 PolarHBondContact O-N 2.94Å; T315-E318 VanDerWaalsContact OG1-CG 3.28Å; T315-E318 WeakPolarHBondContact OG1-CG 3.46Å; T315-E318 PolarHBondContact OG1-N 2.95Å; T315-E318 PolarHBondContact OG1-OE2 2.9Å; E318-V320 VanDerWaalsContact C-N 3.31Å; E318-V320 PolarHBondContact O-N 3.45Å; E318-I321 PolarHBondContact O-N 2.89Å; E318-I321 VanDerWaalsContact O-N 3.1Å; E318-F322 HydrophobicContact CB-CE1 4.36Å; E318-F322 HydrophobicContact CB-CE2 4.09Å; E318-F322 HydrophobicContact CB-CZ 3.79Å; E318-F322 WeakPolarHBondContact O-CD1 3.43Å; E318-F322 WeakPolarHBondContact O-CD2 3.47Å; E318-F322 WeakPolarHBondContact O-CG 3.2Å; E318-F322 PolarHBondContact O-N 3.28Å
319	A	85.9	Confident	85.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.3	-43.3	176.3	0	0	0	0	0	111.8	F306 S309 L310 T315 L317 F322 L323	F306-A319 HydrophobicContact CD2-CB 3.72Å; F306-A319 WeakPolarHBondContact CD2-O 3.48Å; F306-A319 HydrophobicContact CE2-CB 3.56Å; F306-A319 HydrophobicContact CZ-CB 4.4Å; S309-A319 VanDerWaalsContact OG-CB 3.24Å; S309-A319 WeakPolarHBondContact OG-CB 3.41Å; L310-A319 HydrophobicContact CD2-CB 3.8Å; L310-A319 HydrophobicContact CG-CB 4.13Å; T315-A319 WeakPolarHBondContact O-CB 3.26Å; T315-A319 PolarHBondContact O-N 2.93Å; L317-A319 PolarHBondContact O-N 3.21Å; A319-F322 PolarHBondContact O-N 2.91Å; A319-L323 WeakPolarHBondContact O-CB 3.3Å; A319-L323 PolarHBondContact O-N 2.84Å
320	V	82.9	Confident	85	Confident	38 Å²	38	41.2 Å²	41.2	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-41.1	174.5	169	0	0	0	0	111.7	F306 W316 L317 E318 F322 L323 I324	F306-V320 HydrophobicContact CE2-CG2 3.96Å; W316-V320 VanDerWaalsContact O-CG2 3.31Å; W316-V320 WeakPolarHBondContact O-CG2 3.48Å; W316-V320 PolarHBondContact O-N 2.91Å; W316-V320 VanDerWaalsContact O-N 3.1Å; L317-V320 PolarHBondContact O-N 3.33Å; E318-V320 VanDerWaalsContact C-N 3.31Å; E318-V320 PolarHBondContact O-N 3.45Å; V320-F322 VanDerWaalsContact C-N 3.34Å; V320-F322 PolarHBondContact O-N 3.26Å; V320-L323 WeakPolarHBondContact O-CB 3.42Å; V320-L323 PolarHBondContact O-N 3.41Å; V320-I324 HydrophobicContact CG1-CD1 4.08Å; V320-I324 VanDerWaalsContact O-CG1 3.29Å; V320-I324 WeakPolarHBondContact O-CG1 3.23Å; V320-I324 PolarHBondContact O-N 2.93Å
321	I	80.8	Confident	84.8	Confident	45 Å²	45	38.8 Å²	38.8	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-40.7	176.4	-67.9	165.6	0	0	0	111	A113 L317 E318 I324 G325	A113-I321 HydrophobicContact CB-CG1 4.28Å; L317-I321 HydrophobicContact CD1-CD1 4.42Å; L317-I321 HydrophobicContact CG-CD1 4.2Å; L317-I321 WeakPolarHBondContact O-CG1 3.48Å; L317-I321 PolarHBondContact O-N 2.98Å; E318-I321 PolarHBondContact O-N 2.89Å; E318-I321 VanDerWaalsContact O-N 3.1Å; I321-I324 PolarHBondContact O-N 3.48Å; I321-G325 PolarHBondContact O-N 3.01Å
322	F	83.8	Confident	84.4	Confident	8 Å²	8	33.3 Å²	33.3	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-40.7	175	-56	-20.5	0	0	0	112.2	Y314 E318 A319 V320 I324 G325 I326 F792 I793 R886	Y314-F322 AromaticContact CD1-CE2 3.66Å; Y314-F322 HydrophobicContact CD1-CE2 3.66Å; Y314-F322 AromaticContact CD1-CZ 3.8Å; Y314-F322 HydrophobicContact CD1-CZ 3.8Å; Y314-F322 AromaticContact CD2-CE2 4Å; Y314-F322 HydrophobicContact CD2-CE2 4Å; Y314-F322 AromaticContact CE1-CE2 3.86Å; Y314-F322 HydrophobicContact CE1-CE2 3.86Å; Y314-F322 AromaticContact CE1-CZ 3.76Å; Y314-F322 HydrophobicContact CE1-CZ 3.76Å; Y314-F322 HydrophobicContact CE2-CE2 4.17Å; Y314-F322 AromaticContact CG-CE2 3.71Å; Y314-F322 HydrophobicContact CG-CE2 3.71Å; Y314-F322 HydrophobicContact CG-CZ 4.33Å; E318-F322 HydrophobicContact CB-CE1 4.36Å; E318-F322 HydrophobicContact CB-CE2 4.09Å; E318-F322 HydrophobicContact CB-CZ 3.79Å; E318-F322 WeakPolarHBondContact O-CD1 3.43Å; E318-F322 WeakPolarHBondContact O-CD2 3.47Å; E318-F322 WeakPolarHBondContact O-CG 3.2Å; E318-F322 PolarHBondContact O-N 3.28Å; A319-F322 PolarHBondContact O-N 2.91Å; V320-F322 VanDerWaalsContact C-N 3.34Å; V320-F322 PolarHBondContact O-N 3.26Å; F322-I324 VanDerWaalsContact C-N 3.32Å; F322-I324 PolarHBondContact O-N 3.44Å; F322-G325 PolarHBondContact O-N 2.85Å; F322-I326 WeakPolarHBondContact O-CB 3.42Å; F322-I326 VanDerWaalsContact O-CG1 3.31Å; F322-I326 WeakPolarHBondContact O-CG1 3.18Å; F322-I326 PolarHBondContact O-N 3.38Å; F322-F792 HydrophobicContact CD1-CE1 4.26Å; F322-F792 HydrophobicContact CE1-CD1 4.34Å; F322-F792 AromaticContact CE1-CE1 3.71Å; F322-F792 HydrophobicContact CE1-CE1 3.71Å; F322-F792 HydrophobicContact CZ-CE1 4.44Å; F322-I793 HydrophobicContact CB-CD1 3.72Å; F322-I793 HydrophobicContact CB-CG1 4.44Å; F322-I793 HydrophobicContact CD1-CG1 4.4Å; F322-I793 HydrophobicContact CD2-CD1 3.87Å; F322-I793 HydrophobicContact CD2-CG1 3.74Å; F322-I793 HydrophobicContact CE2-CG1 4.1Å; F322-I793 HydrophobicContact CG-CD1 3.77Å; F322-I793 HydrophobicContact CG-CG1 3.93Å; F322-R886 VanDerWaalsContact CZ-NH1 3.3Å
323	L	85.4	Confident	84.2	Confident	33 Å²	33	29.2 Å²	29.2	17%	0.173	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-44.1	174.5	174.2	64.3	0	0	0	111.3	G302 F306 A319 V320 I327	G302-L323 WeakPolarHBondContact O-CD1 3.32Å; F306-L323 HydrophobicContact CB-CB 4.44Å; F306-L323 HydrophobicContact CB-CD1 4.45Å; F306-L323 HydrophobicContact CD2-CB 4.1Å; F306-L323 HydrophobicContact CD2-CD2 4.2Å; A319-L323 WeakPolarHBondContact O-CB 3.3Å; A319-L323 PolarHBondContact O-N 2.84Å; V320-L323 WeakPolarHBondContact O-CB 3.42Å; V320-L323 PolarHBondContact O-N 3.41Å; L323-I327 HydrophobicContact CD1-CD1 3.78Å; L323-I327 HydrophobicContact CD1-CG1 4.3Å; L323-I327 HydrophobicContact CG-CD1 4.01Å; L323-I327 WeakPolarHBondContact O-CB 3.49Å; L323-I327 VanDerWaalsContact O-CG1 3.28Å; L323-I327 WeakPolarHBondContact O-CG1 3.46Å; L323-I327 PolarHBondContact O-N 3.46Å
324	I	82	Confident	84	Confident	4 Å²	4	26.1 Å²	26.1	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-52.3	174.7	-64.8	162.8	0	0	0	110.2	L109 C110 A113 V320 I321 F322 I326 I327 V328	L109-I324 HydrophobicContact CB-CD1 3.68Å; L109-I324 HydrophobicContact CB-CG1 3.69Å; L109-I324 HydrophobicContact CD1-CG1 4.28Å; C110-I324 VanDerWaalsContact SG-CG2 3.57Å; A113-I324 HydrophobicContact CB-CD1 4.33Å; V320-I324 HydrophobicContact CG1-CD1 4.08Å; V320-I324 VanDerWaalsContact O-CG1 3.29Å; V320-I324 WeakPolarHBondContact O-CG1 3.23Å; V320-I324 PolarHBondContact O-N 2.93Å; I321-I324 PolarHBondContact O-N 3.48Å; F322-I324 VanDerWaalsContact C-N 3.32Å; F322-I324 PolarHBondContact O-N 3.44Å; I324-I326 VanDerWaalsContact C-N 3.34Å; I324-I326 PolarHBondContact O-N 2.97Å; I324-I327 PolarHBondContact O-N 3.23Å; I324-V328 HydrophobicContact CG2-CG2 4.27Å; I324-V328 WeakPolarHBondContact O-CG2 3.32Å; I324-V328 PolarHBondContact O-N 3.38Å
325	G	81.4	Confident	83.9	Confident	4 Å²	4	25.1 Å²	25.1	4%	0.041	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-42.6	-178.5	0	0	0	0	0	113.2	I321 F322 A329	I321-G325 PolarHBondContact O-N 3.01Å; F322-G325 PolarHBondContact O-N 2.85Å; G325-A329 WeakPolarHBondContact O-CB 3.45Å; G325-A329 PolarHBondContact O-N 2.89Å
326	I	87.1	Confident	83.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.4	-40.2	176.8	-66.8	170	0	0	0	111.4	L301 F305 F322 I324 N330 F789 L790 I793	L301-I326 HydrophobicContact CB-CG2 4.05Å; F305-I326 HydrophobicContact CB-CD1 3.45Å; F305-I326 VanDerWaalsContact CB-CD1 3.45Å; F305-I326 HydrophobicContact CG-CD1 4Å; F322-I326 WeakPolarHBondContact O-CB 3.42Å; F322-I326 VanDerWaalsContact O-CG1 3.31Å; F322-I326 WeakPolarHBondContact O-CG1 3.18Å; F322-I326 PolarHBondContact O-N 3.38Å; I324-I326 VanDerWaalsContact C-N 3.34Å; I324-I326 PolarHBondContact O-N 2.97Å; I326-N330 PolarHBondContact O-N 3.33Å; I326-N330 PolarHBondContact O-ND2 2.94Å; I326-F789 HydrophobicContact CG1-CB 4.24Å; I326-L790 HydrophobicContact CD1-CD2 3.97Å; I326-L790 HydrophobicContact CG1-CD2 4.29Å; I326-I793 HydrophobicContact CD1-CD1 4Å
327	I	83.8	Confident	83.4	Confident	17 Å²	17	15.3 Å²	15.3	9%	0.087	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-47.5	176.4	-73.6	169.3	0	0	0	110.5	L102 L323 I324 N330 V331	L102-I327 HydrophobicContact CD1-CG2 3.72Å; L102-I327 HydrophobicContact CD2-CG2 4.36Å; L102-I327 HydrophobicContact CG-CG2 3.89Å; L323-I327 HydrophobicContact CD1-CD1 3.78Å; L323-I327 HydrophobicContact CD1-CG1 4.3Å; L323-I327 HydrophobicContact CG-CD1 4.01Å; L323-I327 WeakPolarHBondContact O-CB 3.49Å; L323-I327 VanDerWaalsContact O-CG1 3.28Å; L323-I327 WeakPolarHBondContact O-CG1 3.46Å; L323-I327 PolarHBondContact O-N 3.46Å; I324-I327 PolarHBondContact O-N 3.23Å; I327-N330 PolarHBondContact O-N 3.3Å; I327-V331 WeakPolarHBondContact O-CG2 3.41Å; I327-V331 PolarHBondContact O-N 3.49Å
328	V	81.1	Confident	83.8	Confident	2 Å²	2	13.4 Å²	13.4	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-58.2	-52.8	178.3	171.8	0	0	0	0	110.3	L135 I324 N330 V331 T803	L135-V328 HydrophobicContact CD1-CG2 3.96Å; I324-V328 HydrophobicContact CG2-CG2 4.27Å; I324-V328 WeakPolarHBondContact O-CG2 3.32Å; I324-V328 PolarHBondContact O-N 3.38Å; V328-N330 PolarHBondContact O-N 2.89Å; V328-V331 PolarHBondContact O-N 2.93Å; V328-T803 HydrophobicContact CG1-CG2 3.93Å
329	A	85.6	Confident	84.1	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.1	-13.4	178.9	0	0	0	0	0	115.2	G325 N782 E785 I786 I806	G325-A329 WeakPolarHBondContact O-CB 3.45Å; G325-A329 PolarHBondContact O-N 2.89Å; A329-N782 PolarHBondContact O-ND2 2.87Å; A329-E785 HydrophobicContact CB-CB 4.48Å; A329-I786 HydrophobicContact CB-CB 4.48Å; A329-I786 HydrophobicContact CB-CG1 3.72Å; A329-I786 VanDerWaalsContact O-CG1 3.29Å; A329-I786 WeakPolarHBondContact O-CG1 3.29Å; A329-I806 HydrophobicContact CB-CD1 3.93Å
330	N	87.3	Confident	84	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-95.1	-11.1	173.4	-84.4	-97.3	0	0	0	113.8	I294 A298 I326 I327 V328 P332 I786	I294-N330 WeakPolarHBondContact CG2-O 3.41Å; A298-N330 HydrophobicContact CB-CB 3.48Å; A298-N330 VanDerWaalsContact CB-CB 3.48Å; I326-N330 PolarHBondContact O-N 3.33Å; I326-N330 PolarHBondContact O-ND2 2.94Å; I327-N330 PolarHBondContact O-N 3.3Å; V328-N330 PolarHBondContact O-N 2.89Å; N330-P332 WeakPolarHBondContact O-CD 3.39Å; N330-I786 HydrophobicContact CB-CD1 4.34Å; N330-I786 VanDerWaalsContact ND2-CD1 3.34Å; N330-I786 WeakPolarHBondContact ND2-CD1 3.35Å; N330-I786 WeakPolarHBondContact ND2-CG1 3.33Å; N330-I786 WeakPolarHBondContact OD1-CD1 3.34Å
331	V	86	Confident	84.3	Confident	1 Å²	1	12 Å²	12	1%	0.006	7%	0.068	C	C	.	.	S	Bend	trans	-100.8	109	-178.2	178.1	0	0	0	0	109.1	F99 L102 L103 I327 V328 E333	F99-V331 HydrophobicContact CB-CG1 4.19Å; F99-V331 HydrophobicContact CD1-CG1 3.96Å; F99-V331 HydrophobicContact CG-CG1 4.25Å; L102-V331 HydrophobicContact CD2-CG2 3.36Å; L102-V331 HydrophobicContact CG-CG2 3.87Å; L103-V331 HydrophobicContact CD2-CB 4.27Å; L103-V331 HydrophobicContact CD2-CG1 3.8Å; L103-V331 HydrophobicContact CG-CG1 4.14Å; I327-V331 WeakPolarHBondContact O-CG2 3.41Å; I327-V331 PolarHBondContact O-N 3.49Å; V328-V331 PolarHBondContact O-N 2.93Å; V331-E333 HydrophobicContact CG1-CG 4.35Å; V331-E333 PolarHBondContact O-N 3.49Å
332	P	85.6	Confident	84.8	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.006	6%	0.057	C	C	.	.			trans	-75.3	90.6	179.9	31.4	-35.8	0	0	0	110	N330 G334 L335 T778 L779	N330-P332 WeakPolarHBondContact O-CD 3.39Å; P332-G334 VanDerWaalsContact C-N 3.32Å; P332-G334 PolarHBondContact O-N 3.31Å; P332-L335 HydrophobicContact CB-CB 3.95Å; P332-L335 HydrophobicContact CB-CD2 4.34Å; P332-L335 HydrophobicContact CG-CB 4.04Å; P332-L335 HydrophobicContact CG-CD2 3.83Å; P332-L335 WeakPolarHBondContact O-CB 3.48Å; P332-L335 PolarHBondContact O-N 3.02Å; P332-L335 VanDerWaalsContact O-N 3.12Å; P332-T778 HydrophobicContact CB-CG2 4.06Å; P332-L779 HydrophobicContact CG-CD2 4.11Å
333	E	83.4	Confident	85	Confident	8 Å²	8	9.9 Å²	9.9	4%	0.037	6%	0.058	C	C	.	.	H	α-helix	trans	-65.1	-34.4	-168.9	-63.6	101.5	159.3	0	0	113.2	L103 V138 V331 L335 L811	L103-E333 HydrophobicContact CD1-CG 3.86Å; L103-E333 HydrophobicContact CD2-CG 3.69Å; L103-E333 HydrophobicContact CG-CG 4.42Å; V138-E333 HydrophobicContact CG1-CB 4.14Å; V138-E333 HydrophobicContact CG1-CG 4.49Å; V331-E333 HydrophobicContact CG1-CG 4.35Å; V331-E333 PolarHBondContact O-N 3.49Å; E333-L335 PolarHBondContact O-N 3.36Å; E333-L811 HydrophobicContact CB-CD2 3.94Å; E333-L811 HydrophobicContact CB-CG 4.33Å
334	G	82.1	Confident	85.1	Confident	1 Å²	1	9.4 Å²	9.4	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-69.2	-17.6	177	0	0	0	0	0	114.5	P332 L336 A337 T338 D810	P332-G334 VanDerWaalsContact C-N 3.32Å; P332-G334 PolarHBondContact O-N 3.31Å; G334-L336 PolarHBondContact O-N 3.41Å; G334-A337 PolarHBondContact O-N 3.43Å; G334-T338 WeakPolarHBondContact O-CB 3.4Å; G334-T338 PolarHBondContact O-N 3.03Å; G334-T338 PolarHBondContact O-OG1 3.04Å; G334-D810 WeakPolarHBondContact CA-O 3.34Å
335	L	84.9	Confident	85.4	Confident	2 Å²	2	10.8 Å²	10.8	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-71.1	-38.6	-167.9	-174.8	58.7	0	0	0	113.4	F290 P332 E333 A337 T338 V339 I775 T778	F290-L335 HydrophobicContact CE1-CD2 3.53Å; F290-L335 HydrophobicContact CE2-CD2 4.46Å; F290-L335 HydrophobicContact CZ-CD2 3.33Å; P332-L335 HydrophobicContact CB-CB 3.95Å; P332-L335 HydrophobicContact CB-CD2 4.34Å; P332-L335 HydrophobicContact CG-CB 4.04Å; P332-L335 HydrophobicContact CG-CD2 3.83Å; P332-L335 WeakPolarHBondContact O-CB 3.48Å; P332-L335 PolarHBondContact O-N 3.02Å; P332-L335 VanDerWaalsContact O-N 3.12Å; E333-L335 PolarHBondContact O-N 3.36Å; L335-A337 VanDerWaalsContact C-N 3.34Å; L335-A337 PolarHBondContact O-N 3.33Å; L335-T338 PolarHBondContact O-N 2.85Å; L335-V339 HydrophobicContact CD1-CG2 4.15Å; L335-V339 HydrophobicContact CG-CG2 4.33Å; L335-V339 WeakPolarHBondContact O-CG2 3.03Å; L335-V339 PolarHBondContact O-N 3.41Å; L335-I775 HydrophobicContact CD1-CB 4.49Å; L335-I775 HydrophobicContact CD1-CG1 3.93Å; L335-I775 HydrophobicContact CD2-CG1 4.31Å; L335-I775 HydrophobicContact CD2-CG2 4.24Å; L335-T778 HydrophobicContact CB-CG2 4.25Å; L335-T778 HydrophobicContact CD1-CG2 4.38Å
336	L	78.3	Confident	85.9	Confident	46 Å²	46	10.7 Å²	10.7	24%	0.241	6%	0.062	C	C	.	.	H	α-helix	trans	-66.1	-40.1	179.4	-174.9	62.9	0	0	0	111.2	T142 G334 T340	T142-L336 HydrophobicContact CG2-CD2 3.93Å; T142-L336 HydrophobicContact CG2-CG 4.35Å; G334-L336 PolarHBondContact O-N 3.41Å; L336-T340 WeakPolarHBondContact O-CB 3.45Å; L336-T340 PolarHBondContact O-N 3.02Å; L336-T340 VanDerWaalsContact O-N 3.12Å; L336-T340 PolarHBondContact O-OG1 3.35Å
337	A	82.6	Confident	85.9	Confident	16 Å²	16	11.3 Å²	11.3	13%	0.132	7%	0.067	C	C	.	.	H	α-helix	trans	-63	-45.8	172.4	0	0	0	0	0	111	G334 L335 T340 V341 M815	G334-A337 PolarHBondContact O-N 3.43Å; L335-A337 VanDerWaalsContact C-N 3.34Å; L335-A337 PolarHBondContact O-N 3.33Å; A337-T340 WeakPolarHBondContact O-CB 3.3Å; A337-T340 PolarHBondContact O-N 2.87Å; A337-V341 WeakPolarHBondContact O-CG2 3.39Å; A337-V341 PolarHBondContact O-N 3.48Å; A337-M815 HydrophobicContact CB-CE 4.2Å
338	T	88.3	Confident	86.1	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-58	-53.7	177	-68.4	0	0	0	0	112.3	G334 L335 T340 V341 C342 S774 A818 I819	G334-T338 WeakPolarHBondContact O-CB 3.4Å; G334-T338 PolarHBondContact O-N 3.03Å; G334-T338 PolarHBondContact O-OG1 3.04Å; L335-T338 PolarHBondContact O-N 2.85Å; T338-T340 PolarHBondContact O-N 2.82Å; T338-V341 PolarHBondContact O-N 2.92Å; T338-V341 VanDerWaalsContact O-N 3.15Å; T338-C342 WeakPolarHBondContact O-CB 3.43Å; T338-C342 PolarHBondContact O-N 2.97Å; T338-C342 PolarHBondContact O-SG 2.9Å; T338-S774 VanDerWaalsContact CG2-OG 3.3Å; T338-S774 WeakPolarHBondContact CG2-OG 3.35Å; T338-A818 HydrophobicContact CG2-CB 3.83Å; T338-I819 HydrophobicContact CG2-CG1 3.97Å
339	V	88.3	Confident	86.5	Confident	11 Å²	11	19.1 Å²	19.1	7%	0.067	10%	0.099	C	C	.	.	H	α-helix	trans	-54.5	-43.9	176.6	171.8	0	0	0	0	110.9	I287 L335 C342 L343 L771 I775	I287-V339 HydrophobicContact CD1-CG1 4.11Å; L335-V339 HydrophobicContact CD1-CG2 4.15Å; L335-V339 HydrophobicContact CG-CG2 4.33Å; L335-V339 WeakPolarHBondContact O-CG2 3.03Å; L335-V339 PolarHBondContact O-N 3.41Å; V339-C342 PolarHBondContact O-N 3.47Å; V339-L343 HydrophobicContact CG1-CD1 4.31Å; V339-L343 WeakPolarHBondContact O-CG 3.32Å; V339-L343 PolarHBondContact O-N 3.02Å; V339-L771 HydrophobicContact CB-CD2 4.32Å; V339-L771 HydrophobicContact CG1-CD2 4.09Å; V339-L771 HydrophobicContact CG2-CD2 4.16Å; V339-I775 HydrophobicContact CG2-CG1 4.43Å
340	T	84.6	Confident	86.6	Confident	21 Å²	21	19.2 Å²	19.2	13%	0.129	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-45.4	179.3	-56.9	0	0	0	0	111.5	F145 Q149 L336 A337 T338 L343 T344	F145-T340 HydrophobicContact CD1-CG2 4.06Å; F145-T340 HydrophobicContact CE1-CG2 3.78Å; Q149-T340 VanDerWaalsContact NE2-CG2 3.25Å; Q149-T340 PolarHBondContact NE2-O 2.98Å; L336-T340 WeakPolarHBondContact O-CB 3.45Å; L336-T340 PolarHBondContact O-N 3.02Å; L336-T340 VanDerWaalsContact O-N 3.12Å; L336-T340 PolarHBondContact O-OG1 3.35Å; A337-T340 WeakPolarHBondContact O-CB 3.3Å; A337-T340 PolarHBondContact O-N 2.87Å; T338-T340 PolarHBondContact O-N 2.82Å; T340-L343 PolarHBondContact O-N 2.92Å; T340-T344 PolarHBondContact O-N 2.84Å; T340-T344 VanDerWaalsContact O-N 3.08Å; T340-T344 PolarHBondContact O-OG1 3.19Å
341	V	88	Confident	86.7	Confident	31 Å²	31	21.2 Å²	21.2	19%	0.188	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-44.9	174.8	172.6	0	0	0	0	111.4	F145 A337 T338 L343 T344 L345 I819	F145-V341 HydrophobicContact CE1-CG2 3.85Å; F145-V341 HydrophobicContact CZ-CG2 3.63Å; A337-V341 WeakPolarHBondContact O-CG2 3.39Å; A337-V341 PolarHBondContact O-N 3.48Å; T338-V341 PolarHBondContact O-N 2.92Å; T338-V341 VanDerWaalsContact O-N 3.15Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 2.95Å; V341-T344 WeakPolarHBondContact O-CA 3.32Å; V341-T344 VanDerWaalsContact O-CB 3.26Å; V341-T344 WeakPolarHBondContact O-CB 3.43Å; V341-T344 PolarHBondContact O-N 3.4Å; V341-L345 HydrophobicContact CG1-CD1 3.92Å; V341-L345 HydrophobicContact CG1-CG 4.22Å; V341-L345 VanDerWaalsContact O-CG 3.31Å; V341-L345 WeakPolarHBondContact O-CG 3.3Å; V341-L345 PolarHBondContact O-N 3.26Å; V341-I819 HydrophobicContact CB-CD1 4.28Å; V341-I819 HydrophobicContact CB-CG1 4.35Å; V341-I819 HydrophobicContact CG1-CD1 4.04Å; V341-I819 HydrophobicContact CG1-CG1 4.15Å; V341-I819 HydrophobicContact CG1-CG2 3.77Å; V341-I819 HydrophobicContact CG2-CD1 4.43Å
342	C	90.8	Very high	86.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.6	-44.9	178.3	-69.5	0	0	0	0	111.7	T338 V339 L345 T346 I767 L771 A822	T338-C342 WeakPolarHBondContact O-CB 3.43Å; T338-C342 PolarHBondContact O-N 2.97Å; T338-C342 PolarHBondContact O-SG 2.9Å; V339-C342 PolarHBondContact O-N 3.47Å; C342-L345 PolarHBondContact O-N 3.45Å; C342-T346 PolarHBondContact O-N 3.47Å; C342-T346 PolarHBondContact O-OG1 3.06Å; C342-I767 HydrophobicContact CB-CD1 4.24Å; C342-L771 HydrophobicContact CB-CD2 3.81Å; C342-A822 HydrophobicContact CB-CB 3.81Å; C342-A822 VanDerWaalsContact SG-CB 3.58Å
343	L	88.9	Confident	87	Confident	9 Å²	9	35.6 Å²	35.6	5%	0.047	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-40.7	172.7	-68.8	172.3	0	0	0	112.3	V339 T340 V341 L345 T346 A347 V363 I767 L771	V339-L343 HydrophobicContact CG1-CD1 4.31Å; V339-L343 WeakPolarHBondContact O-CG 3.32Å; V339-L343 PolarHBondContact O-N 3.02Å; T340-L343 PolarHBondContact O-N 2.92Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 2.95Å; L343-L345 VanDerWaalsContact C-N 3.31Å; L343-L345 PolarHBondContact O-N 2.97Å; L343-T346 PolarHBondContact O-N 2.77Å; L343-A347 WeakPolarHBondContact O-CB 3.32Å; L343-A347 PolarHBondContact O-N 3.24Å; L343-V363 HydrophobicContact CD2-CB 4.44Å; L343-I767 HydrophobicContact CD2-CG1 4.22Å; L343-L771 HydrophobicContact CD2-CD1 4.28Å
344	T	86.6	Confident	87.2	Confident	23 Å²	23	38.7 Å²	38.7	14%	0.141	19%	0.189	C	C	.	.	H	α-helix	trans	-58.6	-41.1	175.6	-45	0	0	0	0	112.9	Q149 T340 V341 A347 K348	Q149-T344 PolarHBondContact NE2-OG1 2.78Å; Q149-T344 PolarHBondContact OE1-OG1 3.29Å; T340-T344 PolarHBondContact O-N 2.84Å; T340-T344 VanDerWaalsContact O-N 3.08Å; T340-T344 PolarHBondContact O-OG1 3.19Å; V341-T344 WeakPolarHBondContact O-CA 3.32Å; V341-T344 VanDerWaalsContact O-CB 3.26Å; V341-T344 WeakPolarHBondContact O-CB 3.43Å; V341-T344 PolarHBondContact O-N 3.4Å; T344-A347 PolarHBondContact O-N 3.08Å; T344-K348 HydrophobicContact CG2-CD 4.48Å; T344-K348 WeakPolarHBondContact O-CB 3.4Å; T344-K348 WeakPolarHBondContact O-CG 3.43Å; T344-K348 PolarHBondContact O-N 3.32Å
345	L	89.6	Confident	87.6	Confident	33 Å²	33	38.8 Å²	38.8	17%	0.173	19%	0.189	C	C	.	.	H	α-helix	trans	-68.6	-40.5	-177.5	-68	172.8	0	0	0	111	V341 C342 L343 K348 R349 I819 Y823	V341-L345 HydrophobicContact CG1-CD1 3.92Å; V341-L345 HydrophobicContact CG1-CG 4.22Å; V341-L345 VanDerWaalsContact O-CG 3.31Å; V341-L345 WeakPolarHBondContact O-CG 3.3Å; V341-L345 PolarHBondContact O-N 3.26Å; C342-L345 PolarHBondContact O-N 3.45Å; L343-L345 VanDerWaalsContact C-N 3.31Å; L343-L345 PolarHBondContact O-N 2.97Å; L345-K348 PolarHBondContact O-N 3.18Å; L345-R349 WeakPolarHBondContact O-CB 3.27Å; L345-R349 PolarHBondContact O-N 2.69Å; L345-I819 HydrophobicContact CD1-CG2 3.89Å; L345-Y823 HydrophobicContact CD1-CE2 3.62Å; L345-Y823 WeakPolarHBondContact CD2-OH 3.42Å
346	T	90.8	Very high	87.7	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-68.9	-42.6	173.7	-53	0	0	0	0	111.6	C342 L343 K348 R349 M350 V363 E763 I767	C342-T346 PolarHBondContact O-N 3.47Å; C342-T346 PolarHBondContact O-OG1 3.06Å; L343-T346 PolarHBondContact O-N 2.77Å; T346-K348 VanDerWaalsContact C-N 3.35Å; T346-K348 PolarHBondContact O-N 2.78Å; T346-R349 WeakPolarHBondContact O-CA 3.38Å; T346-R349 WeakPolarHBondContact O-CB 3.15Å; T346-R349 PolarHBondContact O-N 3.05Å; T346-M350 PolarHBondContact O-N 3.42Å; T346-V363 HydrophobicContact CG2-CG1 3.45Å; T346-V363 VanDerWaalsContact CG2-CG1 3.45Å; T346-E763 HydrophobicContact CG2-CB 4.04Å; T346-I767 HydrophobicContact CG2-CB 4.22Å; T346-I767 HydrophobicContact CG2-CG2 4.4Å; T346-I767 WeakPolarHBondContact OG1-CD1 3.49Å
347	A	88.3	Confident	88.1	Confident	14 Å²	14	38.7 Å²	38.7	12%	0.116	19%	0.19	C	C	.	.	H	α-helix	trans	-58	-43.9	173.3	0	0	0	0	0	112.2	L343 T344 R349 M350 A351 L360 V363	L343-A347 WeakPolarHBondContact O-CB 3.32Å; L343-A347 PolarHBondContact O-N 3.24Å; T344-A347 PolarHBondContact O-N 3.08Å; A347-R349 VanDerWaalsContact C-N 3.31Å; A347-R349 PolarHBondContact O-N 3.31Å; A347-M350 PolarHBondContact O-N 2.86Å; A347-A351 WeakPolarHBondContact O-CB 3.26Å; A347-A351 PolarHBondContact O-N 2.97Å; A347-L360 HydrophobicContact CB-CD2 4.31Å; A347-V363 HydrophobicContact CB-CG2 3.93Å
348	K	86.9	Confident	87.9	Confident	124 Å²	124	39.5 Å²	39.5	54%	0.539	19%	0.19	S	C	.	.	H	α-helix	trans	-63.4	-33.6	173	-77.6	177	-179.5	172.6	0	112.8	T344 L345 T346 R352	T344-K348 HydrophobicContact CG2-CD 4.48Å; T344-K348 WeakPolarHBondContact O-CB 3.4Å; T344-K348 WeakPolarHBondContact O-CG 3.43Å; T344-K348 PolarHBondContact O-N 3.32Å; L345-K348 PolarHBondContact O-N 3.18Å; T346-K348 VanDerWaalsContact C-N 3.35Å; T346-K348 PolarHBondContact O-N 2.78Å; K348-R352 WeakPolarHBondContact O-CG 3.06Å; K348-R352 PolarHBondContact O-N 3.46Å
349	R	89.1	Confident	87.4	Confident	58 Å²	58	43 Å²	43	22%	0.219	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-40.8	177.7	-166.7	-168.9	-65.7	166.8	1	111.2	L345 T346 A347 E763 A822	L345-R349 WeakPolarHBondContact O-CB 3.27Å; L345-R349 PolarHBondContact O-N 2.69Å; T346-R349 WeakPolarHBondContact O-CA 3.38Å; T346-R349 WeakPolarHBondContact O-CB 3.15Å; T346-R349 PolarHBondContact O-N 3.05Å; A347-R349 VanDerWaalsContact C-N 3.31Å; A347-R349 PolarHBondContact O-N 3.31Å; R349-E763 VanDerWaalsContact CD-CD 3.48Å; R349-E763 WeakPolarHBondContact CD-OE1 3.48Å; R349-E763 WeakPolarHBondContact CD-OE2 3.38Å; R349-E763 IonicContact CZ-OE2 2.77Å; R349-E763 IonicContact NE-OE2 3.67Å; R349-E763 IonicContact NH1-OE2 3.12Å; R349-E763 PolarHBondContact NH1-OE2 3.48Å; R349-A822 PolarHBondContact NH2-O 3.48Å
350	M	89	Confident	87.1	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-70.9	-38.9	174.4	-67.7	-169.1	-59	0	0	112.7	T346 A347 R352 K353 N354 C355 V357 V363 E763	T346-M350 PolarHBondContact O-N 3.42Å; A347-M350 PolarHBondContact O-N 2.86Å; M350-R352 PolarHBondContact O-N 3.03Å; M350-K353 CarbonylContact O-C 3.42Å; M350-K353 VanDerWaalsContact O-C 3.27Å; M350-K353 VanDerWaalsContact O-CA 3.3Å; M350-K353 WeakPolarHBondContact O-CA 3.32Å; M350-K353 WeakPolarHBondContact O-CB 3.14Å; M350-K353 PolarHBondContact O-N 3.44Å; M350-N354 PolarHBondContact O-N 2.7Å; M350-C355 CarbonylContact C-O 3.54Å; M350-C355 HydrophobicContact CB-CB 4.14Å; M350-C355 PolarHBondContact O-N 2.93Å; M350-V357 HydrophobicContact CE-CG2 3.57Å; M350-V363 HydrophobicContact CE-CB 3.93Å; M350-V363 HydrophobicContact CE-CG1 3.6Å; M350-V363 HydrophobicContact CE-CG2 3.64Å; M350-E763 HydrophobicContact CG-CB 4.19Å; M350-E763 HydrophobicContact CG-CG 4.12Å; M350-E763 HydrophobicContact SD-CB 3.99Å; M350-E763 HydrophobicContact SD-CG 4.46Å
351	A	87.9	Confident	87.1	Confident	42 Å²	42	47.1 Å²	47.1	35%	0.347	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-30.4	175.5	0	0	0	0	0	113	A347 K353 N354 C355	A347-A351 WeakPolarHBondContact O-CB 3.26Å; A347-A351 PolarHBondContact O-N 2.97Å; A351-K353 PolarHBondContact O-N 3Å; A351-N354 PolarHBondContact O-N 3.3Å; A351-C355 VanDerWaalsContact CA-O 3.3Å; A351-C355 WeakPolarHBondContact CA-O 3.47Å; A351-C355 PolarHBondContact N-O 3.2Å; A351-C355 VanDerWaalsContact N-O 3.11Å
352	R	89.4	Confident	87.1	Confident	217 Å²	217	45.8 Å²	45.8	82%	0.819	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.8	170.8	-72.9	172.9	178.7	-179.3	-0.5	113.9	K348 M350	K348-R352 WeakPolarHBondContact O-CG 3.06Å; K348-R352 PolarHBondContact O-N 3.46Å; M350-R352 PolarHBondContact O-N 3.03Å
353	K	88.8	Confident	87	Confident	87 Å²	87	45.8 Å²	45.8	38%	0.378	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	33	174.1	-55.2	178.6	-177.7	170.4	0	110.3	M350 A351 C355 T759 E763	M350-K353 CarbonylContact O-C 3.42Å; M350-K353 VanDerWaalsContact O-C 3.27Å; M350-K353 VanDerWaalsContact O-CA 3.3Å; M350-K353 WeakPolarHBondContact O-CA 3.32Å; M350-K353 WeakPolarHBondContact O-CB 3.14Å; M350-K353 PolarHBondContact O-N 3.44Å; A351-K353 PolarHBondContact O-N 3Å; K353-C355 PolarHBondContact O-N 3.27Å; K353-T759 HydrophobicContact CD-CG2 3.5Å; K353-E763 IonicContact NZ-OE1 2.69Å; K353-E763 PolarHBondContact NZ-OE1 2.98Å
354	N	88.1	Confident	87.2	Confident	73 Å²	73	45.4 Å²	45.4	39%	0.39	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	9.1	-179.5	-57.1	-32.6	0	0	0	116.6	M350 A351 L750 D751	M350-N354 PolarHBondContact O-N 2.7Å; A351-N354 PolarHBondContact O-N 3.3Å; N354-L750 HydrophobicContact CB-CB 4.25Å; N354-L750 WeakPolarHBondContact O-CB 3.44Å; N354-L750 WeakPolarHBondContact O-CG 3.38Å; N354-L750 PolarHBondContact O-N 3.31Å; N354-D751 HydrophobicContact CB-CB 3.93Å; N354-D751 VanDerWaalsContact CB-CG 3.45Å; N354-D751 WeakPolarHBondContact CB-OD2 3.15Å; N354-D751 PolarHBondContact ND2-OD2 2.71Å
355	C	89.9	Confident	87.6	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.02	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	96.6	-179.6	-174.1	0	0	0	0	109.7	M350 A351 K353 M747 L749	M350-C355 CarbonylContact C-O 3.54Å; M350-C355 HydrophobicContact CB-CB 4.14Å; M350-C355 PolarHBondContact O-N 2.93Å; A351-C355 VanDerWaalsContact CA-O 3.3Å; A351-C355 WeakPolarHBondContact CA-O 3.47Å; A351-C355 PolarHBondContact N-O 3.2Å; A351-C355 VanDerWaalsContact N-O 3.11Å; K353-C355 PolarHBondContact O-N 3.27Å; C355-M747 PolarHBondContact SG-SD 2.82Å; C355-L749 HydrophobicContact CB-CD2 4.41Å
356	L	88.6	Confident	87.8	Confident	33 Å²	33	42.9 Å²	42.9	17%	0.173	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.1	-176.2	178.7	64.9	0	0	0	110.6	I156 M747 I748 L750	I156-L356 HydrophobicContact CG2-CD2 4.29Å; L356-M747 CarbonylContact O-C 3.5Å; L356-M747 WeakPolarHBondContact O-CA 3.07Å; L356-M747 WeakPolarHBondContact O-CG 3.24Å; L356-I748 HydrophobicContact CB-CB 4.48Å; L356-I748 PolarHBondContact N-O 3.2Å; L356-I748 PolarHBondContact O-N 3.1Å; L356-L750 HydrophobicContact CB-CD1 4.07Å; L356-L750 HydrophobicContact CB-CD2 4.28Å; L356-L750 HydrophobicContact CB-CG 4.06Å; L356-L750 HydrophobicContact CD2-CD2 4.2Å
357	V	85.5	Confident	87.9	Confident	14 Å²	14	43 Å²	43	9%	0.085	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.3	177.4	179.4	0	0	0	0	110.7	S153 M350 N359 A362 V363 M747	S153-V357 PolarHBondContact OG-O 3.43Å; M350-V357 HydrophobicContact CE-CG2 3.57Å; V357-N359 WeakPolarHBondContact CG1-O 3.3Å; V357-A362 HydrophobicContact CG1-CB 4.23Å; V357-V363 HydrophobicContact CB-CG2 4.4Å; V357-V363 HydrophobicContact CG1-CG2 4Å; V357-V363 HydrophobicContact CG2-CG2 4.18Å; V357-M747 HydrophobicContact CG2-CG 4.02Å; V357-M747 HydrophobicContact CG2-SD 4.09Å
358	K	79.2	Confident	88.3	Confident	32 Å²	32	42.5 Å²	42.5	14%	0.139	20%	0.2	C	C	.	.	S	Bend	trans	-84.5	-47.2	174.5	-62.3	162.2	60.9	179.2	0	111	S153 M157 K742 Q743 A745 D746 I748	S153-K358 WeakPolarHBondContact CB-O 3.22Å; S153-K358 WeakPolarHBondContact OG-CA 3.38Å; S153-K358 PolarHBondContact OG-O 3.09Å; M157-K358 HydrophobicContact CE-CD 3.76Å; M157-K358 HydrophobicContact CE-CG 4.25Å; K358-K742 PolarHBondContact NZ-O 2.98Å; K358-Q743 VanDerWaalsContact NZ-C 3.33Å; K358-Q743 PolarHBondContact NZ-O 3.39Å; K358-A745 VanDerWaalsContact CD-O 3.3Å; K358-A745 WeakPolarHBondContact CD-O 3.48Å; K358-A745 VanDerWaalsContact CE-O 3.24Å; K358-A745 WeakPolarHBondContact CE-O 3.37Å; K358-A745 PolarHBondContact NZ-O 2.91Å; K358-D746 WeakPolarHBondContact CA-O 3.45Å; K358-D746 VanDerWaalsContact CB-O 3.29Å; K358-D746 WeakPolarHBondContact CB-O 3.4Å; K358-D746 PolarHBondContact N-O 2.8Å; K358-I748 HydrophobicContact CD-CD1 4.14Å; K358-I748 HydrophobicContact CD-CG1 4.37Å
359	N	77.5	Confident	88.8	Confident	76 Å²	76	36.6 Å²	36.6	41%	0.406	17%	0.174	S	C	.	.	S	Bend	trans	-105.2	115.2	-179.3	-69.6	-26.4	0	0	0	110	V357 E361 A362 D746	V357-N359 WeakPolarHBondContact CG1-O 3.3Å; N359-E361 PolarHBondContact O-N 2.78Å; N359-A362 HydrophobicContact CB-CB 4.35Å; N359-A362 WeakPolarHBondContact O-CB 3.43Å; N359-A362 PolarHBondContact O-N 2.91Å; N359-D746 HydrophobicContact CB-CB 4.47Å; N359-D746 PolarHBondContact ND2-OD1 3.26Å
360	L	80.9	Confident	89.2	Confident	43 Å²	43	35.3 Å²	35.3	23%	0.225	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.4	-173.5	-67.2	145.2	0	0	0	113.7	Q149 A347 A362 V363	Q149-L360 HydrophobicContact CB-CD1 4.04Å; Q149-L360 HydrophobicContact CG-CD1 3.86Å; Q149-L360 HydrophobicContact CG-CD2 4.48Å; A347-L360 HydrophobicContact CB-CD2 4.31Å; L360-A362 VanDerWaalsContact C-N 3.32Å; L360-V363 VanDerWaalsContact O-CB 3.3Å; L360-V363 WeakPolarHBondContact O-CB 3.32Å; L360-V363 WeakPolarHBondContact O-CG2 3.11Å; L360-V363 PolarHBondContact O-N 3.29Å
361	E	85.6	Confident	89.6	Confident	75 Å²	75	35.8 Å²	35.8	35%	0.35	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.6	176.2	-65.4	-177.8	178.3	0	0	113.3	T281 I283 N359 V363 E364 T365	T281-E361 WeakPolarHBondContact CB-OE2 3.46Å; T281-E361 HydrophobicContact CG2-CB 3.82Å; T281-E361 WeakPolarHBondContact CG2-OE2 3.41Å; T281-E361 PolarHBondContact OG1-OE2 3.4Å; I283-E361 HydrophobicContact CG2-CB 3.48Å; I283-E361 VanDerWaalsContact CG2-CB 3.48Å; I283-E361 HydrophobicContact CG2-CG 3.82Å; I283-E361 WeakPolarHBondContact CG2-O 3.3Å; N359-E361 PolarHBondContact O-N 2.78Å; E361-V363 PolarHBondContact O-N 2.86Å; E361-E364 PolarHBondContact O-N 2.86Å; E361-T365 PolarHBondContact O-N 3.18Å; E361-T365 PolarHBondContact O-OG1 3.25Å; E361-T365 VanDerWaalsContact O-OG1 3.05Å
362	A	87.2	Confident	90.1	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-22.4	177.2	0	0	0	0	0	112.2	V357 N359 L360 E364 T365 L366 I729 D746	V357-A362 HydrophobicContact CG1-CB 4.23Å; N359-A362 HydrophobicContact CB-CB 4.35Å; N359-A362 WeakPolarHBondContact O-CB 3.43Å; N359-A362 PolarHBondContact O-N 2.91Å; L360-A362 VanDerWaalsContact C-N 3.32Å; A362-E364 VanDerWaalsContact C-N 3.33Å; A362-E364 PolarHBondContact O-N 3.09Å; A362-T365 PolarHBondContact O-N 2.84Å; A362-L366 PolarHBondContact O-N 3.32Å; A362-I729 HydrophobicContact CB-CD1 3.8Å; A362-I729 HydrophobicContact CB-CG1 4.06Å; A362-I729 WeakPolarHBondContact O-CD1 3.45Å; A362-D746 HydrophobicContact CB-CB 3.86Å
363	V	88.4	Confident	90.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-53.4	-46.5	173.7	175.9	0	0	0	0	112.3	L343 T346 A347 M350 V357 L360 E361 G764 I767	L343-V363 HydrophobicContact CD2-CB 4.44Å; T346-V363 HydrophobicContact CG2-CG1 3.45Å; T346-V363 VanDerWaalsContact CG2-CG1 3.45Å; A347-V363 HydrophobicContact CB-CG2 3.93Å; M350-V363 HydrophobicContact CE-CB 3.93Å; M350-V363 HydrophobicContact CE-CG1 3.6Å; M350-V363 HydrophobicContact CE-CG2 3.64Å; V357-V363 HydrophobicContact CB-CG2 4.4Å; V357-V363 HydrophobicContact CG1-CG2 4Å; V357-V363 HydrophobicContact CG2-CG2 4.18Å; L360-V363 VanDerWaalsContact O-CB 3.3Å; L360-V363 WeakPolarHBondContact O-CB 3.32Å; L360-V363 WeakPolarHBondContact O-CG2 3.11Å; L360-V363 PolarHBondContact O-N 3.29Å; E361-V363 PolarHBondContact O-N 2.86Å; V363-G764 WeakPolarHBondContact O-CA 3.44Å; V363-I767 HydrophobicContact CG1-CG2 4.07Å
364	E	94.7	Very high	90.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-78.3	-33.1	178.1	178.2	-85.2	171.1	0	0	111.5	I283 E361 A362 L366 G367 S368 I767 F768 R836	I283-E364 HydrophobicContact CB-CB 4.05Å; I283-E364 HydrophobicContact CB-CG 4.09Å; I283-E364 WeakPolarHBondContact CB-OE2 3.34Å; I283-E364 HydrophobicContact CD1-CG 4.31Å; I283-E364 HydrophobicContact CG1-CB 4.43Å; I283-E364 HydrophobicContact CG1-CG 4.47Å; I283-E364 HydrophobicContact CG2-CB 4.36Å; I283-E364 PolarHBondContact N-OE2 2.86Å; E361-E364 PolarHBondContact O-N 2.86Å; A362-E364 VanDerWaalsContact C-N 3.33Å; A362-E364 PolarHBondContact O-N 3.09Å; E364-L366 VanDerWaalsContact C-N 3.26Å; E364-L366 PolarHBondContact O-N 3.13Å; E364-G367 WeakPolarHBondContact O-CA 3.26Å; E364-G367 PolarHBondContact O-N 3.17Å; E364-S368 PolarHBondContact O-N 3.32Å; E364-S368 VanDerWaalsContact O-N 3.15Å; E364-S368 PolarHBondContact OE1-OG 3.35Å; E364-I767 HydrophobicContact CB-CG2 4.39Å; E364-F768 HydrophobicContact CG-CB 4.25Å; E364-F768 HydrophobicContact CG-CD2 4.03Å; E364-F768 WeakPolarHBondContact OE1-CD2 3.33Å; E364-R836 IonicContact OE1-CZ 2.7Å; E364-R836 IonicContact OE1-NE 3.59Å; E364-R836 PolarHBondContact OE1-NE 3.08Å; E364-R836 IonicContact OE1-NH2 3.72Å; E364-R836 PolarHBondContact OE1-NH2 2.92Å
365	T	94.3	Very high	91.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.7	-37.3	-172	-56	0	0	0	0	112	P282 E361 A362 G367 S368 T369 I710 D728 I729	P282-T365 WeakPolarHBondContact CD-OG1 3.44Å; P282-T365 HydrophobicContact CG-CG2 3.95Å; E361-T365 PolarHBondContact O-N 3.18Å; E361-T365 PolarHBondContact O-OG1 3.25Å; E361-T365 VanDerWaalsContact O-OG1 3.05Å; A362-T365 PolarHBondContact O-N 2.84Å; T365-G367 VanDerWaalsContact C-N 3.32Å; T365-G367 PolarHBondContact O-N 2.79Å; T365-S368 CarbonylContact O-C 3.58Å; T365-S368 PolarHBondContact O-N 3.36Å; T365-T369 PolarHBondContact O-N 2.95Å; T365-T369 PolarHBondContact O-OG1 2.65Å; T365-I710 HydrophobicContact CG2-CG2 4.11Å; T365-D728 HydrophobicContact CG2-CB 3.96Å; T365-D728 WeakPolarHBondContact CG2-O 3.34Å; T365-I729 HydrophobicContact CG2-CB 3.79Å; T365-I729 HydrophobicContact CG2-CG2 3.85Å
366	L	93	Very high	91.4	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-68	-31.6	176.4	-154.1	68.6	0	0	0	112.5	A362 E364 S368 T369 A712 I729 M747 I757 V761	A362-L366 PolarHBondContact O-N 3.32Å; E364-L366 VanDerWaalsContact C-N 3.26Å; E364-L366 PolarHBondContact O-N 3.13Å; L366-S368 VanDerWaalsContact C-N 3.32Å; L366-T369 WeakPolarHBondContact CA-OG1 3.44Å; L366-T369 WeakPolarHBondContact O-CB 3.42Å; L366-T369 PolarHBondContact O-N 3.41Å; L366-A712 HydrophobicContact CD1-CB 3.9Å; L366-I729 HydrophobicContact CB-CD1 4.04Å; L366-I729 HydrophobicContact CD1-CD1 4.13Å; L366-I729 HydrophobicContact CD1-CG2 3.89Å; L366-M747 HydrophobicContact CD2-CE 3.68Å; L366-M747 HydrophobicContact CD2-SD 4.43Å; L366-I757 HydrophobicContact CD2-CG2 4.25Å; L366-I757 WeakPolarHBondContact CD2-O 3.2Å; L366-V761 HydrophobicContact CD2-CG2 4.38Å; L366-V761 HydrophobicContact CG-CG2 3.96Å; L366-V761 WeakPolarHBondContact O-CG2 3.35Å
367	G	94	Very high	91.4	Very high	4 Å²	4	15 Å²	15	4%	0.041	8%	0.081	C	C	.	.	H	α-helix	trans	-69.1	-30.9	173.1	0	0	0	0	0	114	E364 T365 V761 R765	E364-G367 WeakPolarHBondContact O-CA 3.26Å; E364-G367 PolarHBondContact O-N 3.17Å; T365-G367 VanDerWaalsContact C-N 3.32Å; T365-G367 PolarHBondContact O-N 2.79Å; G367-V761 WeakPolarHBondContact CA-O 3.41Å; G367-R765 VanDerWaalsContact O-CG 3.25Å; G367-R765 WeakPolarHBondContact O-CG 3.18Å; G367-R765 PolarHBondContact O-NE 3.37Å
368	S	96.3	Very high	91.5	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-89.1	-3.6	177.1	-69.7	0	0	0	0	114.2	E364 T365 L366 S370 I710 R836	E364-S368 PolarHBondContact O-N 3.32Å; E364-S368 VanDerWaalsContact O-N 3.15Å; E364-S368 PolarHBondContact OE1-OG 3.35Å; T365-S368 CarbonylContact O-C 3.58Å; T365-S368 PolarHBondContact O-N 3.36Å; L366-S368 VanDerWaalsContact C-N 3.32Å; S368-S370 PolarHBondContact O-N 2.9Å; S368-I710 WeakPolarHBondContact O-CB 3.47Å; S368-R836 PolarHBondContact OG-NE 3.29Å
369	T	97.5	Very high	92.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.			trans	-63.9	130.8	179.3	-68.3	0	0	0	0	111.3	T365 L366 T371 I372 I610 A712 P835	T365-T369 PolarHBondContact O-N 2.95Å; T365-T369 PolarHBondContact O-OG1 2.65Å; L366-T369 WeakPolarHBondContact CA-OG1 3.44Å; L366-T369 WeakPolarHBondContact O-CB 3.42Å; L366-T369 PolarHBondContact O-N 3.41Å; T369-T371 VanDerWaalsContact CG2-O 3.29Å; T369-T371 WeakPolarHBondContact CG2-O 3.42Å; T369-I372 HydrophobicContact CG2-CG1 4.03Å; T369-I610 HydrophobicContact CG2-CG2 4.42Å; T369-A712 HydrophobicContact CG2-CB 3.63Å; T369-P835 WeakPolarHBondContact O-CB 3.49Å
370	S	97.4	Very high	92.9	Very high	31 Å²	31	9.2 Å²	9.2	22%	0.217	5%	0.051	C	C	.	.			trans	-110.1	-19.3	175.6	63.9	0	0	0	0	113.3	S368 K611 A709 I710	S368-S370 PolarHBondContact O-N 2.9Å; S370-K611 PolarHBondContact O-N 2.82Å; S370-A709 WeakPolarHBondContact OG-CA 3.41Å; S370-A709 WeakPolarHBondContact OG-CB 3.31Å; S370-I710 PolarHBondContact N-O 3.12Å; S370-I710 PolarHBondContact OG-N 3.33Å; S370-I710 VanDerWaalsContact OG-N 3.16Å; S370-I710 PolarHBondContact OG-O 3.33Å
371	T	98.1	Very high	93.4	Very high	12 Å²	12	7.1 Å²	7.1	7%	0.074	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.7	176.9	-55.3	0	0	0	0	110.8	T369 K611 I613 I710 V711 A712	T369-T371 VanDerWaalsContact CG2-O 3.29Å; T369-T371 WeakPolarHBondContact CG2-O 3.42Å; T371-K611 CarbonylContact C-O 3.57Å; T371-K611 VanDerWaalsContact CA-O 3.26Å; T371-K611 WeakPolarHBondContact CA-O 3.48Å; T371-K611 HydrophobicContact CG2-CB 4.43Å; T371-I613 HydrophobicContact CG2-CD1 3.84Å; T371-I613 HydrophobicContact CG2-CG1 4.24Å; T371-I710 PolarHBondContact N-O 2.85Å; T371-I710 VanDerWaalsContact N-O 3.16Å; T371-V711 WeakPolarHBondContact O-CA 3.39Å; T371-A712 PolarHBondContact O-N 2.88Å
372	I	98.3	Very high	93.6	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.01	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123	169.4	-66.5	164.5	0	0	0	108.3	T369 C605 I610 K611 V612 I613 A712 I757	T369-I372 HydrophobicContact CG2-CG1 4.03Å; I372-C605 HydrophobicContact CD1-CB 4.22Å; I372-I610 HydrophobicContact CB-CG2 4.43Å; I372-I610 HydrophobicContact CD1-CG2 3.79Å; I372-I610 HydrophobicContact CG1-CG2 3.77Å; I372-K611 PolarHBondContact N-O 3.27Å; I372-V612 WeakPolarHBondContact O-CA 3.31Å; I372-I613 PolarHBondContact O-N 3.31Å; I372-A712 WeakPolarHBondContact CA-O 3.44Å; I372-A712 HydrophobicContact CG1-CB 4.23Å; I372-I757 HydrophobicContact CD1-CG2 4.08Å
373	C	98.1	Very high	93.6	Very high	4 Å²	4	6.8 Å²	6.8	3%	0.027	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.8	167.6	-68.6	0	0	0	0	108.6	I613 V615 V701 A712 V713 T714	C373-I613 WeakPolarHBondContact CA-O 3.4Å; C373-V615 HydrophobicContact CB-CG2 4.12Å; C373-V701 HydrophobicContact CB-CG2 4.44Å; C373-A712 PolarHBondContact N-O 3.36Å; C373-V713 HydrophobicContact CB-CG2 4.16Å; C373-V713 VanDerWaalsContact O-CA 3.28Å; C373-V713 WeakPolarHBondContact O-CA 3.35Å; C373-T714 PolarHBondContact O-N 3.25Å
374	S	97.3	Very high	93.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.9	-177.8	-168.6	0	0	0	0	112.1	T379 L380 I613 M614 V615 T714	S374-T379 WeakPolarHBondContact OG-CG2 3.48Å; S374-L380 WeakPolarHBondContact OG-CG 3.15Å; S374-I613 PolarHBondContact N-O 3.45Å; S374-M614 WeakPolarHBondContact O-CA 3.36Å; S374-V615 PolarHBondContact O-N 2.94Å; S374-T714 WeakPolarHBondContact CA-O 3.39Å; S374-T714 VanDerWaalsContact CA-OG1 3.27Å; S374-T714 WeakPolarHBondContact CA-OG1 3.26Å; S374-T714 WeakPolarHBondContact CB-OG1 3.3Å; S374-T714 PolarHBondContact OG-OG1 3.44Å
375	D	95.4	Very high	93.3	Very high	2 Å²	2	11 Å²	11	1%	0.011	6%	0.059	C	C	.	.			trans	-66.2	160.6	157.2	-168.2	64.5	0	0	0	110.8	T377 L380 T616 K697 T714	D375-T377 PolarHBondContact OD2-N 3.48Å; D375-L380 WeakPolarHBondContact O-CD1 3.31Å; D375-L380 WeakPolarHBondContact O-CG 3.24Å; D375-T616 WeakPolarHBondContact OD1-CA 3.19Å; D375-T616 PolarHBondContact OD1-OG1 3.05Å; D375-K697 IonicContact OD1-NZ 2.73Å; D375-K697 PolarHBondContact OD1-NZ 3.49Å; D375-T714 PolarHBondContact N-O 3.49Å
376	K	93.1	Very high	93.3	Very high	7 Å²	7	11.6 Å²	11.6	3%	0.03	6%	0.062	C	C	.	.	S	Bend	trans	-90.5	-53.5	179.1	-173.5	-121.6	61.7	170.4	0	111.8	L380 T381 D592 M614 T616 D618 I626	K376-L380 PolarHBondContact O-N 3.37Å; K376-T381 HydrophobicContact CD-CG2 4.28Å; K376-T381 HydrophobicContact CG-CG2 4.2Å; K376-T381 PolarHBondContact O-N 3.39Å; K376-T381 PolarHBondContact O-OG1 3.15Å; K376-D592 IonicContact NZ-OD2 2.7Å; K376-M614 HydrophobicContact CB-CE 4.3Å; K376-M614 HydrophobicContact CB-CG 4.3Å; K376-M614 HydrophobicContact CB-SD 3.94Å; K376-M614 HydrophobicContact CG-CE 4Å; K376-M614 HydrophobicContact CG-SD 4Å; K376-T616 HydrophobicContact CB-CG2 4.14Å; K376-D618 HydrophobicContact CD-CB 4.35Å; K376-D618 VanDerWaalsContact CD-OD2 3.27Å; K376-D618 WeakPolarHBondContact CD-OD2 3.46Å; K376-D618 WeakPolarHBondContact CE-OD2 3.47Å; K376-D618 IonicContact NZ-OD2 3.14Å; K376-D618 PolarHBondContact NZ-OD2 2.98Å; K376-I626 HydrophobicContact CD-CB 4.43Å; K376-I626 HydrophobicContact CD-CG1 4.26Å; K376-I626 HydrophobicContact CD-CG2 4.4Å; K376-I626 HydrophobicContact CG-CB 4.27Å; K376-I626 HydrophobicContact CG-CG2 3.83Å
377	T	87.9	Confident	93.4	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.025	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	132.8	-171.6	-57.7	0	0	0	0	110	G219 D375 T379 T381 N383	G219-T377 WeakPolarHBondContact O-CB 3.4Å; G219-T377 VanDerWaalsContact O-CG2 3.32Å; G219-T377 WeakPolarHBondContact O-CG2 3.47Å; G219-T377 PolarHBondContact O-OG1 3.49Å; D375-T377 PolarHBondContact OD2-N 3.48Å; T377-T379 PolarHBondContact O-N 3.17Å; T377-T381 VanDerWaalsContact CA-OG1 3.31Å; T377-T381 WeakPolarHBondContact CA-OG1 3.48Å; T377-N383 HydrophobicContact CG2-CB 4.07Å; T377-N383 WeakPolarHBondContact CG2-OD1 3.36Å
378	G	86.7	Confident	93.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	-25	177	0	0	0	0	0	116	T381 R595	G378-T381 CarbonylContact C-O 3.46Å; G378-T381 VanDerWaalsContact C-O 3.22Å; G378-T381 VanDerWaalsContact CA-O 3.23Å; G378-T381 WeakPolarHBondContact CA-O 3.48Å; G378-T381 PolarHBondContact N-O 3.13Å; G378-T381 PolarHBondContact N-OG1 3.18Å; G378-R595 PolarHBondContact O-NE 3.23Å; G378-R595 PolarHBondContact O-NH2 3.21Å
379	T	91.9	Very high	93.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-66.1	175.6	-58.6	0	0	0	0	110.8	S374 T377 G715 D716 M733 F754	S374-T379 WeakPolarHBondContact OG-CG2 3.48Å; T377-T379 PolarHBondContact O-N 3.17Å; T379-G715 VanDerWaalsContact OG1-CA 3.26Å; T379-G715 WeakPolarHBondContact OG1-CA 3.41Å; T379-D716 PolarHBondContact OG1-N 3.25Å; T379-M733 HydrophobicContact CG2-SD 4.47Å; T379-F754 HydrophobicContact CG2-CD2 4.3Å; T379-F754 HydrophobicContact CG2-CE2 4.06Å
380	L	94.3	Very high	93.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-36.7	175.7	-65.8	170.4	0	0	0	111.7	S374 D375 K376 P594 R595 V598 V602 M614 V630 I632 F754	S374-L380 WeakPolarHBondContact OG-CG 3.15Å; D375-L380 WeakPolarHBondContact O-CD1 3.31Å; D375-L380 WeakPolarHBondContact O-CG 3.24Å; K376-L380 PolarHBondContact O-N 3.37Å; L380-P594 WeakPolarHBondContact O-CA 3.43Å; L380-R595 PolarHBondContact O-N 3Å; L380-V598 HydrophobicContact CB-CG1 4.21Å; L380-V598 HydrophobicContact CD2-CG1 3.54Å; L380-V598 HydrophobicContact CG-CG1 4.48Å; L380-V602 HydrophobicContact CD2-CG2 4.33Å; L380-M614 HydrophobicContact CD1-CE 3.93Å; L380-V630 HydrophobicContact CD1-CG2 4.47Å; L380-I632 HydrophobicContact CD1-CD1 3.9Å; L380-F754 HydrophobicContact CD2-CD2 4.19Å; L380-F754 HydrophobicContact CD2-CE1 4.27Å; L380-F754 HydrophobicContact CD2-CE2 3.66Å; L380-F754 HydrophobicContact CD2-CZ 3.71Å
381	T	92.7	Very high	93.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-98.3	169	177.4	65.7	0	0	0	0	112.2	K376 T377 G378 N383 D592 P593 R595 I626	K376-T381 HydrophobicContact CD-CG2 4.28Å; K376-T381 HydrophobicContact CG-CG2 4.2Å; K376-T381 PolarHBondContact O-N 3.39Å; K376-T381 PolarHBondContact O-OG1 3.15Å; T377-T381 VanDerWaalsContact CA-OG1 3.31Å; T377-T381 WeakPolarHBondContact CA-OG1 3.48Å; G378-T381 CarbonylContact C-O 3.46Å; G378-T381 VanDerWaalsContact C-O 3.22Å; G378-T381 VanDerWaalsContact CA-O 3.23Å; G378-T381 WeakPolarHBondContact CA-O 3.48Å; G378-T381 PolarHBondContact N-O 3.13Å; G378-T381 PolarHBondContact N-OG1 3.18Å; T381-N383 PolarHBondContact O-N 3.3Å; T381-D592 VanDerWaalsContact CB-OD2 3.26Å; T381-D592 WeakPolarHBondContact CB-OD2 3.08Å; T381-D592 WeakPolarHBondContact CG2-O 3.48Å; T381-D592 VanDerWaalsContact OG1-CG 3.28Å; T381-D592 PolarHBondContact OG1-OD2 3.26Å; T381-P593 CarbonylContact C-O 3.56Å; T381-P593 WeakPolarHBondContact CA-O 3.39Å; T381-P593 VanDerWaalsContact CB-O 3.25Å; T381-P593 WeakPolarHBondContact CB-O 3.31Å; T381-R595 PolarHBondContact O-NE 3.45Å; T381-R595 VanDerWaalsContact O-NE 3.17Å; T381-I626 HydrophobicContact CG2-CD1 4.21Å; T381-I626 HydrophobicContact CG2-CG1 4.43Å; T381-I626 HydrophobicContact CG2-CG2 3.92Å
382	Q	90	Very high	93	Very high	16 Å²	16	11.3 Å²	11.3	8%	0.075	6%	0.055	C	C	.	.			trans	-79.2	-4.1	-176.5	-64.4	176.4	41.7	0	0	113.8	R384 T401 D592 P593 P594 R595	Q382-R384 HydrophobicContact CB-CB 4.48Å; Q382-R384 PolarHBondContact O-N 3.06Å; Q382-R384 VanDerWaalsContact OE1-CZ 3.28Å; Q382-T401 PolarHBondContact NE2-O 3.32Å; Q382-D592 PolarHBondContact N-OD1 2.82Å; Q382-P593 HydrophobicContact CG-CG 4.49Å; Q382-P593 PolarHBondContact N-O 2.87Å; Q382-P594 PolarHBondContact NE2-O 3.4Å; Q382-R595 HydrophobicContact CG-CB 4.47Å; Q382-R595 HydrophobicContact CG-CG 3.86Å
383	N	86.3	Confident	92.8	Very high	54 Å²	54	12.5 Å²	12.5	29%	0.289	6%	0.061	S	C	.	.	S	Bend	trans	50.9	42.4	-168.4	-161.6	-1.5	0	0	0	112.5	S221 T377 T381 D592	S221-N383 VanDerWaalsContact CB-OD1 3.23Å; S221-N383 WeakPolarHBondContact CB-OD1 3.5Å; S221-N383 PolarHBondContact OG-ND2 2.81Å; S221-N383 PolarHBondContact OG-OD1 2.97Å; T377-N383 HydrophobicContact CG2-CB 4.07Å; T377-N383 WeakPolarHBondContact CG2-OD1 3.36Å; T381-N383 PolarHBondContact O-N 3.3Å; N383-D592 VanDerWaalsContact CA-OD1 3.26Å; N383-D592 WeakPolarHBondContact CA-OD1 3.32Å; N383-D592 PolarHBondContact N-OD1 3.5Å
384	R	87.3	Confident	92.5	Very high	42 Å²	42	16 Å²	16	16%	0.158	8%	0.08	C	C	.	.	S	Bend	trans	-152	110	-176.7	-169.7	-169.2	70.3	-117.7	-9.6	111.6	Q382 T386 L442 D592 P593	Q382-R384 HydrophobicContact CB-CB 4.48Å; Q382-R384 PolarHBondContact O-N 3.06Å; Q382-R384 VanDerWaalsContact OE1-CZ 3.28Å; R384-T386 PolarHBondContact NE-OG1 3.28Å; R384-T386 PolarHBondContact NH2-OG1 3.39Å; R384-T386 PolarHBondContact O-N 3.27Å; R384-T386 VanDerWaalsContact O-N 3.16Å; R384-T386 PolarHBondContact O-OG1 3.4Å; R384-L442 WeakPolarHBondContact CD-O 3.47Å; R384-D592 PolarHBondContact N-OD1 3.45Å; R384-P593 VanDerWaalsContact O-CD 3.26Å; R384-P593 WeakPolarHBondContact O-CD 3.33Å
385	M	89.8	Confident	92.3	Very high	48 Å²	48	21.8 Å²	21.8	24%	0.236	11%	0.107	C	C	.	.			trans	-49.4	122.4	169.5	-164.6	59.7	59.6	0	0	110.5	A450 A454 M590 I591	M385-A450 HydrophobicContact CB-CB 4.04Å; M385-A454 HydrophobicContact CB-CB 4.3Å; M385-A454 HydrophobicContact CG-CB 4Å; M385-A454 VanDerWaalsContact O-CB 3.27Å; M385-A454 WeakPolarHBondContact O-CB 3.46Å; M385-M590 HydrophobicContact CG-CB 4.09Å; M385-M590 HydrophobicContact CG-CG 3.93Å; M385-M590 HydrophobicContact CG-SD 3.82Å; M385-M590 HydrophobicContact SD-CB 3.8Å; M385-M590 HydrophobicContact SD-CG 3.63Å; M385-M590 HydrophobicContact SD-SD 4.27Å; M385-I591 WeakPolarHBondContact CA-O 3.46Å; M385-I591 VanDerWaalsContact SD-C 3.56Å
386	T	93.1	Very high	92.3	Very high	11 Å²	11	24.6 Å²	24.6	7%	0.067	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.3	-174.5	-57	0	0	0	0	107.9	R384 A388 M590 I591	R384-T386 PolarHBondContact NE-OG1 3.28Å; R384-T386 PolarHBondContact NH2-OG1 3.39Å; R384-T386 PolarHBondContact O-N 3.27Å; R384-T386 VanDerWaalsContact O-N 3.16Å; R384-T386 PolarHBondContact O-OG1 3.4Å; T386-A388 PolarHBondContact O-N 2.88Å; T386-M590 VanDerWaalsContact O-CA 3.22Å; T386-M590 WeakPolarHBondContact O-CA 3.43Å; T386-M590 VanDerWaalsContact O-CB 3.3Å; T386-M590 WeakPolarHBondContact O-CB 3.48Å; T386-I591 PolarHBondContact N-O 3.18Å; T386-I591 PolarHBondContact O-N 3.01Å
387	V	95.1	Very high	92.3	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130	176.8	176.4	0	0	0	0	108.7	M390 A399 A454 L455 C458 M588 S589	V387-M390 HydrophobicContact CG1-CG 4.09Å; V387-M390 HydrophobicContact CG1-SD 4.37Å; V387-A399 HydrophobicContact CG1-CB 4.44Å; V387-A454 HydrophobicContact CG2-CB 4.43Å; V387-L455 HydrophobicContact CG2-CD2 4.07Å; V387-C458 HydrophobicContact CB-CB 4Å; V387-C458 HydrophobicContact CG2-CB 3.66Å; V387-M588 HydrophobicContact CG1-CB 4.48Å; V387-M588 HydrophobicContact CG1-SD 4.45Å; V387-S589 WeakPolarHBondContact CA-O 3.19Å
388	A	93.4	Very high	92.5	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-53.7	-173.5	0	0	0	0	0	111.6	T386 A399 T401 E549 S589 I591	T386-A388 PolarHBondContact O-N 2.88Å; A388-A399 WeakPolarHBondContact O-CB 3.39Å; A388-A399 PolarHBondContact O-N 3.43Å; A388-T401 HydrophobicContact CB-CG2 4.07Å; A388-E549 WeakPolarHBondContact CB-OE1 3.48Å; A388-S589 PolarHBondContact N-O 2.84Å; A388-I591 HydrophobicContact CB-CG2 3.98Å
389	H	95.4	Very high	92.8	Very high	30 Å²	30	31.5 Å²	31.5	14%	0.139	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	160.4	174.2	-55	88.5	0	0	0	112.2	I396 H397 L544 E549 S589	H389-I396 HydrophobicContact CB-CG2 3.96Å; H389-H397 CarbonylContact C-O 3.47Å; H389-H397 VanDerWaalsContact CA-O 3.27Å; H389-H397 WeakPolarHBondContact CA-O 3.34Å; H389-L544 HydrophobicContact CB-CD2 3.54Å; H389-E549 IonicContact CE1-OE1 3.68Å; H389-E549 PolarHBondContact CE1-OE1 2.85Å; H389-E549 IonicContact CE1-OE2 2.73Å; H389-E549 IonicContact CG-OE2 2.69Å; H389-E549 VanDerWaalsContact ND1-CD 3.25Å; H389-E549 IonicContact ND1-OE1 3.17Å; H389-E549 PolarHBondContact ND1-OE1 2.6Å; H389-E549 IonicContact ND1-OE2 3.87Å; H389-E549 PolarHBondContact ND1-OE2 3.06Å; H389-S589 WeakPolarHBondContact CA-OG 3.39Å; H389-S589 WeakPolarHBondContact CB-OG 3.25Å; H389-S589 PolarHBondContact N-OG 3.36Å; H389-S589 VanDerWaalsContact N-OG 3.1Å; H389-S589 PolarHBondContact O-N 2.99Å; H389-S589 PolarHBondContact O-OG 2.99Å
390	M	95.6	Very high	92.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.8	175.6	-60.5	149.9	-63.7	0	0	108.2	V387 F392 H397 A399 F410 W417 L587 M588	V387-M390 HydrophobicContact CG1-CG 4.09Å; V387-M390 HydrophobicContact CG1-SD 4.37Å; M390-F392 HydrophobicContact CB-CD1 4.1Å; M390-F392 HydrophobicContact CB-CE1 4.16Å; M390-H397 HydrophobicContact CE-CB 4.16Å; M390-H397 PolarHBondContact N-O 3.16Å; M390-H397 PolarHBondContact O-N 3.37Å; M390-A399 HydrophobicContact CE-CB 3.81Å; M390-F410 HydrophobicContact CE-CD1 3.64Å; M390-F410 HydrophobicContact CE-CD2 3.89Å; M390-F410 HydrophobicContact CE-CE1 3.67Å; M390-F410 HydrophobicContact CE-CE2 3.91Å; M390-F410 HydrophobicContact CE-CG 3.78Å; M390-F410 HydrophobicContact CE-CZ 3.8Å; M390-F410 HydrophobicContact SD-CE1 4.27Å; M390-F410 HydrophobicContact SD-CE2 4.12Å; M390-F410 HydrophobicContact SD-CZ 3.92Å; M390-W417 HydrophobicContact CG-CZ3 4.39Å; M390-W417 HydrophobicContact SD-CE3 4.27Å; M390-W417 HydrophobicContact SD-CH2 3.78Å; M390-W417 HydrophobicContact SD-CZ3 3.38Å; M390-W417 WeakPolarHBondContact SD-CZ3 3.42Å; M390-L587 CarbonylContact C-O 3.56Å; M390-L587 VanDerWaalsContact CA-O 3.32Å; M390-L587 WeakPolarHBondContact CA-O 3.49Å; M390-M588 HydrophobicContact CG-CB 4.43Å; M390-M588 HydrophobicContact CG-CG 4.02Å; M390-M588 HydrophobicContact CG-SD 4.44Å
391	W	96.3	Very high	92.6	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.1	173.6	-177.8	81.4	0	0	0	109.7	N394 Q395 I520 M533 A536 F537 A540 F584 G586 L587	W391-N394 WeakPolarHBondContact CZ2-OD1 3.05Å; W391-Q395 WeakPolarHBondContact CA-O 3.47Å; W391-I520 HydrophobicContact CH2-CD1 4.03Å; W391-I520 HydrophobicContact CZ3-CD1 4.03Å; W391-M533 HydrophobicContact CH2-CE 4.15Å; W391-M533 HydrophobicContact CZ2-CE 4.44Å; W391-A536 HydrophobicContact CZ2-CB 4.43Å; W391-F537 HydrophobicContact CE3-CD2 4.43Å; W391-F537 HydrophobicContact CH2-CB 3.91Å; W391-F537 HydrophobicContact CH2-CD2 4.42Å; W391-F537 HydrophobicContact CZ2-CB 4.49Å; W391-F537 HydrophobicContact CZ3-CB 4.24Å; W391-F537 AromaticContact CZ3-CD2 3.9Å; W391-F537 HydrophobicContact CZ3-CD2 3.9Å; W391-A540 HydrophobicContact CD2-CB 4.25Å; W391-A540 HydrophobicContact CG-CB 3.89Å; W391-F584 HydrophobicContact CE3-CE1 4.07Å; W391-F584 HydrophobicContact CZ3-CD1 4.33Å; W391-F584 AromaticContact CZ3-CE1 3.72Å; W391-F584 HydrophobicContact CZ3-CE1 3.72Å; W391-G586 CarbonylContact O-C 3.56Å; W391-G586 WeakPolarHBondContact O-CA 3.38Å; W391-L587 HydrophobicContact CB-CB 3.97Å; W391-L587 HydrophobicContact CB-CD1 4.11Å; W391-L587 HydrophobicContact CB-CG 4.33Å; W391-L587 HydrophobicContact CD2-CD1 4.48Å; W391-L587 HydrophobicContact CE3-CD1 4.24Å; W391-L587 HydrophobicContact CE3-CG 4.23Å; W391-L587 HydrophobicContact CG-CD1 4.48Å; W391-L587 PolarHBondContact N-O 3.32Å; W391-L587 PolarHBondContact O-N 2.86Å
392	F	94.8	Very high	92.4	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	162.7	173.9	64.4	-96.3	0	0	0	110.3	M390 N394 Q395 H397 T416 W417 L420	M390-F392 HydrophobicContact CB-CD1 4.1Å; M390-F392 HydrophobicContact CB-CE1 4.16Å; F392-N394 PolarHBondContact O-N 2.82Å; F392-Q395 PolarHBondContact N-O 2.97Å; F392-Q395 VanDerWaalsContact N-O 3.13Å; F392-Q395 PolarHBondContact O-N 3.25Å; F392-Q395 VanDerWaalsContact O-O 3.1Å; F392-H397 AromaticContact CD1-CD2 3.65Å; F392-H397 AromaticContact CD2-NE2 3.85Å; F392-H397 HydrophobicContact CE1-CB 4.2Å; F392-H397 AromaticContact CE1-CD2 3.3Å; F392-H397 WeakPolarHBondContact CE1-CD2 3.37Å; F392-H397 AromaticContact CE1-CG 3.84Å; F392-H397 AromaticContact CE1-NE2 3.97Å; F392-H397 AromaticContact CE2-CD2 3.72Å; F392-H397 AromaticContact CE2-NE2 3.46Å; F392-H397 WeakPolarHBondContact CE2-NE2 3.33Å; F392-H397 AromaticContact CZ-CD2 3.33Å; F392-H397 WeakPolarHBondContact CZ-CD2 3.38Å; F392-H397 AromaticContact CZ-CG 3.83Å; F392-H397 AromaticContact CZ-NE2 3.53Å; F392-T416 HydrophobicContact CB-CG2 3.71Å; F392-T416 HydrophobicContact CD2-CG2 4.03Å; F392-T416 HydrophobicContact CG-CG2 4.21Å; F392-W417 HydrophobicContact CD1-CE3 4.46Å; F392-W417 HydrophobicContact CE1-CB 4.47Å; F392-W417 AromaticContact CE1-CE3 3.88Å; F392-W417 HydrophobicContact CE1-CE3 3.88Å; F392-W417 HydrophobicContact CE2-CB 4.04Å; F392-W417 HydrophobicContact CZ-CB 3.91Å; F392-W417 HydrophobicContact CZ-CE3 4.35Å; F392-L420 HydrophobicContact CB-CD2 4.28Å; F392-L420 HydrophobicContact CD1-CD2 3.79Å; F392-L420 HydrophobicContact CG-CD2 4.36Å
393	D	94	Very high	92.2	Very high	27 Å²	27	37 Å²	37	14%	0.144	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	29.4	-174.7	-64	-25.1	0	0	0	114.1	Q395 S414 T416 I522 Q523	D393-Q395 VanDerWaalsContact C-N 3.3Å; D393-Q395 PolarHBondContact O-N 3Å; D393-S414 WeakPolarHBondContact OD2-CB 3.4Å; D393-S414 PolarHBondContact OD2-OG 2.86Å; D393-T416 WeakPolarHBondContact OD1-CB 3.33Å; D393-T416 WeakPolarHBondContact OD1-CG2 3.48Å; D393-T416 PolarHBondContact OD1-OG1 3.14Å; D393-I522 WeakPolarHBondContact OD1-CA 3.41Å; D393-Q523 PolarHBondContact OD1-N 2.8Å
394	N	91.9	Very high	92.1	Very high	78 Å²	78	39.5 Å²	39.5	42%	0.417	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	31.5	-172.6	-158.8	20	0	0	0	115.2	W391 F392 M533 A536	W391-N394 WeakPolarHBondContact CZ2-OD1 3.05Å; F392-N394 PolarHBondContact O-N 2.82Å; N394-M533 HydrophobicContact CB-CE 4.22Å; N394-M533 HydrophobicContact CB-SD 4.5Å; N394-A536 WeakPolarHBondContact OD1-CB 3.25Å
395	Q	93.3	Very high	92	Very high	122 Å²	122	41 Å²	41	57%	0.57	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133	149.5	175.9	-64.3	-174.4	9.6	0	0	111.2	W391 F392 D393	W391-Q395 WeakPolarHBondContact CA-O 3.47Å; F392-Q395 PolarHBondContact N-O 2.97Å; F392-Q395 VanDerWaalsContact N-O 3.13Å; F392-Q395 PolarHBondContact O-N 3.25Å; F392-Q395 VanDerWaalsContact O-O 3.1Å; D393-Q395 VanDerWaalsContact C-N 3.3Å; D393-Q395 PolarHBondContact O-N 3Å
396	I	94.4	Very high	91.7	Very high	61 Å²	61	42.3 Å²	42.3	31%	0.313	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.3	169.8	-60.6	178.7	0	0	0	108.1	H389 A540 E543 L544	H389-I396 HydrophobicContact CB-CG2 3.96Å; I396-A540 HydrophobicContact CD1-CB 4.45Å; I396-E543 HydrophobicContact CD1-CG 4.35Å; I396-E543 WeakPolarHBondContact CD1-OE2 3.45Å; I396-L544 HydrophobicContact CD1-CD2 4.43Å; I396-L544 HydrophobicContact CG2-CD2 4.25Å
397	H	94	Very high	91	Very high	28 Å²	28	43.7 Å²	43.7	13%	0.13	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.7	177.8	-62	-79.4	0	0	0	109.9	H389 M390 F392 F410	H389-H397 CarbonylContact C-O 3.47Å; H389-H397 VanDerWaalsContact CA-O 3.27Å; H389-H397 WeakPolarHBondContact CA-O 3.34Å; M390-H397 HydrophobicContact CE-CB 4.16Å; M390-H397 PolarHBondContact N-O 3.16Å; M390-H397 PolarHBondContact O-N 3.37Å; F392-H397 AromaticContact CD1-CD2 3.65Å; F392-H397 AromaticContact CD2-NE2 3.85Å; F392-H397 HydrophobicContact CE1-CB 4.2Å; F392-H397 AromaticContact CE1-CD2 3.3Å; F392-H397 WeakPolarHBondContact CE1-CD2 3.37Å; F392-H397 AromaticContact CE1-CG 3.84Å; F392-H397 AromaticContact CE1-NE2 3.97Å; F392-H397 AromaticContact CE2-CD2 3.72Å; F392-H397 AromaticContact CE2-NE2 3.46Å; F392-H397 WeakPolarHBondContact CE2-NE2 3.33Å; F392-H397 AromaticContact CZ-CD2 3.33Å; F392-H397 WeakPolarHBondContact CZ-CD2 3.38Å; F392-H397 AromaticContact CZ-CG 3.83Å; F392-H397 AromaticContact CZ-NE2 3.53Å; H397-F410 HydrophobicContact CB-CB 4.13Å
398	E	92.6	Very high	90.1	Very high	121 Å²	121	47.9 Å²	47.9	57%	0.565	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	134.6	176.1	-170.1	179.2	-180	0	0	111.1	F410	E398-F410 WeakPolarHBondContact O-CB 3.25Å
399	A	91.9	Very high	89.3	Confident	7 Å²	7	51.4 Å²	51.4	6%	0.058	29%	0.291	C	S	.	.			trans	-99.1	150.9	174.9	0	0	0	0	0	110.9	V387 A388 M390 T401 F410	V387-A399 HydrophobicContact CG1-CB 4.44Å; A388-A399 WeakPolarHBondContact O-CB 3.39Å; A388-A399 PolarHBondContact O-N 3.43Å; M390-A399 HydrophobicContact CE-CB 3.81Å; A399-T401 PolarHBondContact O-N 3.02Å; A399-F410 HydrophobicContact CB-CE1 4.46Å
400	D	91.8	Very high	88.9	Confident	29 Å²	29	51.1 Å²	51.1	16%	0.155	29%	0.29	C	S	.	.			trans	-71.4	105.9	174.7	-173.7	-2.3	0	0	0	111.2	T402 Q405 S406 G407	D400-T402 VanDerWaalsContact OD1-CB 3.31Å; D400-T402 WeakPolarHBondContact OD1-CB 3.37Å; D400-T402 WeakPolarHBondContact OD1-CG2 3.44Å; D400-T402 PolarHBondContact OD1-N 3.12Å; D400-T402 PolarHBondContact OD1-OG1 2.88Å; D400-T402 PolarHBondContact OD2-OG1 2.95Å; D400-Q405 PolarHBondContact O-NE2 3Å; D400-Q405 WeakPolarHBondContact OD2-CA 3.34Å; D400-S406 PolarHBondContact OD2-N 2.99Å; D400-G407 PolarHBondContact OD1-N 2.91Å; D400-G407 WeakPolarHBondContact OD2-CA 3.13Å; D400-G407 PolarHBondContact OD2-N 3.16Å
401	T	91.2	Very high	88.2	Confident	31 Å²	31	55.1 Å²	55.1	19%	0.19	31%	0.311	C	S	.	.			trans	-87.9	-5.8	179.4	56.4	0	0	0	0	113.9	Q382 A388 A399 P593	Q382-T401 PolarHBondContact NE2-O 3.32Å; A388-T401 HydrophobicContact CB-CG2 4.07Å; A399-T401 PolarHBondContact O-N 3.02Å; T401-P593 HydrophobicContact CG2-CB 4.14Å
402	T	88.8	Confident	87.7	Confident	22 Å²	22	58.7 Å²	58.7	14%	0.135	33%	0.327	C	S	.	.			trans	-70.6	146	-175.7	65.2	0	0	0	0	112.5	D400 D404 Q405 S406 L442 A596	D400-T402 VanDerWaalsContact OD1-CB 3.31Å; D400-T402 WeakPolarHBondContact OD1-CB 3.37Å; D400-T402 WeakPolarHBondContact OD1-CG2 3.44Å; D400-T402 PolarHBondContact OD1-N 3.12Å; D400-T402 PolarHBondContact OD1-OG1 2.88Å; D400-T402 PolarHBondContact OD2-OG1 2.95Å; T402-D404 VanDerWaalsContact C-N 3.27Å; T402-D404 WeakPolarHBondContact CB-OD1 3.23Å; T402-D404 PolarHBondContact O-N 3.2Å; T402-D404 PolarHBondContact OG1-OD1 3.21Å; T402-Q405 PolarHBondContact O-N 3.43Å; T402-Q405 PolarHBondContact O-NE2 3.48Å; T402-Q405 VanDerWaalsContact OG1-CA 3.25Å; T402-Q405 WeakPolarHBondContact OG1-CA 3.26Å; T402-Q405 PolarHBondContact OG1-N 2.93Å; T402-Q405 VanDerWaalsContact OG1-N 3.16Å; T402-S406 PolarHBondContact OG1-N 2.94Å; T402-S406 PolarHBondContact OG1-OG 2.72Å; T402-L442 VanDerWaalsContact O-CD1 3.28Å; T402-L442 WeakPolarHBondContact O-CD1 3.26Å; T402-A596 HydrophobicContact CG2-CB 4.2Å
403	E	85.9	Confident	87.4	Confident	50 Å²	50	63 Å²	63	23%	0.234	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.5	-177	68.1	176.5	123	0	0	114.5	K443 R595	E403-K443 WeakPolarHBondContact OE2-CE 3.19Å; E403-K443 IonicContact OE2-NZ 3.83Å; E403-K443 PolarHBondContact OE2-NZ 3.15Å; E403-R595 IonicContact OE1-NH1 2.71Å
404	D	83.8	Confident	87.2	Confident	106 Å²	106	62.5 Å²	62.5	57%	0.567	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-4.1	179.1	65.8	-25.2	0	0	0	113.5	T402 S406	T402-D404 VanDerWaalsContact C-N 3.27Å; T402-D404 WeakPolarHBondContact CB-OD1 3.23Å; T402-D404 PolarHBondContact O-N 3.2Å; T402-D404 PolarHBondContact OG1-OD1 3.21Å; D404-S406 WeakPolarHBondContact OD1-CB 3.27Å; D404-S406 PolarHBondContact OD1-OG 2.56Å; D404-S406 PolarHBondContact OD2-OG 3.5Å
405	Q	85.2	Confident	87.1	Confident	73 Å²	73	64.2 Å²	64.2	34%	0.341	37%	0.365	S	S	.	.			trans	59.5	51.4	-177	-60.3	-76.2	-91.7	0	0	112.7	D400 T402 L442 L461	D400-Q405 PolarHBondContact O-NE2 3Å; D400-Q405 WeakPolarHBondContact OD2-CA 3.34Å; T402-Q405 PolarHBondContact O-N 3.43Å; T402-Q405 PolarHBondContact O-NE2 3.48Å; T402-Q405 VanDerWaalsContact OG1-CA 3.25Å; T402-Q405 WeakPolarHBondContact OG1-CA 3.26Å; T402-Q405 PolarHBondContact OG1-N 2.93Å; T402-Q405 VanDerWaalsContact OG1-N 3.16Å; Q405-L442 HydrophobicContact CG-CD1 4.07Å; Q405-L461 HydrophobicContact CG-CD2 4.32Å
406	S	83.2	Confident	87.2	Confident	76 Å²	76	58.4 Å²	58.4	53%	0.531	34%	0.338	S	S	.	.			trans	-94.8	-3.3	179.3	52.8	0	0	0	0	114.1	D400 T402 D404	D400-S406 PolarHBondContact OD2-N 2.99Å; T402-S406 PolarHBondContact OG1-N 2.94Å; T402-S406 PolarHBondContact OG1-OG 2.72Å; D404-S406 WeakPolarHBondContact OD1-CB 3.27Å; D404-S406 PolarHBondContact OD1-OG 2.56Å; D404-S406 PolarHBondContact OD2-OG 3.5Å
407	G	78.1	Confident	87.2	Confident	40 Å²	40	55.7 Å²	55.7	41%	0.412	32%	0.323	S	S	.	.	S	Bend	trans	-83.1	178.1	-178.8	0	0	0	0	0	114.5	D400	D400-G407 PolarHBondContact OD1-N 2.91Å; D400-G407 WeakPolarHBondContact OD2-CA 3.13Å; D400-G407 PolarHBondContact OD2-N 3.16Å
408	S	76.8	Confident	87.1	Confident	90 Å²	90	57.4 Å²	57.4	63%	0.629	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-79.2	132.6	174.9	45.5	0	0	0	0	111.9
409	S	76.6	Confident	87.1	Confident	77 Å²	77	52.2 Å²	52.2	54%	0.538	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-75.1	139.2	169.4	-176.8	0	0	0	0	111.1	K412	S409-K412 WeakPolarHBondContact OG-CE 3.4Å; S409-K412 PolarHBondContact OG-NZ 2.96Å
410	F	86.3	Confident	87.3	Confident	24 Å²	24	51.9 Å²	51.9	11%	0.105	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-70.7	169.7	163.5	63.1	-79.6	0	0	0	112.5	M390 H397 E398 A399 K412 W417	M390-F410 HydrophobicContact CE-CD1 3.64Å; M390-F410 HydrophobicContact CE-CD2 3.89Å; M390-F410 HydrophobicContact CE-CE1 3.67Å; M390-F410 HydrophobicContact CE-CE2 3.91Å; M390-F410 HydrophobicContact CE-CG 3.78Å; M390-F410 HydrophobicContact CE-CZ 3.8Å; M390-F410 HydrophobicContact SD-CE1 4.27Å; M390-F410 HydrophobicContact SD-CE2 4.12Å; M390-F410 HydrophobicContact SD-CZ 3.92Å; H397-F410 HydrophobicContact CB-CB 4.13Å; E398-F410 WeakPolarHBondContact O-CB 3.25Å; A399-F410 HydrophobicContact CB-CE1 4.46Å; F410-K412 HydrophobicContact CD2-CG 4.24Å; F410-K412 HydrophobicContact CE2-CG 3.83Å; F410-K412 HydrophobicContact CZ-CG 4.16Å; F410-K412 PolarHBondContact O-N 2.86Å; F410-W417 AromaticContact CE2-CD2 3.77Å; F410-W417 HydrophobicContact CE2-CD2 3.77Å; F410-W417 AromaticContact CE2-CE2 3.68Å; F410-W417 AromaticContact CE2-CE3 3.92Å; F410-W417 HydrophobicContact CE2-CE3 3.92Å; F410-W417 HydrophobicContact CE2-CG 4.42Å; F410-W417 AromaticContact CE2-CH2 3.96Å; F410-W417 HydrophobicContact CE2-CH2 3.96Å; F410-W417 AromaticContact CE2-CZ2 3.8Å; F410-W417 HydrophobicContact CE2-CZ2 3.8Å; F410-W417 HydrophobicContact CE2-CZ3 4.01Å; F410-W417 HydrophobicContact CZ-CD2 4.44Å; F410-W417 AromaticContact CZ-CE2 3.97Å; F410-W417 AromaticContact CZ-CH2 3.72Å; F410-W417 HydrophobicContact CZ-CH2 3.72Å; F410-W417 AromaticContact CZ-CZ2 3.61Å; F410-W417 HydrophobicContact CZ-CZ2 3.61Å; F410-W417 HydrophobicContact CZ-CZ3 4.18Å
411	D	81.3	Confident	87.5	Confident	84 Å²	84	50.6 Å²	50.6	45%	0.449	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-70.7	123.5	175.8	-178.6	18.9	0	0	0	111.8	S413	D411-S413 VanDerWaalsContact CG-OG 3.28Å; D411-S413 WeakPolarHBondContact OD1-CB 3.42Å; D411-S413 PolarHBondContact OD1-N 2.84Å; D411-S413 PolarHBondContact OD1-OG 3.05Å; D411-S413 PolarHBondContact OD2-OG 3.42Å; D411-S413 VanDerWaalsContact OD2-OG 3.05Å
412	K	86.6	Confident	87.6	Confident	82 Å²	82	51.1 Å²	51.1	36%	0.357	30%	0.302	S	S	.	.			trans	-107	4.5	-179.7	-66.8	166.9	179.7	161.3	0	112.6	S409 F410	S409-K412 WeakPolarHBondContact OG-CE 3.4Å; S409-K412 PolarHBondContact OG-NZ 2.96Å; F410-K412 HydrophobicContact CD2-CG 4.24Å; F410-K412 HydrophobicContact CE2-CG 3.83Å; F410-K412 HydrophobicContact CZ-CG 4.16Å; F410-K412 PolarHBondContact O-N 2.86Å
413	S	87.1	Confident	88	Confident	95 Å²	95	50.1 Å²	50.1	66%	0.664	30%	0.296	S	S	*	.			trans	-83.5	-23.8	-174.2	73.5	0	0	0	0	114.3	D411	D411-S413 VanDerWaalsContact CG-OG 3.28Å; D411-S413 WeakPolarHBondContact OD1-CB 3.42Å; D411-S413 PolarHBondContact OD1-N 2.84Å; D411-S413 PolarHBondContact OD1-OG 3.05Å; D411-S413 PolarHBondContact OD2-OG 3.42Å; D411-S413 VanDerWaalsContact OD2-OG 3.05Å
414	S	90.9	Very high	88.5	Confident	16 Å²	16	47.8 Å²	47.8	11%	0.112	29%	0.285	C	S	.	.			trans	-63.5	135.5	179.8	179.4	0	0	0	0	112.7	D393 T416 W417 V418	D393-S414 WeakPolarHBondContact OD2-CB 3.4Å; D393-S414 PolarHBondContact OD2-OG 2.86Å; S414-T416 PolarHBondContact O-N 3.1Å; S414-T416 WeakPolarHBondContact OG-CB 3.38Å; S414-T416 PolarHBondContact OG-N 3.14Å; S414-T416 VanDerWaalsContact OG-N 3.12Å; S414-W417 WeakPolarHBondContact O-CB 3.43Å; S414-W417 PolarHBondContact O-N 3.04Å; S414-W417 VanDerWaalsContact O-N 3.14Å; S414-V418 PolarHBondContact O-N 2.88Å
415	L	90.3	Very high	89	Confident	115 Å²	115	42.7 Å²	42.7	60%	0.602	26%	0.258	S	S	*	.	H	α-helix	trans	-63.1	-25.2	171.6	-68.8	170.9	0	0	0	112.4	S419	L415-S419 PolarHBondContact O-N 2.91Å; L415-S419 VanDerWaalsContact O-N 3.14Å; L415-S419 PolarHBondContact O-OG 2.89Å
416	T	93.8	Very high	89.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-46.1	172.4	-59.1	0	0	0	0	110.6	F392 D393 S414 V418 S419 L420 I521 Q523 G524	F392-T416 HydrophobicContact CB-CG2 3.71Å; F392-T416 HydrophobicContact CD2-CG2 4.03Å; F392-T416 HydrophobicContact CG-CG2 4.21Å; D393-T416 WeakPolarHBondContact OD1-CB 3.33Å; D393-T416 WeakPolarHBondContact OD1-CG2 3.48Å; D393-T416 PolarHBondContact OD1-OG1 3.14Å; S414-T416 PolarHBondContact O-N 3.1Å; S414-T416 WeakPolarHBondContact OG-CB 3.38Å; S414-T416 PolarHBondContact OG-N 3.14Å; S414-T416 VanDerWaalsContact OG-N 3.12Å; T416-V418 VanDerWaalsContact C-N 3.34Å; T416-V418 PolarHBondContact O-N 3.07Å; T416-S419 WeakPolarHBondContact O-CA 3.28Å; T416-S419 WeakPolarHBondContact O-CB 3.26Å; T416-S419 PolarHBondContact O-N 2.9Å; T416-S419 VanDerWaalsContact O-N 3.07Å; T416-L420 PolarHBondContact O-N 3.17Å; T416-I521 HydrophobicContact CG2-CG2 3.77Å; T416-Q523 PolarHBondContact OG1-N 3.25Å; T416-G524 PolarHBondContact OG1-N 3.4Å
417	W	94.6	Very high	90.1	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.011	22%	0.216	C	C	.	.	H	α-helix	trans	-57.6	-44.9	174.3	168.5	-112.2	0	0	0	112	M390 F392 F410 S414 S419 L420 A421 I459 M588	M390-W417 HydrophobicContact CG-CZ3 4.39Å; M390-W417 HydrophobicContact SD-CE3 4.27Å; M390-W417 HydrophobicContact SD-CH2 3.78Å; M390-W417 HydrophobicContact SD-CZ3 3.38Å; M390-W417 WeakPolarHBondContact SD-CZ3 3.42Å; F392-W417 HydrophobicContact CD1-CE3 4.46Å; F392-W417 HydrophobicContact CE1-CB 4.47Å; F392-W417 AromaticContact CE1-CE3 3.88Å; F392-W417 HydrophobicContact CE1-CE3 3.88Å; F392-W417 HydrophobicContact CE2-CB 4.04Å; F392-W417 HydrophobicContact CZ-CB 3.91Å; F392-W417 HydrophobicContact CZ-CE3 4.35Å; F410-W417 AromaticContact CE2-CD2 3.77Å; F410-W417 HydrophobicContact CE2-CD2 3.77Å; F410-W417 AromaticContact CE2-CE2 3.68Å; F410-W417 AromaticContact CE2-CE3 3.92Å; F410-W417 HydrophobicContact CE2-CE3 3.92Å; F410-W417 HydrophobicContact CE2-CG 4.42Å; F410-W417 AromaticContact CE2-CH2 3.96Å; F410-W417 HydrophobicContact CE2-CH2 3.96Å; F410-W417 AromaticContact CE2-CZ2 3.8Å; F410-W417 HydrophobicContact CE2-CZ2 3.8Å; F410-W417 HydrophobicContact CE2-CZ3 4.01Å; F410-W417 HydrophobicContact CZ-CD2 4.44Å; F410-W417 AromaticContact CZ-CE2 3.97Å; F410-W417 AromaticContact CZ-CH2 3.72Å; F410-W417 HydrophobicContact CZ-CH2 3.72Å; F410-W417 AromaticContact CZ-CZ2 3.61Å; F410-W417 HydrophobicContact CZ-CZ2 3.61Å; F410-W417 HydrophobicContact CZ-CZ3 4.18Å; S414-W417 WeakPolarHBondContact O-CB 3.43Å; S414-W417 PolarHBondContact O-N 3.04Å; S414-W417 VanDerWaalsContact O-N 3.14Å; W417-S419 PolarHBondContact O-N 2.51Å; W417-L420 HydrophobicContact CE3-CB 4.36Å; W417-L420 HydrophobicContact CE3-CD2 4.21Å; W417-L420 HydrophobicContact CZ3-CD2 4.26Å; W417-L420 PolarHBondContact O-N 3.1Å; W417-L420 VanDerWaalsContact O-N 3.1Å; W417-A421 HydrophobicContact CD2-CB 4.39Å; W417-A421 HydrophobicContact CH2-CB 4.19Å; W417-A421 HydrophobicContact CZ2-CB 3.84Å; W417-A421 WeakPolarHBondContact O-CB 3.31Å; W417-A421 PolarHBondContact O-N 2.83Å; W417-I459 HydrophobicContact CH2-CD1 4.04Å; W417-I459 HydrophobicContact CZ2-CD1 4.38Å; W417-M588 HydrophobicContact CH2-CE 4.03Å; W417-M588 HydrophobicContact CZ3-CE 3.7Å
418	V	92.8	Very high	90.9	Very high	65 Å²	65	33.9 Å²	33.9	39%	0.394	20%	0.197	S	C	.	.	H	α-helix	trans	-61.3	-31.3	177.6	178.8	0	0	0	0	112	S414 T416 R422	S414-V418 PolarHBondContact O-N 2.88Å; T416-V418 VanDerWaalsContact C-N 3.34Å; T416-V418 PolarHBondContact O-N 3.07Å; V418-R422 WeakPolarHBondContact O-CB 3.35Å; V418-R422 PolarHBondContact O-N 2.86Å
419	S	93.3	Very high	91.6	Very high	12 Å²	12	36.5 Å²	36.5	8%	0.084	19%	0.193	C	C	.	.	H	α-helix	trans	-72.4	-48.2	171.7	-61.7	0	0	0	0	111.2	L415 T416 W417 A421 R422 V423	L415-S419 PolarHBondContact O-N 2.91Å; L415-S419 VanDerWaalsContact O-N 3.14Å; L415-S419 PolarHBondContact O-OG 2.89Å; T416-S419 WeakPolarHBondContact O-CA 3.28Å; T416-S419 WeakPolarHBondContact O-CB 3.26Å; T416-S419 PolarHBondContact O-N 2.9Å; T416-S419 VanDerWaalsContact O-N 3.07Å; W417-S419 PolarHBondContact O-N 2.51Å; S419-A421 PolarHBondContact O-N 3.19Å; S419-R422 WeakPolarHBondContact O-CB 3.48Å; S419-R422 PolarHBondContact O-N 2.93Å; S419-R422 VanDerWaalsContact O-N 3.12Å; S419-V423 WeakPolarHBondContact O-CG2 3.42Å; S419-V423 PolarHBondContact O-N 3.24Å
420	L	95.7	Very high	92.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-48.2	-178.3	-172.5	56.9	0	0	0	112.1	F392 T416 W417 R422 V423 A424 F554 V585 M588	F392-L420 HydrophobicContact CB-CD2 4.28Å; F392-L420 HydrophobicContact CD1-CD2 3.79Å; F392-L420 HydrophobicContact CG-CD2 4.36Å; T416-L420 PolarHBondContact O-N 3.17Å; W417-L420 HydrophobicContact CE3-CB 4.36Å; W417-L420 HydrophobicContact CE3-CD2 4.21Å; W417-L420 HydrophobicContact CZ3-CD2 4.26Å; W417-L420 PolarHBondContact O-N 3.1Å; W417-L420 VanDerWaalsContact O-N 3.1Å; L420-R422 VanDerWaalsContact C-N 3.25Å; L420-R422 PolarHBondContact O-N 2.81Å; L420-V423 PolarHBondContact O-N 2.61Å; L420-V423 VanDerWaalsContact O-N 3.16Å; L420-A424 PolarHBondContact O-N 2.86Å; L420-F554 HydrophobicContact CD1-CB 3.6Å; L420-F554 HydrophobicContact CD1-CD2 4.14Å; L420-F554 HydrophobicContact CD1-CG 3.94Å; L420-V585 HydrophobicContact CB-CG1 3.75Å; L420-V585 HydrophobicContact CD1-CB 4.38Å; L420-V585 HydrophobicContact CD1-CG1 4.08Å; L420-V585 HydrophobicContact CG-CG1 4.5Å; L420-M588 HydrophobicContact CD1-CE 4.34Å; L420-M588 HydrophobicContact CD2-CE 4.01Å; L420-M588 HydrophobicContact CD2-CG 4.43Å; L420-M588 HydrophobicContact CG-CE 3.64Å
421	A	95	Very high	92.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-35.9	175.4	0	0	0	0	0	112.6	W417 S419 G425 I459	W417-A421 HydrophobicContact CD2-CB 4.39Å; W417-A421 HydrophobicContact CH2-CB 4.19Å; W417-A421 HydrophobicContact CZ2-CB 3.84Å; W417-A421 WeakPolarHBondContact O-CB 3.31Å; W417-A421 PolarHBondContact O-N 2.83Å; S419-A421 PolarHBondContact O-N 3.19Å; A421-G425 PolarHBondContact O-N 2.94Å; A421-I459 HydrophobicContact CB-CD1 3.87Å
422	R	94.5	Very high	93	Very high	43 Å²	43	33.6 Å²	33.6	16%	0.162	17%	0.173	C	C	.	.	H	α-helix	trans	-68.1	-43.9	175.3	-166.6	-169.7	-47.3	-177.6	6.9	111.6	V418 S419 L420 G425 L426 Y473	V418-R422 WeakPolarHBondContact O-CB 3.35Å; V418-R422 PolarHBondContact O-N 2.86Å; S419-R422 WeakPolarHBondContact O-CB 3.48Å; S419-R422 PolarHBondContact O-N 2.93Å; S419-R422 VanDerWaalsContact O-N 3.12Å; L420-R422 VanDerWaalsContact C-N 3.25Å; L420-R422 PolarHBondContact O-N 2.81Å; R422-G425 PolarHBondContact O-N 2.95Å; R422-L426 HydrophobicContact CG-CD1 3.76Å; R422-L426 HydrophobicContact CG-CG 4.21Å; R422-L426 VanDerWaalsContact O-CB 3.28Å; R422-L426 WeakPolarHBondContact O-CB 3.26Å; R422-L426 VanDerWaalsContact O-CG 3.25Å; R422-L426 WeakPolarHBondContact O-CG 3.33Å; R422-L426 PolarHBondContact O-N 3.18Å; R422-Y473 HydrophobicContact CG-CE2 4.3Å; R422-Y473 PolarHBondContact NH1-OH 2.92Å; R422-Y473 VanDerWaalsContact NH1-OH 3.13Å
423	V	95.9	Very high	93.1	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-47.8	175.1	-171.1	0	0	0	0	110.1	S419 L420 G425 L426 C427 V505 F554 H556 V585	S419-V423 WeakPolarHBondContact O-CG2 3.42Å; S419-V423 PolarHBondContact O-N 3.24Å; L420-V423 PolarHBondContact O-N 2.61Å; L420-V423 VanDerWaalsContact O-N 3.16Å; V423-G425 PolarHBondContact O-N 3.25Å; V423-L426 PolarHBondContact O-N 3.22Å; V423-C427 VanDerWaalsContact O-CB 3.29Å; V423-C427 WeakPolarHBondContact O-CB 3.25Å; V423-C427 PolarHBondContact O-N 3.1Å; V423-V505 HydrophobicContact CB-CG1 4.37Å; V423-V505 HydrophobicContact CG1-CB 3.96Å; V423-V505 HydrophobicContact CG1-CG1 4.22Å; V423-V505 HydrophobicContact CG2-CG1 4.11Å; V423-F554 HydrophobicContact CB-CB 4.38Å; V423-F554 HydrophobicContact CB-CD1 4.26Å; V423-F554 HydrophobicContact CG1-CB 4.05Å; V423-F554 HydrophobicContact CG1-CD1 3.83Å; V423-F554 HydrophobicContact CG1-CG 4.44Å; V423-H556 HydrophobicContact CG2-CB 4.02Å; V423-V585 HydrophobicContact CG2-CG2 4.34Å
424	A	96.3	Very high	93.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-33.2	-179.6	0	0	0	0	0	114.2	L420 N428 L455 I459 F554 M588	L420-A424 PolarHBondContact O-N 2.86Å; A424-N428 VanDerWaalsContact O-CB 3.28Å; A424-N428 WeakPolarHBondContact O-CB 3.41Å; A424-N428 PolarHBondContact O-ND2 3.1Å; A424-L455 HydrophobicContact CB-CD2 4.28Å; A424-I459 HydrophobicContact CB-CD1 4.05Å; A424-I459 HydrophobicContact CB-CG1 3.99Å; A424-F554 HydrophobicContact CB-CD1 4.43Å; A424-F554 HydrophobicContact CB-CE1 4.01Å; A424-M588 HydrophobicContact CB-CE 3.8Å; A424-M588 HydrophobicContact CB-SD 4.18Å
425	G	95.1	Very high	92.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-76.9	-39.1	176.4	0	0	0	0	0	113.9	A421 R422 V423 R470	A421-G425 PolarHBondContact O-N 2.94Å; R422-G425 PolarHBondContact O-N 2.95Å; V423-G425 PolarHBondContact O-N 3.25Å; G425-R470 PolarHBondContact O-NE 2.98Å; G425-R470 PolarHBondContact O-NH2 2.88Å; G425-R470 VanDerWaalsContact O-NH2 3.15Å
426	L	95.5	Very high	92.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-85.6	-46.4	-175.7	-65.7	-174.4	0	0	0	113.9	R422 V423 N428 M469 R470 Y473 L503 V505	R422-L426 HydrophobicContact CG-CD1 3.76Å; R422-L426 HydrophobicContact CG-CG 4.21Å; R422-L426 VanDerWaalsContact O-CB 3.28Å; R422-L426 WeakPolarHBondContact O-CB 3.26Å; R422-L426 VanDerWaalsContact O-CG 3.25Å; R422-L426 WeakPolarHBondContact O-CG 3.33Å; R422-L426 PolarHBondContact O-N 3.18Å; V423-L426 PolarHBondContact O-N 3.22Å; L426-N428 PolarHBondContact O-N 3.33Å; L426-M469 HydrophobicContact CD2-CG 4.24Å; L426-R470 HydrophobicContact CD2-CG 4.04Å; L426-Y473 HydrophobicContact CD1-CD1 4.42Å; L426-Y473 HydrophobicContact CD1-CD2 4.01Å; L426-Y473 HydrophobicContact CD1-CG 3.79Å; L426-Y473 HydrophobicContact CD2-CD2 4.3Å; L426-Y473 HydrophobicContact CD2-CG 4.39Å; L426-L503 HydrophobicContact CD1-CD2 4.36Å; L426-V505 HydrophobicContact CB-CG2 4.18Å
427	C	95.9	Very high	92.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-81.2	56.3	179.2	-165.1	0	0	0	0	110.3	V423 Q488 V505 K507	V423-C427 VanDerWaalsContact O-CB 3.29Å; V423-C427 WeakPolarHBondContact O-CB 3.25Å; V423-C427 PolarHBondContact O-N 3.1Å; C427-Q488 PolarHBondContact SG-O 3.46Å; C427-Q488 VanDerWaalsContact SG-O 3.4Å; C427-V505 HydrophobicContact CB-CB 4.09Å; C427-V505 HydrophobicContact CB-CG2 3.75Å; C427-K507 VanDerWaalsContact O-CD 3.29Å; C427-K507 WeakPolarHBondContact O-CD 3.3Å; C427-K507 VanDerWaalsContact O-CE 3.23Å; C427-K507 WeakPolarHBondContact O-CE 3.22Å; C427-K507 PolarHBondContact O-NZ 2.84Å
428	N	94.5	Very high	92	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.011	27%	0.273	C	S	.	.			trans	-154.8	130.6	-170.2	-176	-28.7	0	0	0	110.3	A424 L426 A430 E452 R470	A424-N428 VanDerWaalsContact O-CB 3.28Å; A424-N428 WeakPolarHBondContact O-CB 3.41Å; A424-N428 PolarHBondContact O-ND2 3.1Å; L426-N428 PolarHBondContact O-N 3.33Å; N428-A430 VanDerWaalsContact OD1-CB 3.26Å; N428-A430 WeakPolarHBondContact OD1-CB 3.41Å; N428-A430 PolarHBondContact OD1-N 3.48Å; N428-E452 VanDerWaalsContact CA-OE1 3.3Å; N428-E452 WeakPolarHBondContact CA-OE1 3.37Å; N428-E452 PolarHBondContact ND2-O 2.96Å; N428-E452 WeakPolarHBondContact OD1-CB 3.26Å; N428-R470 PolarHBondContact O-NH2 3.18Å; N428-R470 VanDerWaalsContact O-NH2 3.17Å; N428-R470 PolarHBondContact OD1-NH2 3.41Å
429	R	91.1	Very high	91.8	Very high	145 Å²	145	48 Å²	48	55%	0.547	27%	0.274	S	S	.	.			trans	-97.3	-13.1	-178.7	-62.8	166.9	66.3	-155.7	0.4	113.3	E452 E478	R429-E452 WeakPolarHBondContact CA-OE2 3.37Å; R429-E452 WeakPolarHBondContact CB-OE2 3.47Å; R429-E452 VanDerWaalsContact N-CD 3.31Å; R429-E452 PolarHBondContact N-OE1 3.44Å; R429-E452 PolarHBondContact N-OE2 2.84Å; R429-E478 WeakPolarHBondContact CD-OE1 3.4Å; R429-E478 VanDerWaalsContact CG-OE1 3.25Å; R429-E478 WeakPolarHBondContact CG-OE1 3.42Å
430	A	90.8	Very high	91.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.295	C	S	.	.			trans	-62.1	140.3	179.5	0	0	0	0	0	112.9	N428 V446 A447 E452 L456 R470	N428-A430 VanDerWaalsContact OD1-CB 3.26Å; N428-A430 WeakPolarHBondContact OD1-CB 3.41Å; N428-A430 PolarHBondContact OD1-N 3.48Å; A430-V446 HydrophobicContact CB-CG1 3.65Å; A430-A447 VanDerWaalsContact CA-O 3.29Å; A430-A447 WeakPolarHBondContact CA-O 3.45Å; A430-E452 HydrophobicContact CB-CB 3.69Å; A430-E452 PolarHBondContact N-OE2 2.9Å; A430-L456 HydrophobicContact CB-CB 4.31Å; A430-L456 HydrophobicContact CB-CD2 4.08Å; A430-R470 PolarHBondContact O-NH1 3.11Å; A430-R470 PolarHBondContact O-NH2 2.97Å
431	V	91.8	Very high	91.5	Very high	74 Å²	74	53.1 Å²	53.1	45%	0.448	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.6	177.3	-67	0	0	0	0	111.6	V446 A447	V431-V446 CarbonylContact O-C 3.59Å; V431-V446 WeakPolarHBondContact O-CA 3.27Å; V431-V446 WeakPolarHBondContact O-CG1 3.42Å; V431-A447 HydrophobicContact CG2-CB 4.19Å; V431-A447 PolarHBondContact N-O 3.23Å; V431-A447 PolarHBondContact O-N 2.94Å
432	F	91.9	Very high	91.3	Very high	50 Å²	50	53.4 Å²	53.4	22%	0.219	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	144.5	171.6	-65	-68.3	0	0	0	111.3	I441 R444 D445 V446 L456 K457 E460	F432-I441 HydrophobicContact CZ-CG2 4.02Å; F432-R444 HydrophobicContact CD1-CB 3.56Å; F432-R444 HydrophobicContact CD1-CG 4.39Å; F432-R444 HydrophobicContact CE1-CB 3.8Å; F432-D445 WeakPolarHBondContact CA-O 3.45Å; F432-V446 HydrophobicContact CD1-CG2 3.74Å; F432-V446 HydrophobicContact CE1-CG2 3.8Å; F432-L456 HydrophobicContact CD1-CD2 4.38Å; F432-L456 HydrophobicContact CD2-CD2 4.12Å; F432-L456 HydrophobicContact CE1-CD2 4.23Å; F432-L456 HydrophobicContact CE2-CD1 4.26Å; F432-L456 HydrophobicContact CE2-CD2 3.95Å; F432-L456 HydrophobicContact CE2-CG 3.91Å; F432-L456 HydrophobicContact CG-CD2 4.33Å; F432-L456 HydrophobicContact CZ-CD2 4.01Å; F432-L456 HydrophobicContact CZ-CG 3.95Å; F432-K457 HydrophobicContact CE1-CG 4.09Å; F432-K457 HydrophobicContact CZ-CG 4.24Å; F432-E460 HydrophobicContact CE2-CB 4.15Å; F432-E460 HydrophobicContact CE2-CG 3.81Å; F432-E460 HydrophobicContact CZ-CB 4.22Å; F432-E460 HydrophobicContact CZ-CG 4.12Å
433	K	88.9	Confident	91	Very high	111 Å²	111	56.8 Å²	56.8	48%	0.483	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-69.1	151	171.3	-65.8	-174	-171.7	166.1	0	110.8	D445	K433-D445 HydrophobicContact CB-CB 4.34Å; K433-D445 HydrophobicContact CD-CB 3.69Å; K433-D445 HydrophobicContact CG-CB 4.01Å; K433-D445 PolarHBondContact N-O 3.13Å; K433-D445 VanDerWaalsContact N-O 3.09Å
434	A	87.6	Confident	90.7	Very high	102 Å²	102	58.7 Å²	58.7	84%	0.843	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	149.3	-178.8	0	0	0	0	0	112.4
435	G	86.2	Confident	90.3	Very high	79 Å²	79	62.6 Å²	62.6	81%	0.814	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	11.5	173.7	0	0	0	0	0	116.1
436	Q	87.1	Confident	90	Very high	26 Å²	26	63.9 Å²	63.9	12%	0.121	36%	0.357	C	S	.	.			trans	-107.8	16.6	-172	-58.8	-166.8	-14	0	0	114.9	S438 L439 R444 D445	Q436-S438 VanDerWaalsContact C-N 3.27Å; Q436-S438 PolarHBondContact O-N 3.03Å; Q436-L439 HydrophobicContact CB-CD1 4.24Å; Q436-L439 HydrophobicContact CG-CD1 4.36Å; Q436-L439 PolarHBondContact O-N 2.89Å; Q436-L439 VanDerWaalsContact O-N 3.11Å; Q436-R444 HydrophobicContact CB-CG 4.2Å; Q436-R444 PolarHBondContact O-NE 3.45Å; Q436-R444 VanDerWaalsContact O-NE 3.15Å; Q436-D445 PolarHBondContact NE2-OD2 3.15Å; Q436-D445 PolarHBondContact OE1-O 3.01Å
437	E	85.8	Confident	89.5	Confident	171 Å²	171	66.2 Å²	66.2	80%	0.799	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.5	-175.2	-64.7	-178.8	-178.1	0	0	113.3	L439 R444	E437-L439 VanDerWaalsContact C-N 3.3Å; E437-L439 PolarHBondContact O-N 2.73Å; E437-R444 PolarHBondContact O-NH2 2.71Å
438	S	87.3	Confident	88.8	Confident	114 Å²	114	68.2 Å²	68.2	80%	0.797	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-12.7	176.8	56.4	0	0	0	0	114.7	Q436	Q436-S438 VanDerWaalsContact C-N 3.27Å; Q436-S438 PolarHBondContact O-N 3.03Å
439	L	88.7	Confident	88.2	Confident	77 Å²	77	70.6 Å²	70.6	40%	0.403	41%	0.41	S	S	.	.	S	Bend	trans	-88	145.9	178.7	-63.9	176.6	0	0	0	111.2	Q436 E437 R444	Q436-L439 HydrophobicContact CB-CD1 4.24Å; Q436-L439 HydrophobicContact CG-CD1 4.36Å; Q436-L439 PolarHBondContact O-N 2.89Å; Q436-L439 VanDerWaalsContact O-N 3.11Å; E437-L439 VanDerWaalsContact C-N 3.3Å; E437-L439 PolarHBondContact O-N 2.73Å; L439-R444 HydrophobicContact CB-CG 4.04Å; L439-R444 PolarHBondContact O-NE 3.27Å; L439-R444 PolarHBondContact O-NH2 3.28Å
440	P	90.9	Very high	87.9	Confident	81 Å²	81	65.5 Å²	65.5	53%	0.526	40%	0.399	S	S	.	.			trans	-55.6	139.4	170.9	-23.9	33.7	0	0	0	111.7	L442 K443 R444	P440-L442 VanDerWaalsContact C-N 3.25Å; P440-L442 PolarHBondContact O-N 3.43Å; P440-L442 VanDerWaalsContact O-N 3.11Å; P440-K443 CarbonylContact O-C 3.58Å; P440-K443 WeakPolarHBondContact O-CA 3.37Å; P440-K443 PolarHBondContact O-N 2.79Å; P440-R444 PolarHBondContact O-N 3.39Å
441	I	91.9	Very high	87.8	Confident	37 Å²	37	65.9 Å²	65.9	19%	0.19	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-51	-43.4	-172.3	-65.3	163.2	0	0	0	112.4	F432 K443 R444 K457 E460 L461	F432-I441 HydrophobicContact CZ-CG2 4.02Å; I441-K443 VanDerWaalsContact C-N 3.3Å; I441-K443 PolarHBondContact O-N 3.37Å; I441-R444 PolarHBondContact O-N 2.9Å; I441-K457 HydrophobicContact CG2-CB 4.42Å; I441-K457 HydrophobicContact CG2-CG 4.34Å; I441-K457 WeakPolarHBondContact O-CE 3.45Å; I441-E460 HydrophobicContact CD1-CG 4.02Å; I441-E460 HydrophobicContact CG1-CG 4.24Å; I441-E460 HydrophobicContact CG2-CB 4.01Å; I441-E460 HydrophobicContact CG2-CG 4.01Å; I441-L461 HydrophobicContact CB-CD2 4.18Å; I441-L461 HydrophobicContact CB-CG 4.25Å; I441-L461 HydrophobicContact CD1-CD2 3.86Å; I441-L461 HydrophobicContact CD1-CG 4.16Å; I441-L461 HydrophobicContact CG2-CG 4.02Å
442	L	90	Very high	87.8	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.042	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-64.5	-29.6	178.9	-68.5	179.7	0	0	0	114	R384 T402 Q405 P440 K457 L461	R384-L442 WeakPolarHBondContact CD-O 3.47Å; T402-L442 VanDerWaalsContact O-CD1 3.28Å; T402-L442 WeakPolarHBondContact O-CD1 3.26Å; Q405-L442 HydrophobicContact CG-CD1 4.07Å; P440-L442 VanDerWaalsContact C-N 3.25Å; P440-L442 PolarHBondContact O-N 3.43Å; P440-L442 VanDerWaalsContact O-N 3.11Å; L442-K457 HydrophobicContact CD2-CB 4.27Å; L442-K457 HydrophobicContact CD2-CD 4.5Å; L442-K457 PolarHBondContact O-NZ 3.04Å; L442-L461 HydrophobicContact CD2-CD1 3.66Å; L442-L461 HydrophobicContact CG-CD1 3.98Å
443	K	87.8	Confident	87.8	Confident	114 Å²	114	61.3 Å²	61.3	50%	0.496	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-95.3	-0.2	-179.6	-62.6	-168.8	177.6	-171.7	0	113.7	E403 P440 I441	E403-K443 WeakPolarHBondContact OE2-CE 3.19Å; E403-K443 IonicContact OE2-NZ 3.83Å; E403-K443 PolarHBondContact OE2-NZ 3.15Å; P440-K443 CarbonylContact O-C 3.58Å; P440-K443 WeakPolarHBondContact O-CA 3.37Å; P440-K443 PolarHBondContact O-N 2.79Å; I441-K443 VanDerWaalsContact C-N 3.3Å; I441-K443 PolarHBondContact O-N 3.37Å
444	R	90.6	Very high	88	Confident	40 Å²	40	56.1 Å²	56.1	15%	0.151	36%	0.356	C	S	.	.	S	Bend	trans	-71.1	141.3	170.2	-64.4	177	-173.6	170.2	-2.5	110.9	F432 Q436 E437 L439 P440 I441 K457	F432-R444 HydrophobicContact CD1-CB 3.56Å; F432-R444 HydrophobicContact CD1-CG 4.39Å; F432-R444 HydrophobicContact CE1-CB 3.8Å; Q436-R444 HydrophobicContact CB-CG 4.2Å; Q436-R444 PolarHBondContact O-NE 3.45Å; Q436-R444 VanDerWaalsContact O-NE 3.15Å; E437-R444 PolarHBondContact O-NH2 2.71Å; L439-R444 HydrophobicContact CB-CG 4.04Å; L439-R444 PolarHBondContact O-NE 3.27Å; L439-R444 PolarHBondContact O-NH2 3.28Å; P440-R444 PolarHBondContact O-N 3.39Å; I441-R444 PolarHBondContact O-N 2.9Å; R444-K457 WeakPolarHBondContact O-CE 3.34Å; R444-K457 PolarHBondContact O-NZ 2.95Å
445	D	87.4	Confident	88.4	Confident	83 Å²	83	51.2 Å²	51.2	44%	0.444	32%	0.315	S	S	.	.			trans	-72.8	143.3	169.9	-62.7	-43.5	0	0	0	110.6	F432 K433 Q436	F432-D445 WeakPolarHBondContact CA-O 3.45Å; K433-D445 HydrophobicContact CB-CB 4.34Å; K433-D445 HydrophobicContact CD-CB 3.69Å; K433-D445 HydrophobicContact CG-CB 4.01Å; K433-D445 PolarHBondContact N-O 3.13Å; K433-D445 VanDerWaalsContact N-O 3.09Å; Q436-D445 PolarHBondContact NE2-OD2 3.15Å; Q436-D445 PolarHBondContact OE1-O 3.01Å
446	V	87.5	Confident	88.9	Confident	26 Å²	26	47.7 Å²	47.7	16%	0.158	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.7	179.1	-177.8	0	0	0	0	108.6	A430 V431 F432 S453 L456	A430-V446 HydrophobicContact CB-CG1 3.65Å; V431-V446 CarbonylContact O-C 3.59Å; V431-V446 WeakPolarHBondContact O-CA 3.27Å; V431-V446 WeakPolarHBondContact O-CG1 3.42Å; F432-V446 HydrophobicContact CD1-CG2 3.74Å; F432-V446 HydrophobicContact CE1-CG2 3.8Å; V446-S453 WeakPolarHBondContact CB-OG 3.32Å; V446-S453 WeakPolarHBondContact CG1-OG 3.48Å; V446-L456 HydrophobicContact CG1-CD2 3.73Å; V446-L456 HydrophobicContact CG2-CD2 4.13Å
447	A	86.1	Confident	89.3	Confident	51 Å²	51	47.4 Å²	47.4	42%	0.421	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.4	165.1	0	0	0	0	0	107.8	A430 V431	A430-A447 VanDerWaalsContact CA-O 3.29Å; A430-A447 WeakPolarHBondContact CA-O 3.45Å; V431-A447 HydrophobicContact CG2-CB 4.19Å; V431-A447 PolarHBondContact N-O 3.23Å; V431-A447 PolarHBondContact O-N 2.94Å
448	G	81.7	Confident	89.7	Confident	41 Å²	41	39.9 Å²	39.9	42%	0.423	24%	0.242	S	C	.	.	S	Bend	trans	160.2	175.3	-174.4	0	0	0	0	0	110.1
449	D	82	Confident	90.1	Very high	52 Å²	52	34.4 Å²	34.4	28%	0.278	20%	0.204	S	C	.	.			trans	-74	167.2	172.5	77.3	50.3	0	0	0	112	S451 E452 S453	D449-S451 VanDerWaalsContact C-N 3.33Å; D449-S451 PolarHBondContact O-N 3.46Å; D449-S451 WeakPolarHBondContact OD1-CA 3.5Å; D449-S451 WeakPolarHBondContact OD1-CB 3.34Å; D449-S451 PolarHBondContact OD1-N 3.23Å; D449-E452 PolarHBondContact O-N 3.3Å; D449-E452 PolarHBondContact OD1-N 2.66Å; D449-S453 VanDerWaalsContact O-CB 3.24Å; D449-S453 WeakPolarHBondContact O-CB 3.38Å; D449-S453 PolarHBondContact O-N 3.49Å; D449-S453 PolarHBondContact O-OG 3.32Å
450	A	84.3	Confident	90.3	Very high	38 Å²	38	32.1 Å²	32.1	31%	0.314	19%	0.191	S	C	.	.	H	α-helix	trans	-62.6	-36.5	-176.2	0	0	0	0	0	113.2	M385 A454	M385-A450 HydrophobicContact CB-CB 4.04Å; A450-A454 WeakPolarHBondContact O-CB 3.47Å; A450-A454 PolarHBondContact O-N 3.32Å
451	S	89.4	Confident	90.4	Very high	9 Å²	9	31 Å²	31	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-73.5	-43.7	179.5	-68	0	0	0	0	111.8	D449 S453 A454 L455 R550 M590	D449-S451 VanDerWaalsContact C-N 3.33Å; D449-S451 PolarHBondContact O-N 3.46Å; D449-S451 WeakPolarHBondContact OD1-CA 3.5Å; D449-S451 WeakPolarHBondContact OD1-CB 3.34Å; D449-S451 PolarHBondContact OD1-N 3.23Å; S451-S453 VanDerWaalsContact C-N 3.29Å; S451-S453 PolarHBondContact O-N 2.71Å; S451-A454 PolarHBondContact O-N 3.13Å; S451-L455 WeakPolarHBondContact O-CG 3.43Å; S451-L455 PolarHBondContact O-N 3.46Å; S451-L455 VanDerWaalsContact O-N 3.1Å; S451-R550 PolarHBondContact OG-NE 3.09Å; S451-M590 WeakPolarHBondContact CA-SD 3.36Å; S451-M590 WeakPolarHBondContact CB-SD 3.31Å; S451-M590 PolarHBondContact OG-SD 3.48Å
452	E	91.1	Very high	90.2	Very high	9 Å²	9	30.5 Å²	30.5	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-36.6	172.9	-71.4	-151	132.6	0	0	112.4	N428 R429 A430 D449 L455 L456 Q488 K507	N428-E452 VanDerWaalsContact CA-OE1 3.3Å; N428-E452 WeakPolarHBondContact CA-OE1 3.37Å; N428-E452 PolarHBondContact ND2-O 2.96Å; N428-E452 WeakPolarHBondContact OD1-CB 3.26Å; R429-E452 WeakPolarHBondContact CA-OE2 3.37Å; R429-E452 WeakPolarHBondContact CB-OE2 3.47Å; R429-E452 VanDerWaalsContact N-CD 3.31Å; R429-E452 PolarHBondContact N-OE1 3.44Å; R429-E452 PolarHBondContact N-OE2 2.84Å; A430-E452 HydrophobicContact CB-CB 3.69Å; A430-E452 PolarHBondContact N-OE2 2.9Å; D449-E452 PolarHBondContact O-N 3.3Å; D449-E452 PolarHBondContact OD1-N 2.66Å; E452-L455 PolarHBondContact O-N 3.3Å; E452-L456 WeakPolarHBondContact O-CB 3.47Å; E452-L456 PolarHBondContact O-N 3.13Å; E452-Q488 PolarHBondContact OE1-NE2 3.28Å; E452-Q488 PolarHBondContact OE1-OE1 3.04Å; E452-Q488 VanDerWaalsContact OE1-OE1 3.13Å; E452-K507 IonicContact OE1-NZ 2.68Å; E452-K507 PolarHBondContact OE1-NZ 3.08Å
453	S	92.1	Very high	90.2	Very high	18 Å²	18	32.9 Å²	32.9	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-39.9	175.5	-60.1	0	0	0	0	112.5	V446 D449 S451 L456 K457	V446-S453 WeakPolarHBondContact CB-OG 3.32Å; V446-S453 WeakPolarHBondContact CG1-OG 3.48Å; D449-S453 VanDerWaalsContact O-CB 3.24Å; D449-S453 WeakPolarHBondContact O-CB 3.38Å; D449-S453 PolarHBondContact O-N 3.49Å; D449-S453 PolarHBondContact O-OG 3.32Å; S451-S453 VanDerWaalsContact C-N 3.29Å; S451-S453 PolarHBondContact O-N 2.71Å; S453-L456 PolarHBondContact O-N 2.77Å; S453-K457 WeakPolarHBondContact O-CB 3.32Å; S453-K457 WeakPolarHBondContact O-CG 3.46Å; S453-K457 PolarHBondContact O-N 3.17Å
454	A	93.4	Very high	90.3	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-48.6	174.3	0	0	0	0	0	111.2	M385 V387 A450 S451 K457 C458 M590	M385-A454 HydrophobicContact CB-CB 4.3Å; M385-A454 HydrophobicContact CG-CB 4Å; M385-A454 VanDerWaalsContact O-CB 3.27Å; M385-A454 WeakPolarHBondContact O-CB 3.46Å; V387-A454 HydrophobicContact CG2-CB 4.43Å; A450-A454 WeakPolarHBondContact O-CB 3.47Å; A450-A454 PolarHBondContact O-N 3.32Å; S451-A454 PolarHBondContact O-N 3.13Å; A454-K457 PolarHBondContact O-N 3.28Å; A454-C458 WeakPolarHBondContact O-CB 3.49Å; A454-C458 PolarHBondContact O-N 3.31Å; A454-M590 HydrophobicContact CB-SD 4.2Å
455	L	95.8	Very high	90.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-46.7	176.8	-65.6	168.8	0	0	0	111.5	V387 A424 S451 E452 K457 C458 I459 K507 L552 F554 M588 M590	V387-L455 HydrophobicContact CG2-CD2 4.07Å; A424-L455 HydrophobicContact CB-CD2 4.28Å; S451-L455 WeakPolarHBondContact O-CG 3.43Å; S451-L455 PolarHBondContact O-N 3.46Å; S451-L455 VanDerWaalsContact O-N 3.1Å; E452-L455 PolarHBondContact O-N 3.3Å; L455-K457 VanDerWaalsContact C-N 3.32Å; L455-K457 PolarHBondContact O-N 3.15Å; L455-C458 PolarHBondContact O-N 2.82Å; L455-I459 WeakPolarHBondContact O-CG1 3.44Å; L455-I459 PolarHBondContact O-N 3.12Å; L455-K507 HydrophobicContact CD1-CD 4.45Å; L455-L552 HydrophobicContact CD1-CD1 4.29Å; L455-F554 HydrophobicContact CD1-CE1 4.18Å; L455-F554 HydrophobicContact CD1-CZ 3.87Å; L455-F554 HydrophobicContact CD2-CE1 4.46Å; L455-F554 HydrophobicContact CD2-CZ 3.78Å; L455-M588 HydrophobicContact CD2-CB 4.34Å; L455-M588 HydrophobicContact CD2-CG 4.45Å; L455-M588 HydrophobicContact CD2-SD 3.42Å; L455-M588 WeakPolarHBondContact CD2-SD 3.47Å; L455-M590 HydrophobicContact CD1-CE 4.32Å; L455-M590 HydrophobicContact CD2-CE 3.93Å; L455-M590 HydrophobicContact CG-CE 3.89Å
456	L	95.7	Very high	90.7	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-55.9	-47.5	177.9	177.2	68.3	0	0	0	111.3	A430 F432 V446 E452 S453 E460 V466	A430-L456 HydrophobicContact CB-CB 4.31Å; A430-L456 HydrophobicContact CB-CD2 4.08Å; F432-L456 HydrophobicContact CD1-CD2 4.38Å; F432-L456 HydrophobicContact CD2-CD2 4.12Å; F432-L456 HydrophobicContact CE1-CD2 4.23Å; F432-L456 HydrophobicContact CE2-CD1 4.26Å; F432-L456 HydrophobicContact CE2-CD2 3.95Å; F432-L456 HydrophobicContact CE2-CG 3.91Å; F432-L456 HydrophobicContact CG-CD2 4.33Å; F432-L456 HydrophobicContact CZ-CD2 4.01Å; F432-L456 HydrophobicContact CZ-CG 3.95Å; V446-L456 HydrophobicContact CG1-CD2 3.73Å; V446-L456 HydrophobicContact CG2-CD2 4.13Å; E452-L456 WeakPolarHBondContact O-CB 3.47Å; E452-L456 PolarHBondContact O-N 3.13Å; S453-L456 PolarHBondContact O-N 2.77Å; L456-E460 WeakPolarHBondContact O-CB 3.02Å; L456-E460 PolarHBondContact O-N 3.42Å; L456-V466 HydrophobicContact CD1-CB 3.88Å; L456-V466 HydrophobicContact CD1-CG1 3.78Å; L456-V466 HydrophobicContact CD1-CG2 4.09Å
457	K	94.9	Very high	90.9	Very high	20 Å²	20	31.7 Å²	31.7	9%	0.087	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-43	179.2	-74.8	174.4	172.2	-176	0	112	F432 I441 L442 R444 S453 A454 L455 E460 L461	F432-K457 HydrophobicContact CE1-CG 4.09Å; F432-K457 HydrophobicContact CZ-CG 4.24Å; I441-K457 HydrophobicContact CG2-CB 4.42Å; I441-K457 HydrophobicContact CG2-CG 4.34Å; I441-K457 WeakPolarHBondContact O-CE 3.45Å; L442-K457 HydrophobicContact CD2-CB 4.27Å; L442-K457 HydrophobicContact CD2-CD 4.5Å; L442-K457 PolarHBondContact O-NZ 3.04Å; R444-K457 WeakPolarHBondContact O-CE 3.34Å; R444-K457 PolarHBondContact O-NZ 2.95Å; S453-K457 WeakPolarHBondContact O-CB 3.32Å; S453-K457 WeakPolarHBondContact O-CG 3.46Å; S453-K457 PolarHBondContact O-N 3.17Å; A454-K457 PolarHBondContact O-N 3.28Å; L455-K457 VanDerWaalsContact C-N 3.32Å; L455-K457 PolarHBondContact O-N 3.15Å; K457-E460 PolarHBondContact O-N 3.01Å; K457-L461 WeakPolarHBondContact O-CB 3.3Å; K457-L461 WeakPolarHBondContact O-CD1 3.2Å; K457-L461 WeakPolarHBondContact O-CG 3.34Å; K457-L461 PolarHBondContact O-N 2.59Å
458	C	94.9	Very high	91.2	Very high	13 Å²	13	33 Å²	33	9%	0.088	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-46.3	177.2	-179.2	0	0	0	0	112.6	V387 A454 L455 S462	V387-C458 HydrophobicContact CB-CB 4Å; V387-C458 HydrophobicContact CG2-CB 3.66Å; A454-C458 WeakPolarHBondContact O-CB 3.49Å; A454-C458 PolarHBondContact O-N 3.31Å; L455-C458 PolarHBondContact O-N 2.82Å; C458-S462 VanDerWaalsContact O-CB 3.28Å; C458-S462 WeakPolarHBondContact O-CB 3.41Å; C458-S462 PolarHBondContact O-N 3.25Å; C458-S462 PolarHBondContact O-OG 2.68Å; C458-S462 VanDerWaalsContact O-OG 3.09Å
459	I	95.1	Very high	91.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-73.1	-38.7	-179.7	-54.1	-44.9	0	0	0	111.5	W417 A421 A424 L455 L461 S462 C463 V466 M469 M588	W417-I459 HydrophobicContact CH2-CD1 4.04Å; W417-I459 HydrophobicContact CZ2-CD1 4.38Å; A421-I459 HydrophobicContact CB-CD1 3.87Å; A424-I459 HydrophobicContact CB-CD1 4.05Å; A424-I459 HydrophobicContact CB-CG1 3.99Å; L455-I459 WeakPolarHBondContact O-CG1 3.44Å; L455-I459 PolarHBondContact O-N 3.12Å; I459-L461 VanDerWaalsContact C-N 3.29Å; I459-L461 PolarHBondContact O-N 2.8Å; I459-S462 PolarHBondContact O-N 2.83Å; I459-C463 HydrophobicContact CG2-CB 3.95Å; I459-C463 WeakPolarHBondContact O-CA 3.24Å; I459-C463 WeakPolarHBondContact O-CB 3.3Å; I459-C463 PolarHBondContact O-N 2.93Å; I459-V466 HydrophobicContact CB-CG2 3.82Å; I459-V466 HydrophobicContact CG2-CG2 3.73Å; I459-M469 HydrophobicContact CG2-CE 3.95Å; I459-M588 HydrophobicContact CD1-CE 4.21Å
460	E	94.3	Very high	92.2	Very high	28 Å²	28	32.8 Å²	32.8	13%	0.131	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-38	175.5	-168.8	79.3	-166.6	0	0	111.7	F432 I441 L456 K457 G464 S465 V466	F432-E460 HydrophobicContact CE2-CB 4.15Å; F432-E460 HydrophobicContact CE2-CG 3.81Å; F432-E460 HydrophobicContact CZ-CB 4.22Å; F432-E460 HydrophobicContact CZ-CG 4.12Å; I441-E460 HydrophobicContact CD1-CG 4.02Å; I441-E460 HydrophobicContact CG1-CG 4.24Å; I441-E460 HydrophobicContact CG2-CB 4.01Å; I441-E460 HydrophobicContact CG2-CG 4.01Å; L456-E460 WeakPolarHBondContact O-CB 3.02Å; L456-E460 PolarHBondContact O-N 3.42Å; K457-E460 PolarHBondContact O-N 3.01Å; E460-G464 WeakPolarHBondContact CA-O 3.24Å; E460-G464 PolarHBondContact O-N 2.96Å; E460-S465 WeakPolarHBondContact OE1-CA 3.28Å; E460-S465 PolarHBondContact OE1-OG 2.78Å; E460-S465 WeakPolarHBondContact OE2-CA 3.04Å; E460-V466 HydrophobicContact CB-CG2 4.22Å; E460-V466 PolarHBondContact OE2-N 2.85Å
461	L	91.8	Very high	92.5	Very high	59 Å²	59	36.3 Å²	36.3	31%	0.309	21%	0.208	S	C	.	.	H	α-helix	trans	-69.7	-44.1	173.5	-77.5	162	0	0	0	113.1	Q405 I441 L442 K457 I459	Q405-L461 HydrophobicContact CG-CD2 4.32Å; I441-L461 HydrophobicContact CB-CD2 4.18Å; I441-L461 HydrophobicContact CB-CG 4.25Å; I441-L461 HydrophobicContact CD1-CD2 3.86Å; I441-L461 HydrophobicContact CD1-CG 4.16Å; I441-L461 HydrophobicContact CG2-CG 4.02Å; L442-L461 HydrophobicContact CD2-CD1 3.66Å; L442-L461 HydrophobicContact CG-CD1 3.98Å; K457-L461 WeakPolarHBondContact O-CB 3.3Å; K457-L461 WeakPolarHBondContact O-CD1 3.2Å; K457-L461 WeakPolarHBondContact O-CG 3.34Å; K457-L461 PolarHBondContact O-N 2.59Å; I459-L461 VanDerWaalsContact C-N 3.29Å; I459-L461 PolarHBondContact O-N 2.8Å
462	S	89.3	Confident	92.5	Very high	26 Å²	26	40.2 Å²	40.2	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-91.5	-25.8	-167.9	-63.9	0	0	0	0	114.7	C458 I459	C458-S462 VanDerWaalsContact O-CB 3.28Å; C458-S462 WeakPolarHBondContact O-CB 3.41Å; C458-S462 PolarHBondContact O-N 3.25Å; C458-S462 PolarHBondContact O-OG 2.68Å; C458-S462 VanDerWaalsContact O-OG 3.09Å; I459-S462 PolarHBondContact O-N 2.83Å
463	C	88.8	Confident	92.6	Very high	57 Å²	57	40.4 Å²	40.4	39%	0.385	22%	0.224	S	C	.	.	H	α-helix	trans	-129.3	2.1	-170.8	-61.6	0	0	0	0	113.7	I459 M469	I459-C463 HydrophobicContact CG2-CB 3.95Å; I459-C463 WeakPolarHBondContact O-CA 3.24Å; I459-C463 WeakPolarHBondContact O-CB 3.3Å; I459-C463 PolarHBondContact O-N 2.93Å; C463-M469 HydrophobicContact CB-CE 4.28Å
464	G	90.5	Very high	92.5	Very high	36 Å²	36	45.6 Å²	45.6	37%	0.371	25%	0.245	S	C	.	.	S	Bend	trans	76.9	-163.5	-174.5	0	0	0	0	0	112.5	E460 V466	E460-G464 WeakPolarHBondContact CA-O 3.24Å; E460-G464 PolarHBondContact O-N 2.96Å; G464-V466 PolarHBondContact O-N 3.36Å; G464-V466 VanDerWaalsContact O-N 3.12Å
465	S	93.2	Very high	92.6	Very high	53 Å²	53	49.1 Å²	49.1	37%	0.371	26%	0.26	S	S	.	.			trans	-64	116.5	-161.9	-163.4	0	0	0	0	114.7	E460 K467 S468 M469	E460-S465 WeakPolarHBondContact OE1-CA 3.28Å; E460-S465 PolarHBondContact OE1-OG 2.78Å; E460-S465 WeakPolarHBondContact OE2-CA 3.04Å; S465-K467 PolarHBondContact O-N 3Å; S465-S468 PolarHBondContact O-N 3.47Å; S465-M469 PolarHBondContact O-N 2.84Å; S465-M469 VanDerWaalsContact O-N 3.15Å
466	V	93.6	Very high	92.4	Very high	1 Å²	1	52 Å²	52	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-27.5	176.1	179.2	0	0	0	0	110.9	L456 I459 E460 G464 M469 R470	L456-V466 HydrophobicContact CD1-CB 3.88Å; L456-V466 HydrophobicContact CD1-CG1 3.78Å; L456-V466 HydrophobicContact CD1-CG2 4.09Å; I459-V466 HydrophobicContact CB-CG2 3.82Å; I459-V466 HydrophobicContact CG2-CG2 3.73Å; E460-V466 HydrophobicContact CB-CG2 4.22Å; E460-V466 PolarHBondContact OE2-N 2.85Å; G464-V466 PolarHBondContact O-N 3.36Å; G464-V466 VanDerWaalsContact O-N 3.12Å; V466-M469 WeakPolarHBondContact O-CB 3.46Å; V466-M469 PolarHBondContact O-N 2.8Å; V466-R470 HydrophobicContact CG1-CG 4.32Å; V466-R470 WeakPolarHBondContact O-CG 3.41Å; V466-R470 PolarHBondContact O-N 3.38Å
467	K	91.5	Very high	92.2	Very high	148 Å²	148	52.4 Å²	52.4	64%	0.643	28%	0.281	S	S	*	.	H	α-helix	trans	-60.8	-53.4	173.4	-171.1	-177.3	177.2	-174.7	0	110.9	S465 M469 R470 D471	S465-K467 PolarHBondContact O-N 3Å; K467-M469 PolarHBondContact O-N 3.27Å; K467-R470 PolarHBondContact O-N 2.64Å; K467-R470 VanDerWaalsContact O-N 3.09Å; K467-D471 VanDerWaalsContact O-CG 3.29Å; K467-D471 PolarHBondContact O-N 2.83Å
468	S	91.6	Very high	92.1	Very high	80 Å²	80	53.8 Å²	53.8	56%	0.559	29%	0.287	S	S	*	.	H	α-helix	trans	-60.4	-33.6	176.4	-54.5	0	0	0	0	112.6	S465 K472	S465-S468 PolarHBondContact O-N 3.47Å; S468-K472 PolarHBondContact O-N 2.89Å; S468-K472 VanDerWaalsContact O-N 3.08Å
469	M	91.8	Very high	92	Very high	36 Å²	36	54 Å²	54	18%	0.177	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-45.8	173.1	-172.1	-173.4	-67.5	0	0	111.9	L426 I459 C463 S465 V466 K467 K472 Y473	L426-M469 HydrophobicContact CD2-CG 4.24Å; I459-M469 HydrophobicContact CG2-CE 3.95Å; C463-M469 HydrophobicContact CB-CE 4.28Å; S465-M469 PolarHBondContact O-N 2.84Å; S465-M469 VanDerWaalsContact O-N 3.15Å; V466-M469 WeakPolarHBondContact O-CB 3.46Å; V466-M469 PolarHBondContact O-N 2.8Å; K467-M469 PolarHBondContact O-N 3.27Å; M469-K472 PolarHBondContact O-N 3.09Å; M469-Y473 HydrophobicContact CG-CD2 4.41Å; M469-Y473 WeakPolarHBondContact O-CD2 3.46Å; M469-Y473 PolarHBondContact O-N 2.8Å
470	R	93.3	Very high	91.6	Very high	52 Å²	52	57.1 Å²	57.1	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-68.3	-33.7	177.4	-71	175.2	-177.1	170.9	5.8	112.5	G425 L426 N428 A430 V466 K467 K472 Y473	G425-R470 PolarHBondContact O-NE 2.98Å; G425-R470 PolarHBondContact O-NH2 2.88Å; G425-R470 VanDerWaalsContact O-NH2 3.15Å; L426-R470 HydrophobicContact CD2-CG 4.04Å; N428-R470 PolarHBondContact O-NH2 3.18Å; N428-R470 VanDerWaalsContact O-NH2 3.17Å; N428-R470 PolarHBondContact OD1-NH2 3.41Å; A430-R470 PolarHBondContact O-NH1 3.11Å; A430-R470 PolarHBondContact O-NH2 2.97Å; V466-R470 HydrophobicContact CG1-CG 4.32Å; V466-R470 WeakPolarHBondContact O-CG 3.41Å; V466-R470 PolarHBondContact O-N 3.38Å; K467-R470 PolarHBondContact O-N 2.64Å; K467-R470 VanDerWaalsContact O-N 3.09Å; R470-K472 VanDerWaalsContact C-N 3.35Å; R470-Y473 CarbonylContact O-C 3.28Å; R470-Y473 VanDerWaalsContact O-C 3.29Å; R470-Y473 PolarHBondContact O-N 2.72Å; R470-Y473 VanDerWaalsContact O-O 3.1Å
471	D	90.6	Very high	91.3	Very high	111 Å²	111	61.1 Å²	61.1	59%	0.594	33%	0.325	S	S	*	.	H	α-helix	trans	-68	-34	174.4	-67.3	-25	0	0	0	111.6	K467	K467-D471 VanDerWaalsContact O-CG 3.29Å; K467-D471 PolarHBondContact O-N 2.83Å
472	K	90.2	Very high	90.5	Very high	92 Å²	92	62 Å²	62	40%	0.4	33%	0.33	S	S	.	.	H	α-helix	trans	-69.9	-35.6	173.7	-171.4	-176.4	178	-174.5	0	113	S468 M469 R470 M495 E496	S468-K472 PolarHBondContact O-N 2.89Å; S468-K472 VanDerWaalsContact O-N 3.08Å; M469-K472 PolarHBondContact O-N 3.09Å; R470-K472 VanDerWaalsContact C-N 3.35Å; K472-M495 WeakPolarHBondContact O-CG 3.32Å; K472-E496 WeakPolarHBondContact CE-OE1 3.46Å; K472-E496 IonicContact NZ-OE1 2.69Å; K472-E496 PolarHBondContact NZ-OE1 2.97Å
473	Y	91.5	Very high	89.7	Confident	13 Å²	13	65.3 Å²	65.3	5%	0.051	35%	0.353	C	S	.	.	S	Bend	trans	-113.7	79	-177.6	-68.4	-77.9	0	0	0	110.5	R422 L426 M469 R470 K475 H492 T494	R422-Y473 HydrophobicContact CG-CE2 4.3Å; R422-Y473 PolarHBondContact NH1-OH 2.92Å; R422-Y473 VanDerWaalsContact NH1-OH 3.13Å; L426-Y473 HydrophobicContact CD1-CD1 4.42Å; L426-Y473 HydrophobicContact CD1-CD2 4.01Å; L426-Y473 HydrophobicContact CD1-CG 3.79Å; L426-Y473 HydrophobicContact CD2-CD2 4.3Å; L426-Y473 HydrophobicContact CD2-CG 4.39Å; M469-Y473 HydrophobicContact CG-CD2 4.41Å; M469-Y473 WeakPolarHBondContact O-CD2 3.46Å; M469-Y473 PolarHBondContact O-N 2.8Å; R470-Y473 CarbonylContact O-C 3.28Å; R470-Y473 VanDerWaalsContact O-C 3.29Å; R470-Y473 PolarHBondContact O-N 2.72Å; R470-Y473 VanDerWaalsContact O-O 3.1Å; Y473-K475 PolarHBondContact O-N 2.75Å; Y473-H492 PolarHBondContact O-ND1 3.23Å; Y473-T494 HydrophobicContact CD1-CG2 4.27Å; Y473-T494 HydrophobicContact CE1-CG2 4.15Å
474	K	91.4	Very high	89.2	Confident	127 Å²	127	68.3 Å²	68.3	55%	0.552	37%	0.37	S	S	*	.			trans	-61.9	118.8	-173.6	-173.5	-176.9	177.1	-169.8	0	111.1	V476 H492 E493	K474-V476 PolarHBondContact O-N 3.06Å; K474-H492 CarbonylContact O-C 3.56Å; K474-H492 VanDerWaalsContact O-CA 3.31Å; K474-H492 WeakPolarHBondContact O-CA 3.18Å; K474-E493 PolarHBondContact O-N 3.24Å
475	K	94.1	Very high	88.8	Confident	76 Å²	76	69.5 Å²	69.5	33%	0.33	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	126.9	175.8	-176.4	179.5	-79.4	-175.6	0	110.1	Y473 E478	Y473-K475 PolarHBondContact O-N 2.75Å; K475-E478 HydrophobicContact CD-CB 4.06Å; K475-E478 WeakPolarHBondContact CD-OE2 3.22Å; K475-E478 IonicContact NZ-OE1 3.25Å; K475-E478 PolarHBondContact NZ-OE1 3.19Å; K475-E478 VanDerWaalsContact NZ-OE1 3.14Å; K475-E478 IonicContact NZ-OE2 3.81Å; K475-E478 PolarHBondContact NZ-OE2 3.09Å
476	V	92.7	Very high	88.6	Confident	61 Å²	61	71 Å²	71	37%	0.37	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-26.9	178.2	-65.1	0	0	0	0	113.3	K474 V491 E493 Y502 F570	K474-V476 PolarHBondContact O-N 3.06Å; V476-V491 HydrophobicContact CG2-CB 3.99Å; V476-V491 HydrophobicContact CG2-CG1 3.8Å; V476-V491 WeakPolarHBondContact CG2-O 3.35Å; V476-V491 PolarHBondContact N-O 2.91Å; V476-E493 HydrophobicContact CG1-CB 4.14Å; V476-Y502 HydrophobicContact CG1-CE1 4.31Å; V476-Y502 HydrophobicContact CG2-CD1 4.07Å; V476-Y502 HydrophobicContact CG2-CE1 3.98Å; V476-F570 HydrophobicContact CG2-CD2 3.88Å; V476-F570 HydrophobicContact CG2-CE2 3.95Å
477	A	92.2	Very high	88.6	Confident	11 Å²	11	71.4 Å²	71.4	9%	0.091	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	154.5	172.3	0	0	0	0	0	110.9	S490 V491 F570 T572	A477-S490 CarbonylContact O-C 3.46Å; A477-S490 VanDerWaalsContact O-CA 3.29Å; A477-S490 WeakPolarHBondContact O-CA 3.49Å; A477-S490 WeakPolarHBondContact O-CB 3.47Å; A477-V491 HydrophobicContact CB-CB 4.3Å; A477-V491 HydrophobicContact CB-CG2 4.46Å; A477-V491 PolarHBondContact N-O 2.84Å; A477-V491 PolarHBondContact O-N 3.17Å; A477-F570 HydrophobicContact CB-CB 3.72Å; A477-F570 HydrophobicContact CB-CG 4.35Å; A477-T572 HydrophobicContact CB-CG2 4.13Å
478	E	93	Very high	88.8	Confident	49 Å²	49	64.6 Å²	64.6	23%	0.229	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	131.7	175.9	172.3	165.9	-143.4	0	0	110.8	R429 K475 Q488 L489	R429-E478 WeakPolarHBondContact CD-OE1 3.4Å; R429-E478 VanDerWaalsContact CG-OE1 3.25Å; R429-E478 WeakPolarHBondContact CG-OE1 3.42Å; K475-E478 HydrophobicContact CD-CB 4.06Å; K475-E478 WeakPolarHBondContact CD-OE2 3.22Å; K475-E478 IonicContact NZ-OE1 3.25Å; K475-E478 PolarHBondContact NZ-OE1 3.19Å; K475-E478 VanDerWaalsContact NZ-OE1 3.14Å; K475-E478 IonicContact NZ-OE2 3.81Å; K475-E478 PolarHBondContact NZ-OE2 3.09Å; E478-Q488 PolarHBondContact OE1-NE2 3.31Å; E478-Q488 VanDerWaalsContact OE1-NE2 3.11Å; E478-L489 CarbonylContact C-O 3.57Å; E478-L489 WeakPolarHBondContact CA-O 3.48Å
479	I	91.5	Very high	88.9	Confident	17 Å²	17	60.9 Å²	60.9	9%	0.087	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	108.9	164.1	-57.8	-164.9	0	0	0	106.6	L489 T572 V575 F577	I479-L489 HydrophobicContact CB-CB 4.45Å; I479-L489 HydrophobicContact CB-CD2 4.01Å; I479-L489 HydrophobicContact CB-CG 4.17Å; I479-L489 HydrophobicContact CD1-CD2 3.69Å; I479-L489 HydrophobicContact CG1-CD2 3.85Å; I479-L489 HydrophobicContact CG1-CG 4.25Å; I479-L489 PolarHBondContact N-O 3.01Å; I479-L489 PolarHBondContact O-N 2.96Å; I479-T572 HydrophobicContact CG1-CG2 4.02Å; I479-V575 HydrophobicContact CD1-CG2 3.99Å; I479-F577 HydrophobicContact CD1-CZ 4.23Å
480	P	87.7	Confident	89	Confident	66 Å²	66	59.1 Å²	59.1	43%	0.429	31%	0.305	S	S	.	.			trans	-66.9	159.3	-179.2	29.4	-35.3	0	0	0	111	N482	P480-N482 PolarHBondContact O-N 2.69Å
481	F	86.4	Confident	89.1	Confident	113 Å²	113	56.7 Å²	56.7	50%	0.496	30%	0.295	S	S	.	.			trans	-57.2	127.8	177.1	-175.4	-91.8	0	0	0	111.6	Q488	F481-Q488 HydrophobicContact CB-CB 4.15Å
482	N	76.4	Confident	89.3	Confident	77 Å²	77	51.5 Å²	51.5	41%	0.412	27%	0.268	S	S	.	.			trans	-128.5	136.2	175.1	-175.3	-14.4	0	0	0	109.7	P480 T484 N485 K486	P480-N482 PolarHBondContact O-N 2.69Å; N482-T484 PolarHBondContact O-N 2.86Å; N482-T484 PolarHBondContact OD1-N 2.8Å; N482-N485 HydrophobicContact CB-CB 4.45Å; N482-N485 PolarHBondContact O-N 2.72Å; N482-N485 VanDerWaalsContact O-N 3.09Å; N482-K486 PolarHBondContact O-N 3.46Å
483	S	72.8	Confident	89.3	Confident	96 Å²	96	49.2 Å²	49.2	67%	0.671	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31	179.9	-53.1	0	0	0	0	114.1	K486	S483-K486 WeakPolarHBondContact O-CG 3.23Å
484	T	77	Confident	88.8	Confident	119 Å²	119	48.7 Å²	48.7	73%	0.73	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-43.1	176.4	-49.6	0	0	0	0	111.8	N482	N482-T484 PolarHBondContact O-N 2.86Å; N482-T484 PolarHBondContact OD1-N 2.8Å
485	N	83	Confident	87.9	Confident	61 Å²	61	48 Å²	48	33%	0.326	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-31.2	-174.7	-67.7	3.7	0	0	0	112.2	N482 Y487	N482-N485 HydrophobicContact CB-CB 4.45Å; N482-N485 PolarHBondContact O-N 2.72Å; N482-N485 VanDerWaalsContact O-N 3.09Å; N485-Y487 HydrophobicContact CB-CD1 4.03Å; N485-Y487 HydrophobicContact CB-CE1 3.73Å; N485-Y487 WeakPolarHBondContact O-CD1 3.42Å; N485-Y487 PolarHBondContact O-N 2.93Å
486	K	89.5	Confident	86.7	Confident	84 Å²	84	47.9 Å²	47.9	37%	0.365	26%	0.257	S	S	.	.			trans	59.1	16.5	-176.8	-59.4	-170.6	174.4	-164.7	0	116.1	N482 S483 G508 A509 R512	N482-K486 PolarHBondContact O-N 3.46Å; S483-K486 WeakPolarHBondContact O-CG 3.23Å; K486-G508 WeakPolarHBondContact O-CA 3.28Å; K486-A509 HydrophobicContact CB-CB 4.3Å; K486-A509 HydrophobicContact CD-CB 4.49Å; K486-A509 PolarHBondContact O-N 2.97Å; K486-A509 VanDerWaalsContact O-N 3.1Å; K486-R512 HydrophobicContact CB-CG 4.11Å; K486-R512 HydrophobicContact CD-CG 4.16Å
487	Y	92.9	Very high	85	Confident	10 Å²	10	54.3 Å²	54.3	4%	0.039	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	161.4	170.8	64.4	-96.9	0	0	0	111.3	N485 L489 M506 K507	N485-Y487 HydrophobicContact CB-CD1 4.03Å; N485-Y487 HydrophobicContact CB-CE1 3.73Å; N485-Y487 WeakPolarHBondContact O-CD1 3.42Å; N485-Y487 PolarHBondContact O-N 2.93Å; Y487-L489 HydrophobicContact CD2-CB 4.14Å; Y487-L489 HydrophobicContact CE2-CB 4.27Å; Y487-L489 HydrophobicContact CE2-CD2 4.09Å; Y487-M506 HydrophobicContact CD2-CE 3.96Å; Y487-M506 HydrophobicContact CD2-CG 4.04Å; Y487-M506 HydrophobicContact CD2-SD 3.86Å; Y487-M506 HydrophobicContact CE2-CE 4.02Å; Y487-M506 HydrophobicContact CE2-SD 4.46Å; Y487-M506 HydrophobicContact CG-CG 4.28Å; Y487-M506 HydrophobicContact CG-SD 3.9Å; Y487-K507 CarbonylContact C-O 3.51Å; Y487-K507 VanDerWaalsContact CA-O 3.27Å; Y487-K507 WeakPolarHBondContact CA-O 3.41Å; Y487-K507 WeakPolarHBondContact CB-O 3.33Å
488	Q	94.4	Very high	83.4	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.028	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.3	166.1	179.5	-179.9	-2.6	0	0	107.8	C427 E452 E478 F481 M506 K507	C427-Q488 PolarHBondContact SG-O 3.46Å; C427-Q488 VanDerWaalsContact SG-O 3.4Å; E452-Q488 PolarHBondContact OE1-NE2 3.28Å; E452-Q488 PolarHBondContact OE1-OE1 3.04Å; E452-Q488 VanDerWaalsContact OE1-OE1 3.13Å; E478-Q488 PolarHBondContact OE1-NE2 3.31Å; E478-Q488 VanDerWaalsContact OE1-NE2 3.11Å; F481-Q488 HydrophobicContact CB-CB 4.15Å; Q488-M506 VanDerWaalsContact O-CA 3.32Å; Q488-M506 WeakPolarHBondContact O-CA 3.43Å; Q488-M506 VanDerWaalsContact O-CG 3.32Å; Q488-M506 WeakPolarHBondContact O-CG 3.42Å; Q488-K507 HydrophobicContact CB-CG 4.33Å; Q488-K507 PolarHBondContact N-O 3.02Å; Q488-K507 PolarHBondContact O-N 3.4Å
489	L	94.6	Very high	82.2	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	140.6	-172.4	130	79.5	0	0	0	109.2	E478 I479 Y487 V491 L504 V505 M506 F577 I579	E478-L489 CarbonylContact C-O 3.57Å; E478-L489 WeakPolarHBondContact CA-O 3.48Å; I479-L489 HydrophobicContact CB-CB 4.45Å; I479-L489 HydrophobicContact CB-CD2 4.01Å; I479-L489 HydrophobicContact CB-CG 4.17Å; I479-L489 HydrophobicContact CD1-CD2 3.69Å; I479-L489 HydrophobicContact CG1-CD2 3.85Å; I479-L489 HydrophobicContact CG1-CG 4.25Å; I479-L489 PolarHBondContact N-O 3.01Å; I479-L489 PolarHBondContact O-N 2.96Å; Y487-L489 HydrophobicContact CD2-CB 4.14Å; Y487-L489 HydrophobicContact CE2-CB 4.27Å; Y487-L489 HydrophobicContact CE2-CD2 4.09Å; L489-V491 HydrophobicContact CD1-CG2 4.31Å; L489-L504 HydrophobicContact CD1-CD1 3.64Å; L489-L504 HydrophobicContact CD1-CD2 3.99Å; L489-L504 HydrophobicContact CD1-CG 3.57Å; L489-V505 WeakPolarHBondContact CA-O 3.32Å; L489-M506 HydrophobicContact CB-CB 4.31Å; L489-M506 HydrophobicContact CB-CE 4.11Å; L489-M506 HydrophobicContact CB-CG 4.14Å; L489-M506 HydrophobicContact CD2-CE 4.24Å; L489-F577 HydrophobicContact CD1-CE2 3.89Å; L489-F577 HydrophobicContact CD1-CZ 4.39Å; L489-F577 HydrophobicContact CD2-CE2 3.75Å; L489-F577 HydrophobicContact CD2-CZ 3.92Å; L489-F577 HydrophobicContact CG-CE2 4.36Å; L489-I579 HydrophobicContact CD2-CG2 4.2Å
490	S	94.9	Very high	81.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151	167.6	53.7	0	0	0	0	112.3	A477 H492 V505	A477-S490 CarbonylContact O-C 3.46Å; A477-S490 VanDerWaalsContact O-CA 3.29Å; A477-S490 WeakPolarHBondContact O-CA 3.49Å; A477-S490 WeakPolarHBondContact O-CB 3.47Å; S490-H492 WeakPolarHBondContact CB-NE2 3.46Å; S490-H492 PolarHBondContact OG-NE2 2.89Å; S490-V505 PolarHBondContact N-O 2.91Å; S490-V505 VanDerWaalsContact O-CG2 3.28Å; S490-V505 WeakPolarHBondContact O-CG2 3.32Å; S490-V505 PolarHBondContact O-N 2.95Å; S490-V505 WeakPolarHBondContact OG-CG2 3.12Å
491	V	94.6	Very high	81.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.9	177.1	-174.5	0	0	0	0	108.3	V476 A477 L489 Y502 L503 L504 M559 F570 F577	V476-V491 HydrophobicContact CG2-CB 3.99Å; V476-V491 HydrophobicContact CG2-CG1 3.8Å; V476-V491 WeakPolarHBondContact CG2-O 3.35Å; V476-V491 PolarHBondContact N-O 2.91Å; A477-V491 HydrophobicContact CB-CB 4.3Å; A477-V491 HydrophobicContact CB-CG2 4.46Å; A477-V491 PolarHBondContact N-O 2.84Å; A477-V491 PolarHBondContact O-N 3.17Å; L489-V491 HydrophobicContact CD1-CG2 4.31Å; V491-Y502 HydrophobicContact CG1-CD1 4.28Å; V491-Y502 HydrophobicContact CG1-CG 4.44Å; V491-L503 WeakPolarHBondContact CA-O 3.27Å; V491-L504 HydrophobicContact CG2-CD1 4.41Å; V491-L504 HydrophobicContact CG2-CG 4.46Å; V491-M559 HydrophobicContact CB-CE 4.4Å; V491-M559 HydrophobicContact CG1-CE 3.76Å; V491-M559 HydrophobicContact CG1-SD 4.36Å; V491-M559 HydrophobicContact CG2-CE 3.67Å; V491-F570 HydrophobicContact CG1-CD2 4.32Å; V491-F570 HydrophobicContact CG1-CE1 4.23Å; V491-F570 HydrophobicContact CG1-CE2 3.89Å; V491-F570 HydrophobicContact CG1-CZ 3.84Å; V491-F577 HydrophobicContact CG2-CE2 4.37Å
492	H	93.9	Very high	81.3	Confident	3 Å²	3	53.8 Å²	53.8	1%	0.014	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137	-174.5	-63	-107.7	0	0	0	111	Y473 K474 S490 Y502 L503	Y473-H492 PolarHBondContact O-ND1 3.23Å; K474-H492 CarbonylContact O-C 3.56Å; K474-H492 VanDerWaalsContact O-CA 3.31Å; K474-H492 WeakPolarHBondContact O-CA 3.18Å; S490-H492 WeakPolarHBondContact CB-NE2 3.46Å; S490-H492 PolarHBondContact OG-NE2 2.89Å; H492-Y502 WeakPolarHBondContact O-CA 3.42Å; H492-L503 PolarHBondContact N-O 3.14Å; H492-L503 PolarHBondContact O-N 2.83Å
493	E	90.3	Very high	82.1	Confident	44 Å²	44	50.1 Å²	50.1	21%	0.206	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	137.5	171.7	-174.3	173.9	-161.2	0	0	110.5	K474 V476 P501 Y502	K474-E493 PolarHBondContact O-N 3.24Å; V476-E493 HydrophobicContact CG1-CB 4.14Å; E493-P501 WeakPolarHBondContact CA-O 3.38Å; E493-Y502 HydrophobicContact CB-CD1 4.33Å; E493-Y502 HydrophobicContact CB-CE1 4.07Å; E493-Y502 HydrophobicContact CG-CE1 4.29Å
494	T	82.5	Confident	83.2	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.233	C	C	.	.			trans	-99.6	138.3	176.4	68.2	0	0	0	0	111.4	Y473 S500 P501 L503	Y473-T494 HydrophobicContact CD1-CG2 4.27Å; Y473-T494 HydrophobicContact CE1-CG2 4.15Å; T494-S500 WeakPolarHBondContact CG2-O 3.39Å; T494-S500 PolarHBondContact OG1-O 2.78Å; T494-P501 PolarHBondContact N-O 3.16Å; T494-P501 WeakPolarHBondContact OG1-CA 3.49Å; T494-P501 PolarHBondContact OG1-O 3.16Å; T494-L503 HydrophobicContact CG2-CB 4.08Å
495	M	70.7	Confident	84.1	Confident	114 Å²	114	39.9 Å²	39.9	56%	0.562	20%	0.199	S	C	*	.			trans	-93.4	6.5	177.8	-66.8	-73.9	174.8	0	0	113	K472	K472-M495 WeakPolarHBondContact O-CG 3.32Å
496	E	69.6	Low	84.8	Confident	72 Å²	72	37 Å²	37	34%	0.336	18%	0.183	S	C	.	.			trans	-101	118.5	-174.7	-71.4	173.4	-173.7	0	0	110.6	K472 N498 V499	K472-E496 WeakPolarHBondContact CE-OE1 3.46Å; K472-E496 IonicContact NZ-OE1 2.69Å; K472-E496 PolarHBondContact NZ-OE1 2.97Å; E496-N498 PolarHBondContact O-N 3.29Å; E496-N498 VanDerWaalsContact O-N 3.17Å; E496-V499 HydrophobicContact CB-CB 4.16Å; E496-V499 HydrophobicContact CB-CG2 3.9Å; E496-V499 PolarHBondContact O-N 2.94Å
497	E	56.4	Low	85.1	Confident	196 Å²	196	33.6 Å²	33.6	92%	0.916	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.6	-171.1	-63.7	-174.5	148.6	0	0	114.9
498	N	60.4	Low	85.2	Confident	170 Å²	170	33.2 Å²	33.2	91%	0.909	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	7.3	-179.6	-73.6	-26.8	0	0	0	113.9	E496	E496-N498 PolarHBondContact O-N 3.29Å; E496-N498 VanDerWaalsContact O-N 3.17Å
499	V	67.4	Low	85.1	Confident	43 Å²	43	34 Å²	34	26%	0.261	18%	0.175	S	C	.	.	S	Bend	trans	-116.5	153.1	-178.8	-177.5	0	0	0	0	109.2	E496 F558	E496-V499 HydrophobicContact CB-CB 4.16Å; E496-V499 HydrophobicContact CB-CG2 3.9Å; E496-V499 PolarHBondContact O-N 2.94Å; V499-F558 HydrophobicContact CG1-CD1 3.72Å; V499-F558 HydrophobicContact CG1-CE1 3.58Å
500	S	74.9	Confident	85.1	Confident	21 Å²	21	34.1 Å²	34.1	15%	0.147	18%	0.176	C	C	.	.			trans	-44.1	137.5	169.2	157.9	0	0	0	0	111.3	T494 Y502 M559	T494-S500 WeakPolarHBondContact CG2-O 3.39Å; T494-S500 PolarHBondContact OG1-O 2.78Å; S500-Y502 PolarHBondContact O-N 3.16Å; S500-Y502 VanDerWaalsContact O-N 3.16Å; S500-Y502 PolarHBondContact OG-N 3.45Å; S500-Y502 PolarHBondContact OG-O 2.97Å; S500-Y502 VanDerWaalsContact OG-O 3.05Å; S500-M559 WeakPolarHBondContact CB-O 3.34Å; S500-M559 PolarHBondContact OG-N 3.12Å; S500-M559 PolarHBondContact OG-O 2.58Å
501	P	80.2	Confident	84.9	Confident	3 Å²	3	37 Å²	37	2%	0.019	19%	0.189	C	C	.	.	S	Bend	trans	-64.3	-20.8	-176	27.8	-36.9	0	0	0	114	E493 T494 Q561 Y564 K566	E493-P501 WeakPolarHBondContact CA-O 3.38Å; T494-P501 PolarHBondContact N-O 3.16Å; T494-P501 WeakPolarHBondContact OG1-CA 3.49Å; T494-P501 PolarHBondContact OG1-O 3.16Å; P501-Q561 HydrophobicContact CG-CB 4.25Å; P501-Q561 HydrophobicContact CG-CG 4.14Å; P501-Y564 WeakPolarHBondContact CG-O 3.44Å; P501-K566 HydrophobicContact CB-CD 4.33Å; P501-K566 HydrophobicContact CB-CG 3.53Å
502	Y	91	Very high	84.9	Confident	8 Å²	8	42.5 Å²	42.5	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.8	-177.6	-65.6	-64.7	0	0	0	112.1	V476 V491 H492 E493 S500 M559 P565 G567 F568 F570	V476-Y502 HydrophobicContact CG1-CE1 4.31Å; V476-Y502 HydrophobicContact CG2-CD1 4.07Å; V476-Y502 HydrophobicContact CG2-CE1 3.98Å; V491-Y502 HydrophobicContact CG1-CD1 4.28Å; V491-Y502 HydrophobicContact CG1-CG 4.44Å; H492-Y502 WeakPolarHBondContact O-CA 3.42Å; E493-Y502 HydrophobicContact CB-CD1 4.33Å; E493-Y502 HydrophobicContact CB-CE1 4.07Å; E493-Y502 HydrophobicContact CG-CE1 4.29Å; S500-Y502 PolarHBondContact O-N 3.16Å; S500-Y502 VanDerWaalsContact O-N 3.16Å; S500-Y502 PolarHBondContact OG-N 3.45Å; S500-Y502 PolarHBondContact OG-O 2.97Å; S500-Y502 VanDerWaalsContact OG-O 3.05Å; Y502-M559 WeakPolarHBondContact O-CB 3.43Å; Y502-M559 PolarHBondContact O-N 2.95Å; Y502-P565 WeakPolarHBondContact CE2-O 3.31Å; Y502-G567 PolarHBondContact OH-N 3.42Å; Y502-F568 HydrophobicContact CE2-CB 4.23Å; Y502-F570 AromaticContact CD1-CE2 3.9Å; Y502-F570 HydrophobicContact CD1-CE2 3.9Å; Y502-F570 HydrophobicContact CD1-CZ 4.26Å; Y502-F570 AromaticContact CD2-CE2 3.99Å; Y502-F570 HydrophobicContact CD2-CE2 3.99Å; Y502-F570 AromaticContact CD2-CZ 3.79Å; Y502-F570 HydrophobicContact CD2-CZ 3.79Å; Y502-F570 AromaticContact CE1-CE2 3.92Å; Y502-F570 HydrophobicContact CE1-CE2 3.92Å; Y502-F570 AromaticContact CE2-CE2 3.99Å; Y502-F570 HydrophobicContact CE2-CE2 3.99Å; Y502-F570 HydrophobicContact CE2-CZ 4.16Å; Y502-F570 AromaticContact CG-CE2 3.95Å; Y502-F570 HydrophobicContact CG-CE2 3.95Å; Y502-F570 AromaticContact CG-CZ 3.85Å; Y502-F570 HydrophobicContact CG-CZ 3.85Å; Y502-F570 AromaticContact CZ-CE2 3.96Å
503	L	93.7	Very high	84.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.9	172	175.9	63.1	0	0	0	109.1	L426 V491 H492 T494 V505 H556 F558	L426-L503 HydrophobicContact CD1-CD2 4.36Å; V491-L503 WeakPolarHBondContact CA-O 3.27Å; H492-L503 PolarHBondContact N-O 3.14Å; H492-L503 PolarHBondContact O-N 2.83Å; T494-L503 HydrophobicContact CG2-CB 4.08Å; L503-V505 HydrophobicContact CD2-CG1 4.15Å; L503-V505 HydrophobicContact CG-CG1 4.05Å; L503-H556 HydrophobicContact CD1-CB 4.12Å; L503-F558 HydrophobicContact CD1-CD1 3.94Å; L503-F558 HydrophobicContact CD1-CE1 3.83Å; L503-F558 HydrophobicContact CD1-CE2 4.48Å; L503-F558 HydrophobicContact CD1-CG 4.33Å; L503-F558 HydrophobicContact CD1-CZ 4.11Å
504	L	95.1	Very high	85.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.6	165.5	-173.9	149.1	0	0	0	109.1	L489 V491 M506 H556 L557 M559 F577 Q578 L582	L489-L504 HydrophobicContact CD1-CD1 3.64Å; L489-L504 HydrophobicContact CD1-CD2 3.99Å; L489-L504 HydrophobicContact CD1-CG 3.57Å; V491-L504 HydrophobicContact CG2-CD1 4.41Å; V491-L504 HydrophobicContact CG2-CG 4.46Å; L504-M506 HydrophobicContact CD2-CB 4.32Å; L504-H556 CarbonylContact O-C 3.59Å; L504-H556 VanDerWaalsContact O-CA 3.22Å; L504-H556 WeakPolarHBondContact O-CA 3.41Å; L504-H556 WeakPolarHBondContact O-CB 3.29Å; L504-L557 HydrophobicContact CB-CB 4.32Å; L504-L557 PolarHBondContact N-O 2.95Å; L504-L557 PolarHBondContact O-N 2.95Å; L504-M559 HydrophobicContact CB-CE 3.84Å; L504-M559 HydrophobicContact CD1-CE 3.71Å; L504-M559 HydrophobicContact CG-CE 4.33Å; L504-F577 HydrophobicContact CD1-CD2 3.83Å; L504-F577 HydrophobicContact CD1-CE2 3.93Å; L504-Q578 WeakPolarHBondContact CD1-O 3.41Å; L504-L582 HydrophobicContact CD2-CD1 4.3Å; L504-L582 HydrophobicContact CD2-CD2 4.01Å
505	V	96.9	Very high	85.5	Confident	1 Å²	1	47 Å²	47	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.2	172.2	-72.7	0	0	0	0	109.8	V423 L426 C427 L489 S490 L503 H556	V423-V505 HydrophobicContact CB-CG1 4.37Å; V423-V505 HydrophobicContact CG1-CB 3.96Å; V423-V505 HydrophobicContact CG1-CG1 4.22Å; V423-V505 HydrophobicContact CG2-CG1 4.11Å; L426-V505 HydrophobicContact CB-CG2 4.18Å; C427-V505 HydrophobicContact CB-CB 4.09Å; C427-V505 HydrophobicContact CB-CG2 3.75Å; L489-V505 WeakPolarHBondContact CA-O 3.32Å; S490-V505 PolarHBondContact N-O 2.91Å; S490-V505 VanDerWaalsContact O-CG2 3.28Å; S490-V505 WeakPolarHBondContact O-CG2 3.32Å; S490-V505 PolarHBondContact O-N 2.95Å; S490-V505 WeakPolarHBondContact OG-CG2 3.12Å; L503-V505 HydrophobicContact CD2-CG1 4.15Å; L503-V505 HydrophobicContact CG-CG1 4.05Å; V505-H556 HydrophobicContact CG1-CB 4.28Å
506	M	96.6	Very high	86.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	142.8	179.8	-176	-171.2	-66.1	0	0	110.4	Y487 Q488 L489 L504 I513 C555 L582	Y487-M506 HydrophobicContact CD2-CE 3.96Å; Y487-M506 HydrophobicContact CD2-CG 4.04Å; Y487-M506 HydrophobicContact CD2-SD 3.86Å; Y487-M506 HydrophobicContact CE2-CE 4.02Å; Y487-M506 HydrophobicContact CE2-SD 4.46Å; Y487-M506 HydrophobicContact CG-CG 4.28Å; Y487-M506 HydrophobicContact CG-SD 3.9Å; Q488-M506 VanDerWaalsContact O-CA 3.32Å; Q488-M506 WeakPolarHBondContact O-CA 3.43Å; Q488-M506 VanDerWaalsContact O-CG 3.32Å; Q488-M506 WeakPolarHBondContact O-CG 3.42Å; L489-M506 HydrophobicContact CB-CB 4.31Å; L489-M506 HydrophobicContact CB-CE 4.11Å; L489-M506 HydrophobicContact CB-CG 4.14Å; L489-M506 HydrophobicContact CD2-CE 4.24Å; L504-M506 HydrophobicContact CD2-CB 4.32Å; M506-I513 HydrophobicContact CG-CD1 3.77Å; M506-I513 HydrophobicContact SD-CD1 3.75Å; M506-C555 PolarHBondContact N-O 2.87Å; M506-C555 PolarHBondContact O-N 2.96Å; M506-L582 HydrophobicContact CE-CD1 3.74Å; M506-L582 HydrophobicContact SD-CD1 3.92Å
507	K	96.5	Very high	87.8	Confident	13 Å²	13	41.9 Å²	41.9	6%	0.057	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.5	171.3	75.8	-178	-177.9	-158.6	0	110.4	C427 E452 L455 Y487 Q488 G553 F554	C427-K507 VanDerWaalsContact O-CD 3.29Å; C427-K507 WeakPolarHBondContact O-CD 3.3Å; C427-K507 VanDerWaalsContact O-CE 3.23Å; C427-K507 WeakPolarHBondContact O-CE 3.22Å; C427-K507 PolarHBondContact O-NZ 2.84Å; E452-K507 IonicContact OE1-NZ 2.68Å; E452-K507 PolarHBondContact OE1-NZ 3.08Å; L455-K507 HydrophobicContact CD1-CD 4.45Å; Y487-K507 CarbonylContact C-O 3.51Å; Y487-K507 VanDerWaalsContact CA-O 3.27Å; Y487-K507 WeakPolarHBondContact CA-O 3.41Å; Y487-K507 WeakPolarHBondContact CB-O 3.33Å; Q488-K507 HydrophobicContact CB-CG 4.33Å; Q488-K507 PolarHBondContact N-O 3.02Å; Q488-K507 PolarHBondContact O-N 3.4Å; K507-G553 CarbonylContact C-O 3.54Å; K507-G553 WeakPolarHBondContact CA-O 3.33Å; K507-F554 HydrophobicContact CB-CD1 3.67Å; K507-F554 HydrophobicContact CB-CE1 3.67Å; K507-F554 HydrophobicContact CB-CG 4.41Å; K507-F554 HydrophobicContact CB-CZ 4.39Å; K507-F554 HydrophobicContact CD-CE1 4.03Å; K507-F554 HydrophobicContact CG-CE1 4.45Å
508	G	94.5	Very high	89.6	Confident	2 Å²	2	34.8 Å²	34.8	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	-165.3	-180	0	0	0	0	0	114.1	K486 G553	K486-G508 WeakPolarHBondContact O-CA 3.28Å; G508-G553 PolarHBondContact N-O 3.14Å; G508-G553 PolarHBondContact O-N 3.12Å
509	A	93.1	Very high	91.3	Very high	21 Å²	21	28.1 Å²	28.1	17%	0.174	15%	0.147	C	C	.	.			trans	-59	131.2	172	0	0	0	0	0	109.9	K486 E511 R512 I513	K486-A509 HydrophobicContact CB-CB 4.3Å; K486-A509 HydrophobicContact CD-CB 4.49Å; K486-A509 PolarHBondContact O-N 2.97Å; K486-A509 VanDerWaalsContact O-N 3.1Å; A509-E511 VanDerWaalsContact C-N 3.3Å; A509-E511 WeakPolarHBondContact CB-OE2 3.46Å; A509-E511 PolarHBondContact O-N 2.75Å; A509-R512 HydrophobicContact CB-CB 4.32Å; A509-R512 HydrophobicContact CB-CG 4.19Å; A509-R512 PolarHBondContact O-N 2.97Å; A509-I513 PolarHBondContact O-N 3.2Å; A509-I513 VanDerWaalsContact O-N 3.08Å
510	P	93.6	Very high	92.6	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.032	14%	0.136	C	C	.	.	H	α-helix	trans	-51	-45.3	-170.7	-30.8	37.2	0	0	0	114	R512 I513 L514 F537 Y541 V551 L587	P510-R512 VanDerWaalsContact C-N 3.32Å; P510-R512 PolarHBondContact O-N 3.17Å; P510-I513 PolarHBondContact O-N 2.83Å; P510-L514 PolarHBondContact O-N 3.05Å; P510-F537 HydrophobicContact CB-CZ 3.86Å; P510-Y541 HydrophobicContact CB-CD2 4.01Å; P510-Y541 HydrophobicContact CB-CE2 4.1Å; P510-Y541 HydrophobicContact CB-CG 4.47Å; P510-Y541 HydrophobicContact CG-CD2 3.94Å; P510-Y541 HydrophobicContact CG-CE2 3.78Å; P510-V551 WeakPolarHBondContact CD-O 3.34Å; P510-V551 HydrophobicContact CG-CB 3.96Å; P510-V551 HydrophobicContact CG-CG1 3.92Å; P510-V551 WeakPolarHBondContact CG-O 3.26Å; P510-L587 HydrophobicContact CB-CD2 3.91Å; P510-L587 HydrophobicContact CG-CD2 4.19Å
511	E	91.8	Very high	93.5	Very high	60 Å²	60	26 Å²	26	28%	0.28	13%	0.132	S	C	.	.	H	α-helix	trans	-63.1	-38.2	179.7	77	-70.3	176.9	0	0	112.2	A509 L514 D515	A509-E511 VanDerWaalsContact C-N 3.3Å; A509-E511 WeakPolarHBondContact CB-OE2 3.46Å; A509-E511 PolarHBondContact O-N 2.75Å; E511-L514 PolarHBondContact O-N 2.68Å; E511-D515 VanDerWaalsContact O-CG 3.24Å; E511-D515 PolarHBondContact O-N 3.24Å
512	R	93.4	Very high	94.1	Very high	116 Å²	116	27.2 Å²	27.2	44%	0.438	14%	0.138	S	C	.	.	H	α-helix	trans	-76.6	-23.5	-179.2	-63.6	-55.8	-170.5	165.3	3.4	114	K486 A509 P510 D515	K486-R512 HydrophobicContact CB-CG 4.11Å; K486-R512 HydrophobicContact CD-CG 4.16Å; A509-R512 HydrophobicContact CB-CB 4.32Å; A509-R512 HydrophobicContact CB-CG 4.19Å; A509-R512 PolarHBondContact O-N 2.97Å; P510-R512 VanDerWaalsContact C-N 3.32Å; P510-R512 PolarHBondContact O-N 3.17Å; R512-D515 IonicContact NH1-OD2 3.04Å
513	I	94.6	Very high	93.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-80.5	-41	172.2	-62.7	-60.1	0	0	0	109.9	M506 A509 P510 D515 R516 C517 C555 F584	M506-I513 HydrophobicContact CG-CD1 3.77Å; M506-I513 HydrophobicContact SD-CD1 3.75Å; A509-I513 PolarHBondContact O-N 3.2Å; A509-I513 VanDerWaalsContact O-N 3.08Å; P510-I513 PolarHBondContact O-N 2.83Å; I513-D515 PolarHBondContact O-N 3.44Å; I513-R516 PolarHBondContact O-N 3.01Å; I513-C517 PolarHBondContact O-N 2.91Å; I513-C517 PolarHBondContact O-SG 3.03Å; I513-C555 HydrophobicContact CG2-CB 3.92Å; I513-F584 HydrophobicContact CG2-CD2 3.93Å; I513-F584 HydrophobicContact CG2-CE2 3.86Å
514	L	93.2	Very high	93.5	Very high	26 Å²	26	35.3 Å²	35.3	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-46.6	175.4	-166.8	76.8	0	0	0	111.8	P510 E511 R516 C517 M529 F537	P510-L514 PolarHBondContact O-N 3.05Å; E511-L514 PolarHBondContact O-N 2.68Å; L514-R516 PolarHBondContact O-N 3.33Å; L514-C517 PolarHBondContact O-N 3.14Å; L514-M529 HydrophobicContact CD1-CE 3.73Å; L514-M529 HydrophobicContact CD1-SD 4.25Å; L514-F537 HydrophobicContact CB-CE1 4.2Å; L514-F537 HydrophobicContact CB-CZ 4.03Å; L514-F537 HydrophobicContact CD1-CD1 4.05Å; L514-F537 HydrophobicContact CD1-CD2 3.96Å; L514-F537 HydrophobicContact CD1-CE1 4.18Å; L514-F537 HydrophobicContact CD1-CE2 4.03Å; L514-F537 HydrophobicContact CD1-CG 3.96Å; L514-F537 HydrophobicContact CD1-CZ 4.15Å; L514-F537 HydrophobicContact CD2-CD1 3.76Å; L514-F537 HydrophobicContact CD2-CE1 3.74Å; L514-F537 HydrophobicContact CD2-CG 4.47Å; L514-F537 HydrophobicContact CD2-CZ 4.37Å; L514-F537 HydrophobicContact CG-CD1 4.42Å; L514-F537 HydrophobicContact CG-CE1 4.26Å; L514-F537 HydrophobicContact CG-CZ 4.42Å
515	D	92.8	Very high	93.3	Very high	115 Å²	115	42.6 Å²	42.6	62%	0.615	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-24.1	177.2	-75.8	-17.2	0	0	0	114.1	E511 R512 I513	E511-D515 VanDerWaalsContact O-CG 3.24Å; E511-D515 PolarHBondContact O-N 3.24Å; R512-D515 IonicContact NH1-OD2 3.04Å; I513-D515 PolarHBondContact O-N 3.44Å
516	R	93.6	Very high	93.1	Very high	62 Å²	62	47.6 Å²	47.6	23%	0.234	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-4.5	-176.3	-63.5	-173.1	178.2	-82.4	2.7	114.1	I513 L514 D580 N581 L582	I513-R516 PolarHBondContact O-N 3.01Å; L514-R516 PolarHBondContact O-N 3.33Å; R516-D580 IonicContact CZ-OD1 2.65Å; R516-D580 IonicContact NH1-OD1 4Å; R516-D580 PolarHBondContact NH1-OD1 3.09Å; R516-D580 IonicContact NH1-OD2 2.64Å; R516-N581 PolarHBondContact O-N 2.95Å; R516-L582 HydrophobicContact CB-CD1 4.47Å; R516-L582 PolarHBondContact O-N 3.41Å
517	C	95	Very high	92.9	Very high	17 Å²	17	51.8 Å²	51.8	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.7	-177.3	-64.2	0	0	0	0	112	I513 L514 M529 C555 L582 F584	I513-C517 PolarHBondContact O-N 2.91Å; I513-C517 PolarHBondContact O-SG 3.03Å; L514-C517 PolarHBondContact O-N 3.14Å; C517-M529 HydrophobicContact CB-CE 4.01Å; C517-C555 VanDerWaalsContact SG-CB 3.52Å; C517-L582 CarbonylContact C-O 3.54Å; C517-L582 VanDerWaalsContact CA-O 3.24Å; C517-L582 WeakPolarHBondContact CA-O 3.3Å; C517-F584 HydrophobicContact CB-CB 3.88Å
518	S	94.1	Very high	92.8	Very high	47 Å²	47	55.7 Å²	55.7	33%	0.329	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-24.3	175.9	56.4	0	0	0	0	113.1	M529 N581 L582	S518-M529 PolarHBondContact O-N 2.88Å; S518-N581 VanDerWaalsContact OG-CA 3.24Å; S518-N581 WeakPolarHBondContact OG-CA 3.13Å; S518-N581 WeakPolarHBondContact OG-CB 2.98Å; S518-L582 PolarHBondContact N-O 3.42Å
519	T	95.5	Very high	92.5	Very high	31 Å²	31	56.5 Å²	56.5	19%	0.19	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	163.4	174.8	50.6	0	0	0	0	110.3	E526 Q527 L582 C583 F584	T519-E526 PolarHBondContact OG1-OE2 3.32Å; T519-Q527 CarbonylContact C-O 3.12Å; T519-Q527 WeakPolarHBondContact CA-O 3.42Å; T519-Q527 VanDerWaalsContact CB-O 3.23Å; T519-Q527 WeakPolarHBondContact CB-O 3.17Å; T519-L582 PolarHBondContact N-O 2.91Å; T519-C583 WeakPolarHBondContact O-CA 3.28Å; T519-C583 WeakPolarHBondContact OG1-CA 3.37Å; T519-C583 WeakPolarHBondContact OG1-CB 3.24Å; T519-F584 PolarHBondContact O-N 2.91Å
520	I	95.2	Very high	92.4	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.3	171.9	-176.3	158.6	0	0	0	109	W391 I522 E526 Q527 M529 M533 F584	W391-I520 HydrophobicContact CH2-CD1 4.03Å; W391-I520 HydrophobicContact CZ3-CD1 4.03Å; I520-I522 HydrophobicContact CG2-CD1 4.36Å; I520-I522 HydrophobicContact CG2-CG1 4.43Å; I520-E526 WeakPolarHBondContact O-CA 3.44Å; I520-Q527 PolarHBondContact N-O 3.37Å; I520-Q527 PolarHBondContact O-N 3.28Å; I520-M529 HydrophobicContact CB-CE 4.13Å; I520-M529 HydrophobicContact CB-SD 4.04Å; I520-M529 HydrophobicContact CD1-CE 4.45Å; I520-M529 HydrophobicContact CD1-SD 4.15Å; I520-M529 HydrophobicContact CG2-SD 4.21Å; I520-M533 HydrophobicContact CD1-CE 3.73Å; I520-M533 HydrophobicContact CG2-CE 4.44Å; I520-F584 WeakPolarHBondContact CA-O 3.35Å; I520-F584 HydrophobicContact CB-CB 4.29Å; I520-F584 HydrophobicContact CD1-CD1 3.71Å; I520-F584 HydrophobicContact CD1-CE1 4.48Å; I520-F584 HydrophobicContact CG1-CB 4.28Å; I520-F584 HydrophobicContact CG1-CD1 4.09Å
521	I	93.9	Very high	92.2	Very high	13 Å²	13	64.5 Å²	64.5	7%	0.067	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.2	175.1	-161.1	177.3	0	0	0	110.5	T416 K525 F584 V585	T416-I521 HydrophobicContact CG2-CG2 3.77Å; I521-K525 WeakPolarHBondContact CA-O 3.38Å; I521-F584 PolarHBondContact N-O 3.06Å; I521-V585 HydrophobicContact CG2-CB 4.36Å; I521-V585 HydrophobicContact CG2-CG1 4.08Å; I521-V585 HydrophobicContact CG2-CG2 4.4Å
522	I	91.3	Very high	92.2	Very high	28 Å²	28	69.1 Å²	69.1	14%	0.144	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.3	176.7	-55.9	177.3	0	0	0	108	D393 I520 G524 K525 M533	D393-I522 WeakPolarHBondContact OD1-CA 3.41Å; I520-I522 HydrophobicContact CG2-CD1 4.36Å; I520-I522 HydrophobicContact CG2-CG1 4.43Å; I522-G524 PolarHBondContact O-N 3.33Å; I522-G524 VanDerWaalsContact O-N 3.16Å; I522-K525 PolarHBondContact N-O 3.44Å; I522-K525 PolarHBondContact O-N 3.34Å; I522-M533 HydrophobicContact CD1-CE 3.76Å; I522-M533 HydrophobicContact CD1-SD 4.11Å; I522-M533 HydrophobicContact CG1-CE 4.43Å
523	Q	88.1	Confident	91.9	Very high	149 Å²	149	64.6 Å²	64.6	70%	0.696	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	38.8	-176.3	-61.4	178.4	-7.5	0	0	112.8	D393 T416	D393-Q523 PolarHBondContact OD1-N 2.8Å; T416-Q523 PolarHBondContact OG1-N 3.25Å
524	G	85.6	Confident	91.7	Very high	30 Å²	30	68.3 Å²	68.3	31%	0.309	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	8	-177.8	0	0	0	0	0	116.5	T416 I522	T416-G524 PolarHBondContact OG1-N 3.4Å; I522-G524 PolarHBondContact O-N 3.33Å; I522-G524 VanDerWaalsContact O-N 3.16Å
525	K	91	Very high	91.7	Very high	153 Å²	153	73.2 Å²	73.2	67%	0.665	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.8	173.9	-66.6	179	-178.5	173	0	111.2	I521 I522	I521-K525 WeakPolarHBondContact CA-O 3.38Å; I522-K525 PolarHBondContact N-O 3.44Å; I522-K525 PolarHBondContact O-N 3.34Å
526	E	91.9	Very high	91.6	Very high	105 Å²	105	68.7 Å²	68.7	49%	0.491	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.7	171.6	-62.5	-170.1	-144.8	0	0	111.2	T519 I520	T519-E526 PolarHBondContact OG1-OE2 3.32Å; I520-E526 WeakPolarHBondContact O-CA 3.44Å
527	Q	92.6	Very high	91.6	Very high	89 Å²	89	65.8 Å²	65.8	42%	0.416	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152	175	-58.6	-169.7	37.2	0	0	109	T519 I520	T519-Q527 CarbonylContact C-O 3.12Å; T519-Q527 WeakPolarHBondContact CA-O 3.42Å; T519-Q527 VanDerWaalsContact CB-O 3.23Å; T519-Q527 WeakPolarHBondContact CB-O 3.17Å; I520-Q527 PolarHBondContact N-O 3.37Å; I520-Q527 PolarHBondContact O-N 3.28Å
528	P	93.1	Very high	91.5	Very high	95 Å²	95	68.6 Å²	68.6	62%	0.617	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	144.7	173.6	28.6	-34.9	0	0	0	110.9	D530	P528-D530 PolarHBondContact O-N 3.43Å; P528-D530 VanDerWaalsContact O-N 3.07Å
529	M	89.8	Confident	91.5	Very high	19 Å²	19	70.6 Å²	70.6	9%	0.094	36%	0.359	C	S	.	.			trans	-79	89	176.4	-171.1	89.3	77.6	0	0	110.3	L514 C517 S518 I520 M533 K534 F584	L514-M529 HydrophobicContact CD1-CE 3.73Å; L514-M529 HydrophobicContact CD1-SD 4.25Å; C517-M529 HydrophobicContact CB-CE 4.01Å; S518-M529 PolarHBondContact O-N 2.88Å; I520-M529 HydrophobicContact CB-CE 4.13Å; I520-M529 HydrophobicContact CB-SD 4.04Å; I520-M529 HydrophobicContact CD1-CE 4.45Å; I520-M529 HydrophobicContact CD1-SD 4.15Å; I520-M529 HydrophobicContact CG2-SD 4.21Å; M529-M533 HydrophobicContact SD-CB 4.41Å; M529-K534 HydrophobicContact CG-CG 3.91Å; M529-K534 WeakPolarHBondContact O-CE 3.48Å; M529-F584 HydrophobicContact CE-CB 3.48Å; M529-F584 VanDerWaalsContact CE-CB 3.48Å; M529-F584 HydrophobicContact CE-CD2 4.46Å; M529-F584 HydrophobicContact CE-CG 3.93Å
530	D	90.4	Very high	91.4	Very high	77 Å²	77	69.3 Å²	69.3	41%	0.412	35%	0.352	S	S	.	.			trans	-77.9	171.2	174.1	56	11.6	0	0	0	112.7	P528 E532 M533 K534	P528-D530 PolarHBondContact O-N 3.43Å; P528-D530 VanDerWaalsContact O-N 3.07Å; D530-E532 VanDerWaalsContact C-N 3.33Å; D530-E532 PolarHBondContact O-N 3.15Å; D530-M533 PolarHBondContact O-N 3.11Å; D530-M533 VanDerWaalsContact OD1-CB 3.26Å; D530-M533 WeakPolarHBondContact OD1-CB 3.37Å; D530-M533 WeakPolarHBondContact OD1-CG 3.26Å; D530-M533 PolarHBondContact OD1-N 3.25Å; D530-K534 WeakPolarHBondContact O-CG 3.49Å; D530-K534 PolarHBondContact O-N 3.41Å
531	D	89.6	Confident	91.3	Very high	117 Å²	117	72.5 Å²	72.5	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-73.2	-26.1	-172.9	-63.5	-33.6	0	0	0	112.6	K534 E535	D531-K534 PolarHBondContact O-N 3.26Å; D531-K534 IonicContact OD1-NZ 3.33Å; D531-K534 PolarHBondContact OD1-NZ 3.15Å; D531-E535 PolarHBondContact O-N 2.87Å
532	E	90.9	Very high	91.1	Very high	157 Å²	157	77.2 Å²	77.2	73%	0.734	39%	0.389	S	S	*	.	H	α-helix	trans	-64.4	-45.7	172.4	-173.1	174.2	170.3	0	0	111.2	D530 K534 E535 A536	D530-E532 VanDerWaalsContact C-N 3.33Å; D530-E532 PolarHBondContact O-N 3.15Å; E532-K534 VanDerWaalsContact C-N 3.33Å; E532-K534 PolarHBondContact O-N 3.24Å; E532-E535 PolarHBondContact O-N 3.15Å; E532-A536 PolarHBondContact O-N 3.14Å
533	M	88.5	Confident	91.1	Very high	20 Å²	20	81.5 Å²	81.5	10%	0.099	41%	0.408	C	S	.	.	H	α-helix	trans	-68.1	-29.7	175.5	-70.9	-64.2	-60.5	0	0	113	W391 N394 I520 I522 M529 D530 F537	W391-M533 HydrophobicContact CH2-CE 4.15Å; W391-M533 HydrophobicContact CZ2-CE 4.44Å; N394-M533 HydrophobicContact CB-CE 4.22Å; N394-M533 HydrophobicContact CB-SD 4.5Å; I520-M533 HydrophobicContact CD1-CE 3.73Å; I520-M533 HydrophobicContact CG2-CE 4.44Å; I522-M533 HydrophobicContact CD1-CE 3.76Å; I522-M533 HydrophobicContact CD1-SD 4.11Å; I522-M533 HydrophobicContact CG1-CE 4.43Å; M529-M533 HydrophobicContact SD-CB 4.41Å; D530-M533 PolarHBondContact O-N 3.11Å; D530-M533 VanDerWaalsContact OD1-CB 3.26Å; D530-M533 WeakPolarHBondContact OD1-CB 3.37Å; D530-M533 WeakPolarHBondContact OD1-CG 3.26Å; D530-M533 PolarHBondContact OD1-N 3.25Å; M533-F537 VanDerWaalsContact O-CB 3.29Å; M533-F537 WeakPolarHBondContact O-CB 3.3Å; M533-F537 PolarHBondContact O-N 3.21Å
534	K	89.8	Confident	91.3	Very high	78 Å²	78	74.4 Å²	74.4	34%	0.339	38%	0.375	S	S	.	.	H	α-helix	trans	-68.9	-38.5	172.2	-68.3	171.5	-156.5	155.8	0	112.3	M529 D530 D531 E532 Q538	M529-K534 HydrophobicContact CG-CG 3.91Å; M529-K534 WeakPolarHBondContact O-CE 3.48Å; D530-K534 WeakPolarHBondContact O-CG 3.49Å; D530-K534 PolarHBondContact O-N 3.41Å; D531-K534 PolarHBondContact O-N 3.26Å; D531-K534 IonicContact OD1-NZ 3.33Å; D531-K534 PolarHBondContact OD1-NZ 3.15Å; E532-K534 VanDerWaalsContact C-N 3.33Å; E532-K534 PolarHBondContact O-N 3.24Å; K534-Q538 WeakPolarHBondContact O-CG 3.39Å; K534-Q538 PolarHBondContact O-N 3.04Å
535	E	92	Very high	91.4	Very high	129 Å²	129	74.4 Å²	74.4	60%	0.603	38%	0.375	S	S	*	.	H	α-helix	trans	-66.9	-44.6	174.8	-171.6	172.6	-178.3	0	0	110.7	D531 E532 F537 Q538 N539	D531-E535 PolarHBondContact O-N 2.87Å; E532-E535 PolarHBondContact O-N 3.15Å; E535-F537 VanDerWaalsContact C-N 3.35Å; E535-F537 PolarHBondContact O-N 3.4Å; E535-Q538 PolarHBondContact O-N 2.9Å; E535-Q538 VanDerWaalsContact O-N 3.16Å; E535-N539 PolarHBondContact O-N 3.3Å; E535-N539 PolarHBondContact O-ND2 3.24Å
536	A	92.6	Very high	91.1	Very high	21 Å²	21	69.7 Å²	69.7	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-59.4	-42.8	174	0	0	0	0	0	112.7	W391 N394 E532 N539 A540	W391-A536 HydrophobicContact CZ2-CB 4.43Å; N394-A536 WeakPolarHBondContact OD1-CB 3.25Å; E532-A536 PolarHBondContact O-N 3.14Å; A536-N539 PolarHBondContact O-N 3.49Å; A536-A540 PolarHBondContact O-N 3.32Å
537	F	93.7	Very high	90.9	Very high	1 Å²	1	68.2 Å²	68.2	0%	0.004	37%	0.365	C	S	.	.	H	α-helix	trans	-59	-45.7	172.2	169.4	-81.5	0	0	0	112.3	W391 P510 L514 M533 E535 A540 Y541 F584 L587	W391-F537 HydrophobicContact CE3-CD2 4.43Å; W391-F537 HydrophobicContact CH2-CB 3.91Å; W391-F537 HydrophobicContact CH2-CD2 4.42Å; W391-F537 HydrophobicContact CZ2-CB 4.49Å; W391-F537 HydrophobicContact CZ3-CB 4.24Å; W391-F537 AromaticContact CZ3-CD2 3.9Å; W391-F537 HydrophobicContact CZ3-CD2 3.9Å; P510-F537 HydrophobicContact CB-CZ 3.86Å; L514-F537 HydrophobicContact CB-CE1 4.2Å; L514-F537 HydrophobicContact CB-CZ 4.03Å; L514-F537 HydrophobicContact CD1-CD1 4.05Å; L514-F537 HydrophobicContact CD1-CD2 3.96Å; L514-F537 HydrophobicContact CD1-CE1 4.18Å; L514-F537 HydrophobicContact CD1-CE2 4.03Å; L514-F537 HydrophobicContact CD1-CG 3.96Å; L514-F537 HydrophobicContact CD1-CZ 4.15Å; L514-F537 HydrophobicContact CD2-CD1 3.76Å; L514-F537 HydrophobicContact CD2-CE1 3.74Å; L514-F537 HydrophobicContact CD2-CG 4.47Å; L514-F537 HydrophobicContact CD2-CZ 4.37Å; L514-F537 HydrophobicContact CG-CD1 4.42Å; L514-F537 HydrophobicContact CG-CE1 4.26Å; L514-F537 HydrophobicContact CG-CZ 4.42Å; M533-F537 VanDerWaalsContact O-CB 3.29Å; M533-F537 WeakPolarHBondContact O-CB 3.3Å; M533-F537 PolarHBondContact O-N 3.21Å; E535-F537 VanDerWaalsContact C-N 3.35Å; E535-F537 PolarHBondContact O-N 3.4Å; F537-A540 PolarHBondContact O-N 3.44Å; F537-Y541 WeakPolarHBondContact O-CB 3.37Å; F537-Y541 PolarHBondContact O-N 3.06Å; F537-F584 HydrophobicContact CD2-CE1 4.25Å; F537-F584 HydrophobicContact CD2-CE2 4.42Å; F537-F584 AromaticContact CD2-CZ 3.93Å; F537-F584 HydrophobicContact CD2-CZ 3.93Å; F537-F584 HydrophobicContact CE2-CE1 4.28Å; F537-F584 AromaticContact CE2-CE2 3.77Å; F537-F584 HydrophobicContact CE2-CE2 3.77Å; F537-F584 AromaticContact CE2-CZ 3.52Å; F537-F584 HydrophobicContact CE2-CZ 3.52Å; F537-L587 HydrophobicContact CD2-CD1 4.28Å; F537-L587 HydrophobicContact CD2-CD2 4.48Å; F537-L587 HydrophobicContact CD2-CG 4.46Å; F537-L587 HydrophobicContact CE2-CD1 4.16Å; F537-L587 HydrophobicContact CE2-CD2 3.64Å; F537-L587 HydrophobicContact CE2-CG 4.08Å; F537-L587 HydrophobicContact CZ-CD2 4.08Å
538	Q	92.6	Very high	90.6	Very high	75 Å²	75	64.6 Å²	64.6	35%	0.35	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-40.7	-179.8	-78.3	-66.8	-14.2	0	0	111.6	K534 E535 Y541 L542	K534-Q538 WeakPolarHBondContact O-CG 3.39Å; K534-Q538 PolarHBondContact O-N 3.04Å; E535-Q538 PolarHBondContact O-N 2.9Å; E535-Q538 VanDerWaalsContact O-N 3.16Å; Q538-Y541 PolarHBondContact O-N 2.81Å; Q538-L542 WeakPolarHBondContact O-CB 3.4Å; Q538-L542 VanDerWaalsContact O-CG 3.3Å; Q538-L542 WeakPolarHBondContact O-CG 3.29Å; Q538-L542 PolarHBondContact O-N 2.8Å
539	N	93.3	Very high	90.5	Very high	89 Å²	89	61.1 Å²	61.1	48%	0.476	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-49	175.2	-69.7	-29.6	0	0	0	111.1	E535 A536 Y541 L542 E543	E535-N539 PolarHBondContact O-N 3.3Å; E535-N539 PolarHBondContact O-ND2 3.24Å; A536-N539 PolarHBondContact O-N 3.49Å; N539-Y541 PolarHBondContact O-N 2.59Å; N539-L542 PolarHBondContact O-N 2.86Å; N539-E543 WeakPolarHBondContact O-CB 3.49Å; N539-E543 PolarHBondContact O-N 3.48Å
540	A	94.1	Very high	90.5	Very high	5 Å²	5	65.3 Å²	65.3	4%	0.041	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-39.4	176.1	0	0	0	0	0	112.7	W391 I396 A536 F537 E543 L544	W391-A540 HydrophobicContact CD2-CB 4.25Å; W391-A540 HydrophobicContact CG-CB 3.89Å; I396-A540 HydrophobicContact CD1-CB 4.45Å; A536-A540 PolarHBondContact O-N 3.32Å; F537-A540 PolarHBondContact O-N 3.44Å; A540-E543 PolarHBondContact O-N 3.32Å; A540-L544 WeakPolarHBondContact O-CB 3.27Å; A540-L544 VanDerWaalsContact O-CG 3.24Å; A540-L544 WeakPolarHBondContact O-CG 3.24Å; A540-L544 PolarHBondContact O-N 2.8Å
541	Y	92.8	Very high	90.7	Very high	72 Å²	72	62.2 Å²	62.2	28%	0.282	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-44.3	176.4	171.4	-126.8	0	0	0	112.4	P510 F537 Q538 N539 G545 V551	P510-Y541 HydrophobicContact CB-CD2 4.01Å; P510-Y541 HydrophobicContact CB-CE2 4.1Å; P510-Y541 HydrophobicContact CB-CG 4.47Å; P510-Y541 HydrophobicContact CG-CD2 3.94Å; P510-Y541 HydrophobicContact CG-CE2 3.78Å; F537-Y541 WeakPolarHBondContact O-CB 3.37Å; F537-Y541 PolarHBondContact O-N 3.06Å; Q538-Y541 PolarHBondContact O-N 2.81Å; N539-Y541 PolarHBondContact O-N 2.59Å; Y541-G545 PolarHBondContact O-N 3.45Å; Y541-V551 HydrophobicContact CD2-CB 4.04Å; Y541-V551 HydrophobicContact CD2-CG1 4.21Å; Y541-V551 HydrophobicContact CD2-CG2 4.12Å; Y541-V551 HydrophobicContact CE2-CB 4.18Å; Y541-V551 HydrophobicContact CE2-CG2 4.36Å
542	L	90.1	Very high	91	Very high	113 Å²	113	57.8 Å²	57.8	59%	0.592	30%	0.302	S	S	*	.	H	α-helix	trans	-68.7	-36.2	177.3	-70.3	172.8	0	0	0	112.4	Q538 N539 G546	Q538-L542 WeakPolarHBondContact O-CB 3.4Å; Q538-L542 VanDerWaalsContact O-CG 3.3Å; Q538-L542 WeakPolarHBondContact O-CG 3.29Å; Q538-L542 PolarHBondContact O-N 2.8Å; N539-L542 PolarHBondContact O-N 2.86Å; L542-G546 PolarHBondContact O-N 2.86Å
543	E	91.6	Very high	91.3	Very high	117 Å²	117	50.3 Å²	50.3	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-53.1	175.3	-176.3	172	-173.7	0	0	111.3	I396 N539 A540 G545 G546 L547	I396-E543 HydrophobicContact CD1-CG 4.35Å; I396-E543 WeakPolarHBondContact CD1-OE2 3.45Å; N539-E543 WeakPolarHBondContact O-CB 3.49Å; N539-E543 PolarHBondContact O-N 3.48Å; A540-E543 PolarHBondContact O-N 3.32Å; E543-G545 VanDerWaalsContact C-N 3.34Å; E543-G545 PolarHBondContact O-N 3.13Å; E543-G546 WeakPolarHBondContact O-CA 3.24Å; E543-G546 PolarHBondContact O-N 3.14Å; E543-L547 PolarHBondContact O-N 2.89Å
544	L	92.3	Very high	91.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-37.2	178.2	-63.9	177.4	0	0	0	112.3	H389 I396 A540 G546 L547 E549 V551	H389-L544 HydrophobicContact CB-CD2 3.54Å; I396-L544 HydrophobicContact CD1-CD2 4.43Å; I396-L544 HydrophobicContact CG2-CD2 4.25Å; A540-L544 WeakPolarHBondContact O-CB 3.27Å; A540-L544 VanDerWaalsContact O-CG 3.24Å; A540-L544 WeakPolarHBondContact O-CG 3.24Å; A540-L544 PolarHBondContact O-N 2.8Å; L544-G546 VanDerWaalsContact C-N 3.34Å; L544-L547 HydrophobicContact CD2-CD1 4.33Å; L544-L547 PolarHBondContact O-N 3.11Å; L544-E549 WeakPolarHBondContact O-CB 3.19Å; L544-E549 PolarHBondContact O-N 3.14Å; L544-V551 HydrophobicContact CB-CG2 3.64Å; L544-V551 HydrophobicContact CD1-CG1 4.41Å
545	G	86.8	Confident	92.1	Very high	30 Å²	30	45.6 Å²	45.6	31%	0.309	25%	0.246	S	C	.	.	H	α-helix	trans	-66.1	-34.5	171.2	0	0	0	0	0	113.2	Y541 E543 L547 G548	Y541-G545 PolarHBondContact O-N 3.45Å; E543-G545 VanDerWaalsContact C-N 3.34Å; E543-G545 PolarHBondContact O-N 3.13Å; G545-L547 VanDerWaalsContact C-N 3.31Å; G545-L547 PolarHBondContact O-N 3.03Å; G545-G548 PolarHBondContact O-N 3.47Å
546	G	84.9	Confident	92.3	Very high	54 Å²	54	39.6 Å²	39.6	56%	0.557	22%	0.218	S	C	*	.	H	α-helix	trans	-68.2	-26.9	174.9	0	0	0	0	0	113.8	L542 E543 L544 G548	L542-G546 PolarHBondContact O-N 2.86Å; E543-G546 WeakPolarHBondContact O-CA 3.24Å; E543-G546 PolarHBondContact O-N 3.14Å; L544-G546 VanDerWaalsContact C-N 3.34Å; G546-G548 PolarHBondContact O-N 3.11Å
547	L	87.6	Confident	92.4	Very high	75 Å²	75	39.9 Å²	39.9	39%	0.393	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	3.3	168	-64.8	174.8	0	0	0	113.2	E543 L544 G545 E549 A625	E543-L547 PolarHBondContact O-N 2.89Å; L544-L547 HydrophobicContact CD2-CD1 4.33Å; L544-L547 PolarHBondContact O-N 3.11Å; G545-L547 VanDerWaalsContact C-N 3.31Å; G545-L547 PolarHBondContact O-N 3.03Å; L547-E549 HydrophobicContact CB-CG 3.84Å; L547-E549 PolarHBondContact O-N 3.18Å; L547-A625 WeakPolarHBondContact O-CB 3.38Å
548	G	85.9	Confident	92.2	Very high	13 Å²	13	43 Å²	43	13%	0.134	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	17.8	-179.3	0	0	0	0	0	113.7	G545 G546	G545-G548 PolarHBondContact O-N 3.47Å; G546-G548 PolarHBondContact O-N 3.11Å
549	E	91.3	Very high	92	Very high	21 Å²	21	39.5 Å²	39.5	10%	0.098	21%	0.214	C	C	.	.			trans	-92.5	147.1	-177.1	-49	-171.9	152.9	0	0	111.7	A388 H389 L544 L547 V551 S589 I591	A388-E549 WeakPolarHBondContact CB-OE1 3.48Å; H389-E549 IonicContact CE1-OE1 3.68Å; H389-E549 PolarHBondContact CE1-OE1 2.85Å; H389-E549 IonicContact CE1-OE2 2.73Å; H389-E549 IonicContact CG-OE2 2.69Å; H389-E549 VanDerWaalsContact ND1-CD 3.25Å; H389-E549 IonicContact ND1-OE1 3.17Å; H389-E549 PolarHBondContact ND1-OE1 2.6Å; H389-E549 IonicContact ND1-OE2 3.87Å; H389-E549 PolarHBondContact ND1-OE2 3.06Å; L544-E549 WeakPolarHBondContact O-CB 3.19Å; L544-E549 PolarHBondContact O-N 3.14Å; L547-E549 HydrophobicContact CB-CG 3.84Å; L547-E549 PolarHBondContact O-N 3.18Å; E549-V551 PolarHBondContact O-N 3.39Å; E549-S589 WeakPolarHBondContact OE2-CB 3.33Å; E549-S589 PolarHBondContact OE2-OG 3.35Å; E549-I591 HydrophobicContact CG-CB 4.2Å; E549-I591 HydrophobicContact CG-CD1 4.12Å
550	R	90.2	Very high	91.8	Very high	107 Å²	107	37.8 Å²	37.8	40%	0.404	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	111.7	173.9	179.4	-179.4	-177.6	144.2	-1.5	109.8	E222 S451 S589 M590	E222-R550 IonicContact OE1-CZ 2.91Å; E222-R550 IonicContact OE1-NH1 2.89Å; E222-R550 PolarHBondContact OE1-NH1 2.71Å; S451-R550 PolarHBondContact OG-NE 3.09Å; R550-S589 CarbonylContact O-C 3.58Å; R550-S589 VanDerWaalsContact O-CA 3.3Å; R550-S589 WeakPolarHBondContact O-CA 3.44Å; R550-M590 HydrophobicContact CB-CG 4.09Å; R550-M590 PolarHBondContact N-O 3.07Å; R550-M590 WeakPolarHBondContact O-CG 3.31Å; R550-M590 PolarHBondContact O-N 3.42Å
551	V	94.4	Very high	91.2	Very high	13 Å²	13	43.5 Å²	43.5	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.6	-178.6	-163.2	0	0	0	0	111.7	P510 Y541 L544 E549 L587	P510-V551 WeakPolarHBondContact CD-O 3.34Å; P510-V551 HydrophobicContact CG-CB 3.96Å; P510-V551 HydrophobicContact CG-CG1 3.92Å; P510-V551 WeakPolarHBondContact CG-O 3.26Å; Y541-V551 HydrophobicContact CD2-CB 4.04Å; Y541-V551 HydrophobicContact CD2-CG1 4.21Å; Y541-V551 HydrophobicContact CD2-CG2 4.12Å; Y541-V551 HydrophobicContact CE2-CB 4.18Å; Y541-V551 HydrophobicContact CE2-CG2 4.36Å; L544-V551 HydrophobicContact CB-CG2 3.64Å; L544-V551 HydrophobicContact CD1-CG1 4.41Å; E549-V551 PolarHBondContact O-N 3.39Å; V551-L587 HydrophobicContact CG1-CB 3.96Å; V551-L587 HydrophobicContact CG1-CD1 4.15Å; V551-L587 HydrophobicContact CG1-CD2 3.87Å; V551-L587 HydrophobicContact CG1-CG 4.22Å
552	L	96.2	Very high	90.8	Very high	23 Å²	23	47.9 Å²	47.9	12%	0.12	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.5	171.5	-66.6	177.8	0	0	0	110.7	L455 F554 L587 M588 M590	L455-L552 HydrophobicContact CD1-CD1 4.29Å; L552-F554 HydrophobicContact CB-CE2 3.69Å; L552-F554 HydrophobicContact CB-CZ 4.02Å; L552-F554 HydrophobicContact CD1-CZ 4.4Å; L552-F554 WeakPolarHBondContact O-CD2 3.29Å; L552-F554 WeakPolarHBondContact O-CE2 3.48Å; L552-L587 WeakPolarHBondContact O-CA 3.37Å; L552-M588 PolarHBondContact N-O 3Å; L552-M588 PolarHBondContact O-N 3.47Å; L552-M590 HydrophobicContact CD1-CE 3.79Å; L552-M590 HydrophobicContact CG-CE 4.48Å
553	G	97	Very high	90.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.5	171.7	0	0	0	0	0	112.5	K507 G508	K507-G553 CarbonylContact C-O 3.54Å; K507-G553 WeakPolarHBondContact CA-O 3.33Å; G508-G553 PolarHBondContact N-O 3.14Å; G508-G553 PolarHBondContact O-N 3.12Å
554	F	97.7	Very high	90.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.1	-179.1	-64.6	-94.4	0	0	0	110.7	L420 V423 A424 L455 K507 L552 V585 G586 M588	L420-F554 HydrophobicContact CD1-CB 3.6Å; L420-F554 HydrophobicContact CD1-CD2 4.14Å; L420-F554 HydrophobicContact CD1-CG 3.94Å; V423-F554 HydrophobicContact CB-CB 4.38Å; V423-F554 HydrophobicContact CB-CD1 4.26Å; V423-F554 HydrophobicContact CG1-CB 4.05Å; V423-F554 HydrophobicContact CG1-CD1 3.83Å; V423-F554 HydrophobicContact CG1-CG 4.44Å; A424-F554 HydrophobicContact CB-CD1 4.43Å; A424-F554 HydrophobicContact CB-CE1 4.01Å; L455-F554 HydrophobicContact CD1-CE1 4.18Å; L455-F554 HydrophobicContact CD1-CZ 3.87Å; L455-F554 HydrophobicContact CD2-CE1 4.46Å; L455-F554 HydrophobicContact CD2-CZ 3.78Å; K507-F554 HydrophobicContact CB-CD1 3.67Å; K507-F554 HydrophobicContact CB-CE1 3.67Å; K507-F554 HydrophobicContact CB-CG 4.41Å; K507-F554 HydrophobicContact CB-CZ 4.39Å; K507-F554 HydrophobicContact CD-CE1 4.03Å; K507-F554 HydrophobicContact CG-CE1 4.45Å; L552-F554 HydrophobicContact CB-CE2 3.69Å; L552-F554 HydrophobicContact CB-CZ 4.02Å; L552-F554 HydrophobicContact CD1-CZ 4.4Å; L552-F554 WeakPolarHBondContact O-CD2 3.29Å; L552-F554 WeakPolarHBondContact O-CE2 3.48Å; F554-V585 PolarHBondContact O-N 3.36Å; F554-G586 PolarHBondContact N-O 3.42Å; F554-G586 PolarHBondContact O-N 3.39Å; F554-M588 HydrophobicContact CD2-CB 4.41Å; F554-M588 HydrophobicContact CD2-CG 4.06Å; F554-M588 HydrophobicContact CE2-CB 3.66Å; F554-M588 HydrophobicContact CE2-CG 3.63Å; F554-M588 HydrophobicContact CE2-SD 4.41Å; F554-M588 HydrophobicContact CZ-CB 4.33Å; F554-M588 HydrophobicContact CZ-CG 4.23Å; F554-M588 HydrophobicContact CZ-SD 4.44Å
555	C	97.2	Very high	90.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	163.1	176.4	66.1	0	0	0	0	111.7	M506 I513 C517 L582 C583	M506-C555 PolarHBondContact N-O 2.87Å; M506-C555 PolarHBondContact O-N 2.96Å; I513-C555 HydrophobicContact CG2-CB 3.92Å; C517-C555 VanDerWaalsContact SG-CB 3.52Å; C555-L582 HydrophobicContact CB-CB 4.37Å; C555-L582 VanDerWaalsContact SG-CD1 3.53Å; C555-C583 CarbonylContact C-O 3.5Å; C555-C583 VanDerWaalsContact CA-O 3.3Å; C555-C583 WeakPolarHBondContact CA-O 3.34Å; C555-C583 WeakPolarHBondContact CB-O 3.49Å
556	H	95.9	Very high	89.9	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	167.3	177	70.1	174	0	0	0	112.1	V423 L503 L504 V505 F558 C583 V585	V423-H556 HydrophobicContact CG2-CB 4.02Å; L503-H556 HydrophobicContact CD1-CB 4.12Å; L504-H556 CarbonylContact O-C 3.59Å; L504-H556 VanDerWaalsContact O-CA 3.22Å; L504-H556 WeakPolarHBondContact O-CA 3.41Å; L504-H556 WeakPolarHBondContact O-CB 3.29Å; V505-H556 HydrophobicContact CG1-CB 4.28Å; H556-F558 AromaticContact CE1-CE2 3.92Å; H556-C583 PolarHBondContact N-O 2.59Å; H556-C583 WeakPolarHBondContact O-CB 3.38Å; H556-C583 PolarHBondContact O-N 3.39Å; H556-V585 HydrophobicContact CB-CG2 4.36Å; H556-V585 WeakPolarHBondContact CD2-CG2 3.48Å
557	L	94.4	Very high	89.8	Confident	27 Å²	27	53.1 Å²	53.1	14%	0.141	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	127.3	169.1	-179.1	69	0	0	0	109.9	L504 M559 Q578 L582	L504-L557 HydrophobicContact CB-CB 4.32Å; L504-L557 PolarHBondContact N-O 2.95Å; L504-L557 PolarHBondContact O-N 2.95Å; L557-M559 PolarHBondContact O-N 2.94Å; L557-Q578 HydrophobicContact CD2-CB 4.44Å; L557-Q578 HydrophobicContact CD2-CG 4.2Å; L557-L582 HydrophobicContact CB-CD2 3.77Å; L557-L582 HydrophobicContact CD2-CD2 3.93Å; L557-L582 HydrophobicContact CG-CD2 4.42Å
558	F	90.8	Very high	89.8	Confident	66 Å²	66	52.4 Å²	52.4	29%	0.289	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	113.3	165.7	-69.3	-78.1	0	0	0	108.7	V499 L503 H556	V499-F558 HydrophobicContact CG1-CD1 3.72Å; V499-F558 HydrophobicContact CG1-CE1 3.58Å; L503-F558 HydrophobicContact CD1-CD1 3.94Å; L503-F558 HydrophobicContact CD1-CE1 3.83Å; L503-F558 HydrophobicContact CD1-CE2 4.48Å; L503-F558 HydrophobicContact CD1-CG 4.33Å; L503-F558 HydrophobicContact CD1-CZ 4.11Å; H556-F558 AromaticContact CE1-CE2 3.92Å
559	M	88.7	Confident	89.9	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.015	30%	0.302	C	S	.	.			trans	-71.5	134	-172.9	-68.3	-162.6	179.6	0	0	111.7	V491 S500 Y502 L504 L557 Q561 Y564 F570 F577	V491-M559 HydrophobicContact CB-CE 4.4Å; V491-M559 HydrophobicContact CG1-CE 3.76Å; V491-M559 HydrophobicContact CG1-SD 4.36Å; V491-M559 HydrophobicContact CG2-CE 3.67Å; S500-M559 WeakPolarHBondContact CB-O 3.34Å; S500-M559 PolarHBondContact OG-N 3.12Å; S500-M559 PolarHBondContact OG-O 2.58Å; Y502-M559 WeakPolarHBondContact O-CB 3.43Å; Y502-M559 PolarHBondContact O-N 2.95Å; L504-M559 HydrophobicContact CB-CE 3.84Å; L504-M559 HydrophobicContact CD1-CE 3.71Å; L504-M559 HydrophobicContact CG-CE 4.33Å; L557-M559 PolarHBondContact O-N 2.94Å; M559-Q561 PolarHBondContact O-N 2.88Å; M559-Y564 HydrophobicContact CB-CD2 3.72Å; M559-Y564 HydrophobicContact CB-CE2 4.35Å; M559-Y564 HydrophobicContact CB-CG 4.25Å; M559-Y564 HydrophobicContact CG-CD2 4.3Å; M559-Y564 HydrophobicContact SD-CD1 4.21Å; M559-Y564 HydrophobicContact SD-CD2 4.02Å; M559-Y564 HydrophobicContact SD-CE2 4.34Å; M559-Y564 HydrophobicContact SD-CG 3.92Å; M559-F570 HydrophobicContact CE-CD1 4.49Å; M559-F570 HydrophobicContact CE-CE1 3.71Å; M559-F570 HydrophobicContact CE-CZ 4.2Å; M559-F570 HydrophobicContact SD-CE1 3.54Å; M559-F570 VanDerWaalsContact SD-CE1 3.54Å; M559-F570 HydrophobicContact SD-CZ 3.68Å; M559-F577 HydrophobicContact CE-CB 4.23Å; M559-F577 HydrophobicContact CE-CD2 4.15Å; M559-F577 HydrophobicContact CE-CG 4.37Å
560	P	87.4	Confident	89.8	Confident	52 Å²	52	56.8 Å²	56.8	34%	0.338	30%	0.302	S	S	.	.			trans	-60.5	122.7	178.6	-25.7	34.8	0	0	0	112.3	D562 K563 Y564	P560-D562 PolarHBondContact O-N 3.42Å; P560-K563 HydrophobicContact CB-CB 4.49Å; P560-K563 HydrophobicContact CB-CG 4.48Å; P560-K563 PolarHBondContact O-N 3.19Å; P560-Y564 PolarHBondContact O-N 3.11Å
561	Q	82.8	Confident	89.7	Confident	125 Å²	125	54.9 Å²	54.9	58%	0.584	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.6	-177.9	-178.6	171.6	-6.1	0	0	112.7	P501 M559 K563 Y564	P501-Q561 HydrophobicContact CG-CB 4.25Å; P501-Q561 HydrophobicContact CG-CG 4.14Å; M559-Q561 PolarHBondContact O-N 2.88Å; Q561-K563 PolarHBondContact O-N 3.44Å; Q561-Y564 CarbonylContact O-C 3.53Å; Q561-Y564 PolarHBondContact O-N 3.35Å
562	D	84.8	Confident	89.3	Confident	164 Å²	164	56.6 Å²	56.6	88%	0.877	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.2	177	-53.4	-44.1	0	0	0	113.3	P560	P560-D562 PolarHBondContact O-N 3.42Å
563	K	84.9	Confident	88.6	Confident	134 Å²	134	62.5 Å²	62.5	58%	0.583	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-33.7	178.7	-67.6	-176.4	179.4	179.8	0	112.4	P560 Q561	P560-K563 HydrophobicContact CB-CB 4.49Å; P560-K563 HydrophobicContact CB-CG 4.48Å; P560-K563 PolarHBondContact O-N 3.19Å; Q561-K563 PolarHBondContact O-N 3.44Å
564	Y	87.4	Confident	88	Confident	23 Å²	23	69 Å²	69	9%	0.09	38%	0.377	C	S	.	.	S	Bend	trans	-129	76.8	-173	-51.5	-80.9	0	0	0	110.5	P501 M559 P560 Q561 F568 F570 F577 Q578	P501-Y564 WeakPolarHBondContact CG-O 3.44Å; M559-Y564 HydrophobicContact CB-CD2 3.72Å; M559-Y564 HydrophobicContact CB-CE2 4.35Å; M559-Y564 HydrophobicContact CB-CG 4.25Å; M559-Y564 HydrophobicContact CG-CD2 4.3Å; M559-Y564 HydrophobicContact SD-CD1 4.21Å; M559-Y564 HydrophobicContact SD-CD2 4.02Å; M559-Y564 HydrophobicContact SD-CE2 4.34Å; M559-Y564 HydrophobicContact SD-CG 3.92Å; P560-Y564 PolarHBondContact O-N 3.11Å; Q561-Y564 CarbonylContact O-C 3.53Å; Q561-Y564 PolarHBondContact O-N 3.35Å; Y564-F568 HydrophobicContact CD1-CD1 4.04Å; Y564-F568 HydrophobicContact CD1-CD2 4.36Å; Y564-F568 AromaticContact CD1-CE1 3.87Å; Y564-F568 HydrophobicContact CD1-CE1 3.87Å; Y564-F568 HydrophobicContact CD1-CE2 4.2Å; Y564-F568 HydrophobicContact CD1-CG 4.28Å; Y564-F568 AromaticContact CD1-CZ 3.96Å; Y564-F568 HydrophobicContact CD1-CZ 3.96Å; Y564-F568 HydrophobicContact CE1-CE1 4.23Å; Y564-F568 HydrophobicContact CE1-CZ 4.17Å; Y564-F570 HydrophobicContact CD1-CE1 4.03Å; Y564-F570 HydrophobicContact CD1-CZ 4.48Å; Y564-F570 HydrophobicContact CE1-CE1 4.49Å; Y564-F577 HydrophobicContact CE1-CB 3.87Å; Y564-Q578 PolarHBondContact OH-N 3Å; Y564-Q578 VanDerWaalsContact OH-N 3.15Å
565	P	85.8	Confident	87.4	Confident	72 Å²	72	71.9 Å²	71.9	47%	0.468	40%	0.395	S	S	.	.			trans	-70.5	156.2	179.5	30.2	-36.4	0	0	0	111.9	Y502 G567 F568	Y502-P565 WeakPolarHBondContact CE2-O 3.31Å; P565-G567 PolarHBondContact O-N 3.49Å; P565-F568 WeakPolarHBondContact O-CB 3.38Å; P565-F568 PolarHBondContact O-N 3.05Å
566	K	82.8	Confident	86.9	Confident	124 Å²	124	75 Å²	75	54%	0.539	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	125.1	176	-73.1	-165.4	173.7	-165	0	110.9	P501	P501-K566 HydrophobicContact CB-CD 4.33Å; P501-K566 HydrophobicContact CB-CG 3.53Å
567	G	82.6	Confident	86.6	Confident	71 Å²	71	75.5 Å²	75.5	73%	0.732	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.7	4.6	-173.2	0	0	0	0	0	114.9	Y502 P565 S569	Y502-G567 PolarHBondContact OH-N 3.42Å; P565-G567 PolarHBondContact O-N 3.49Å; G567-S569 PolarHBondContact O-N 3.14Å
568	F	87.7	Confident	86.2	Confident	60 Å²	60	76.9 Å²	76.9	26%	0.263	42%	0.419	S	S	.	.			trans	-59.5	132.3	173.2	-174.4	-90.4	0	0	0	111.6	Y502 Y564 P565 F570	Y502-F568 HydrophobicContact CE2-CB 4.23Å; Y564-F568 HydrophobicContact CD1-CD1 4.04Å; Y564-F568 HydrophobicContact CD1-CD2 4.36Å; Y564-F568 AromaticContact CD1-CE1 3.87Å; Y564-F568 HydrophobicContact CD1-CE1 3.87Å; Y564-F568 HydrophobicContact CD1-CE2 4.2Å; Y564-F568 HydrophobicContact CD1-CG 4.28Å; Y564-F568 AromaticContact CD1-CZ 3.96Å; Y564-F568 HydrophobicContact CD1-CZ 3.96Å; Y564-F568 HydrophobicContact CE1-CE1 4.23Å; Y564-F568 HydrophobicContact CE1-CZ 4.17Å; P565-F568 WeakPolarHBondContact O-CB 3.38Å; P565-F568 PolarHBondContact O-N 3.05Å; F568-F570 AromaticContact CD1-CD1 3.7Å; F568-F570 HydrophobicContact CD1-CD1 3.7Å; F568-F570 HydrophobicContact CD1-CD2 4.11Å; F568-F570 AromaticContact CD1-CE1 3.57Å; F568-F570 HydrophobicContact CD1-CE1 3.57Å; F568-F570 HydrophobicContact CD1-CE2 4Å; F568-F570 AromaticContact CD1-CG 3.96Å; F568-F570 HydrophobicContact CD1-CG 3.96Å; F568-F570 AromaticContact CD1-CZ 3.74Å; F568-F570 HydrophobicContact CD1-CZ 3.74Å; F568-F570 AromaticContact CE1-CD1 3.74Å; F568-F570 HydrophobicContact CE1-CD1 3.74Å; F568-F570 AromaticContact CE1-CE1 3.84Å; F568-F570 HydrophobicContact CE1-CE1 3.84Å; F568-F570 HydrophobicContact CE1-CG 4.27Å; F568-F570 HydrophobicContact CE1-CZ 4.46Å; F568-F570 PolarHBondContact O-N 3.44Å
569	S	87.1	Confident	86.2	Confident	101 Å²	101	75.3 Å²	75.3	71%	0.706	41%	0.413	S	S	*	.			trans	-88.4	104.7	177.7	-170.8	0	0	0	0	109.9	G567 N576	G567-S569 PolarHBondContact O-N 3.14Å; S569-N576 PolarHBondContact O-ND2 3.38Å
570	F	89.4	Confident	86.2	Confident	25 Å²	25	78.4 Å²	78.4	11%	0.11	43%	0.43	C	S	.	.			trans	-76	129.7	174.3	-65.6	-78	0	0	0	110.6	V476 A477 V491 Y502 M559 Y564 F568 N576 F577	V476-F570 HydrophobicContact CG2-CD2 3.88Å; V476-F570 HydrophobicContact CG2-CE2 3.95Å; A477-F570 HydrophobicContact CB-CB 3.72Å; A477-F570 HydrophobicContact CB-CG 4.35Å; V491-F570 HydrophobicContact CG1-CD2 4.32Å; V491-F570 HydrophobicContact CG1-CE1 4.23Å; V491-F570 HydrophobicContact CG1-CE2 3.89Å; V491-F570 HydrophobicContact CG1-CZ 3.84Å; Y502-F570 AromaticContact CD1-CE2 3.9Å; Y502-F570 HydrophobicContact CD1-CE2 3.9Å; Y502-F570 HydrophobicContact CD1-CZ 4.26Å; Y502-F570 AromaticContact CD2-CE2 3.99Å; Y502-F570 HydrophobicContact CD2-CE2 3.99Å; Y502-F570 AromaticContact CD2-CZ 3.79Å; Y502-F570 HydrophobicContact CD2-CZ 3.79Å; Y502-F570 AromaticContact CE1-CE2 3.92Å; Y502-F570 HydrophobicContact CE1-CE2 3.92Å; Y502-F570 AromaticContact CE2-CE2 3.99Å; Y502-F570 HydrophobicContact CE2-CE2 3.99Å; Y502-F570 HydrophobicContact CE2-CZ 4.16Å; Y502-F570 AromaticContact CG-CE2 3.95Å; Y502-F570 HydrophobicContact CG-CE2 3.95Å; Y502-F570 AromaticContact CG-CZ 3.85Å; Y502-F570 HydrophobicContact CG-CZ 3.85Å; Y502-F570 AromaticContact CZ-CE2 3.96Å; M559-F570 HydrophobicContact CE-CD1 4.49Å; M559-F570 HydrophobicContact CE-CE1 3.71Å; M559-F570 HydrophobicContact CE-CZ 4.2Å; M559-F570 HydrophobicContact SD-CE1 3.54Å; M559-F570 VanDerWaalsContact SD-CE1 3.54Å; M559-F570 HydrophobicContact SD-CZ 3.68Å; Y564-F570 HydrophobicContact CD1-CE1 4.03Å; Y564-F570 HydrophobicContact CD1-CZ 4.48Å; Y564-F570 HydrophobicContact CE1-CE1 4.49Å; F568-F570 AromaticContact CD1-CD1 3.7Å; F568-F570 HydrophobicContact CD1-CD1 3.7Å; F568-F570 HydrophobicContact CD1-CD2 4.11Å; F568-F570 AromaticContact CD1-CE1 3.57Å; F568-F570 HydrophobicContact CD1-CE1 3.57Å; F568-F570 HydrophobicContact CD1-CE2 4Å; F568-F570 AromaticContact CD1-CG 3.96Å; F568-F570 HydrophobicContact CD1-CG 3.96Å; F568-F570 AromaticContact CD1-CZ 3.74Å; F568-F570 HydrophobicContact CD1-CZ 3.74Å; F568-F570 AromaticContact CE1-CD1 3.74Å; F568-F570 HydrophobicContact CE1-CD1 3.74Å; F568-F570 AromaticContact CE1-CE1 3.84Å; F568-F570 HydrophobicContact CE1-CE1 3.84Å; F568-F570 HydrophobicContact CE1-CG 4.27Å; F568-F570 HydrophobicContact CE1-CZ 4.46Å; F568-F570 PolarHBondContact O-N 3.44Å; F570-N576 WeakPolarHBondContact CA-OD1 3.46Å; F570-F577 HydrophobicContact CB-CD1 4.4Å; F570-F577 HydrophobicContact CD1-CB 4Å; F570-F577 AromaticContact CD1-CD1 3.7Å; F570-F577 HydrophobicContact CD1-CD1 3.7Å; F570-F577 HydrophobicContact CD1-CE1 4.44Å; F570-F577 AromaticContact CD1-CG 3.99Å; F570-F577 HydrophobicContact CD1-CG 3.99Å; F570-F577 HydrophobicContact CE1-CB 4.1Å; F570-F577 HydrophobicContact CE1-CG 4.44Å
571	D	87.9	Confident	86.5	Confident	67 Å²	67	80.7 Å²	80.7	36%	0.358	44%	0.439	S	S	.	.			trans	-104	129.9	172.4	-163.7	-38.8	0	0	0	109.1	D573 D574 N576 F577	D571-D573 PolarHBondContact OD1-N 3.17Å; D571-D574 PolarHBondContact OD1-N 3.26Å; D571-D574 VanDerWaalsContact OD1-N 3.1Å; D571-N576 HydrophobicContact CB-CB 4.32Å; D571-N576 PolarHBondContact N-ND2 3.38Å; D571-N576 PolarHBondContact N-OD1 3.01Å; D571-F577 WeakPolarHBondContact O-CE1 3.43Å
572	T	86.8	Confident	87.1	Confident	50 Å²	50	74.7 Å²	74.7	31%	0.307	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-17.6	-177.4	51.3	0	0	0	0	113.6	A477 I479	A477-T572 HydrophobicContact CB-CG2 4.13Å; I479-T572 HydrophobicContact CG1-CG2 4.02Å
573	D	82.1	Confident	87.6	Confident	146 Å²	146	66.9 Å²	66.9	78%	0.781	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-52.1	-179.6	-66	-22.4	0	0	0	109	D571	D571-D573 PolarHBondContact OD1-N 3.17Å
574	D	83.8	Confident	88.2	Confident	137 Å²	137	60.5 Å²	60.5	73%	0.733	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	81.8	168.3	-82.5	-38.5	0	0	0	109.6	D571 N576	D571-D574 PolarHBondContact OD1-N 3.26Å; D571-D574 VanDerWaalsContact OD1-N 3.1Å; D574-N576 PolarHBondContact O-N 3.19Å
575	V	84.1	Confident	88.6	Confident	61 Å²	61	59.6 Å²	59.6	37%	0.37	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	101.9	-169.6	-176.3	0	0	0	0	112.9	I479 F577 I579	I479-V575 HydrophobicContact CD1-CG2 3.99Å; V575-F577 HydrophobicContact CG1-CD1 4.22Å; V575-F577 HydrophobicContact CG1-CD2 4.36Å; V575-F577 HydrophobicContact CG1-CE1 4.04Å; V575-F577 HydrophobicContact CG1-CE2 4.16Å; V575-F577 HydrophobicContact CG1-CG 4.39Å; V575-F577 HydrophobicContact CG1-CZ 4.01Å; V575-I579 HydrophobicContact CG1-CG2 3.81Å
576	N	87.8	Confident	89.1	Confident	65 Å²	65	56.2 Å²	56.2	35%	0.348	32%	0.317	S	S	.	.			trans	-95.6	14.7	-173	75.6	-6.3	0	0	0	114.5	S569 F570 D571 D574	S569-N576 PolarHBondContact O-ND2 3.38Å; F570-N576 WeakPolarHBondContact CA-OD1 3.46Å; D571-N576 HydrophobicContact CB-CB 4.32Å; D571-N576 PolarHBondContact N-ND2 3.38Å; D571-N576 PolarHBondContact N-OD1 3.01Å; D574-N576 PolarHBondContact O-N 3.19Å
577	F	89.3	Confident	89.8	Confident	12 Å²	12	50.3 Å²	50.3	5%	0.053	29%	0.291	C	S	.	.	S	Bend	trans	-136.9	164.3	-176.5	59.1	-91.2	0	0	0	112.2	I479 L489 V491 L504 M559 Y564 F570 D571 V575 I579	I479-F577 HydrophobicContact CD1-CZ 4.23Å; L489-F577 HydrophobicContact CD1-CE2 3.89Å; L489-F577 HydrophobicContact CD1-CZ 4.39Å; L489-F577 HydrophobicContact CD2-CE2 3.75Å; L489-F577 HydrophobicContact CD2-CZ 3.92Å; L489-F577 HydrophobicContact CG-CE2 4.36Å; V491-F577 HydrophobicContact CG2-CE2 4.37Å; L504-F577 HydrophobicContact CD1-CD2 3.83Å; L504-F577 HydrophobicContact CD1-CE2 3.93Å; M559-F577 HydrophobicContact CE-CB 4.23Å; M559-F577 HydrophobicContact CE-CD2 4.15Å; M559-F577 HydrophobicContact CE-CG 4.37Å; Y564-F577 HydrophobicContact CE1-CB 3.87Å; F570-F577 HydrophobicContact CB-CD1 4.4Å; F570-F577 HydrophobicContact CD1-CB 4Å; F570-F577 AromaticContact CD1-CD1 3.7Å; F570-F577 HydrophobicContact CD1-CD1 3.7Å; F570-F577 HydrophobicContact CD1-CE1 4.44Å; F570-F577 AromaticContact CD1-CG 3.99Å; F570-F577 HydrophobicContact CD1-CG 3.99Å; F570-F577 HydrophobicContact CE1-CB 4.1Å; F570-F577 HydrophobicContact CE1-CG 4.44Å; D571-F577 WeakPolarHBondContact O-CE1 3.43Å; V575-F577 HydrophobicContact CG1-CD1 4.22Å; V575-F577 HydrophobicContact CG1-CD2 4.36Å; V575-F577 HydrophobicContact CG1-CE1 4.04Å; V575-F577 HydrophobicContact CG1-CE2 4.16Å; V575-F577 HydrophobicContact CG1-CG 4.39Å; V575-F577 HydrophobicContact CG1-CZ 4.01Å; F577-I579 HydrophobicContact CD2-CG2 4.11Å; F577-I579 HydrophobicContact CE2-CG2 3.83Å; F577-I579 PolarHBondContact O-N 3.15Å
578	Q	86.8	Confident	90.4	Very high	56 Å²	56	46.9 Å²	46.9	26%	0.262	26%	0.256	S	S	.	.			trans	-73	125.5	-174.1	-178	173.7	-16.7	0	0	112.3	L504 L557 Y564 D580	L504-Q578 WeakPolarHBondContact CD1-O 3.41Å; L557-Q578 HydrophobicContact CD2-CB 4.44Å; L557-Q578 HydrophobicContact CD2-CG 4.2Å; Y564-Q578 PolarHBondContact OH-N 3Å; Y564-Q578 VanDerWaalsContact OH-N 3.15Å; Q578-D580 WeakPolarHBondContact CG-O 3.21Å; Q578-D580 PolarHBondContact NE2-O 3.15Å
579	I	89.9	Confident	90.8	Very high	33 Å²	33	44 Å²	44	17%	0.169	24%	0.244	C	C	.	.			trans	-117.4	-0.8	178.4	59.8	171.9	0	0	0	114.2	L489 V575 F577	L489-I579 HydrophobicContact CD2-CG2 4.2Å; V575-I579 HydrophobicContact CG1-CG2 3.81Å; F577-I579 HydrophobicContact CD2-CG2 4.11Å; F577-I579 HydrophobicContact CE2-CG2 3.83Å; F577-I579 PolarHBondContact O-N 3.15Å
580	D	89.8	Confident	91.1	Very high	68 Å²	68	39.2 Å²	39.2	36%	0.364	21%	0.21	S	C	.	.	S	Bend	trans	-128.2	160.9	-179	-59	-54.5	0	0	0	110.3	R516 Q578	R516-D580 IonicContact CZ-OD1 2.65Å; R516-D580 IonicContact NH1-OD1 4Å; R516-D580 PolarHBondContact NH1-OD1 3.09Å; R516-D580 IonicContact NH1-OD2 2.64Å; Q578-D580 WeakPolarHBondContact CG-O 3.21Å; Q578-D580 PolarHBondContact NE2-O 3.15Å
581	N	92.2	Very high	91.3	Very high	100 Å²	100	38.8 Å²	38.8	54%	0.535	21%	0.209	S	C	.	.	S	Bend	trans	59.4	46.9	-169	-48.7	-72.5	0	0	0	111.9	R516 S518	R516-N581 PolarHBondContact O-N 2.95Å; S518-N581 VanDerWaalsContact OG-CA 3.24Å; S518-N581 WeakPolarHBondContact OG-CA 3.13Å; S518-N581 WeakPolarHBondContact OG-CB 2.98Å
582	L	95.2	Very high	91.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	164.5	174.5	-53.9	179.2	0	0	0	110.7	L504 M506 R516 C517 S518 T519 C555 L557	L504-L582 HydrophobicContact CD2-CD1 4.3Å; L504-L582 HydrophobicContact CD2-CD2 4.01Å; M506-L582 HydrophobicContact CE-CD1 3.74Å; M506-L582 HydrophobicContact SD-CD1 3.92Å; R516-L582 HydrophobicContact CB-CD1 4.47Å; R516-L582 PolarHBondContact O-N 3.41Å; C517-L582 CarbonylContact C-O 3.54Å; C517-L582 VanDerWaalsContact CA-O 3.24Å; C517-L582 WeakPolarHBondContact CA-O 3.3Å; S518-L582 PolarHBondContact N-O 3.42Å; T519-L582 PolarHBondContact N-O 2.91Å; C555-L582 HydrophobicContact CB-CB 4.37Å; C555-L582 VanDerWaalsContact SG-CD1 3.53Å; L557-L582 HydrophobicContact CB-CD2 3.77Å; L557-L582 HydrophobicContact CD2-CD2 3.93Å; L557-L582 HydrophobicContact CG-CD2 4.42Å
583	C	95.6	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.3	171.2	179.7	0	0	0	0	109.8	T519 C555 H556	T519-C583 WeakPolarHBondContact O-CA 3.28Å; T519-C583 WeakPolarHBondContact OG1-CA 3.37Å; T519-C583 WeakPolarHBondContact OG1-CB 3.24Å; C555-C583 CarbonylContact C-O 3.5Å; C555-C583 VanDerWaalsContact CA-O 3.3Å; C555-C583 WeakPolarHBondContact CA-O 3.34Å; C555-C583 WeakPolarHBondContact CB-O 3.49Å; H556-C583 PolarHBondContact N-O 2.59Å; H556-C583 WeakPolarHBondContact O-CB 3.38Å; H556-C583 PolarHBondContact O-N 3.39Å
584	F	97.3	Very high	92.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.6	175.7	-169	-88.7	0	0	0	110.6	W391 I513 C517 T519 I520 I521 M529 F537 G586 L587	W391-F584 HydrophobicContact CE3-CE1 4.07Å; W391-F584 HydrophobicContact CZ3-CD1 4.33Å; W391-F584 AromaticContact CZ3-CE1 3.72Å; W391-F584 HydrophobicContact CZ3-CE1 3.72Å; I513-F584 HydrophobicContact CG2-CD2 3.93Å; I513-F584 HydrophobicContact CG2-CE2 3.86Å; C517-F584 HydrophobicContact CB-CB 3.88Å; T519-F584 PolarHBondContact O-N 2.91Å; I520-F584 WeakPolarHBondContact CA-O 3.35Å; I520-F584 HydrophobicContact CB-CB 4.29Å; I520-F584 HydrophobicContact CD1-CD1 3.71Å; I520-F584 HydrophobicContact CD1-CE1 4.48Å; I520-F584 HydrophobicContact CG1-CB 4.28Å; I520-F584 HydrophobicContact CG1-CD1 4.09Å; I521-F584 PolarHBondContact N-O 3.06Å; M529-F584 HydrophobicContact CE-CB 3.48Å; M529-F584 VanDerWaalsContact CE-CB 3.48Å; M529-F584 HydrophobicContact CE-CD2 4.46Å; M529-F584 HydrophobicContact CE-CG 3.93Å; F537-F584 HydrophobicContact CD2-CE1 4.25Å; F537-F584 HydrophobicContact CD2-CE2 4.42Å; F537-F584 AromaticContact CD2-CZ 3.93Å; F537-F584 HydrophobicContact CD2-CZ 3.93Å; F537-F584 HydrophobicContact CE2-CE1 4.28Å; F537-F584 AromaticContact CE2-CE2 3.77Å; F537-F584 HydrophobicContact CE2-CE2 3.77Å; F537-F584 AromaticContact CE2-CZ 3.52Å; F537-F584 HydrophobicContact CE2-CZ 3.52Å; F584-G586 VanDerWaalsContact CE1-N 3.3Å; F584-G586 VanDerWaalsContact CZ-C 3.48Å; F584-G586 VanDerWaalsContact CZ-O 3.26Å; F584-G586 WeakPolarHBondContact CZ-O 3.45Å; F584-L587 HydrophobicContact CZ-CD2 4.07Å; F584-L587 HydrophobicContact CZ-CG 4.21Å
585	V	96.4	Very high	92.6	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-39.5	-174.8	-174.1	0	0	0	0	112.6	L420 V423 I521 F554 H556	L420-V585 HydrophobicContact CB-CG1 3.75Å; L420-V585 HydrophobicContact CD1-CB 4.38Å; L420-V585 HydrophobicContact CD1-CG1 4.08Å; L420-V585 HydrophobicContact CG-CG1 4.5Å; V423-V585 HydrophobicContact CG2-CG2 4.34Å; I521-V585 HydrophobicContact CG2-CB 4.36Å; I521-V585 HydrophobicContact CG2-CG1 4.08Å; I521-V585 HydrophobicContact CG2-CG2 4.4Å; F554-V585 PolarHBondContact O-N 3.36Å; H556-V585 HydrophobicContact CB-CG2 4.36Å; H556-V585 WeakPolarHBondContact CD2-CG2 3.48Å
586	G	96.1	Very high	92.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	174.2	-179.6	0	0	0	0	0	114.1	W391 F554 F584	W391-G586 CarbonylContact O-C 3.56Å; W391-G586 WeakPolarHBondContact O-CA 3.38Å; F554-G586 PolarHBondContact N-O 3.42Å; F554-G586 PolarHBondContact O-N 3.39Å; F584-G586 VanDerWaalsContact CE1-N 3.3Å; F584-G586 VanDerWaalsContact CZ-C 3.48Å; F584-G586 VanDerWaalsContact CZ-O 3.26Å; F584-G586 WeakPolarHBondContact CZ-O 3.45Å
587	L	97.1	Very high	92.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.4	164.8	-58.2	166.1	0	0	0	109.5	M390 W391 P510 F537 V551 L552 F584	M390-L587 CarbonylContact C-O 3.56Å; M390-L587 VanDerWaalsContact CA-O 3.32Å; M390-L587 WeakPolarHBondContact CA-O 3.49Å; W391-L587 HydrophobicContact CB-CB 3.97Å; W391-L587 HydrophobicContact CB-CD1 4.11Å; W391-L587 HydrophobicContact CB-CG 4.33Å; W391-L587 HydrophobicContact CD2-CD1 4.48Å; W391-L587 HydrophobicContact CE3-CD1 4.24Å; W391-L587 HydrophobicContact CE3-CG 4.23Å; W391-L587 HydrophobicContact CG-CD1 4.48Å; W391-L587 PolarHBondContact N-O 3.32Å; W391-L587 PolarHBondContact O-N 2.86Å; P510-L587 HydrophobicContact CB-CD2 3.91Å; P510-L587 HydrophobicContact CG-CD2 4.19Å; F537-L587 HydrophobicContact CD2-CD1 4.28Å; F537-L587 HydrophobicContact CD2-CD2 4.48Å; F537-L587 HydrophobicContact CD2-CG 4.46Å; F537-L587 HydrophobicContact CE2-CD1 4.16Å; F537-L587 HydrophobicContact CE2-CD2 3.64Å; F537-L587 HydrophobicContact CE2-CG 4.08Å; F537-L587 HydrophobicContact CZ-CD2 4.08Å; V551-L587 HydrophobicContact CG1-CB 3.96Å; V551-L587 HydrophobicContact CG1-CD1 4.15Å; V551-L587 HydrophobicContact CG1-CD2 3.87Å; V551-L587 HydrophobicContact CG1-CG 4.22Å; L552-L587 WeakPolarHBondContact O-CA 3.37Å; F584-L587 HydrophobicContact CZ-CD2 4.07Å; F584-L587 HydrophobicContact CZ-CG 4.21Å
588	M	97.2	Very high	93.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.9	155.1	-55	-165	172.5	0	0	108.9	V387 M390 W417 L420 A424 L455 I459 L552 F554	V387-M588 HydrophobicContact CG1-CB 4.48Å; V387-M588 HydrophobicContact CG1-SD 4.45Å; M390-M588 HydrophobicContact CG-CB 4.43Å; M390-M588 HydrophobicContact CG-CG 4.02Å; M390-M588 HydrophobicContact CG-SD 4.44Å; W417-M588 HydrophobicContact CH2-CE 4.03Å; W417-M588 HydrophobicContact CZ3-CE 3.7Å; L420-M588 HydrophobicContact CD1-CE 4.34Å; L420-M588 HydrophobicContact CD2-CE 4.01Å; L420-M588 HydrophobicContact CD2-CG 4.43Å; L420-M588 HydrophobicContact CG-CE 3.64Å; A424-M588 HydrophobicContact CB-CE 3.8Å; A424-M588 HydrophobicContact CB-SD 4.18Å; L455-M588 HydrophobicContact CD2-CB 4.34Å; L455-M588 HydrophobicContact CD2-CG 4.45Å; L455-M588 HydrophobicContact CD2-SD 3.42Å; L455-M588 WeakPolarHBondContact CD2-SD 3.47Å; I459-M588 HydrophobicContact CD1-CE 4.21Å; L552-M588 PolarHBondContact N-O 3Å; L552-M588 PolarHBondContact O-N 3.47Å; F554-M588 HydrophobicContact CD2-CB 4.41Å; F554-M588 HydrophobicContact CD2-CG 4.06Å; F554-M588 HydrophobicContact CE2-CB 3.66Å; F554-M588 HydrophobicContact CE2-CG 3.63Å; F554-M588 HydrophobicContact CE2-SD 4.41Å; F554-M588 HydrophobicContact CZ-CB 4.33Å; F554-M588 HydrophobicContact CZ-CG 4.23Å; F554-M588 HydrophobicContact CZ-SD 4.44Å
589	S	95.6	Very high	93.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	156.5	169.8	65.6	0	0	0	0	111.1	V387 A388 H389 E549 R550	V387-S589 WeakPolarHBondContact CA-O 3.19Å; A388-S589 PolarHBondContact N-O 2.84Å; H389-S589 WeakPolarHBondContact CA-OG 3.39Å; H389-S589 WeakPolarHBondContact CB-OG 3.25Å; H389-S589 PolarHBondContact N-OG 3.36Å; H389-S589 VanDerWaalsContact N-OG 3.1Å; H389-S589 PolarHBondContact O-N 2.99Å; H389-S589 PolarHBondContact O-OG 2.99Å; E549-S589 WeakPolarHBondContact OE2-CB 3.33Å; E549-S589 PolarHBondContact OE2-OG 3.35Å; R550-S589 CarbonylContact O-C 3.58Å; R550-S589 VanDerWaalsContact O-CA 3.3Å; R550-S589 WeakPolarHBondContact O-CA 3.44Å
590	M	93.9	Very high	93.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	145.1	-179.4	56.5	-171	71.5	0	0	110.8	M385 T386 S451 A454 L455 R550 L552	M385-M590 HydrophobicContact CG-CB 4.09Å; M385-M590 HydrophobicContact CG-CG 3.93Å; M385-M590 HydrophobicContact CG-SD 3.82Å; M385-M590 HydrophobicContact SD-CB 3.8Å; M385-M590 HydrophobicContact SD-CG 3.63Å; M385-M590 HydrophobicContact SD-SD 4.27Å; T386-M590 VanDerWaalsContact O-CA 3.22Å; T386-M590 WeakPolarHBondContact O-CA 3.43Å; T386-M590 VanDerWaalsContact O-CB 3.3Å; T386-M590 WeakPolarHBondContact O-CB 3.48Å; S451-M590 WeakPolarHBondContact CA-SD 3.36Å; S451-M590 WeakPolarHBondContact CB-SD 3.31Å; S451-M590 PolarHBondContact OG-SD 3.48Å; A454-M590 HydrophobicContact CB-SD 4.2Å; L455-M590 HydrophobicContact CD1-CE 4.32Å; L455-M590 HydrophobicContact CD2-CE 3.93Å; L455-M590 HydrophobicContact CG-CE 3.89Å; R550-M590 HydrophobicContact CB-CG 4.09Å; R550-M590 PolarHBondContact N-O 3.07Å; R550-M590 WeakPolarHBondContact O-CG 3.31Å; R550-M590 PolarHBondContact O-N 3.42Å; L552-M590 HydrophobicContact CD1-CE 3.79Å; L552-M590 HydrophobicContact CG-CE 4.48Å
591	I	91.9	Very high	94	Very high	15 Å²	15	18.8 Å²	18.8	8%	0.077	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	170.3	178.3	-160.2	165.4	0	0	0	109	M385 T386 A388 E549 P593 T622 I626	M385-I591 WeakPolarHBondContact CA-O 3.46Å; M385-I591 VanDerWaalsContact SD-C 3.56Å; T386-I591 PolarHBondContact N-O 3.18Å; T386-I591 PolarHBondContact O-N 3.01Å; A388-I591 HydrophobicContact CB-CG2 3.98Å; E549-I591 HydrophobicContact CG-CB 4.2Å; E549-I591 HydrophobicContact CG-CD1 4.12Å; I591-P593 HydrophobicContact CG2-CB 4.39Å; I591-P593 VanDerWaalsContact O-CD 3.3Å; I591-P593 WeakPolarHBondContact O-CD 3.33Å; I591-T622 HydrophobicContact CD1-CG2 4.38Å; I591-I626 HydrophobicContact CD1-CD1 3.8Å; I591-I626 HydrophobicContact CD1-CG1 4.31Å; I591-I626 HydrophobicContact CG1-CD1 4.32Å
592	D	90.7	Very high	94.2	Very high	16 Å²	16	14.1 Å²	14.1	9%	0.086	9%	0.089	C	C	.	.			trans	-86.8	101.6	161.9	176.6	28.2	0	0	0	108.5	K376 T381 Q382 N383 R384	K376-D592 IonicContact NZ-OD2 2.7Å; T381-D592 VanDerWaalsContact CB-OD2 3.26Å; T381-D592 WeakPolarHBondContact CB-OD2 3.08Å; T381-D592 WeakPolarHBondContact CG2-O 3.48Å; T381-D592 VanDerWaalsContact OG1-CG 3.28Å; T381-D592 PolarHBondContact OG1-OD2 3.26Å; Q382-D592 PolarHBondContact N-OD1 2.82Å; N383-D592 VanDerWaalsContact CA-OD1 3.26Å; N383-D592 WeakPolarHBondContact CA-OD1 3.32Å; N383-D592 PolarHBondContact N-OD1 3.5Å; R384-D592 PolarHBondContact N-OD1 3.45Å
593	P	92.4	Very high	94.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.006	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-81.6	158.2	-166.1	34.5	-36.8	0	0	0	112.2	T381 Q382 R384 T401 I591	T381-P593 CarbonylContact C-O 3.56Å; T381-P593 WeakPolarHBondContact CA-O 3.39Å; T381-P593 VanDerWaalsContact CB-O 3.25Å; T381-P593 WeakPolarHBondContact CB-O 3.31Å; Q382-P593 HydrophobicContact CG-CG 4.49Å; Q382-P593 PolarHBondContact N-O 2.87Å; R384-P593 VanDerWaalsContact O-CD 3.26Å; R384-P593 WeakPolarHBondContact O-CD 3.33Å; T401-P593 HydrophobicContact CG2-CB 4.14Å; I591-P593 HydrophobicContact CG2-CB 4.39Å; I591-P593 VanDerWaalsContact O-CD 3.3Å; I591-P593 WeakPolarHBondContact O-CD 3.33Å
594	P	93.3	Very high	94.2	Very high	28 Å²	28	20 Å²	20	18%	0.182	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-52.6	152.6	168.3	-26.3	36.3	0	0	0	113.3	L380 Q382 I626 V630	L380-P594 WeakPolarHBondContact O-CA 3.43Å; Q382-P594 PolarHBondContact NE2-O 3.4Å; P594-I626 HydrophobicContact CG-CD1 4.42Å; P594-V630 HydrophobicContact CB-CG1 3.83Å; P594-V630 HydrophobicContact CG-CG1 3.73Å
595	R	91.3	Very high	94.2	Very high	17 Å²	17	20 Å²	20	6%	0.064	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-72.1	144.9	165.7	-59.9	171.1	173.9	-89.9	12.2	109.2	G378 L380 T381 Q382 E403 A597 V598 S736 D752	G378-R595 PolarHBondContact O-NE 3.23Å; G378-R595 PolarHBondContact O-NH2 3.21Å; L380-R595 PolarHBondContact O-N 3Å; T381-R595 PolarHBondContact O-NE 3.45Å; T381-R595 VanDerWaalsContact O-NE 3.17Å; Q382-R595 HydrophobicContact CG-CB 4.47Å; Q382-R595 HydrophobicContact CG-CG 3.86Å; E403-R595 IonicContact OE1-NH1 2.71Å; R595-A597 VanDerWaalsContact C-N 3.26Å; R595-A597 PolarHBondContact O-N 3.17Å; R595-A597 VanDerWaalsContact O-N 3.09Å; R595-V598 HydrophobicContact CB-CG2 3.79Å; R595-V598 WeakPolarHBondContact O-CB 3.48Å; R595-V598 PolarHBondContact O-N 3.22Å; R595-S736 PolarHBondContact NH2-OG 3.17Å; R595-D752 IonicContact CZ-OD2 3.94Å; R595-D752 IonicContact NH1-OD2 2.69Å; R595-D752 IonicContact NH2-OD2 3.85Å; R595-D752 PolarHBondContact NH2-OD2 2.79Å
596	A	88.5	Confident	94.1	Very high	43 Å²	43	23.6 Å²	23.6	36%	0.355	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.4	-170.1	0	0	0	0	0	114.2	T402	T402-A596 HydrophobicContact CG2-CB 4.2Å
597	A	90.9	Very high	94.1	Very high	34 Å²	34	27.5 Å²	27.5	28%	0.281	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.2	-179.4	0	0	0	0	0	114.9	R595 A601 A755	R595-A597 VanDerWaalsContact C-N 3.26Å; R595-A597 PolarHBondContact O-N 3.17Å; R595-A597 VanDerWaalsContact O-N 3.09Å; A597-A601 WeakPolarHBondContact O-CB 3.43Å; A597-A601 PolarHBondContact O-N 2.88Å; A597-A755 HydrophobicContact CB-CB 4.09Å
598	V	94.6	Very high	94	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-47.3	-172	163.7	0	0	0	0	113.6	L380 R595 D600 A601 V602 V630 F754	L380-V598 HydrophobicContact CB-CG1 4.21Å; L380-V598 HydrophobicContact CD2-CG1 3.54Å; L380-V598 HydrophobicContact CG-CG1 4.48Å; R595-V598 HydrophobicContact CB-CG2 3.79Å; R595-V598 WeakPolarHBondContact O-CB 3.48Å; R595-V598 PolarHBondContact O-N 3.22Å; V598-D600 PolarHBondContact O-N 3.42Å; V598-A601 PolarHBondContact O-N 3.07Å; V598-V602 HydrophobicContact CG1-CG2 4.19Å; V598-V602 WeakPolarHBondContact O-CG2 3.5Å; V598-V602 PolarHBondContact O-N 3.49Å; V598-V630 HydrophobicContact CG1-CB 3.92Å; V598-V630 HydrophobicContact CG1-CG1 3.6Å; V598-F754 HydrophobicContact CG2-CB 3.42Å; V598-F754 VanDerWaalsContact CG2-CB 3.42Å; V598-F754 HydrophobicContact CG2-CD1 4.2Å; V598-F754 HydrophobicContact CG2-CD2 4.33Å; V598-F754 HydrophobicContact CG2-CG 3.75Å
599	P	93.6	Very high	93.9	Very high	52 Å²	52	28.6 Å²	28.6	34%	0.338	18%	0.175	S	C	.	.	H	α-helix	trans	-59.4	-45.5	-178.7	-25.6	35.3	0	0	0	113.3	G603	P599-G603 PolarHBondContact O-N 2.82Å
600	D	94.6	Very high	94	Very high	85 Å²	85	28.8 Å²	28.8	46%	0.455	18%	0.177	S	C	.	.	H	α-helix	trans	-64.9	-40	174.9	169.5	67.6	0	0	0	111.9	V598 G603 K604	V598-D600 PolarHBondContact O-N 3.42Å; D600-G603 PolarHBondContact O-N 3.48Å; D600-K604 VanDerWaalsContact CG-NZ 3.29Å; D600-K604 WeakPolarHBondContact O-CB 3.18Å; D600-K604 WeakPolarHBondContact O-CG 3.21Å; D600-K604 PolarHBondContact O-N 3.41Å; D600-K604 WeakPolarHBondContact OD1-CE 3.36Å; D600-K604 IonicContact OD1-NZ 3.03Å; D600-K604 PolarHBondContact OD1-NZ 2.92Å; D600-K604 VanDerWaalsContact OD1-NZ 3.13Å; D600-K604 WeakPolarHBondContact OD2-CE 3.39Å; D600-K604 IonicContact OD2-NZ 2.71Å; D600-K604 PolarHBondContact OD2-NZ 2.83Å
601	A	95.4	Very high	94.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-41.9	178.8	0	0	0	0	0	113	A597 V598 K604 C605 F754 A755 V758	A597-A601 WeakPolarHBondContact O-CB 3.43Å; A597-A601 PolarHBondContact O-N 2.88Å; V598-A601 PolarHBondContact O-N 3.07Å; A601-K604 PolarHBondContact O-N 3.05Å; A601-C605 PolarHBondContact O-N 2.73Å; A601-C605 PolarHBondContact O-SG 3.37Å; A601-F754 HydrophobicContact CB-CD1 3.79Å; A601-F754 HydrophobicContact CB-CE1 4.45Å; A601-A755 HydrophobicContact CB-CB 4.3Å; A601-V758 HydrophobicContact CB-CG2 3.73Å; A601-V758 WeakPolarHBondContact O-CG2 3.22Å
602	V	96.1	Very high	94.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-45.4	172.4	172	0	0	0	0	110.2	L380 V598 K604 C605 R606 V612 V630 I632 F754	L380-V602 HydrophobicContact CD2-CG2 4.33Å; V598-V602 HydrophobicContact CG1-CG2 4.19Å; V598-V602 WeakPolarHBondContact O-CG2 3.5Å; V598-V602 PolarHBondContact O-N 3.49Å; V602-K604 VanDerWaalsContact C-N 3.31Å; V602-K604 PolarHBondContact O-N 2.75Å; V602-C605 PolarHBondContact O-N 3.41Å; V602-R606 WeakPolarHBondContact O-CG 3.36Å; V602-R606 PolarHBondContact O-N 2.98Å; V602-V612 HydrophobicContact CG1-CG2 4.4Å; V602-V630 VanDerWaalsContact CB-O 3.3Å; V602-V630 WeakPolarHBondContact CB-O 3.4Å; V602-V630 VanDerWaalsContact CG1-O 3.25Å; V602-V630 WeakPolarHBondContact CG1-O 3.25Å; V602-I632 HydrophobicContact CG1-CG1 4.01Å; V602-F754 HydrophobicContact CG2-CE1 4.1Å
603	G	95.7	Very high	94.8	Very high	32 Å²	32	30.2 Å²	30.2	33%	0.33	18%	0.182	S	C	.	.	H	α-helix	trans	-57.1	-40.4	174.9	0	0	0	0	0	113.3	P599 D600 S607	P599-G603 PolarHBondContact O-N 2.82Å; D600-G603 PolarHBondContact O-N 3.48Å; G603-S607 WeakPolarHBondContact O-CB 3.31Å; G603-S607 PolarHBondContact O-N 2.82Å; G603-S607 PolarHBondContact O-OG 2.82Å
604	K	95.9	Very high	95.1	Very high	92 Å²	92	30.2 Å²	30.2	40%	0.4	18%	0.182	S	C	.	.	H	α-helix	trans	-68.8	-40.6	174.6	-76.3	170.3	179.5	161.1	0	112.8	D600 A601 V602 S607 A608 V758	D600-K604 VanDerWaalsContact CG-NZ 3.29Å; D600-K604 WeakPolarHBondContact O-CB 3.18Å; D600-K604 WeakPolarHBondContact O-CG 3.21Å; D600-K604 PolarHBondContact O-N 3.41Å; D600-K604 WeakPolarHBondContact OD1-CE 3.36Å; D600-K604 IonicContact OD1-NZ 3.03Å; D600-K604 PolarHBondContact OD1-NZ 2.92Å; D600-K604 VanDerWaalsContact OD1-NZ 3.13Å; D600-K604 WeakPolarHBondContact OD2-CE 3.39Å; D600-K604 IonicContact OD2-NZ 2.71Å; D600-K604 PolarHBondContact OD2-NZ 2.83Å; A601-K604 PolarHBondContact O-N 3.05Å; V602-K604 VanDerWaalsContact C-N 3.31Å; V602-K604 PolarHBondContact O-N 2.75Å; K604-S607 WeakPolarHBondContact O-CB 3.47Å; K604-S607 PolarHBondContact O-N 3.18Å; K604-A608 WeakPolarHBondContact O-CB 3.37Å; K604-A608 PolarHBondContact O-N 2.99Å; K604-V758 HydrophobicContact CB-CG1 3.86Å; K604-V758 HydrophobicContact CB-CG2 4.08Å; K604-V758 HydrophobicContact CD-CG1 4.07Å
605	C	96.3	Very high	95.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-45.1	173.9	-67.7	0	0	0	0	111.5	I372 A601 V602 A608 G609 I610 V612	I372-C605 HydrophobicContact CD1-CB 4.22Å; A601-C605 PolarHBondContact O-N 2.73Å; A601-C605 PolarHBondContact O-SG 3.37Å; V602-C605 PolarHBondContact O-N 3.41Å; C605-A608 CarbonylContact O-C 3.51Å; C605-A608 WeakPolarHBondContact O-CB 3.48Å; C605-A608 PolarHBondContact O-N 3.18Å; C605-G609 PolarHBondContact O-N 3.35Å; C605-I610 HydrophobicContact CB-CB 4.35Å; C605-I610 VanDerWaalsContact O-CB 3.32Å; C605-I610 WeakPolarHBondContact O-CB 3.32Å; C605-I610 PolarHBondContact O-N 2.95Å; C605-V612 HydrophobicContact CB-CG2 4.23Å
606	R	95.6	Very high	95.3	Very high	79 Å²	79	28.3 Å²	28.3	30%	0.298	17%	0.172	S	C	.	.	H	α-helix	trans	-64.4	-39.7	175.6	-67.3	-172.3	69	175.3	1.3	112.1	V602 A608 G609 V612 G631 I632 S634 E686	V602-R606 WeakPolarHBondContact O-CG 3.36Å; V602-R606 PolarHBondContact O-N 2.98Å; R606-A608 PolarHBondContact O-N 3.33Å; R606-G609 PolarHBondContact O-N 3.27Å; R606-V612 HydrophobicContact CG-CG2 4.13Å; R606-G631 WeakPolarHBondContact CD-O 3.41Å; R606-G631 PolarHBondContact NH1-O 2.95Å; R606-I632 PolarHBondContact NH1-O 2.9Å; R606-S634 PolarHBondContact NH1-OG 3.11Å; R606-E686 IonicContact CZ-OE1 2.64Å; R606-E686 VanDerWaalsContact CZ-OE1 3.25Å; R606-E686 IonicContact NH1-OE1 2.78Å; R606-E686 PolarHBondContact NH1-OE1 2.98Å; R606-E686 IonicContact NH2-OE1 2.8Å; R606-E686 PolarHBondContact NH2-OE1 3.02Å
607	S	94.9	Very high	95.2	Very high	83 Å²	83	26.5 Å²	26.5	58%	0.58	16%	0.157	S	C	*	.	H	α-helix	trans	-61.1	-33.5	173.7	-61	0	0	0	0	112.6	G603 K604 G609	G603-S607 WeakPolarHBondContact O-CB 3.31Å; G603-S607 PolarHBondContact O-N 2.82Å; G603-S607 PolarHBondContact O-OG 2.82Å; K604-S607 WeakPolarHBondContact O-CB 3.47Å; K604-S607 PolarHBondContact O-N 3.18Å; S607-G609 PolarHBondContact O-N 3.36Å
608	A	95.5	Very high	94.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	8.6	173.6	0	0	0	0	0	114	K604 C605 R606 R765 M831 R833 P835	K604-A608 WeakPolarHBondContact O-CB 3.37Å; K604-A608 PolarHBondContact O-N 2.99Å; C605-A608 CarbonylContact O-C 3.51Å; C605-A608 WeakPolarHBondContact O-CB 3.48Å; C605-A608 PolarHBondContact O-N 3.18Å; R606-A608 PolarHBondContact O-N 3.33Å; A608-R765 PolarHBondContact O-NH2 2.87Å; A608-M831 WeakPolarHBondContact CA-O 3.42Å; A608-M831 HydrophobicContact CB-CE 4.05Å; A608-M831 WeakPolarHBondContact CB-O 3.5Å; A608-M831 PolarHBondContact N-O 2.98Å; A608-R833 CarbonylContact C-O 3.59Å; A608-P835 WeakPolarHBondContact O-CD 3.38Å
609	G	95.9	Very high	94.4	Very high	22 Å²	22	30.1 Å²	30.1	23%	0.227	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	15	178.5	0	0	0	0	0	115.3	C605 R606 S607 P835	C605-G609 PolarHBondContact O-N 3.35Å; R606-G609 PolarHBondContact O-N 3.27Å; S607-G609 PolarHBondContact O-N 3.36Å; G609-P835 WeakPolarHBondContact O-CD 3.4Å
610	I	97.8	Very high	94.2	Very high	5 Å²	5	29 Å²	29	3%	0.026	16%	0.161	C	C	.	.			trans	-87	128.3	179.7	-56.3	176.5	0	0	0	109.5	T369 I372 C605 V761 P835	T369-I610 HydrophobicContact CG2-CG2 4.42Å; I372-I610 HydrophobicContact CB-CG2 4.43Å; I372-I610 HydrophobicContact CD1-CG2 3.79Å; I372-I610 HydrophobicContact CG1-CG2 3.77Å; C605-I610 HydrophobicContact CB-CB 4.35Å; C605-I610 VanDerWaalsContact O-CB 3.32Å; C605-I610 WeakPolarHBondContact O-CB 3.32Å; C605-I610 PolarHBondContact O-N 2.95Å; I610-V761 HydrophobicContact CD1-CG1 3.89Å; I610-V761 HydrophobicContact CD1-CG2 3.83Å; I610-P835 HydrophobicContact CG1-CG 4.09Å
611	K	97.6	Very high	93.9	Very high	52 Å²	52	29.2 Å²	29.2	23%	0.226	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127.2	171.8	-174.6	173.4	-176.3	166.2	0	109.2	S370 T371 I372 I613 L681 H684 T685	S370-K611 PolarHBondContact O-N 2.82Å; T371-K611 CarbonylContact C-O 3.57Å; T371-K611 VanDerWaalsContact CA-O 3.26Å; T371-K611 WeakPolarHBondContact CA-O 3.48Å; T371-K611 HydrophobicContact CG2-CB 4.43Å; I372-K611 PolarHBondContact N-O 3.27Å; K611-I613 HydrophobicContact CD-CD1 4.37Å; K611-I613 HydrophobicContact CG-CG1 4.24Å; K611-L681 PolarHBondContact NZ-O 2.85Å; K611-H684 PolarHBondContact NZ-O 3.45Å; K611-T685 WeakPolarHBondContact CE-O 3.45Å
612	V	97.6	Very high	93.5	Very high	8 Å²	8	30.6 Å²	30.6	5%	0.048	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128	177.1	-171.1	0	0	0	0	108.8	I372 V602 C605 R606 I632	I372-V612 WeakPolarHBondContact O-CA 3.31Å; V602-V612 HydrophobicContact CG1-CG2 4.4Å; C605-V612 HydrophobicContact CB-CG2 4.23Å; R606-V612 HydrophobicContact CG-CG2 4.13Å; V612-I632 HydrophobicContact CB-CG1 4.29Å; V612-I632 HydrophobicContact CG1-CD1 3.87Å; V612-I632 HydrophobicContact CG1-CG1 3.76Å
613	I	98.1	Very high	93.3	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.1	-178.7	-59.7	180	0	0	0	107.6	T371 I372 C373 S374 K611 V615 L681 I687 F689	T371-I613 HydrophobicContact CG2-CD1 3.84Å; T371-I613 HydrophobicContact CG2-CG1 4.24Å; I372-I613 PolarHBondContact O-N 3.31Å; C373-I613 WeakPolarHBondContact CA-O 3.4Å; S374-I613 PolarHBondContact N-O 3.45Å; K611-I613 HydrophobicContact CD-CD1 4.37Å; K611-I613 HydrophobicContact CG-CG1 4.24Å; I613-V615 HydrophobicContact CG2-CG2 3.9Å; I613-L681 HydrophobicContact CD1-CD2 3.9Å; I613-I687 HydrophobicContact CD1-CD1 4.47Å; I613-I687 HydrophobicContact CG1-CB 4.36Å; I613-I687 HydrophobicContact CG2-CB 4.15Å; I613-I687 HydrophobicContact CG2-CG2 4.22Å; I613-F689 HydrophobicContact CG2-CD2 3.83Å; I613-F689 HydrophobicContact CG2-CE2 3.98Å
614	M	97.8	Very high	93.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.1	170.5	-174.7	-177.5	-72.6	0	0	109.5	S374 K376 L380 T616 A623 I626 A627 I632 I687 V688 F689	S374-M614 WeakPolarHBondContact O-CA 3.36Å; K376-M614 HydrophobicContact CB-CE 4.3Å; K376-M614 HydrophobicContact CB-CG 4.3Å; K376-M614 HydrophobicContact CB-SD 3.94Å; K376-M614 HydrophobicContact CG-CE 4Å; K376-M614 HydrophobicContact CG-SD 4Å; L380-M614 HydrophobicContact CD1-CE 3.93Å; M614-T616 HydrophobicContact CG-CG2 4.24Å; M614-T616 HydrophobicContact SD-CG2 4.09Å; M614-A623 HydrophobicContact SD-CB 4.04Å; M614-I626 HydrophobicContact CE-CB 4.38Å; M614-I626 HydrophobicContact CE-CG2 4Å; M614-A627 HydrophobicContact CE-CB 3.75Å; M614-A627 HydrophobicContact SD-CB 4.37Å; M614-I632 HydrophobicContact CB-CD1 4.12Å; M614-I632 HydrophobicContact CE-CD1 4.14Å; M614-I687 PolarHBondContact N-O 3.39Å; M614-I687 VanDerWaalsContact N-O 3.1Å; M614-V688 HydrophobicContact CB-CB 4.46Å; M614-V688 HydrophobicContact CB-CG1 4.2Å; M614-V688 HydrophobicContact CB-CG2 4.21Å; M614-V688 HydrophobicContact CG-CG1 4.38Å; M614-V688 HydrophobicContact SD-CG1 4Å; M614-F689 PolarHBondContact O-N 3.28Å
615	V	96.4	Very high	92.9	Very high	6 Å²	6	27.5 Å²	27.5	4%	0.036	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	94.2	178.3	-173.4	0	0	0	0	109.1	C373 S374 I613 F689 K697 I700	C373-V615 HydrophobicContact CB-CG2 4.12Å; S374-V615 PolarHBondContact O-N 2.94Å; I613-V615 HydrophobicContact CG2-CG2 3.9Å; V615-F689 HydrophobicContact CG2-CD2 4.26Å; V615-K697 HydrophobicContact CG1-CB 4.02Å; V615-K697 HydrophobicContact CG1-CD 3.91Å; V615-K697 HydrophobicContact CG1-CG 3.7Å; V615-K697 WeakPolarHBondContact O-CE 3.49Å; V615-K697 PolarHBondContact O-NZ 3.47Å; V615-I700 HydrophobicContact CG1-CD1 3.66Å; V615-I700 HydrophobicContact CG2-CD1 4.39Å; V615-I700 HydrophobicContact CG2-CG2 4.03Å
616	T	92.6	Very high	92.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.			trans	-129.3	156	-171.6	-170.4	0	0	0	0	113.4	D375 K376 M614 D618 A623 F689 A690 R691 T692	D375-T616 WeakPolarHBondContact OD1-CA 3.19Å; D375-T616 PolarHBondContact OD1-OG1 3.05Å; K376-T616 HydrophobicContact CB-CG2 4.14Å; M614-T616 HydrophobicContact CG-CG2 4.24Å; M614-T616 HydrophobicContact SD-CG2 4.09Å; T616-D618 VanDerWaalsContact C-N 3.34Å; T616-D618 HydrophobicContact CG2-CB 3.93Å; T616-D618 PolarHBondContact OG1-N 3.12Å; T616-A623 HydrophobicContact CG2-CB 3.8Å; T616-F689 PolarHBondContact N-O 2.94Å; T616-A690 CarbonylContact O-C 3.58Å; T616-A690 WeakPolarHBondContact O-CA 3.46Å; T616-R691 PolarHBondContact O-N 3.25Å; T616-R691 VanDerWaalsContact O-N 3.15Å; T616-T692 VanDerWaalsContact C-OG1 3.25Å; T616-T692 PolarHBondContact O-N 3.25Å; T616-T692 PolarHBondContact O-OG1 2.89Å
617	G	86.3	Confident	92.7	Very high	4 Å²	4	24 Å²	24	4%	0.041	14%	0.139	C	C	.	.	S	Bend	trans	-85.4	-5.5	168.4	0	0	0	0	0	113.9	T218 R691	T218-G617 WeakPolarHBondContact O-CA 3.48Å; G617-R691 WeakPolarHBondContact O-CA 3.38Å; G617-R691 PolarHBondContact O-NH1 3.01Å
618	D	84.4	Confident	92.6	Very high	16 Å²	16	25.1 Å²	25.1	9%	0.086	13%	0.133	C	C	.	.	S	Bend	trans	-68.1	161.7	178.7	-160.2	-9.1	0	0	0	112.5	E220 K376 T616 R691	E220-D618 WeakPolarHBondContact OE1-CA 3.23Å; K376-D618 HydrophobicContact CD-CB 4.35Å; K376-D618 VanDerWaalsContact CD-OD2 3.27Å; K376-D618 WeakPolarHBondContact CD-OD2 3.46Å; K376-D618 WeakPolarHBondContact CE-OD2 3.47Å; K376-D618 IonicContact NZ-OD2 3.14Å; K376-D618 PolarHBondContact NZ-OD2 2.98Å; T616-D618 VanDerWaalsContact C-N 3.34Å; T616-D618 HydrophobicContact CG2-CB 3.93Å; T616-D618 PolarHBondContact OG1-N 3.12Å; D618-R691 PolarHBondContact O-N 2.85Å
619	H	84.4	Confident	92.4	Very high	94 Å²	94	27.5 Å²	27.5	44%	0.435	16%	0.158	S	C	.	.			trans	-64.9	142.3	-179.9	-168.7	-103.1	0	0	0	112.3	I621 T622 A623	H619-I621 VanDerWaalsContact C-N 3.29Å; H619-I621 PolarHBondContact O-N 2.89Å; H619-I621 VanDerWaalsContact O-N 3.12Å; H619-T622 PolarHBondContact O-N 2.89Å; H619-A623 WeakPolarHBondContact O-CB 3.47Å; H619-A623 PolarHBondContact O-N 3.37Å
620	P	88.9	Confident	92.3	Very high	29 Å²	29	26.5 Å²	26.5	19%	0.188	15%	0.148	C	C	.	.	H	α-helix	trans	-53.9	-36	-175	-31.7	37.3	0	0	0	116.1	K624 V663 A690	P620-K624 WeakPolarHBondContact O-CB 3.32Å; P620-K624 PolarHBondContact O-N 2.88Å; P620-V663 HydrophobicContact CB-CG1 4.08Å; P620-A690 HydrophobicContact CB-CB 4.18Å; P620-A690 HydrophobicContact CG-CB 3.91Å
621	I	88.1	Confident	92.2	Very high	89 Å²	89	27.6 Å²	27.6	46%	0.456	16%	0.16	S	C	.	.	H	α-helix	trans	-65.4	-53.5	-178.4	-57.4	176	0	0	0	109.9	H619 A623 K624 A625	H619-I621 VanDerWaalsContact C-N 3.29Å; H619-I621 PolarHBondContact O-N 2.89Å; H619-I621 VanDerWaalsContact O-N 3.12Å; I621-A623 PolarHBondContact O-N 3.49Å; I621-K624 PolarHBondContact O-N 3.46Å; I621-A625 WeakPolarHBondContact O-CB 3.16Å; I621-A625 PolarHBondContact O-N 2.98Å
622	T	87.5	Confident	92.1	Very high	29 Å²	29	25.1 Å²	25.1	18%	0.178	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-43.9	177.5	-44	0	0	0	0	111.3	I591 H619 K624 A625 I626	I591-T622 HydrophobicContact CD1-CG2 4.38Å; H619-T622 PolarHBondContact O-N 2.89Å; T622-K624 PolarHBondContact O-N 3.43Å; T622-A625 PolarHBondContact O-N 3.29Å; T622-I626 HydrophobicContact CG2-CG1 4.49Å; T622-I626 WeakPolarHBondContact O-CG1 3.21Å; T622-I626 PolarHBondContact O-N 3.44Å
623	A	91.1	Very high	92	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-44.6	176.4	0	0	0	0	0	112.1	M614 T616 H619 I621 A627 V688 A690	M614-A623 HydrophobicContact SD-CB 4.04Å; T616-A623 HydrophobicContact CG2-CB 3.8Å; H619-A623 WeakPolarHBondContact O-CB 3.47Å; H619-A623 PolarHBondContact O-N 3.37Å; I621-A623 PolarHBondContact O-N 3.49Å; A623-A627 WeakPolarHBondContact O-CB 3.43Å; A623-A627 PolarHBondContact O-N 3.38Å; A623-V688 HydrophobicContact CB-CG1 3.84Å; A623-A690 HydrophobicContact CB-CB 3.99Å
624	K	92.8	Very high	91.8	Very high	37 Å²	37	27 Å²	27	16%	0.161	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-41.2	177	-174.3	177.5	-175.2	169.9	0	112.1	P620 I621 T622 A627 K628 I633 T639 D642 V663	P620-K624 WeakPolarHBondContact O-CB 3.32Å; P620-K624 PolarHBondContact O-N 2.88Å; I621-K624 PolarHBondContact O-N 3.46Å; T622-K624 PolarHBondContact O-N 3.43Å; K624-A627 PolarHBondContact O-N 3.17Å; K624-K628 PolarHBondContact O-N 3.39Å; K624-K628 VanDerWaalsContact O-N 3.1Å; K624-I633 HydrophobicContact CG-CD1 4.21Å; K624-T639 PolarHBondContact NZ-OG1 2.95Å; K624-D642 WeakPolarHBondContact CE-OD2 3.05Å; K624-D642 IonicContact NZ-OD1 3.39Å; K624-D642 PolarHBondContact NZ-OD1 2.96Å; K624-D642 IonicContact NZ-OD2 2.82Å; K624-D642 PolarHBondContact NZ-OD2 3.23Å; K624-V663 HydrophobicContact CB-CG2 4.19Å; K624-V663 HydrophobicContact CD-CG2 4.05Å; K624-V663 HydrophobicContact CG-CG2 4.06Å
625	A	90.8	Very high	91.4	Very high	23 Å²	23	36.4 Å²	36.4	19%	0.19	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-49.8	178	0	0	0	0	0	112	L547 I621 T622 A627 K628 G629	L547-A625 WeakPolarHBondContact O-CB 3.38Å; I621-A625 WeakPolarHBondContact O-CB 3.16Å; I621-A625 PolarHBondContact O-N 2.98Å; T622-A625 PolarHBondContact O-N 3.29Å; A625-A627 VanDerWaalsContact C-N 3.32Å; A625-A627 PolarHBondContact O-N 3.5Å; A625-K628 WeakPolarHBondContact O-CB 3.26Å; A625-K628 PolarHBondContact O-N 2.92Å; A625-G629 PolarHBondContact O-N 2.96Å
626	I	92.9	Very high	90.8	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-40.5	175.3	-63.9	-65.7	0	0	0	110.8	K376 T381 I591 P594 M614 T622 K628 G629 V630	K376-I626 HydrophobicContact CD-CB 4.43Å; K376-I626 HydrophobicContact CD-CG1 4.26Å; K376-I626 HydrophobicContact CD-CG2 4.4Å; K376-I626 HydrophobicContact CG-CB 4.27Å; K376-I626 HydrophobicContact CG-CG2 3.83Å; T381-I626 HydrophobicContact CG2-CD1 4.21Å; T381-I626 HydrophobicContact CG2-CG1 4.43Å; T381-I626 HydrophobicContact CG2-CG2 3.92Å; I591-I626 HydrophobicContact CD1-CD1 3.8Å; I591-I626 HydrophobicContact CD1-CG1 4.31Å; I591-I626 HydrophobicContact CG1-CD1 4.32Å; P594-I626 HydrophobicContact CG-CD1 4.42Å; M614-I626 HydrophobicContact CE-CB 4.38Å; M614-I626 HydrophobicContact CE-CG2 4Å; T622-I626 HydrophobicContact CG2-CG1 4.49Å; T622-I626 WeakPolarHBondContact O-CG1 3.21Å; T622-I626 PolarHBondContact O-N 3.44Å; I626-K628 VanDerWaalsContact C-N 3.28Å; I626-K628 PolarHBondContact O-N 3.44Å; I626-G629 PolarHBondContact O-N 3.16Å; I626-G629 VanDerWaalsContact O-N 3.11Å; I626-V630 HydrophobicContact CG2-CG1 4.29Å; I626-V630 WeakPolarHBondContact O-CG2 3.42Å; I626-V630 PolarHBondContact O-N 2.9Å
627	A	95	Very high	90.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-33.7	177.1	0	0	0	0	0	113.3	M614 A623 K624 A625 G631 I632 I633 V688	M614-A627 HydrophobicContact CE-CB 3.75Å; M614-A627 HydrophobicContact SD-CB 4.37Å; A623-A627 WeakPolarHBondContact O-CB 3.43Å; A623-A627 PolarHBondContact O-N 3.38Å; K624-A627 PolarHBondContact O-N 3.17Å; A625-A627 VanDerWaalsContact C-N 3.32Å; A625-A627 PolarHBondContact O-N 3.5Å; A627-G631 PolarHBondContact O-N 3.19Å; A627-I632 HydrophobicContact CB-CB 4.19Å; A627-I632 HydrophobicContact CB-CG2 4.34Å; A627-I632 WeakPolarHBondContact O-CA 3.42Å; A627-I632 PolarHBondContact O-N 3.33Å; A627-I633 HydrophobicContact CB-CD1 4.03Å; A627-I633 HydrophobicContact CB-CG1 4.1Å; A627-I633 PolarHBondContact O-N 2.93Å; A627-V688 HydrophobicContact CB-CG2 3.5Å
628	K	93.3	Very high	91	Very high	105 Å²	105	44 Å²	44	46%	0.457	26%	0.262	S	S	.	.	H	α-helix	trans	-68.5	-50.9	168.7	-73.2	-179.1	175.6	-174.5	0	111	K624 A625 I626 V630 G631 I633	K624-K628 PolarHBondContact O-N 3.39Å; K624-K628 VanDerWaalsContact O-N 3.1Å; A625-K628 WeakPolarHBondContact O-CB 3.26Å; A625-K628 PolarHBondContact O-N 2.92Å; I626-K628 VanDerWaalsContact C-N 3.28Å; I626-K628 PolarHBondContact O-N 3.44Å; K628-V630 VanDerWaalsContact C-N 3.26Å; K628-V630 PolarHBondContact O-N 3.41Å; K628-G631 PolarHBondContact O-N 3.33Å; K628-I633 HydrophobicContact CG-CB 3.94Å; K628-I633 HydrophobicContact CG-CG2 3.93Å
629	G	90.9	Very high	91.4	Very high	51 Å²	51	43.2 Å²	43.2	53%	0.526	26%	0.258	S	S	.	.	H	α-helix	trans	-59.3	-28.7	-178.7	0	0	0	0	0	115.2	A625 I626	A625-G629 PolarHBondContact O-N 2.96Å; I626-G629 PolarHBondContact O-N 3.16Å; I626-G629 VanDerWaalsContact O-N 3.11Å
630	V	94.8	Very high	91.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	0.6	174.2	-55.1	0	0	0	0	114.4	L380 P594 V598 V602 I626 K628 I632	L380-V630 HydrophobicContact CD1-CG2 4.47Å; P594-V630 HydrophobicContact CB-CG1 3.83Å; P594-V630 HydrophobicContact CG-CG1 3.73Å; V598-V630 HydrophobicContact CG1-CB 3.92Å; V598-V630 HydrophobicContact CG1-CG1 3.6Å; V602-V630 VanDerWaalsContact CB-O 3.3Å; V602-V630 WeakPolarHBondContact CB-O 3.4Å; V602-V630 VanDerWaalsContact CG1-O 3.25Å; V602-V630 WeakPolarHBondContact CG1-O 3.25Å; I626-V630 HydrophobicContact CG2-CG1 4.29Å; I626-V630 WeakPolarHBondContact O-CG2 3.42Å; I626-V630 PolarHBondContact O-N 2.9Å; K628-V630 VanDerWaalsContact C-N 3.26Å; K628-V630 PolarHBondContact O-N 3.41Å; V630-I632 HydrophobicContact CG2-CB 4.34Å; V630-I632 HydrophobicContact CG2-CD1 3.73Å; V630-I632 HydrophobicContact CG2-CG1 3.78Å
631	G	94.8	Very high	91.6	Very high	27 Å²	27	42.4 Å²	42.4	28%	0.278	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	20.7	179.1	0	0	0	0	0	115.8	R606 A627 K628	R606-G631 WeakPolarHBondContact CD-O 3.41Å; R606-G631 PolarHBondContact NH1-O 2.95Å; A627-G631 PolarHBondContact O-N 3.19Å; K628-G631 PolarHBondContact O-N 3.33Å
632	I	96.3	Very high	91.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	24%	0.243	C	C	.	.	S	Bend	trans	-71.8	-44.3	167.4	-71.3	172	0	0	0	109.7	L380 V602 R606 V612 M614 A627 V630 E686	L380-I632 HydrophobicContact CD1-CD1 3.9Å; V602-I632 HydrophobicContact CG1-CG1 4.01Å; R606-I632 PolarHBondContact NH1-O 2.9Å; V612-I632 HydrophobicContact CB-CG1 4.29Å; V612-I632 HydrophobicContact CG1-CD1 3.87Å; V612-I632 HydrophobicContact CG1-CG1 3.76Å; M614-I632 HydrophobicContact CB-CD1 4.12Å; M614-I632 HydrophobicContact CE-CD1 4.14Å; A627-I632 HydrophobicContact CB-CB 4.19Å; A627-I632 HydrophobicContact CB-CG2 4.34Å; A627-I632 WeakPolarHBondContact O-CA 3.42Å; A627-I632 PolarHBondContact O-N 3.33Å; V630-I632 HydrophobicContact CG2-CB 4.34Å; V630-I632 HydrophobicContact CG2-CD1 3.73Å; V630-I632 HydrophobicContact CG2-CG1 3.78Å; I632-E686 WeakPolarHBondContact O-CB 3.43Å; I632-E686 VanDerWaalsContact O-CG 3.31Å; I632-E686 WeakPolarHBondContact O-CG 3.3Å
633	I	96	Very high	91.8	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	24%	0.238	C	C	.	.	S	Bend	trans	-97.4	123.5	165.1	-62.2	174.5	0	0	0	107.2	K624 A627 K628 A661 E686 V688	K624-I633 HydrophobicContact CG-CD1 4.21Å; A627-I633 HydrophobicContact CB-CD1 4.03Å; A627-I633 HydrophobicContact CB-CG1 4.1Å; A627-I633 PolarHBondContact O-N 2.93Å; K628-I633 HydrophobicContact CG-CB 3.94Å; K628-I633 HydrophobicContact CG-CG2 3.93Å; I633-A661 HydrophobicContact CG1-CB 4.49Å; I633-A661 HydrophobicContact CG2-CB 4.26Å; I633-E686 WeakPolarHBondContact CA-OE2 3.36Å; I633-E686 HydrophobicContact CG1-CB 4.44Å; I633-V688 HydrophobicContact CD1-CG2 3.89Å; I633-V688 HydrophobicContact CG1-CG2 4.25Å
634	S	93.6	Very high	91.8	Very high	45 Å²	45	39.8 Å²	39.8	32%	0.315	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-78.4	149.9	177.2	-71.5	0	0	0	0	112	R606 G636 N637 E686	R606-S634 PolarHBondContact NH1-OG 3.11Å; S634-G636 PolarHBondContact O-N 3.27Å; S634-N637 PolarHBondContact O-N 3.32Å; S634-N637 VanDerWaalsContact O-N 3.15Å; S634-E686 WeakPolarHBondContact CB-OE1 3.22Å; S634-E686 PolarHBondContact N-OE1 2.83Å; S634-E686 PolarHBondContact N-OE2 3.36Å; S634-E686 PolarHBondContact OG-OE1 3.12Å; S634-E686 VanDerWaalsContact OG-OE1 3.14Å
635	E	87.8	Confident	91.7	Very high	198 Å²	198	41.6 Å²	41.6	93%	0.925	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	136.4	170.7	-65.7	-173.8	162	0	0	111.3	N637	E635-N637 VanDerWaalsContact C-N 3.28Å; E635-N637 PolarHBondContact O-N 2.79Å
636	G	85.3	Confident	91.7	Very high	78 Å²	78	47.5 Å²	47.5	80%	0.804	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-8	-177.5	0	0	0	0	0	116	S634	S634-G636 PolarHBondContact O-N 3.27Å
637	N	91.8	Very high	91.6	Very high	34 Å²	34	51.4 Å²	51.4	18%	0.182	30%	0.3	C	S	.	.			trans	-82.2	133.5	167.3	-74.6	-24	0	0	0	110.4	S634 E635 A661 E686	S634-N637 PolarHBondContact O-N 3.32Å; S634-N637 VanDerWaalsContact O-N 3.15Å; E635-N637 VanDerWaalsContact C-N 3.28Å; E635-N637 PolarHBondContact O-N 2.79Å; N637-A661 HydrophobicContact CB-CB 4.5Å; N637-E686 WeakPolarHBondContact CB-OE2 3.38Å; N637-E686 PolarHBondContact ND2-OE1 2.96Å; N637-E686 PolarHBondContact ND2-OE2 3.27Å
638	E	90.1	Very high	91.5	Very high	57 Å²	57	58.6 Å²	58.6	27%	0.266	34%	0.338	S	S	.	.			trans	-109.4	147.6	-176.9	-61.7	-173.3	122.3	0	0	111.1	D642 I643 R646	E638-D642 HydrophobicContact CB-CB 3.96Å; E638-D642 HydrophobicContact CG-CB 4.41Å; E638-I643 HydrophobicContact CB-CD1 4.33Å; E638-I643 HydrophobicContact CB-CG1 3.73Å; E638-R646 WeakPolarHBondContact OE1-CD 3.49Å; E638-R646 IonicContact OE1-CZ 2.74Å; E638-R646 IonicContact OE1-NE 3.13Å; E638-R646 PolarHBondContact OE1-NE 3.39Å; E638-R646 IonicContact OE1-NH2 2.7Å; E638-R646 IonicContact OE2-CZ 3.52Å; E638-R646 IonicContact OE2-NE 3.66Å; E638-R646 PolarHBondContact OE2-NE 3.29Å; E638-R646 IonicContact OE2-NH2 2.65Å; E638-R646 PolarHBondContact OE2-NH2 3.48Å
639	T	92.8	Very high	91.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	33%	0.33	C	S	.	.			trans	-85.9	168.9	165.4	75.6	0	0	0	0	111.3	K624 E641 D642 I643 A661 V663	K624-T639 PolarHBondContact NZ-OG1 2.95Å; T639-E641 WeakPolarHBondContact CB-OE2 3.13Å; T639-E641 PolarHBondContact O-N 3.15Å; T639-E641 PolarHBondContact OG1-OE2 2.71Å; T639-D642 PolarHBondContact N-OD2 2.82Å; T639-D642 PolarHBondContact O-N 3.45Å; T639-D642 VanDerWaalsContact O-N 3.1Å; T639-D642 PolarHBondContact OG1-N 3.05Å; T639-D642 PolarHBondContact OG1-OD2 3.16Å; T639-I643 WeakPolarHBondContact O-CG1 3.29Å; T639-I643 PolarHBondContact O-N 2.89Å; T639-A661 WeakPolarHBondContact CA-O 3.5Å; T639-A661 HydrophobicContact CG2-CB 4.08Å; T639-V663 HydrophobicContact CG2-CG2 4.12Å
640	V	89.4	Confident	91.5	Very high	20 Å²	20	57.3 Å²	57.3	12%	0.121	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-36.3	178.4	-169.9	0	0	0	0	110.7	A644 V651 V654 A659	V640-A644 WeakPolarHBondContact O-CB 3.33Å; V640-A644 PolarHBondContact O-N 2.94Å; V640-V651 HydrophobicContact CB-CG1 4.47Å; V640-V651 HydrophobicContact CG1-CG1 3.75Å; V640-V654 HydrophobicContact CG1-CB 3.69Å; V640-V654 HydrophobicContact CG1-CG1 3.69Å; V640-V654 HydrophobicContact CG1-CG2 4.47Å; V640-A659 HydrophobicContact CG2-CB 3.72Å
641	E	89.4	Confident	91.2	Very high	86 Å²	86	60.7 Å²	60.7	40%	0.402	35%	0.348	S	S	.	.	H	α-helix	trans	-69.7	-38.6	176.4	-53.4	69.7	-148.2	0	0	112.2	T639 A644 A645	T639-E641 WeakPolarHBondContact CB-OE2 3.13Å; T639-E641 PolarHBondContact O-N 3.15Å; T639-E641 PolarHBondContact OG1-OE2 2.71Å; E641-A644 PolarHBondContact O-N 3.34Å; E641-A645 WeakPolarHBondContact O-CB 3.44Å; E641-A645 PolarHBondContact O-N 3.44Å
642	D	90.1	Very high	91	Very high	42 Å²	42	64.9 Å²	64.9	23%	0.225	37%	0.373	C	S	.	.	H	α-helix	trans	-65.8	-44.4	176.4	-64.1	-36.6	0	0	0	110.8	K624 E638 T639 A644 A645 R646	K624-D642 WeakPolarHBondContact CE-OD2 3.05Å; K624-D642 IonicContact NZ-OD1 3.39Å; K624-D642 PolarHBondContact NZ-OD1 2.96Å; K624-D642 IonicContact NZ-OD2 2.82Å; K624-D642 PolarHBondContact NZ-OD2 3.23Å; E638-D642 HydrophobicContact CB-CB 3.96Å; E638-D642 HydrophobicContact CG-CB 4.41Å; T639-D642 PolarHBondContact N-OD2 2.82Å; T639-D642 PolarHBondContact O-N 3.45Å; T639-D642 VanDerWaalsContact O-N 3.1Å; T639-D642 PolarHBondContact OG1-N 3.05Å; T639-D642 PolarHBondContact OG1-OD2 3.16Å; D642-A644 VanDerWaalsContact C-N 3.34Å; D642-A644 PolarHBondContact O-N 2.85Å; D642-A645 PolarHBondContact O-N 3.21Å; D642-R646 VanDerWaalsContact O-CB 3.31Å; D642-R646 WeakPolarHBondContact O-CB 3.3Å; D642-R646 PolarHBondContact O-N 3.28Å
643	I	90.1	Very high	90.7	Very high	15 Å²	15	71 Å²	71	8%	0.077	40%	0.402	C	S	.	.	H	α-helix	trans	-62.1	-43.9	176.4	-62.4	168.7	0	0	0	110.3	E638 T639 R646 L647 V654 D658 A659	E638-I643 HydrophobicContact CB-CD1 4.33Å; E638-I643 HydrophobicContact CB-CG1 3.73Å; T639-I643 WeakPolarHBondContact O-CG1 3.29Å; T639-I643 PolarHBondContact O-N 2.89Å; I643-R646 PolarHBondContact O-N 2.72Å; I643-L647 HydrophobicContact CG2-CD1 3.74Å; I643-L647 HydrophobicContact CG2-CG 4.38Å; I643-L647 WeakPolarHBondContact O-CB 3.38Å; I643-L647 WeakPolarHBondContact O-CG 3.33Å; I643-L647 PolarHBondContact O-N 2.88Å; I643-V654 HydrophobicContact CB-CG1 3.96Å; I643-V654 HydrophobicContact CB-CG2 4.38Å; I643-V654 HydrophobicContact CD1-CG1 4.12Å; I643-V654 HydrophobicContact CG2-CG1 3.74Å; I643-V654 HydrophobicContact CG2-CG2 4.03Å; I643-D658 HydrophobicContact CD1-CB 4.45Å; I643-A659 HydrophobicContact CD1-CB 3.96Å
644	A	91	Very high	90.3	Very high	5 Å²	5	71.8 Å²	71.8	4%	0.041	41%	0.407	C	S	.	.	H	α-helix	trans	-60	-47.6	176.9	0	0	0	0	0	111.9	V640 E641 D642 N648 I649 V651 V654	V640-A644 WeakPolarHBondContact O-CB 3.33Å; V640-A644 PolarHBondContact O-N 2.94Å; E641-A644 PolarHBondContact O-N 3.34Å; D642-A644 VanDerWaalsContact C-N 3.34Å; D642-A644 PolarHBondContact O-N 2.85Å; A644-N648 WeakPolarHBondContact O-CA 3.42Å; A644-N648 PolarHBondContact O-N 2.93Å; A644-I649 WeakPolarHBondContact CB-O 3.24Å; A644-I649 PolarHBondContact O-N 3.04Å; A644-V651 HydrophobicContact CB-CB 4.38Å; A644-V651 HydrophobicContact CB-CG2 3.83Å; A644-V654 HydrophobicContact CB-CG2 3.89Å
645	A	89	Confident	90.1	Very high	76 Å²	76	73.6 Å²	73.6	63%	0.628	41%	0.413	S	S	*	.	H	α-helix	trans	-64.6	-45.9	177.8	0	0	0	0	0	112.2	E641 D642 L647 N648	E641-A645 WeakPolarHBondContact O-CB 3.44Å; E641-A645 PolarHBondContact O-N 3.44Å; D642-A645 PolarHBondContact O-N 3.21Å; A645-L647 PolarHBondContact O-N 3.27Å; A645-N648 PolarHBondContact O-N 3.3Å
646	R	91.6	Very high	89.9	Confident	146 Å²	146	66.5 Å²	66.5	55%	0.551	39%	0.388	S	S	*	.	H	α-helix	trans	-64.6	-37.1	179.6	-178.6	173.6	58.6	72.7	-3	112.9	E638 D642 I643	E638-R646 WeakPolarHBondContact OE1-CD 3.49Å; E638-R646 IonicContact OE1-CZ 2.74Å; E638-R646 IonicContact OE1-NE 3.13Å; E638-R646 PolarHBondContact OE1-NE 3.39Å; E638-R646 IonicContact OE1-NH2 2.7Å; E638-R646 IonicContact OE2-CZ 3.52Å; E638-R646 IonicContact OE2-NE 3.66Å; E638-R646 PolarHBondContact OE2-NE 3.29Å; E638-R646 IonicContact OE2-NH2 2.65Å; E638-R646 PolarHBondContact OE2-NH2 3.48Å; D642-R646 VanDerWaalsContact O-CB 3.31Å; D642-R646 WeakPolarHBondContact O-CB 3.3Å; D642-R646 PolarHBondContact O-N 3.28Å; I643-R646 PolarHBondContact O-N 2.72Å
647	L	91.3	Very high	90	Very high	89 Å²	89	71.8 Å²	71.8	47%	0.466	38%	0.383	S	S	.	.	H	α-helix	trans	-87.2	-7.7	177.1	-64.5	178.4	0	0	0	113.2	I643 A645 I649	I643-L647 HydrophobicContact CG2-CD1 3.74Å; I643-L647 HydrophobicContact CG2-CG 4.38Å; I643-L647 WeakPolarHBondContact O-CB 3.38Å; I643-L647 WeakPolarHBondContact O-CG 3.33Å; I643-L647 PolarHBondContact O-N 2.88Å; A645-L647 PolarHBondContact O-N 3.27Å; L647-I649 VanDerWaalsContact C-N 3.31Å; L647-I649 HydrophobicContact CB-CD1 4.05Å; L647-I649 HydrophobicContact CB-CG1 3.96Å; L647-I649 HydrophobicContact CB-CG2 4.34Å; L647-I649 HydrophobicContact CD1-CD1 3.95Å; L647-I649 PolarHBondContact O-N 3.21Å
648	N	92.6	Very high	89.9	Confident	152 Å²	152	75.4 Å²	75.4	81%	0.813	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	44.4	-173.2	-163.4	29.9	0	0	0	113.1	A644 A645	A644-N648 WeakPolarHBondContact O-CA 3.42Å; A644-N648 PolarHBondContact O-N 2.93Å; A645-N648 PolarHBondContact O-N 3.3Å
649	I	93.3	Very high	90	Very high	57 Å²	57	72.8 Å²	72.8	29%	0.292	39%	0.391	S	S	.	.			trans	-120.8	156.9	178	64.8	-179.1	0	0	0	111.2	A644 L647 Q653 V654	A644-I649 WeakPolarHBondContact CB-O 3.24Å; A644-I649 PolarHBondContact O-N 3.04Å; L647-I649 VanDerWaalsContact C-N 3.31Å; L647-I649 HydrophobicContact CB-CD1 4.05Å; L647-I649 HydrophobicContact CB-CG1 3.96Å; L647-I649 HydrophobicContact CB-CG2 4.34Å; L647-I649 HydrophobicContact CD1-CD1 3.95Å; L647-I649 PolarHBondContact O-N 3.21Å; I649-Q653 HydrophobicContact CD1-CB 4.31Å; I649-V654 HydrophobicContact CD1-CG2 4.01Å; I649-V654 HydrophobicContact CG1-CG2 4.21Å
650	P	91.6	Very high	90	Very high	72 Å²	72	78.6 Å²	78.6	47%	0.468	42%	0.416	S	S	.	.			trans	-60.5	140.4	173	-22.3	33.6	0	0	0	112.4	S652 Q653	P650-S652 PolarHBondContact O-N 2.7Å; P650-S652 VanDerWaalsContact O-N 3.07Å; P650-Q653 HydrophobicContact CB-CG 4.46Å; P650-Q653 WeakPolarHBondContact O-CB 3.46Å; P650-Q653 PolarHBondContact O-N 3.26Å
651	V	88.4	Confident	90.2	Very high	72 Å²	72	77.6 Å²	77.6	44%	0.436	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-51	-36	178.9	-176	0	0	0	0	112.4	V640 A644 Q653 V654	V640-V651 HydrophobicContact CB-CG1 4.47Å; V640-V651 HydrophobicContact CG1-CG1 3.75Å; A644-V651 HydrophobicContact CB-CB 4.38Å; A644-V651 HydrophobicContact CB-CG2 3.83Å; V651-Q653 PolarHBondContact O-N 3.01Å; V651-Q653 VanDerWaalsContact O-N 3.15Å; V651-V654 PolarHBondContact O-N 3.41Å; V651-V654 VanDerWaalsContact O-N 3.11Å
652	S	89.8	Confident	90.5	Very high	114 Å²	114	73.8 Å²	73.8	80%	0.797	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-66.3	-10.8	178.3	58.2	0	0	0	0	115.6	P650	P650-S652 PolarHBondContact O-N 2.7Å; P650-S652 VanDerWaalsContact O-N 3.07Å
653	Q	88.9	Confident	90.7	Very high	130 Å²	130	73 Å²	73	61%	0.607	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-96.1	-10.9	175.4	-60.9	-176.2	2.9	0	0	112.7	I649 P650 V651	I649-Q653 HydrophobicContact CD1-CB 4.31Å; P650-Q653 HydrophobicContact CB-CG 4.46Å; P650-Q653 WeakPolarHBondContact O-CB 3.46Å; P650-Q653 PolarHBondContact O-N 3.26Å; V651-Q653 PolarHBondContact O-N 3.01Å; V651-Q653 VanDerWaalsContact O-N 3.15Å
654	V	89.6	Confident	90.9	Very high	19 Å²	19	73.7 Å²	73.7	12%	0.115	39%	0.393	C	S	.	.	S	Bend	trans	-80.6	131	177.1	-179	0	0	0	0	109.5	V640 I643 A644 I649 V651 A656	V640-V654 HydrophobicContact CG1-CB 3.69Å; V640-V654 HydrophobicContact CG1-CG1 3.69Å; V640-V654 HydrophobicContact CG1-CG2 4.47Å; I643-V654 HydrophobicContact CB-CG1 3.96Å; I643-V654 HydrophobicContact CB-CG2 4.38Å; I643-V654 HydrophobicContact CD1-CG1 4.12Å; I643-V654 HydrophobicContact CG2-CG1 3.74Å; I643-V654 HydrophobicContact CG2-CG2 4.03Å; A644-V654 HydrophobicContact CB-CG2 3.89Å; I649-V654 HydrophobicContact CD1-CG2 4.01Å; I649-V654 HydrophobicContact CG1-CG2 4.21Å; V651-V654 PolarHBondContact O-N 3.41Å; V651-V654 VanDerWaalsContact O-N 3.11Å; V654-A656 PolarHBondContact O-N 2.92Å
655	N	88	Confident	91	Very high	83 Å²	83	75.9 Å²	75.9	44%	0.444	40%	0.402	S	S	.	.			trans	-72.9	114.6	171	171.1	24.3	0	0	0	109.5	R657 D658	N655-R657 PolarHBondContact O-N 2.97Å; N655-R657 PolarHBondContact OD1-N 3.19Å; N655-D658 WeakPolarHBondContact CB-OD2 3.47Å; N655-D658 PolarHBondContact ND2-OD1 3.01Å; N655-D658 WeakPolarHBondContact O-CB 3.21Å; N655-D658 PolarHBondContact O-N 2.98Å
656	A	84.9	Confident	90.9	Very high	48 Å²	48	72.5 Å²	72.5	40%	0.397	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-23.6	-178.9	0	0	0	0	0	114	V654 D658 A659 H684	V654-A656 PolarHBondContact O-N 2.92Å; A656-D658 VanDerWaalsContact C-N 3.3Å; A656-D658 PolarHBondContact O-N 3.45Å; A656-A659 PolarHBondContact O-N 3.34Å; A656-H684 PolarHBondContact O-CE1 2.9Å; A656-H684 VanDerWaalsContact O-CE1 3.31Å
657	R	86.8	Confident	90.7	Very high	190 Å²	190	69.3 Å²	69.3	72%	0.717	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-15.9	177.2	-68.1	-169.8	168.3	-162.6	-4.9	114.7	N655 A659	N655-R657 PolarHBondContact O-N 2.97Å; N655-R657 PolarHBondContact OD1-N 3.19Å; R657-A659 VanDerWaalsContact C-N 3.33Å
658	D	89.1	Confident	90.5	Very high	109 Å²	109	69.4 Å²	69.4	58%	0.583	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-23.5	177.3	-58	-16	0	0	0	110.7	I643 N655 A656	I643-D658 HydrophobicContact CD1-CB 4.45Å; N655-D658 WeakPolarHBondContact CB-OD2 3.47Å; N655-D658 PolarHBondContact ND2-OD1 3.01Å; N655-D658 WeakPolarHBondContact O-CB 3.21Å; N655-D658 PolarHBondContact O-N 2.98Å; A656-D658 VanDerWaalsContact C-N 3.3Å; A656-D658 PolarHBondContact O-N 3.45Å
659	A	91.8	Very high	90.4	Very high	2 Å²	2	62.5 Å²	62.5	2%	0.017	34%	0.336	C	S	.	.			trans	-86.7	109.2	175.2	0	0	0	0	0	111.9	V640 I643 A656 R657 A661 H684	V640-A659 HydrophobicContact CG2-CB 3.72Å; I643-A659 HydrophobicContact CD1-CB 3.96Å; A656-A659 PolarHBondContact O-N 3.34Å; R657-A659 VanDerWaalsContact C-N 3.33Å; A659-A661 VanDerWaalsContact C-N 3.32Å; A659-H684 PolarHBondContact O-CE1 2.71Å; A659-H684 PolarHBondContact O-ND1 2.75Å
660	K	92.5	Very high	89.8	Confident	123 Å²	123	65.2 Å²	65.2	54%	0.535	35%	0.345	S	S	.	.	S	Bend	trans	-73.5	-25.2	174.5	-68.7	-177.6	-174.8	167.3	0	113.6	T685 E686	K660-T685 PolarHBondContact O-N 3.2Å; K660-T685 PolarHBondContact O-OG1 2.93Å; K660-E686 PolarHBondContact O-N 3.22Å
661	A	95	Very high	89.6	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146.7	178.5	0	0	0	0	0	110.7	I633 N637 T639 A659 E686	I633-A661 HydrophobicContact CG1-CB 4.49Å; I633-A661 HydrophobicContact CG2-CB 4.26Å; N637-A661 HydrophobicContact CB-CB 4.5Å; T639-A661 WeakPolarHBondContact CA-O 3.5Å; T639-A661 HydrophobicContact CG2-CB 4.08Å; A659-A661 VanDerWaalsContact C-N 3.32Å; A661-E686 CarbonylContact C-O 3.53Å; A661-E686 VanDerWaalsContact CA-O 3.26Å; A661-E686 WeakPolarHBondContact CA-O 3.42Å; A661-E686 HydrophobicContact CB-CB 4.07Å
662	C	94.8	Very high	89.6	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.041	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.2	169.4	65.3	0	0	0	0	111.8	I664 H684 E686 V688	C662-I664 HydrophobicContact CB-CD1 4.41Å; C662-H684 HydrophobicContact CB-CB 4.47Å; C662-E686 PolarHBondContact N-O 3.31Å; C662-V688 PolarHBondContact O-N 3.3Å
663	V	95.1	Very high	89.7	Confident	25 Å²	25	65.4 Å²	65.4	15%	0.152	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.2	172.2	-178.6	0	0	0	0	107.1	P620 K624 T639 V688	P620-V663 HydrophobicContact CB-CG1 4.08Å; K624-V663 HydrophobicContact CB-CG2 4.19Å; K624-V663 HydrophobicContact CD-CG2 4.05Å; K624-V663 HydrophobicContact CG-CG2 4.06Å; T639-V663 HydrophobicContact CG2-CG2 4.12Å; V663-V688 CarbonylContact C-O 3.55Å; V663-V688 WeakPolarHBondContact CA-O 3.45Å; V663-V688 HydrophobicContact CG1-CG1 4.42Å; V663-V688 HydrophobicContact CG2-CB 4.2Å
664	I	94.6	Very high	89.7	Confident	29 Å²	29	64.9 Å²	64.9	15%	0.149	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.2	-176.5	-54.9	-60.2	0	0	0	108.9	C662 L669 I680 V688 F689 A690	C662-I664 HydrophobicContact CB-CD1 4.41Å; I664-L669 HydrophobicContact CG2-CB 4.26Å; I664-I680 HydrophobicContact CD1-CD1 4.24Å; I664-I680 HydrophobicContact CG1-CG2 4.33Å; I664-V688 PolarHBondContact N-O 3Å; I664-F689 HydrophobicContact CB-CD1 3.68Å; I664-F689 HydrophobicContact CB-CE1 3.89Å; I664-F689 HydrophobicContact CG1-CD1 4.29Å; I664-F689 HydrophobicContact CG1-CE1 4.05Å; I664-F689 HydrophobicContact CG2-CD1 3.96Å; I664-F689 HydrophobicContact CG2-CE1 4.03Å; I664-F689 WeakPolarHBondContact O-CA 3.45Å; I664-A690 PolarHBondContact O-N 3.17Å
665	H	92.1	Very high	89.8	Confident	52 Å²	52	69.9 Å²	69.9	24%	0.241	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	146	177.4	-166.8	-117	0	0	0	111.6	T667 D668 L669 A690 R691	H665-T667 PolarHBondContact ND1-N 2.88Å; H665-T667 PolarHBondContact ND1-OG1 3.07Å; H665-T667 PolarHBondContact O-N 3.5Å; H665-D668 PolarHBondContact O-N 3.48Å; H665-D668 VanDerWaalsContact O-N 3.08Å; H665-L669 PolarHBondContact O-N 3.1Å; H665-A690 CarbonylContact C-O 3.52Å; H665-R691 VanDerWaalsContact CD2-CB 3.45Å; H665-R691 WeakPolarHBondContact CD2-CB 3.34Å; H665-R691 WeakPolarHBondContact NE2-CB 3.15Å; H665-R691 WeakPolarHBondContact NE2-CG 3.36Å
666	G	87.6	Confident	90	Very high	5 Å²	5	70.2 Å²	70.2	5%	0.052	36%	0.356	C	S	.	.	H	α-helix	trans	-60.7	-26.5	-180	0	0	0	0	0	114.6	K670 A690 Q696	G666-K670 PolarHBondContact O-N 3.17Å; G666-A690 PolarHBondContact N-O 2.97Å; G666-Q696 PolarHBondContact O-NE2 2.91Å
667	T	86.5	Confident	90.3	Very high	78 Å²	78	68.1 Å²	68.1	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-44.7	172.2	53	0	0	0	0	111.4	H665 K670	H665-T667 PolarHBondContact ND1-N 2.88Å; H665-T667 PolarHBondContact ND1-OG1 3.07Å; H665-T667 PolarHBondContact O-N 3.5Å; T667-K670 WeakPolarHBondContact O-CB 3.34Å; T667-K670 PolarHBondContact O-N 3.5Å
668	D	88.5	Confident	90.6	Very high	92 Å²	92	59.9 Å²	59.9	49%	0.492	31%	0.308	S	S	.	.	H	α-helix	trans	-73.1	-39.7	-172.6	-45.4	-19.5	0	0	0	108.9	H665 K670 D671 L672	H665-D668 PolarHBondContact O-N 3.48Å; H665-D668 VanDerWaalsContact O-N 3.08Å; D668-K670 PolarHBondContact O-N 3.32Å; D668-K670 VanDerWaalsContact O-N 3.13Å; D668-D671 PolarHBondContact O-N 2.93Å; D668-L672 WeakPolarHBondContact O-CG 3.33Å; D668-L672 PolarHBondContact O-N 3.17Å
669	L	88.8	Confident	90.8	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-56.5	-25.9	173.8	-174.2	62.9	0	0	0	113.8	I664 H665 L672 I677 F689 T692 Q696 I700	I664-L669 HydrophobicContact CG2-CB 4.26Å; H665-L669 PolarHBondContact O-N 3.1Å; L669-L672 HydrophobicContact CD1-CD1 4.27Å; L669-I677 HydrophobicContact CD1-CD1 3.82Å; L669-I677 HydrophobicContact CD1-CG1 3.89Å; L669-F689 HydrophobicContact CD1-CD1 4.4Å; L669-F689 HydrophobicContact CD1-CE1 4.02Å; L669-F689 HydrophobicContact CD2-CD1 4.04Å; L669-F689 HydrophobicContact CD2-CE1 4.44Å; L669-T692 HydrophobicContact CD2-CG2 4.18Å; L669-Q696 HydrophobicContact CD2-CB 3.92Å; L669-Q696 HydrophobicContact CD2-CG 4.09Å; L669-I700 HydrophobicContact CD2-CD1 3.81Å; L669-I700 HydrophobicContact CD2-CG1 4.1Å
670	K	81.5	Confident	90.9	Very high	114 Å²	114	59.9 Å²	59.9	50%	0.496	31%	0.308	S	S	.	.	H	α-helix	trans	-69.3	-34.1	176.8	-175	179.5	-180	162.3	0	112.7	E37 G666 T667 D668	E37-K670 VanDerWaalsContact OE1-CE 3.27Å; E37-K670 WeakPolarHBondContact OE1-CE 3.42Å; E37-K670 IonicContact OE1-NZ 2.67Å; E37-K670 PolarHBondContact OE1-NZ 3.36Å; E37-K670 IonicContact OE2-NZ 2.96Å; E37-K670 PolarHBondContact OE2-NZ 3.27Å; G666-K670 PolarHBondContact O-N 3.17Å; T667-K670 WeakPolarHBondContact O-CB 3.34Å; T667-K670 PolarHBondContact O-N 3.5Å; D668-K670 PolarHBondContact O-N 3.32Å; D668-K670 VanDerWaalsContact O-N 3.13Å
671	D	87	Confident	91	Very high	136 Å²	136	54.3 Å²	54.3	73%	0.727	28%	0.284	S	S	*	.	H	α-helix	trans	-92.5	-6.9	-177.1	-64.2	-26.4	0	0	0	112.3	D668	D668-D671 PolarHBondContact O-N 2.93Å
672	L	89.1	Confident	90.8	Very high	48 Å²	48	59.9 Å²	59.9	25%	0.251	31%	0.308	S	S	.	.			trans	-77.5	136.2	175.3	-66	-177.1	0	0	0	112.6	D668 L669 Q676 I677 I680	D668-L672 WeakPolarHBondContact O-CG 3.33Å; D668-L672 PolarHBondContact O-N 3.17Å; L669-L672 HydrophobicContact CD1-CD1 4.27Å; L672-Q676 HydrophobicContact CB-CB 4.42Å; L672-Q676 HydrophobicContact CD2-CB 4.14Å; L672-I677 HydrophobicContact CB-CD1 4.45Å; L672-I677 HydrophobicContact CB-CG1 4Å; L672-I677 HydrophobicContact CD1-CG1 4.34Å; L672-I680 HydrophobicContact CD1-CD1 3.52Å
673	T	91.4	Very high	90.7	Very high	78 Å²	78	63.1 Å²	63.1	48%	0.479	33%	0.325	S	S	.	.			trans	-76.3	161.4	168.7	63.3	0	0	0	0	111.6	D675 Q676 I677	T673-D675 VanDerWaalsContact C-N 3.26Å; T673-D675 PolarHBondContact O-N 2.58Å; T673-Q676 PolarHBondContact O-N 2.82Å; T673-Q676 VanDerWaalsContact O-N 3.12Å; T673-Q676 WeakPolarHBondContact OG1-CG 3.31Å; T673-Q676 PolarHBondContact OG1-OE1 2.91Å; T673-I677 PolarHBondContact O-N 3.39Å; T673-I677 VanDerWaalsContact O-N 3.09Å
674	Q	89.4	Confident	90.6	Very high	119 Å²	119	62.8 Å²	62.8	56%	0.556	32%	0.322	S	S	*	.	H	α-helix	trans	-58	-37.5	-179.9	-67.1	-176.1	0.7	0	0	112.7	I677 D678	Q674-I677 PolarHBondContact O-N 2.95Å; Q674-D678 VanDerWaalsContact O-CG 3.31Å; Q674-D678 PolarHBondContact O-N 2.65Å
675	D	90.9	Very high	90.5	Very high	124 Å²	124	65.2 Å²	65.2	66%	0.663	34%	0.338	S	S	*	.	H	α-helix	trans	-65.5	-39	177.7	-63.7	-37.4	0	0	0	112	T673 D678 D679	T673-D675 VanDerWaalsContact C-N 3.26Å; T673-D675 PolarHBondContact O-N 2.58Å; D675-D678 PolarHBondContact O-N 2.82Å; D675-D679 PolarHBondContact O-N 2.78Å
676	Q	92.3	Very high	90.7	Very high	90 Å²	90	62.9 Å²	62.9	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-67.9	-38.8	176.7	-68.1	168.2	-68	0	0	111.9	L672 T673 D678 D679 I680	L672-Q676 HydrophobicContact CB-CB 4.42Å; L672-Q676 HydrophobicContact CD2-CB 4.14Å; T673-Q676 PolarHBondContact O-N 2.82Å; T673-Q676 VanDerWaalsContact O-N 3.12Å; T673-Q676 WeakPolarHBondContact OG1-CG 3.31Å; T673-Q676 PolarHBondContact OG1-OE1 2.91Å; Q676-D678 VanDerWaalsContact C-N 3.33Å; Q676-D679 PolarHBondContact O-N 3.08Å; Q676-I680 WeakPolarHBondContact O-CG1 3.35Å; Q676-I680 PolarHBondContact O-N 3.15Å
677	I	92.3	Very high	91.2	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-44.7	172.2	-64.3	170.5	0	0	0	109.9	L669 L672 T673 Q674 D679 I680 L681 I699	L669-I677 HydrophobicContact CD1-CD1 3.82Å; L669-I677 HydrophobicContact CD1-CG1 3.89Å; L672-I677 HydrophobicContact CB-CD1 4.45Å; L672-I677 HydrophobicContact CB-CG1 4Å; L672-I677 HydrophobicContact CD1-CG1 4.34Å; T673-I677 PolarHBondContact O-N 3.39Å; T673-I677 VanDerWaalsContact O-N 3.09Å; Q674-I677 PolarHBondContact O-N 2.95Å; I677-D679 VanDerWaalsContact C-N 3.3Å; I677-D679 PolarHBondContact O-N 3.02Å; I677-I680 PolarHBondContact O-N 3.37Å; I677-L681 HydrophobicContact CG2-CD1 3.99Å; I677-L681 HydrophobicContact CG2-CG 4.41Å; I677-L681 WeakPolarHBondContact O-CB 3.37Å; I677-L681 VanDerWaalsContact O-CG 3.3Å; I677-L681 WeakPolarHBondContact O-CG 3.21Å; I677-L681 PolarHBondContact O-N 2.86Å; I677-I699 HydrophobicContact CD1-CG2 3.92Å
678	D	93.1	Very high	91.7	Very high	17 Å²	17	58.9 Å²	58.9	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-33.6	179.6	-71.4	0.8	0	0	0	112	Q674 D675 Q676 K682 R706 Q707	Q674-D678 VanDerWaalsContact O-CG 3.31Å; Q674-D678 PolarHBondContact O-N 2.65Å; D675-D678 PolarHBondContact O-N 2.82Å; Q676-D678 VanDerWaalsContact C-N 3.33Å; D678-K682 WeakPolarHBondContact O-CD 3.48Å; D678-K682 WeakPolarHBondContact O-CE 3.44Å; D678-K682 WeakPolarHBondContact O-CG 3.34Å; D678-K682 PolarHBondContact O-N 3.31Å; D678-K682 VanDerWaalsContact O-N 3.08Å; D678-R706 IonicContact OD1-CZ 2.79Å; D678-R706 IonicContact OD1-NE 3Å; D678-R706 PolarHBondContact OD1-NE 3.45Å; D678-R706 IonicContact OD1-NH2 2.8Å; D678-R706 PolarHBondContact OD1-NH2 3.27Å; D678-R706 IonicContact OD2-CZ 3.82Å; D678-R706 IonicContact OD2-NE 2.75Å; D678-R706 PolarHBondContact OD2-NE 3.47Å; D678-R706 IonicContact OD2-NH2 3.97Å; D678-Q707 PolarHBondContact O-NE2 3.5Å
679	D	92.6	Very high	92.1	Very high	84 Å²	84	54.6 Å²	54.6	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-70.2	-40.1	172.8	-85.2	-5.1	0	0	0	113.2	D675 Q676 I677 L681 K682 N683	D675-D679 PolarHBondContact O-N 2.78Å; Q676-D679 PolarHBondContact O-N 3.08Å; I677-D679 VanDerWaalsContact C-N 3.3Å; I677-D679 PolarHBondContact O-N 3.02Å; D679-L681 VanDerWaalsContact C-N 3.32Å; D679-L681 PolarHBondContact O-N 2.77Å; D679-K682 PolarHBondContact O-N 3.3Å; D679-K682 IonicContact OD1-NZ 3.41Å; D679-N683 WeakPolarHBondContact O-CB 3.28Å; D679-N683 PolarHBondContact O-N 2.86Å; D679-N683 PolarHBondContact O-ND2 3.02Å
680	I	93.6	Very high	92.3	Very high	27 Å²	27	54.2 Å²	54.2	14%	0.138	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-47.3	172.2	-69.8	166.1	0	0	0	109.9	I664 L672 Q676 I677 K682 N683 H684	I664-I680 HydrophobicContact CD1-CD1 4.24Å; I664-I680 HydrophobicContact CG1-CG2 4.33Å; L672-I680 HydrophobicContact CD1-CD1 3.52Å; Q676-I680 WeakPolarHBondContact O-CG1 3.35Å; Q676-I680 PolarHBondContact O-N 3.15Å; I677-I680 PolarHBondContact O-N 3.37Å; I680-K682 VanDerWaalsContact C-N 3.28Å; I680-K682 PolarHBondContact O-N 2.96Å; I680-N683 PolarHBondContact O-N 3.33Å; I680-H684 PolarHBondContact O-CD2 2.84Å; I680-H684 PolarHBondContact O-N 3.43Å
681	L	94.4	Very high	92.6	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-28.5	-179.8	-71.8	174.9	0	0	0	113.6	K611 I613 I677 D679 I687 F689	K611-L681 PolarHBondContact NZ-O 2.85Å; I613-L681 HydrophobicContact CD1-CD2 3.9Å; I677-L681 HydrophobicContact CG2-CD1 3.99Å; I677-L681 HydrophobicContact CG2-CG 4.41Å; I677-L681 WeakPolarHBondContact O-CB 3.37Å; I677-L681 VanDerWaalsContact O-CG 3.3Å; I677-L681 WeakPolarHBondContact O-CG 3.21Å; I677-L681 PolarHBondContact O-N 2.86Å; D679-L681 VanDerWaalsContact C-N 3.32Å; D679-L681 PolarHBondContact O-N 2.77Å; L681-I687 HydrophobicContact CD2-CD1 3.92Å; L681-F689 HydrophobicContact CD2-CE2 4.25Å; L681-F689 HydrophobicContact CD2-CZ 4.33Å
682	K	91.9	Very high	92.8	Very high	117 Å²	117	45.9 Å²	45.9	51%	0.509	23%	0.233	S	C	.	.	H	α-helix	trans	-82.2	-44.7	175.9	-71.8	161.7	-158.1	154.1	0	113.1	D678 D679 I680	D678-K682 WeakPolarHBondContact O-CD 3.48Å; D678-K682 WeakPolarHBondContact O-CE 3.44Å; D678-K682 WeakPolarHBondContact O-CG 3.34Å; D678-K682 PolarHBondContact O-N 3.31Å; D678-K682 VanDerWaalsContact O-N 3.08Å; D679-K682 PolarHBondContact O-N 3.3Å; D679-K682 IonicContact OD1-NZ 3.41Å; I680-K682 VanDerWaalsContact C-N 3.28Å; I680-K682 PolarHBondContact O-N 2.96Å
683	N	91.8	Very high	92.7	Very high	73 Å²	73	44.6 Å²	44.6	39%	0.39	23%	0.228	S	C	.	.	H	α-helix	trans	-83.9	-29.7	-167.4	-67.5	-66.3	0	0	0	113.3	D679 I680	D679-N683 WeakPolarHBondContact O-CB 3.28Å; D679-N683 PolarHBondContact O-N 2.86Å; D679-N683 PolarHBondContact O-ND2 3.02Å; I680-N683 PolarHBondContact O-N 3.33Å
684	H	93.5	Very high	92.4	Very high	19 Å²	19	41.3 Å²	41.3	9%	0.088	21%	0.208	C	C	.	.			trans	-102.3	134.7	178.6	-55.5	-75.2	0	0	0	111.2	K611 A656 A659 C662 I680 I687	K611-H684 PolarHBondContact NZ-O 3.45Å; A656-H684 PolarHBondContact O-CE1 2.9Å; A656-H684 VanDerWaalsContact O-CE1 3.31Å; A659-H684 PolarHBondContact O-CE1 2.71Å; A659-H684 PolarHBondContact O-ND1 2.75Å; C662-H684 HydrophobicContact CB-CB 4.47Å; I680-H684 PolarHBondContact O-CD2 2.84Å; I680-H684 PolarHBondContact O-N 3.43Å; H684-I687 HydrophobicContact CB-CD1 4.29Å; H684-I687 HydrophobicContact CB-CG1 4Å
685	T	93.2	Very high	92.2	Very high	80 Å²	80	36.4 Å²	36.4	49%	0.491	19%	0.185	S	C	.	.	S	Bend	trans	-86.9	-30	179.4	48.4	0	0	0	0	112.7	K611 K660	K611-T685 WeakPolarHBondContact CE-O 3.45Å; K660-T685 PolarHBondContact O-N 3.2Å; K660-T685 PolarHBondContact O-OG1 2.93Å
686	E	96.3	Very high	92.1	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115.2	-175.3	-59.5	-178.3	165.7	0	0	107.9	R606 I632 I633 S634 N637 K660 A661 C662	R606-E686 IonicContact CZ-OE1 2.64Å; R606-E686 VanDerWaalsContact CZ-OE1 3.25Å; R606-E686 IonicContact NH1-OE1 2.78Å; R606-E686 PolarHBondContact NH1-OE1 2.98Å; R606-E686 IonicContact NH2-OE1 2.8Å; R606-E686 PolarHBondContact NH2-OE1 3.02Å; I632-E686 WeakPolarHBondContact O-CB 3.43Å; I632-E686 VanDerWaalsContact O-CG 3.31Å; I632-E686 WeakPolarHBondContact O-CG 3.3Å; I633-E686 WeakPolarHBondContact CA-OE2 3.36Å; I633-E686 HydrophobicContact CG1-CB 4.44Å; S634-E686 WeakPolarHBondContact CB-OE1 3.22Å; S634-E686 PolarHBondContact N-OE1 2.83Å; S634-E686 PolarHBondContact N-OE2 3.36Å; S634-E686 PolarHBondContact OG-OE1 3.12Å; S634-E686 VanDerWaalsContact OG-OE1 3.14Å; N637-E686 WeakPolarHBondContact CB-OE2 3.38Å; N637-E686 PolarHBondContact ND2-OE1 2.96Å; N637-E686 PolarHBondContact ND2-OE2 3.27Å; K660-E686 PolarHBondContact O-N 3.22Å; A661-E686 CarbonylContact C-O 3.53Å; A661-E686 VanDerWaalsContact CA-O 3.26Å; A661-E686 WeakPolarHBondContact CA-O 3.42Å; A661-E686 HydrophobicContact CB-CB 4.07Å; C662-E686 PolarHBondContact N-O 3.31Å
687	I	96.8	Very high	92.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.4	-167.5	-53.3	-179.9	0	0	0	109.6	I613 M614 L681 H684 F689	I613-I687 HydrophobicContact CD1-CD1 4.47Å; I613-I687 HydrophobicContact CG1-CB 4.36Å; I613-I687 HydrophobicContact CG2-CB 4.15Å; I613-I687 HydrophobicContact CG2-CG2 4.22Å; M614-I687 PolarHBondContact N-O 3.39Å; M614-I687 VanDerWaalsContact N-O 3.1Å; L681-I687 HydrophobicContact CD2-CD1 3.92Å; H684-I687 HydrophobicContact CB-CD1 4.29Å; H684-I687 HydrophobicContact CB-CG1 4Å; I687-F689 HydrophobicContact CG2-CD2 3.78Å; I687-F689 HydrophobicContact CG2-CE2 3.37Å; I687-F689 HydrophobicContact CG2-CZ 3.81Å
688	V	97.3	Very high	92.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.7	172.1	178.7	0	0	0	0	108.3	M614 A623 A627 I633 C662 V663 I664	M614-V688 HydrophobicContact CB-CB 4.46Å; M614-V688 HydrophobicContact CB-CG1 4.2Å; M614-V688 HydrophobicContact CB-CG2 4.21Å; M614-V688 HydrophobicContact CG-CG1 4.38Å; M614-V688 HydrophobicContact SD-CG1 4Å; A623-V688 HydrophobicContact CB-CG1 3.84Å; A627-V688 HydrophobicContact CB-CG2 3.5Å; I633-V688 HydrophobicContact CD1-CG2 3.89Å; I633-V688 HydrophobicContact CG1-CG2 4.25Å; C662-V688 PolarHBondContact O-N 3.3Å; V663-V688 CarbonylContact C-O 3.55Å; V663-V688 WeakPolarHBondContact CA-O 3.45Å; V663-V688 HydrophobicContact CG1-CG1 4.42Å; V663-V688 HydrophobicContact CG2-CB 4.2Å; I664-V688 PolarHBondContact N-O 3Å
689	F	96.6	Very high	92.1	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.7	166	-64.6	-84	0	0	0	108.6	I613 M614 V615 T616 I664 L669 L681 I687 T692 I700	I613-F689 HydrophobicContact CG2-CD2 3.83Å; I613-F689 HydrophobicContact CG2-CE2 3.98Å; M614-F689 PolarHBondContact O-N 3.28Å; V615-F689 HydrophobicContact CG2-CD2 4.26Å; T616-F689 PolarHBondContact N-O 2.94Å; I664-F689 HydrophobicContact CB-CD1 3.68Å; I664-F689 HydrophobicContact CB-CE1 3.89Å; I664-F689 HydrophobicContact CG1-CD1 4.29Å; I664-F689 HydrophobicContact CG1-CE1 4.05Å; I664-F689 HydrophobicContact CG2-CD1 3.96Å; I664-F689 HydrophobicContact CG2-CE1 4.03Å; I664-F689 WeakPolarHBondContact O-CA 3.45Å; L669-F689 HydrophobicContact CD1-CD1 4.4Å; L669-F689 HydrophobicContact CD1-CE1 4.02Å; L669-F689 HydrophobicContact CD2-CD1 4.04Å; L669-F689 HydrophobicContact CD2-CE1 4.44Å; L681-F689 HydrophobicContact CD2-CE2 4.25Å; L681-F689 HydrophobicContact CD2-CZ 4.33Å; I687-F689 HydrophobicContact CG2-CD2 3.78Å; I687-F689 HydrophobicContact CG2-CE2 3.37Å; I687-F689 HydrophobicContact CG2-CZ 3.81Å; F689-T692 HydrophobicContact CB-CG2 3.67Å; F689-I700 HydrophobicContact CB-CD1 3.75Å; F689-I700 HydrophobicContact CD1-CD1 3.84Å; F689-I700 HydrophobicContact CD1-CG1 4.31Å; F689-I700 HydrophobicContact CD2-CD1 3.72Å; F689-I700 HydrophobicContact CD2-CG1 4.17Å; F689-I700 HydrophobicContact CD2-CG2 3.96Å; F689-I700 HydrophobicContact CE1-CD1 4.35Å; F689-I700 HydrophobicContact CE1-CG1 4.32Å; F689-I700 HydrophobicContact CE2-CD1 4.21Å; F689-I700 HydrophobicContact CE2-CG1 4.15Å; F689-I700 HydrophobicContact CE2-CG2 3.71Å; F689-I700 HydrophobicContact CG-CD1 3.5Å; F689-I700 VanDerWaalsContact CG-CD1 3.5Å; F689-I700 HydrophobicContact CG-CG1 4.24Å; F689-I700 HydrophobicContact CZ-CG1 4.23Å; F689-I700 HydrophobicContact CZ-CG2 4.4Å
690	A	92.8	Very high	92.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	156.8	-176.5	0	0	0	0	0	111	T616 P620 A623 I664 H665 G666 T692	T616-A690 CarbonylContact O-C 3.58Å; T616-A690 WeakPolarHBondContact O-CA 3.46Å; P620-A690 HydrophobicContact CB-CB 4.18Å; P620-A690 HydrophobicContact CG-CB 3.91Å; A623-A690 HydrophobicContact CB-CB 3.99Å; I664-A690 PolarHBondContact O-N 3.17Å; H665-A690 CarbonylContact C-O 3.52Å; G666-A690 PolarHBondContact N-O 2.97Å; A690-T692 PolarHBondContact O-N 3.02Å
691	R	89.1	Confident	92.3	Very high	64 Å²	64	23.7 Å²	23.7	24%	0.242	12%	0.119	C	C	.	.	S	Bend	trans	52.9	32.5	-174	-151.1	77.3	-170.7	149.8	-4	114.4	E220 E237 T616 G617 D618 H665	E220-R691 IonicContact OE1-NH1 2.64Å; E220-R691 PolarHBondContact OE1-NH1 2.95Å; E220-R691 IonicContact OE2-CZ 3.78Å; E220-R691 IonicContact OE2-NH1 3.78Å; E220-R691 PolarHBondContact OE2-NH1 3.4Å; E220-R691 IonicContact OE2-NH2 2.73Å; E237-R691 IonicContact OE1-CZ 3.75Å; E237-R691 IonicContact OE1-NE 2.72Å; E237-R691 PolarHBondContact OE1-NE 3.49Å; E237-R691 IonicContact OE1-NH2 2.66Å; E237-R691 PolarHBondContact OE1-NH2 3.41Å; T616-R691 PolarHBondContact O-N 3.25Å; T616-R691 VanDerWaalsContact O-N 3.15Å; G617-R691 WeakPolarHBondContact O-CA 3.38Å; G617-R691 PolarHBondContact O-NH1 3.01Å; D618-R691 PolarHBondContact O-N 2.85Å; H665-R691 VanDerWaalsContact CD2-CB 3.45Å; H665-R691 WeakPolarHBondContact CD2-CB 3.34Å; H665-R691 WeakPolarHBondContact NE2-CB 3.15Å; H665-R691 WeakPolarHBondContact NE2-CG 3.36Å
692	T	90.3	Very high	92.3	Very high	10 Å²	10	25 Å²	25	6%	0.061	13%	0.125	C	C	.	.			trans	-80.2	142.7	-177.9	55.9	0	0	0	0	113.7	T616 L669 F689 A690 Q696 I700	T616-T692 VanDerWaalsContact C-OG1 3.25Å; T616-T692 PolarHBondContact O-N 3.25Å; T616-T692 PolarHBondContact O-OG1 2.89Å; L669-T692 HydrophobicContact CD2-CG2 4.18Å; F689-T692 HydrophobicContact CB-CG2 3.67Å; A690-T692 PolarHBondContact O-N 3.02Å; T692-Q696 HydrophobicContact CG2-CB 4.48Å; T692-I700 HydrophobicContact CG2-CD1 4.12Å
693	S	87.1	Confident	92.4	Very high	22 Å²	22	19.4 Å²	19.4	15%	0.154	10%	0.101	C	C	.	.			trans	-80.8	160.3	169.2	74.5	0	0	0	0	112.4	Q695 Q696 K697	S693-Q695 PolarHBondContact O-N 3.35Å; S693-Q696 WeakPolarHBondContact O-CA 3.28Å; S693-Q696 WeakPolarHBondContact O-CB 3.06Å; S693-Q696 PolarHBondContact O-N 3.06Å; S693-Q696 WeakPolarHBondContact OG-CG 3.25Å; S693-Q696 PolarHBondContact OG-N 2.72Å; S693-K697 WeakPolarHBondContact O-CG 3.38Å; S693-K697 PolarHBondContact O-N 3.48Å
694	P	85.5	Confident	92.6	Very high	8 Å²	8	16.2 Å²	16.2	5%	0.052	8%	0.084	C	C	.	.	H	α-helix	trans	-52.4	-38.3	174.7	-26.7	34.4	0	0	0	113.6	I269 K697 L698 N719 P722	I269-P694 HydrophobicContact CD1-CB 4.3Å; I269-P694 HydrophobicContact CD1-CG 3.87Å; I269-P694 HydrophobicContact CG1-CB 4.42Å; I269-P694 HydrophobicContact CG1-CG 4.5Å; P694-K697 PolarHBondContact O-N 3.38Å; P694-L698 PolarHBondContact O-N 3.1Å; P694-N719 HydrophobicContact CB-CB 4.45Å; P694-N719 WeakPolarHBondContact CB-O 3.39Å; P694-N719 HydrophobicContact CG-CB 3.84Å; P694-P722 HydrophobicContact CB-CG 4.47Å
695	Q	84.3	Confident	92.7	Very high	16 Å²	16	17.4 Å²	17.4	8%	0.075	9%	0.09	C	C	.	.	H	α-helix	trans	-70.3	-35.5	177.2	-61.5	84.4	-9.9	0	0	111.9	K35 L272 S693 L698 I699	K35-Q695 WeakPolarHBondContact O-CG 3.4Å; L272-Q695 HydrophobicContact CD2-CG 4.24Å; S693-Q695 PolarHBondContact O-N 3.35Å; Q695-L698 WeakPolarHBondContact O-CB 3.46Å; Q695-L698 PolarHBondContact O-N 3.14Å; Q695-I699 WeakPolarHBondContact O-CG1 3.07Å; Q695-I699 PolarHBondContact O-N 2.93Å
696	Q	90.3	Very high	92.7	Very high	18 Å²	18	18 Å²	18	8%	0.084	8%	0.083	C	C	.	.	H	α-helix	trans	-68.6	-37.3	174.1	-75.3	172.1	-21.7	0	0	112	G666 L669 T692 S693 L698 I699 I700	G666-Q696 PolarHBondContact O-NE2 2.91Å; L669-Q696 HydrophobicContact CD2-CB 3.92Å; L669-Q696 HydrophobicContact CD2-CG 4.09Å; T692-Q696 HydrophobicContact CG2-CB 4.48Å; S693-Q696 WeakPolarHBondContact O-CA 3.28Å; S693-Q696 WeakPolarHBondContact O-CB 3.06Å; S693-Q696 PolarHBondContact O-N 3.06Å; S693-Q696 WeakPolarHBondContact OG-CG 3.25Å; S693-Q696 PolarHBondContact OG-N 2.72Å; Q696-L698 VanDerWaalsContact C-N 3.28Å; Q696-L698 PolarHBondContact O-N 2.87Å; Q696-I699 PolarHBondContact O-N 3.49Å; Q696-I699 VanDerWaalsContact O-N 3.12Å; Q696-I700 WeakPolarHBondContact O-CD1 3.38Å; Q696-I700 VanDerWaalsContact O-CG1 3.31Å; Q696-I700 WeakPolarHBondContact O-CG1 3.42Å; Q696-I700 PolarHBondContact O-N 3.35Å
697	K	93.6	Very high	92.5	Very high	5 Å²	5	21.5 Å²	21.5	2%	0.022	10%	0.099	C	C	.	.	H	α-helix	trans	-55.8	-45.2	172.3	-54.4	-148.8	177.9	-166.3	0	111.4	D375 V615 S693 P694 I700 V701 D720 A723	D375-K697 IonicContact OD1-NZ 2.73Å; D375-K697 PolarHBondContact OD1-NZ 3.49Å; V615-K697 HydrophobicContact CG1-CB 4.02Å; V615-K697 HydrophobicContact CG1-CD 3.91Å; V615-K697 HydrophobicContact CG1-CG 3.7Å; V615-K697 WeakPolarHBondContact O-CE 3.49Å; V615-K697 PolarHBondContact O-NZ 3.47Å; S693-K697 WeakPolarHBondContact O-CG 3.38Å; S693-K697 PolarHBondContact O-N 3.48Å; P694-K697 PolarHBondContact O-N 3.38Å; K697-I700 PolarHBondContact O-N 2.81Å; K697-V701 WeakPolarHBondContact O-CG2 3.36Å; K697-V701 PolarHBondContact O-N 3.28Å; K697-V701 VanDerWaalsContact O-N 3.14Å; K697-D720 WeakPolarHBondContact CD-OD1 3.43Å; K697-D720 WeakPolarHBondContact CE-OD1 3.26Å; K697-D720 IonicContact NZ-OD1 3.75Å; K697-D720 PolarHBondContact NZ-OD1 2.95Å; K697-A723 HydrophobicContact CB-CB 3.88Å
698	L	91.8	Very high	92.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-45.9	173.9	174	65	0	0	0	112.5	K35 L272 L276 P694 Q695 Q696 I700 V701 E702 P722 K726	K35-L698 HydrophobicContact CG-CD2 4.43Å; L272-L698 HydrophobicContact CD2-CD2 4.3Å; L276-L698 HydrophobicContact CD1-CD1 3.95Å; L276-L698 HydrophobicContact CD1-CD2 4.06Å; L276-L698 HydrophobicContact CD2-CD1 4.32Å; L276-L698 HydrophobicContact CD2-CD2 4.3Å; P694-L698 PolarHBondContact O-N 3.1Å; Q695-L698 WeakPolarHBondContact O-CB 3.46Å; Q695-L698 PolarHBondContact O-N 3.14Å; Q696-L698 VanDerWaalsContact C-N 3.28Å; Q696-L698 PolarHBondContact O-N 2.87Å; L698-I700 VanDerWaalsContact C-N 3.33Å; L698-I700 PolarHBondContact O-N 3.36Å; L698-V701 PolarHBondContact O-N 2.86Å; L698-E702 HydrophobicContact CD1-CG 4.33Å; L698-E702 WeakPolarHBondContact O-CG 3.32Å; L698-E702 PolarHBondContact O-N 3.48Å; L698-P722 HydrophobicContact CB-CB 4.26Å; L698-P722 HydrophobicContact CD2-CB 4.37Å; L698-K726 HydrophobicContact CD1-CB 3.33Å; L698-K726 HydrophobicContact CD1-CD 4.46Å; L698-K726 HydrophobicContact CD1-CG 3.5Å
699	I	91.6	Very high	92.1	Very high	54 Å²	54	24.7 Å²	24.7	28%	0.277	13%	0.13	S	C	.	.	H	α-helix	trans	-62.8	-38.4	179.3	-68.6	163.5	0	0	0	111.8	I677 Q695 Q696 E702 G703	I677-I699 HydrophobicContact CD1-CG2 3.92Å; Q695-I699 WeakPolarHBondContact O-CG1 3.07Å; Q695-I699 PolarHBondContact O-N 2.93Å; Q696-I699 PolarHBondContact O-N 3.49Å; Q696-I699 VanDerWaalsContact O-N 3.12Å; I699-E702 PolarHBondContact O-N 2.9Å; I699-G703 PolarHBondContact O-N 2.84Å
700	I	95	Very high	92.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-43.7	176.6	-67	158.6	0	0	0	110.8	V615 L669 F689 T692 Q696 K697 L698 G703 C704	V615-I700 HydrophobicContact CG1-CD1 3.66Å; V615-I700 HydrophobicContact CG2-CD1 4.39Å; V615-I700 HydrophobicContact CG2-CG2 4.03Å; L669-I700 HydrophobicContact CD2-CD1 3.81Å; L669-I700 HydrophobicContact CD2-CG1 4.1Å; F689-I700 HydrophobicContact CB-CD1 3.75Å; F689-I700 HydrophobicContact CD1-CD1 3.84Å; F689-I700 HydrophobicContact CD1-CG1 4.31Å; F689-I700 HydrophobicContact CD2-CD1 3.72Å; F689-I700 HydrophobicContact CD2-CG1 4.17Å; F689-I700 HydrophobicContact CD2-CG2 3.96Å; F689-I700 HydrophobicContact CE1-CD1 4.35Å; F689-I700 HydrophobicContact CE1-CG1 4.32Å; F689-I700 HydrophobicContact CE2-CD1 4.21Å; F689-I700 HydrophobicContact CE2-CG1 4.15Å; F689-I700 HydrophobicContact CE2-CG2 3.71Å; F689-I700 HydrophobicContact CG-CD1 3.5Å; F689-I700 VanDerWaalsContact CG-CD1 3.5Å; F689-I700 HydrophobicContact CG-CG1 4.24Å; F689-I700 HydrophobicContact CZ-CG1 4.23Å; F689-I700 HydrophobicContact CZ-CG2 4.4Å; T692-I700 HydrophobicContact CG2-CD1 4.12Å; Q696-I700 WeakPolarHBondContact O-CD1 3.38Å; Q696-I700 VanDerWaalsContact O-CG1 3.31Å; Q696-I700 WeakPolarHBondContact O-CG1 3.42Å; Q696-I700 PolarHBondContact O-N 3.35Å; K697-I700 PolarHBondContact O-N 2.81Å; L698-I700 VanDerWaalsContact C-N 3.33Å; L698-I700 PolarHBondContact O-N 3.36Å; I700-G703 PolarHBondContact O-N 3.37Å; I700-C704 PolarHBondContact O-N 2.92Å; I700-C704 PolarHBondContact O-SG 2.85Å; I700-C704 VanDerWaalsContact O-SG 3.38Å
701	V	95.9	Very high	92.4	Very high	2 Å²	2	25 Å²	25	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-46.4	175.7	172.2	0	0	0	0	111	C373 K697 L698 G703 C704 Q705 V711 V713 A723 K726	C373-V701 HydrophobicContact CB-CG2 4.44Å; K697-V701 WeakPolarHBondContact O-CG2 3.36Å; K697-V701 PolarHBondContact O-N 3.28Å; K697-V701 VanDerWaalsContact O-N 3.14Å; L698-V701 PolarHBondContact O-N 2.86Å; V701-G703 PolarHBondContact O-N 3.21Å; V701-C704 PolarHBondContact O-N 2.75Å; V701-Q705 WeakPolarHBondContact O-CG 3.19Å; V701-Q705 PolarHBondContact O-N 2.78Å; V701-V711 HydrophobicContact CG1-CG1 4.18Å; V701-V713 HydrophobicContact CG1-CG2 4.36Å; V701-V713 HydrophobicContact CG2-CG2 3.49Å; V701-V713 VanDerWaalsContact CG2-CG2 3.49Å; V701-A723 HydrophobicContact CG2-CB 4.07Å; V701-K726 HydrophobicContact CG1-CG 4.38Å
702	E	93.9	Very high	92.8	Very high	34 Å²	34	22 Å²	22	16%	0.159	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-37.1	174	-72.8	-177.8	155.2	0	0	111.4	K35 L698 I699 Q705 R706 K726	K35-E702 IonicContact NZ-OE1 2.82Å; K35-E702 PolarHBondContact NZ-OE1 3.49Å; K35-E702 IonicContact NZ-OE2 3.8Å; K35-E702 PolarHBondContact NZ-OE2 3.42Å; L698-E702 HydrophobicContact CD1-CG 4.33Å; L698-E702 WeakPolarHBondContact O-CG 3.32Å; L698-E702 PolarHBondContact O-N 3.48Å; I699-E702 PolarHBondContact O-N 2.9Å; E702-Q705 PolarHBondContact O-N 3.39Å; E702-R706 WeakPolarHBondContact O-CG 3.37Å; E702-R706 PolarHBondContact O-N 3.23Å; E702-K726 HydrophobicContact CG-CD 4.5Å; E702-K726 HydrophobicContact CG-CG 4Å
703	G	94.8	Very high	93.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-43.9	174.3	0	0	0	0	0	113.9	I699 I700 V701 R706	I699-G703 PolarHBondContact O-N 2.84Å; I700-G703 PolarHBondContact O-N 3.37Å; V701-G703 PolarHBondContact O-N 3.21Å; G703-R706 VanDerWaalsContact CA-CZ 3.5Å; G703-R706 VanDerWaalsContact CA-NH2 3.33Å; G703-R706 PolarHBondContact O-N 3.1Å
704	C	96	Very high	93.6	Very high	6 Å²	6	21 Å²	21	4%	0.041	11%	0.114	C	C	.	.	H	α-helix	trans	-63.3	-42.9	174.1	-65.5	0	0	0	0	111.4	I700 V701 R706 Q707 A709 V711	I700-C704 PolarHBondContact O-N 2.92Å; I700-C704 PolarHBondContact O-SG 2.85Å; I700-C704 VanDerWaalsContact O-SG 3.38Å; V701-C704 PolarHBondContact O-N 2.75Å; C704-R706 PolarHBondContact O-N 2.99Å; C704-Q707 PolarHBondContact O-N 3.26Å; C704-A709 WeakPolarHBondContact O-CB 3.3Å; C704-V711 HydrophobicContact CB-CG1 4.43Å; C704-V711 HydrophobicContact CB-CG2 3.48Å; C704-V711 VanDerWaalsContact CB-CG2 3.48Å
705	Q	94.7	Very high	94	Very high	43 Å²	43	20.6 Å²	20.6	20%	0.201	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-36.2	177.1	-73.2	179	-26.3	0	0	113.1	V701 E702 Q707 G708 V711 K726 D728	V701-Q705 WeakPolarHBondContact O-CG 3.19Å; V701-Q705 PolarHBondContact O-N 2.78Å; E702-Q705 PolarHBondContact O-N 3.39Å; Q705-Q707 PolarHBondContact O-N 3.24Å; Q705-G708 PolarHBondContact O-N 3.4Å; Q705-V711 HydrophobicContact CG-CB 4.21Å; Q705-V711 HydrophobicContact CG-CG2 3.72Å; Q705-K726 PolarHBondContact NE2-O 3.29Å; Q705-D728 PolarHBondContact NE2-OD2 3.11Å
706	R	93.9	Very high	94.2	Very high	92 Å²	92	20.2 Å²	20.2	35%	0.347	11%	0.11	S	C	.	.	H	α-helix	trans	-57.8	-28	174.7	-81.3	-167	-55.7	-87.9	4.5	113.2	D678 E702 G703 C704 G708	D678-R706 IonicContact OD1-CZ 2.79Å; D678-R706 IonicContact OD1-NE 3Å; D678-R706 PolarHBondContact OD1-NE 3.45Å; D678-R706 IonicContact OD1-NH2 2.8Å; D678-R706 PolarHBondContact OD1-NH2 3.27Å; D678-R706 IonicContact OD2-CZ 3.82Å; D678-R706 IonicContact OD2-NE 2.75Å; D678-R706 PolarHBondContact OD2-NE 3.47Å; D678-R706 IonicContact OD2-NH2 3.97Å; E702-R706 WeakPolarHBondContact O-CG 3.37Å; E702-R706 PolarHBondContact O-N 3.23Å; G703-R706 VanDerWaalsContact CA-CZ 3.5Å; G703-R706 VanDerWaalsContact CA-NH2 3.33Å; G703-R706 PolarHBondContact O-N 3.1Å; C704-R706 PolarHBondContact O-N 2.99Å; R706-G708 PolarHBondContact O-N 3.36Å
707	Q	91.5	Very high	93.8	Very high	76 Å²	76	19.7 Å²	19.7	36%	0.355	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	1.2	177.2	-51.8	-162.2	8.8	0	0	113.5	D678 C704 Q705 A709	D678-Q707 PolarHBondContact O-NE2 3.5Å; C704-Q707 PolarHBondContact O-N 3.26Å; Q705-Q707 PolarHBondContact O-N 3.24Å; Q707-A709 VanDerWaalsContact C-N 3.29Å
708	G	91.1	Very high	93.2	Very high	48 Å²	48	19.8 Å²	19.8	50%	0.495	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	12.8	-176.1	0	0	0	0	0	114	Q705 R706	Q705-G708 PolarHBondContact O-N 3.4Å; R706-G708 PolarHBondContact O-N 3.36Å
709	A	94.9	Very high	92.9	Very high	19 Å²	19	19.9 Å²	19.9	16%	0.157	11%	0.11	C	C	.	.			trans	-73.6	146.7	171.6	0	0	0	0	0	110.8	S370 C704 Q707 V711	S370-A709 WeakPolarHBondContact OG-CA 3.41Å; S370-A709 WeakPolarHBondContact OG-CB 3.31Å; C704-A709 WeakPolarHBondContact O-CB 3.3Å; Q707-A709 VanDerWaalsContact C-N 3.29Å; A709-V711 HydrophobicContact CB-CG2 4.37Å
710	I	97.2	Very high	92.8	Very high	9 Å²	9	17.4 Å²	17.4	5%	0.046	10%	0.098	C	C	.	.			trans	-89.6	119.9	167.5	-55.6	-50.9	0	0	0	107.2	P282 T365 S368 S370 T371 D728 P838	P282-I710 HydrophobicContact CG-CD1 3.98Å; P282-I710 HydrophobicContact CG-CG1 4.28Å; P282-I710 HydrophobicContact CG-CG2 3.94Å; T365-I710 HydrophobicContact CG2-CG2 4.11Å; S368-I710 WeakPolarHBondContact O-CB 3.47Å; S370-I710 PolarHBondContact N-O 3.12Å; S370-I710 PolarHBondContact OG-N 3.33Å; S370-I710 VanDerWaalsContact OG-N 3.16Å; S370-I710 PolarHBondContact OG-O 3.33Å; T371-I710 PolarHBondContact N-O 2.85Å; T371-I710 VanDerWaalsContact N-O 3.16Å; I710-D728 HydrophobicContact CG2-CB 3.83Å; I710-P838 HydrophobicContact CD1-CB 4.45Å; I710-P838 HydrophobicContact CD1-CG 4.28Å; I710-P838 HydrophobicContact CG1-CG 4.36Å
711	V	97.6	Very high	92.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.8	-168.7	-172.2	0	0	0	0	110.7	T371 V701 C704 Q705 A709 V713 D728 I729	T371-V711 WeakPolarHBondContact O-CA 3.39Å; V701-V711 HydrophobicContact CG1-CG1 4.18Å; C704-V711 HydrophobicContact CB-CG1 4.43Å; C704-V711 HydrophobicContact CB-CG2 3.48Å; C704-V711 VanDerWaalsContact CB-CG2 3.48Å; Q705-V711 HydrophobicContact CG-CB 4.21Å; Q705-V711 HydrophobicContact CG-CG2 3.72Å; A709-V711 HydrophobicContact CB-CG2 4.37Å; V711-V713 HydrophobicContact CG1-CG2 4.49Å; V711-D728 PolarHBondContact N-OD2 2.95Å; V711-D728 PolarHBondContact O-N 3.02Å; V711-I729 PolarHBondContact O-N 2.83Å
712	A	97.8	Very high	92.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.008	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	141.3	165.2	0	0	0	0	0	110	L366 T369 T371 I372 C373 I729	L366-A712 HydrophobicContact CD1-CB 3.9Å; T369-A712 HydrophobicContact CG2-CB 3.63Å; T371-A712 PolarHBondContact O-N 2.88Å; I372-A712 WeakPolarHBondContact CA-O 3.44Å; I372-A712 HydrophobicContact CG1-CB 4.23Å; C373-A712 PolarHBondContact N-O 3.36Å; A712-I729 WeakPolarHBondContact CA-O 3.48Å; A712-I729 HydrophobicContact CB-CG2 3.52Å
713	V	98	Very high	92.1	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.03	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.2	171.8	175.1	0	0	0	0	109.5	C373 V701 V711 A723 L724 A727 I729 V731	C373-V713 HydrophobicContact CB-CG2 4.16Å; C373-V713 VanDerWaalsContact O-CA 3.28Å; C373-V713 WeakPolarHBondContact O-CA 3.35Å; V701-V713 HydrophobicContact CG1-CG2 4.36Å; V701-V713 HydrophobicContact CG2-CG2 3.49Å; V701-V713 VanDerWaalsContact CG2-CG2 3.49Å; V711-V713 HydrophobicContact CG1-CG2 4.49Å; V713-A723 HydrophobicContact CG1-CB 4.08Å; V713-A723 HydrophobicContact CG2-CB 4.41Å; V713-L724 HydrophobicContact CB-CD2 4.13Å; V713-L724 HydrophobicContact CG1-CD2 3.78Å; V713-L724 HydrophobicContact CG1-CG 3.99Å; V713-L724 WeakPolarHBondContact O-CD2 3.4Å; V713-A727 HydrophobicContact CB-CB 3.92Å; V713-A727 HydrophobicContact CG2-CB 3.6Å; V713-I729 PolarHBondContact N-O 3.37Å; V713-V731 PolarHBondContact O-N 3.39Å
714	T	96.6	Very high	92	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.025	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.1	175.4	48.2	0	0	0	0	109.6	C373 S374 D375 V731 F754 I757	C373-T714 PolarHBondContact O-N 3.25Å; S374-T714 WeakPolarHBondContact CA-O 3.39Å; S374-T714 VanDerWaalsContact CA-OG1 3.27Å; S374-T714 WeakPolarHBondContact CA-OG1 3.26Å; S374-T714 WeakPolarHBondContact CB-OG1 3.3Å; S374-T714 PolarHBondContact OG-OG1 3.44Å; D375-T714 PolarHBondContact N-O 3.49Å; T714-V731 WeakPolarHBondContact CA-O 3.38Å; T714-V731 HydrophobicContact CG2-CB 3.76Å; T714-V731 HydrophobicContact CG2-CG1 4.16Å; T714-V731 HydrophobicContact CG2-CG2 4.21Å; T714-F754 HydrophobicContact CG2-CE2 4.37Å; T714-I757 HydrophobicContact CG2-CD1 3.49Å; T714-I757 VanDerWaalsContact CG2-CD1 3.49Å; T714-I757 HydrophobicContact CG2-CG1 4.27Å
715	G	93.4	Very high	91.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	168.8	-173.3	0	0	0	0	0	114	T379 D720 V731 A732 M733	T379-G715 VanDerWaalsContact OG1-CA 3.26Å; T379-G715 WeakPolarHBondContact OG1-CA 3.41Å; G715-D720 WeakPolarHBondContact CA-OD2 3.46Å; G715-V731 PolarHBondContact N-O 2.95Å; G715-V731 VanDerWaalsContact N-O 3.09Å; G715-A732 WeakPolarHBondContact O-CA 3.45Å; G715-M733 PolarHBondContact O-N 3.12Å
716	D	87.8	Confident	91.5	Very high	9 Å²	9	19 Å²	19	5%	0.048	10%	0.103	C	C	.	.			trans	-132.7	-42.4	-178.7	79.6	-38.4	0	0	0	112	T379 D720 M733 G737 S738 S741	T379-D716 PolarHBondContact OG1-N 3.25Å; D716-D720 PolarHBondContact N-OD2 3.04Å; D716-M733 HydrophobicContact CB-CB 4.02Å; D716-M733 HydrophobicContact CB-CG 3.82Å; D716-G737 CarbonylContact O-C 3.27Å; D716-G737 WeakPolarHBondContact O-CA 3.43Å; D716-S738 PolarHBondContact O-N 3.42Å; D716-S738 PolarHBondContact O-OG 2.86Å; D716-S738 VanDerWaalsContact O-OG 3.11Å; D716-S741 WeakPolarHBondContact O-CB 3.45Å; D716-S741 PolarHBondContact O-OG 3.24Å
717	G	82.7	Confident	91.6	Very high	7 Å²	7	15.2 Å²	15.2	7%	0.072	9%	0.091	C	C	.	.	S	Bend	trans	-75.6	168.7	-177.6	0	0	0	0	0	115.1	N719 D720 S741	G717-N719 VanDerWaalsContact C-N 3.27Å; G717-N719 WeakPolarHBondContact CA-OD1 3.42Å; G717-N719 PolarHBondContact O-N 3.39Å; G717-D720 PolarHBondContact N-OD2 3.15Å; G717-D720 PolarHBondContact O-N 3.47Å; G717-S741 WeakPolarHBondContact O-CB 3.32Å
718	V	81.4	Confident	91.8	Very high	6 Å²	6	12.6 Å²	12.6	4%	0.036	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-71.8	-27.8	179.1	-177.4	0	0	0	0	111	S216 M266 I269 D720 S721 S738 V740	S216-V718 WeakPolarHBondContact O-CB 3.32Å; S216-V718 PolarHBondContact O-N 2.81Å; M266-V718 HydrophobicContact CE-CB 3.65Å; M266-V718 HydrophobicContact CE-CG1 3.73Å; M266-V718 HydrophobicContact CE-CG2 3.68Å; M266-V718 HydrophobicContact SD-CB 4.06Å; M266-V718 HydrophobicContact SD-CG1 3.8Å; I269-V718 HydrophobicContact CG2-CG1 4.28Å; V718-D720 PolarHBondContact O-N 3.02Å; V718-S721 WeakPolarHBondContact CA-OG 3.47Å; V718-S721 VanDerWaalsContact O-CB 3.3Å; V718-S721 WeakPolarHBondContact O-CB 3.4Å; V718-S721 PolarHBondContact O-N 3.08Å; V718-S721 VanDerWaalsContact O-N 3.08Å; V718-S721 PolarHBondContact O-OG 3.28Å; V718-S738 WeakPolarHBondContact CG2-OG 3.17Å; V718-V740 HydrophobicContact CG1-CB 3.99Å; V718-V740 HydrophobicContact CG1-CG1 4.08Å; V718-V740 HydrophobicContact CG1-CG2 4.07Å; V718-V740 HydrophobicContact CG2-CB 4.06Å; V718-V740 HydrophobicContact CG2-CG2 3.93Å
719	N	84.6	Confident	92	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.011	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-52.4	-29.1	168.1	61.5	-28.7	0	0	0	114.4	S216 L217 G219 P694 G717	S216-N719 PolarHBondContact O-N 2.9Å; L217-N719 WeakPolarHBondContact O-CB 3.41Å; G219-N719 PolarHBondContact N-ND2 2.94Å; P694-N719 HydrophobicContact CB-CB 4.45Å; P694-N719 WeakPolarHBondContact CB-O 3.39Å; P694-N719 HydrophobicContact CG-CB 3.84Å; G717-N719 VanDerWaalsContact C-N 3.27Å; G717-N719 WeakPolarHBondContact CA-OD1 3.42Å; G717-N719 PolarHBondContact O-N 3.39Å
720	D	90.8	Very high	92	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.011	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-82.3	-18.9	178.9	-63.4	-36	0	0	0	113.3	K697 G715 D716 G717 V718 A723 L724	K697-D720 WeakPolarHBondContact CD-OD1 3.43Å; K697-D720 WeakPolarHBondContact CE-OD1 3.26Å; K697-D720 IonicContact NZ-OD1 3.75Å; K697-D720 PolarHBondContact NZ-OD1 2.95Å; G715-D720 WeakPolarHBondContact CA-OD2 3.46Å; D716-D720 PolarHBondContact N-OD2 3.04Å; G717-D720 PolarHBondContact N-OD2 3.15Å; G717-D720 PolarHBondContact O-N 3.47Å; V718-D720 PolarHBondContact O-N 3.02Å; D720-A723 WeakPolarHBondContact O-CB 3.47Å; D720-A723 PolarHBondContact O-N 3.35Å; D720-L724 HydrophobicContact CB-CD1 3.77Å; D720-L724 HydrophobicContact CB-CG 4.09Å; D720-L724 WeakPolarHBondContact O-CB 3.34Å; D720-L724 WeakPolarHBondContact O-CG 3.36Å; D720-L724 PolarHBondContact O-N 2.85Å
721	S	87.1	Confident	92	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-52.7	-43.8	-171.6	-41.9	0	0	0	0	114.5	T273 V718 A723 K725 V740	T273-S721 WeakPolarHBondContact OG1-CB 3.39Å; V718-S721 WeakPolarHBondContact CA-OG 3.47Å; V718-S721 VanDerWaalsContact O-CB 3.3Å; V718-S721 WeakPolarHBondContact O-CB 3.4Å; V718-S721 PolarHBondContact O-N 3.08Å; V718-S721 VanDerWaalsContact O-N 3.08Å; V718-S721 PolarHBondContact O-OG 3.28Å; S721-A723 PolarHBondContact O-N 3.26Å; S721-K725 VanDerWaalsContact O-CB 3.26Å; S721-K725 WeakPolarHBondContact O-CB 3.29Å; S721-K725 PolarHBondContact O-N 3.35Å; S721-V740 WeakPolarHBondContact OG-CG1 3.44Å
722	P	88.6	Confident	91.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.1	-39.4	176.8	-20.7	33.6	0	0	0	112.7	I269 L272 L276 P694 L698 K726	I269-P722 HydrophobicContact CG2-CG 3.91Å; L272-P722 HydrophobicContact CD2-CB 4.32Å; L272-P722 HydrophobicContact CD2-CG 4.34Å; L276-P722 HydrophobicContact CD1-CB 4.14Å; P694-P722 HydrophobicContact CB-CG 4.47Å; L698-P722 HydrophobicContact CB-CB 4.26Å; L698-P722 HydrophobicContact CD2-CB 4.37Å; P722-K726 WeakPolarHBondContact O-CB 3.37Å; P722-K726 PolarHBondContact O-N 3.38Å; P722-K726 VanDerWaalsContact O-N 3.14Å
723	A	93.5	Very high	91.5	Very high	2 Å²	2	9.1 Å²	9.1	2%	0.017	5%	0.047	C	C	.	.	H	α-helix	trans	-70.1	-46.9	178.8	0	0	0	0	0	111.2	K697 V701 V713 D720 S721 K725 K726 A727	K697-A723 HydrophobicContact CB-CB 3.88Å; V701-A723 HydrophobicContact CG2-CB 4.07Å; V713-A723 HydrophobicContact CG1-CB 4.08Å; V713-A723 HydrophobicContact CG2-CB 4.41Å; D720-A723 WeakPolarHBondContact O-CB 3.47Å; D720-A723 PolarHBondContact O-N 3.35Å; S721-A723 PolarHBondContact O-N 3.26Å; A723-K725 PolarHBondContact O-N 3.39Å; A723-K726 PolarHBondContact O-N 2.87Å; A723-A727 WeakPolarHBondContact O-CB 3.34Å; A723-A727 PolarHBondContact O-N 3.02Å
724	L	92.7	Very high	90.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-54.4	-40.6	173.8	-74.9	167.8	0	0	0	112.1	V713 D720 G730 V731 A744 A745	V713-L724 HydrophobicContact CB-CD2 4.13Å; V713-L724 HydrophobicContact CG1-CD2 3.78Å; V713-L724 HydrophobicContact CG1-CG 3.99Å; V713-L724 WeakPolarHBondContact O-CD2 3.4Å; D720-L724 HydrophobicContact CB-CD1 3.77Å; D720-L724 HydrophobicContact CB-CG 4.09Å; D720-L724 WeakPolarHBondContact O-CB 3.34Å; D720-L724 WeakPolarHBondContact O-CG 3.36Å; D720-L724 PolarHBondContact O-N 2.85Å; L724-G730 WeakPolarHBondContact O-CA 3.3Å; L724-V731 WeakPolarHBondContact CD2-O 3.31Å; L724-A744 HydrophobicContact CB-CB 4.21Å; L724-A745 HydrophobicContact CD2-CB 4.32Å
725	K	88.8	Confident	90.3	Very high	56 Å²	56	15.4 Å²	15.4	24%	0.243	8%	0.083	C	C	.	.	H	α-helix	trans	-77.5	-26.4	-178.1	-170.8	54.8	168.2	175.6	0	114.1	T273 L276 T278 S721 A723 A744	T273-K725 HydrophobicContact CG2-CB 3.88Å; T273-K725 HydrophobicContact CG2-CG 4.1Å; T273-K725 WeakPolarHBondContact O-CG 3.45Å; L276-K725 HydrophobicContact CB-CG 4.25Å; T278-K725 HydrophobicContact CG2-CD 3.97Å; T278-K725 VanDerWaalsContact CG2-NZ 3.27Å; S721-K725 VanDerWaalsContact O-CB 3.26Å; S721-K725 WeakPolarHBondContact O-CB 3.29Å; S721-K725 PolarHBondContact O-N 3.35Å; A723-K725 PolarHBondContact O-N 3.39Å; K725-A744 HydrophobicContact CB-CB 4.39Å
726	K	92.6	Very high	89.6	Confident	61 Å²	61	17.3 Å²	17.3	27%	0.265	10%	0.097	S	C	.	.	H	α-helix	trans	-89.1	-25.1	178.8	-175.9	56.5	173.2	174.9	0	113.4	L698 V701 E702 Q705 P722 A723	L698-K726 HydrophobicContact CD1-CB 3.33Å; L698-K726 HydrophobicContact CD1-CD 4.46Å; L698-K726 HydrophobicContact CD1-CG 3.5Å; V701-K726 HydrophobicContact CG1-CG 4.38Å; E702-K726 HydrophobicContact CG-CD 4.5Å; E702-K726 HydrophobicContact CG-CG 4Å; Q705-K726 PolarHBondContact NE2-O 3.29Å; P722-K726 WeakPolarHBondContact O-CB 3.37Å; P722-K726 PolarHBondContact O-N 3.38Å; P722-K726 VanDerWaalsContact O-N 3.14Å; A723-K726 PolarHBondContact O-N 2.87Å
727	A	95.4	Very high	89.3	Confident	12 Å²	12	17.1 Å²	17.1	10%	0.099	10%	0.097	C	C	.	.	S	Bend	trans	-50.8	156.6	173.8	0	0	0	0	0	112	V713 A723 I729	V713-A727 HydrophobicContact CB-CB 3.92Å; V713-A727 HydrophobicContact CG2-CB 3.6Å; A723-A727 WeakPolarHBondContact O-CB 3.34Å; A723-A727 PolarHBondContact O-N 3.02Å; A727-I729 WeakPolarHBondContact CB-O 3.47Å
728	D	95.2	Very high	89.1	Confident	22 Å²	22	18 Å²	18	12%	0.118	10%	0.103	C	C	.	.	S	Bend	trans	-69.3	-28.3	168.6	-59.8	-89.3	0	0	0	110.4	R285 T365 Q705 I710 V711	R285-D728 IonicContact NH2-OD1 3.79Å; T365-D728 HydrophobicContact CG2-CB 3.96Å; T365-D728 WeakPolarHBondContact CG2-O 3.34Å; Q705-D728 PolarHBondContact NE2-OD2 3.11Å; I710-D728 HydrophobicContact CG2-CB 3.83Å; V711-D728 PolarHBondContact N-OD2 2.95Å; V711-D728 PolarHBondContact O-N 3.02Å
729	I	95.4	Very high	88.7	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	121.4	165.4	-177.1	175	0	0	0	111.3	A362 T365 L366 V711 A712 V713 A727 V731 D746 M747	A362-I729 HydrophobicContact CB-CD1 3.8Å; A362-I729 HydrophobicContact CB-CG1 4.06Å; A362-I729 WeakPolarHBondContact O-CD1 3.45Å; T365-I729 HydrophobicContact CG2-CB 3.79Å; T365-I729 HydrophobicContact CG2-CG2 3.85Å; L366-I729 HydrophobicContact CB-CD1 4.04Å; L366-I729 HydrophobicContact CD1-CD1 4.13Å; L366-I729 HydrophobicContact CD1-CG2 3.89Å; V711-I729 PolarHBondContact O-N 2.83Å; A712-I729 WeakPolarHBondContact CA-O 3.48Å; A712-I729 HydrophobicContact CB-CG2 3.52Å; V713-I729 PolarHBondContact N-O 3.37Å; A727-I729 WeakPolarHBondContact CB-O 3.47Å; I729-V731 HydrophobicContact CD1-CG2 4.49Å; I729-V731 HydrophobicContact CG1-CG2 4.3Å; I729-D746 HydrophobicContact CG1-CB 4.18Å; I729-M747 HydrophobicContact CD1-CB 4.41Å; I729-M747 HydrophobicContact CD1-SD 4.31Å
730	G	95.4	Very high	88.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.7	167.7	0	0	0	0	0	112	L724 A745 D746 M747	L724-G730 WeakPolarHBondContact O-CA 3.3Å; G730-A745 WeakPolarHBondContact O-CB 3.3Å; G730-D746 PolarHBondContact N-OD2 3.4Å; G730-D746 PolarHBondContact O-N 3.04Å; G730-M747 PolarHBondContact O-N 2.87Å
731	V	96.1	Very high	87.9	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.6	178.6	-173.6	0	0	0	0	109.8	V713 T714 G715 L724 I729 M747 L749	V713-V731 PolarHBondContact O-N 3.39Å; T714-V731 WeakPolarHBondContact CA-O 3.38Å; T714-V731 HydrophobicContact CG2-CB 3.76Å; T714-V731 HydrophobicContact CG2-CG1 4.16Å; T714-V731 HydrophobicContact CG2-CG2 4.21Å; G715-V731 PolarHBondContact N-O 2.95Å; G715-V731 VanDerWaalsContact N-O 3.09Å; L724-V731 WeakPolarHBondContact CD2-O 3.31Å; I729-V731 HydrophobicContact CD1-CG2 4.49Å; I729-V731 HydrophobicContact CG1-CG2 4.3Å; V731-M747 WeakPolarHBondContact CA-O 3.49Å; V731-M747 HydrophobicContact CB-CE 4.35Å; V731-M747 HydrophobicContact CG1-CE 3.71Å; V731-M747 HydrophobicContact CG2-CB 4.4Å; V731-M747 HydrophobicContact CG2-CE 3.7Å; V731-L749 HydrophobicContact CG1-CD1 4Å; V731-L749 HydrophobicContact CG1-CD2 4.09Å; V731-L749 HydrophobicContact CG1-CG 3.82Å
732	A	93.1	Very high	87.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	147.6	179.7	0	0	0	0	0	112.9	G715 K742 A745 M747 I748 L749	G715-A732 WeakPolarHBondContact O-CA 3.45Å; A732-K742 HydrophobicContact CB-CG 4.16Å; A732-A745 HydrophobicContact CB-CB 3.62Å; A732-M747 PolarHBondContact N-O 2.88Å; A732-I748 WeakPolarHBondContact O-CA 3.29Å; A732-L749 PolarHBondContact O-N 3.01Å
733	M	91.7	Very high	87.2	Confident	2 Å²	2	29 Å²	29	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.2	170.5	-53.8	-56	-86.5	0	0	110.6	T379 G715 D716 S736 G737 K742 L749 D752	T379-M733 HydrophobicContact CG2-SD 4.47Å; G715-M733 PolarHBondContact O-N 3.12Å; D716-M733 HydrophobicContact CB-CB 4.02Å; D716-M733 HydrophobicContact CB-CG 3.82Å; M733-S736 VanDerWaalsContact CB-OG 3.22Å; M733-S736 WeakPolarHBondContact CB-OG 3.46Å; M733-G737 WeakPolarHBondContact O-CA 3.28Å; M733-G737 PolarHBondContact O-N 3.43Å; M733-K742 WeakPolarHBondContact O-CE 3.21Å; M733-L749 HydrophobicContact SD-CD1 4.19Å; M733-D752 HydrophobicContact CE-CB 3.77Å; M733-D752 VanDerWaalsContact CE-O 3.23Å; M733-D752 WeakPolarHBondContact CE-O 3.24Å
734	G	86.1	Confident	86.7	Confident	18 Å²	18	29.2 Å²	29.2	19%	0.186	16%	0.16	C	C	.	.	S	Bend	trans	-82.1	-31.9	-171.9	0	0	0	0	0	114.4	K742 L749 D752	G734-K742 WeakPolarHBondContact O-CE 3.49Å; G734-K742 PolarHBondContact O-NZ 3.48Å; G734-L749 VanDerWaalsContact CA-O 3.24Å; G734-L749 WeakPolarHBondContact CA-O 3.4Å; G734-L749 PolarHBondContact N-O 3.35Å; G734-D752 PolarHBondContact N-OD1 2.93Å
735	I	83.8	Confident	86.6	Confident	123 Å²	123	29.3 Å²	29.3	63%	0.631	16%	0.161	S	C	*	.	S	Bend	trans	-101	-60.7	-178.8	-51.7	174.7	0	0	0	109.4	G737 D752	I735-G737 VanDerWaalsContact C-N 3.34Å; I735-G737 PolarHBondContact O-N 2.74Å; I735-D752 PolarHBondContact N-OD1 3.35Å
736	S	79.5	Confident	86.6	Confident	40 Å²	40	27.6 Å²	27.6	28%	0.28	16%	0.155	S	C	.	.	S	Bend	trans	-67.9	-28.1	179.7	46.5	0	0	0	0	114.2	R595 M733 D752	R595-S736 PolarHBondContact NH2-OG 3.17Å; M733-S736 VanDerWaalsContact CB-OG 3.22Å; M733-S736 WeakPolarHBondContact CB-OG 3.46Å; S736-D752 VanDerWaalsContact CB-OD2 3.28Å; S736-D752 WeakPolarHBondContact CB-OD2 3.29Å; S736-D752 PolarHBondContact N-OD2 2.92Å; S736-D752 PolarHBondContact OG-OD2 3.24Å
737	G	81.4	Confident	86.5	Confident	6 Å²	6	24.8 Å²	24.8	6%	0.062	14%	0.142	C	C	.	.	S	Bend	trans	-64.7	142	-175.6	0	0	0	0	0	114.4	D716 M733 I735 K742	D716-G737 CarbonylContact O-C 3.27Å; D716-G737 WeakPolarHBondContact O-CA 3.43Å; M733-G737 WeakPolarHBondContact O-CA 3.28Å; M733-G737 PolarHBondContact O-N 3.43Å; I735-G737 VanDerWaalsContact C-N 3.34Å; I735-G737 PolarHBondContact O-N 2.74Å; G737-K742 WeakPolarHBondContact O-CE 3.45Å; G737-K742 PolarHBondContact O-NZ 3.01Å
738	S	77.4	Confident	86.3	Confident	26 Å²	26	24.7 Å²	24.7	18%	0.182	14%	0.14	C	C	.	.			trans	-64.4	156.8	167.6	68.7	0	0	0	0	112.2	D716 V718 V740 S741 K742	D716-S738 PolarHBondContact O-N 3.42Å; D716-S738 PolarHBondContact O-OG 2.86Å; D716-S738 VanDerWaalsContact O-OG 3.11Å; V718-S738 WeakPolarHBondContact CG2-OG 3.17Å; S738-V740 PolarHBondContact O-N 3.4Å; S738-S741 PolarHBondContact N-OG 3.28Å; S738-S741 PolarHBondContact O-N 3.23Å; S738-S741 PolarHBondContact O-OG 3.18Å; S738-S741 PolarHBondContact OG-N 2.7Å; S738-S741 PolarHBondContact OG-OG 3.34Å; S738-K742 WeakPolarHBondContact O-CD 3.4Å; S738-K742 WeakPolarHBondContact O-CG 3.44Å; S738-K742 PolarHBondContact O-N 3.46Å; S738-K742 VanDerWaalsContact O-N 3.13Å
739	D	73.4	Confident	86.2	Confident	78 Å²	78	23.6 Å²	23.6	42%	0.417	14%	0.135	S	C	.	.	H	α-helix	trans	-65.7	-26.8	177.1	-59.7	-47.8	0	0	0	112.5	Q743	D739-Q743 VanDerWaalsContact O-CB 3.31Å; D739-Q743 WeakPolarHBondContact O-CB 3.41Å; D739-Q743 VanDerWaalsContact O-CG 3.24Å; D739-Q743 WeakPolarHBondContact O-CG 3.21Å; D739-Q743 PolarHBondContact O-N 2.92Å
740	V	76.1	Confident	85.9	Confident	49 Å²	49	27.3 Å²	27.3	30%	0.297	15%	0.154	S	C	.	.	H	α-helix	trans	-71.2	-43.9	177.5	-165.2	0	0	0	0	110.9	V718 S721 S738 Q743 A744	V718-V740 HydrophobicContact CG1-CB 3.99Å; V718-V740 HydrophobicContact CG1-CG1 4.08Å; V718-V740 HydrophobicContact CG1-CG2 4.07Å; V718-V740 HydrophobicContact CG2-CB 4.06Å; V718-V740 HydrophobicContact CG2-CG2 3.93Å; S721-V740 WeakPolarHBondContact OG-CG1 3.44Å; S738-V740 PolarHBondContact O-N 3.4Å; V740-Q743 PolarHBondContact O-N 2.72Å; V740-A744 WeakPolarHBondContact O-CB 3.19Å; V740-A744 PolarHBondContact O-N 3.44Å
741	S	82.3	Confident	85.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-43.1	176.9	65.9	0	0	0	0	111.6	D716 G717 S738 Q743 A744 A745	D716-S741 WeakPolarHBondContact O-CB 3.45Å; D716-S741 PolarHBondContact O-OG 3.24Å; G717-S741 WeakPolarHBondContact O-CB 3.32Å; S738-S741 PolarHBondContact N-OG 3.28Å; S738-S741 PolarHBondContact O-N 3.23Å; S738-S741 PolarHBondContact O-OG 3.18Å; S738-S741 PolarHBondContact OG-N 2.7Å; S738-S741 PolarHBondContact OG-OG 3.34Å; S741-Q743 VanDerWaalsContact C-N 3.29Å; S741-Q743 PolarHBondContact O-N 3.25Å; S741-A744 PolarHBondContact O-N 2.87Å; S741-A745 VanDerWaalsContact O-CB 3.31Å; S741-A745 WeakPolarHBondContact O-CB 3.48Å; S741-A745 PolarHBondContact O-N 3.04Å
742	K	82.9	Confident	85.2	Confident	32 Å²	32	30.3 Å²	30.3	14%	0.139	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-35.6	172.6	-69.4	164.5	178.2	165	0	113	K358 A732 M733 G734 G737 S738 I748	K358-K742 PolarHBondContact NZ-O 2.98Å; A732-K742 HydrophobicContact CB-CG 4.16Å; M733-K742 WeakPolarHBondContact O-CE 3.21Å; G734-K742 WeakPolarHBondContact O-CE 3.49Å; G734-K742 PolarHBondContact O-NZ 3.48Å; G737-K742 WeakPolarHBondContact O-CE 3.45Å; G737-K742 PolarHBondContact O-NZ 3.01Å; S738-K742 WeakPolarHBondContact O-CD 3.4Å; S738-K742 WeakPolarHBondContact O-CG 3.44Å; S738-K742 PolarHBondContact O-N 3.46Å; S738-K742 VanDerWaalsContact O-N 3.13Å; K742-I748 HydrophobicContact CB-CD1 4.09Å; K742-I748 HydrophobicContact CG-CD1 4.41Å
743	Q	79.1	Confident	85	Confident	80 Å²	80	33.1 Å²	33.1	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-76.5	-35.1	174.9	-77	-178.9	46.4	0	0	112.8	M157 K358 D739 V740 S741	M157-Q743 HydrophobicContact CG-CG 4.22Å; M157-Q743 HydrophobicContact SD-CG 3.82Å; K358-Q743 VanDerWaalsContact NZ-C 3.33Å; K358-Q743 PolarHBondContact NZ-O 3.39Å; D739-Q743 VanDerWaalsContact O-CB 3.31Å; D739-Q743 WeakPolarHBondContact O-CB 3.41Å; D739-Q743 VanDerWaalsContact O-CG 3.24Å; D739-Q743 WeakPolarHBondContact O-CG 3.21Å; D739-Q743 PolarHBondContact O-N 2.92Å; V740-Q743 PolarHBondContact O-N 2.72Å; S741-Q743 VanDerWaalsContact C-N 3.29Å; S741-Q743 PolarHBondContact O-N 3.25Å
744	A	82.7	Confident	84.8	Confident	7 Å²	7	33.1 Å²	33.1	6%	0.058	19%	0.185	C	C	.	.	H	α-helix	trans	-71.5	-41	178.3	0	0	0	0	0	113.6	T273 L724 K725 V740 S741	T273-A744 HydrophobicContact CG2-CB 3.92Å; L724-A744 HydrophobicContact CB-CB 4.21Å; K725-A744 HydrophobicContact CB-CB 4.39Å; V740-A744 WeakPolarHBondContact O-CB 3.19Å; V740-A744 PolarHBondContact O-N 3.44Å; S741-A744 PolarHBondContact O-N 2.87Å
745	A	89.3	Confident	85.1	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.017	19%	0.185	C	C	.	.			trans	-67.5	161.2	-177.5	0	0	0	0	0	114.3	K358 L724 G730 A732 S741	K358-A745 VanDerWaalsContact CD-O 3.3Å; K358-A745 WeakPolarHBondContact CD-O 3.48Å; K358-A745 VanDerWaalsContact CE-O 3.24Å; K358-A745 WeakPolarHBondContact CE-O 3.37Å; K358-A745 PolarHBondContact NZ-O 2.91Å; L724-A745 HydrophobicContact CD2-CB 4.32Å; G730-A745 WeakPolarHBondContact O-CB 3.3Å; A732-A745 HydrophobicContact CB-CB 3.62Å; S741-A745 VanDerWaalsContact O-CB 3.31Å; S741-A745 WeakPolarHBondContact O-CB 3.48Å; S741-A745 PolarHBondContact O-N 3.04Å
746	D	89.5	Confident	85.5	Confident	20 Å²	20	27.9 Å²	27.9	11%	0.107	16%	0.157	C	C	.	.	S	Bend	trans	-95.8	-17.8	173.8	-56.6	-78.2	0	0	0	112.9	K358 N359 A362 I729 G730	K358-D746 WeakPolarHBondContact CA-O 3.45Å; K358-D746 VanDerWaalsContact CB-O 3.29Å; K358-D746 WeakPolarHBondContact CB-O 3.4Å; K358-D746 PolarHBondContact N-O 2.8Å; N359-D746 HydrophobicContact CB-CB 4.47Å; N359-D746 PolarHBondContact ND2-OD1 3.26Å; A362-D746 HydrophobicContact CB-CB 3.86Å; I729-D746 HydrophobicContact CG1-CB 4.18Å; G730-D746 PolarHBondContact N-OD2 3.4Å; G730-D746 PolarHBondContact O-N 3.04Å
747	M	90.7	Very high	86.2	Confident	2 Å²	2	26 Å²	26	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.8	-176.1	-166.3	170.4	81.8	0	0	110.6	C355 L356 V357 L366 I729 G730 V731 A732 L749	C355-M747 PolarHBondContact SG-SD 2.82Å; L356-M747 CarbonylContact O-C 3.5Å; L356-M747 WeakPolarHBondContact O-CA 3.07Å; L356-M747 WeakPolarHBondContact O-CG 3.24Å; V357-M747 HydrophobicContact CG2-CG 4.02Å; V357-M747 HydrophobicContact CG2-SD 4.09Å; L366-M747 HydrophobicContact CD2-CE 3.68Å; L366-M747 HydrophobicContact CD2-SD 4.43Å; I729-M747 HydrophobicContact CD1-CB 4.41Å; I729-M747 HydrophobicContact CD1-SD 4.31Å; G730-M747 PolarHBondContact O-N 2.87Å; V731-M747 WeakPolarHBondContact CA-O 3.49Å; V731-M747 HydrophobicContact CB-CE 4.35Å; V731-M747 HydrophobicContact CG1-CE 3.71Å; V731-M747 HydrophobicContact CG2-CB 4.4Å; V731-M747 HydrophobicContact CG2-CE 3.7Å; A732-M747 PolarHBondContact N-O 2.88Å; M747-L749 HydrophobicContact CE-CD2 4.08Å
748	I	91.4	Very high	86.9	Confident	10 Å²	10	26.5 Å²	26.5	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129	-178.3	-58.2	176.7	0	0	0	109.8	M157 L356 K358 A732 K742 L750	M157-I748 HydrophobicContact CE-CD1 3.63Å; L356-I748 HydrophobicContact CB-CB 4.48Å; L356-I748 PolarHBondContact N-O 3.2Å; L356-I748 PolarHBondContact O-N 3.1Å; K358-I748 HydrophobicContact CD-CD1 4.14Å; K358-I748 HydrophobicContact CD-CG1 4.37Å; A732-I748 WeakPolarHBondContact O-CA 3.29Å; K742-I748 HydrophobicContact CB-CD1 4.09Å; K742-I748 HydrophobicContact CG-CD1 4.41Å; I748-L750 HydrophobicContact CG2-CD2 4.03Å; I748-L750 PolarHBondContact O-N 3.44Å
749	L	93.1	Very high	87.6	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	95.1	175.9	-53.1	-174	0	0	0	109.3	C355 V731 A732 M733 G734 M747 D751 D752 I757	C355-L749 HydrophobicContact CB-CD2 4.41Å; V731-L749 HydrophobicContact CG1-CD1 4Å; V731-L749 HydrophobicContact CG1-CD2 4.09Å; V731-L749 HydrophobicContact CG1-CG 3.82Å; A732-L749 PolarHBondContact O-N 3.01Å; M733-L749 HydrophobicContact SD-CD1 4.19Å; G734-L749 VanDerWaalsContact CA-O 3.24Å; G734-L749 WeakPolarHBondContact CA-O 3.4Å; G734-L749 PolarHBondContact N-O 3.35Å; M747-L749 HydrophobicContact CE-CD2 4.08Å; L749-D751 PolarHBondContact O-N 3.35Å; L749-D751 VanDerWaalsContact O-N 3.13Å; L749-D752 PolarHBondContact O-N 3.47Å; L749-D752 VanDerWaalsContact O-N 3.14Å; L749-I757 HydrophobicContact CD1-CD1 4.36Å; L749-I757 HydrophobicContact CD1-CG1 4.16Å
750	L	88.8	Confident	88.6	Confident	78 Å²	78	23.3 Å²	23.3	41%	0.408	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.9	-170.3	-61.2	175.9	0	0	0	114.2	N354 L356 I748	N354-L750 HydrophobicContact CB-CB 4.25Å; N354-L750 WeakPolarHBondContact O-CB 3.44Å; N354-L750 WeakPolarHBondContact O-CG 3.38Å; N354-L750 PolarHBondContact O-N 3.31Å; L356-L750 HydrophobicContact CB-CD1 4.07Å; L356-L750 HydrophobicContact CB-CD2 4.28Å; L356-L750 HydrophobicContact CB-CG 4.06Å; L356-L750 HydrophobicContact CD2-CD2 4.2Å; I748-L750 HydrophobicContact CG2-CD2 4.03Å; I748-L750 PolarHBondContact O-N 3.44Å
751	D	88.6	Confident	89.5	Confident	54 Å²	54	21 Å²	21	29%	0.289	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	7.6	179.9	61.5	-2.6	0	0	0	113.8	N354 L749 N753	N354-D751 HydrophobicContact CB-CB 3.93Å; N354-D751 VanDerWaalsContact CB-CG 3.45Å; N354-D751 WeakPolarHBondContact CB-OD2 3.15Å; N354-D751 PolarHBondContact ND2-OD2 2.71Å; L749-D751 PolarHBondContact O-N 3.35Å; L749-D751 VanDerWaalsContact O-N 3.13Å; D751-N753 PolarHBondContact O-N 2.89Å; D751-N753 VanDerWaalsContact O-N 3.12Å; D751-N753 WeakPolarHBondContact OD1-CB 3.19Å; D751-N753 PolarHBondContact OD1-N 3.27Å; D751-N753 VanDerWaalsContact OD1-N 3.14Å
752	D	89.1	Confident	90.2	Very high	9 Å²	9	24.9 Å²	24.9	5%	0.048	13%	0.133	C	C	.	.			trans	55	20.7	-174.2	-77	15.8	0	0	0	114.5	R595 M733 G734 I735 S736 L749 F754	R595-D752 IonicContact CZ-OD2 3.94Å; R595-D752 IonicContact NH1-OD2 2.69Å; R595-D752 IonicContact NH2-OD2 3.85Å; R595-D752 PolarHBondContact NH2-OD2 2.79Å; M733-D752 HydrophobicContact CE-CB 3.77Å; M733-D752 VanDerWaalsContact CE-O 3.23Å; M733-D752 WeakPolarHBondContact CE-O 3.24Å; G734-D752 PolarHBondContact N-OD1 2.93Å; I735-D752 PolarHBondContact N-OD1 3.35Å; S736-D752 VanDerWaalsContact CB-OD2 3.28Å; S736-D752 WeakPolarHBondContact CB-OD2 3.29Å; S736-D752 PolarHBondContact N-OD2 2.92Å; S736-D752 PolarHBondContact OG-OD2 3.24Å; L749-D752 PolarHBondContact O-N 3.47Å; L749-D752 VanDerWaalsContact O-N 3.14Å; D752-F754 PolarHBondContact O-N 3.45Å
753	N	88.4	Confident	90.8	Very high	59 Å²	59	23.9 Å²	23.9	32%	0.316	13%	0.128	S	C	.	.			trans	-88.1	107.5	-178.5	-174.4	-2.2	0	0	0	112	D751 A755 S756	D751-N753 PolarHBondContact O-N 2.89Å; D751-N753 VanDerWaalsContact O-N 3.12Å; D751-N753 WeakPolarHBondContact OD1-CB 3.19Å; D751-N753 PolarHBondContact OD1-N 3.27Å; D751-N753 VanDerWaalsContact OD1-N 3.14Å; N753-A755 PolarHBondContact O-N 3.13Å; N753-A755 VanDerWaalsContact O-N 3.15Å; N753-A755 WeakPolarHBondContact OD1-CB 3.34Å; N753-A755 PolarHBondContact OD1-N 2.73Å; N753-S756 WeakPolarHBondContact O-CB 3.42Å; N753-S756 PolarHBondContact O-N 2.96Å; N753-S756 PolarHBondContact O-OG 3.19Å
754	F	88.2	Confident	91.6	Very high	3 Å²	3	20 Å²	20	1%	0.013	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.5	178.5	-161.3	-88.3	0	0	0	113.6	T379 L380 V598 A601 V602 T714 D752 S756 I757	T379-F754 HydrophobicContact CG2-CD2 4.3Å; T379-F754 HydrophobicContact CG2-CE2 4.06Å; L380-F754 HydrophobicContact CD2-CD2 4.19Å; L380-F754 HydrophobicContact CD2-CE1 4.27Å; L380-F754 HydrophobicContact CD2-CE2 3.66Å; L380-F754 HydrophobicContact CD2-CZ 3.71Å; V598-F754 HydrophobicContact CG2-CB 3.42Å; V598-F754 VanDerWaalsContact CG2-CB 3.42Å; V598-F754 HydrophobicContact CG2-CD1 4.2Å; V598-F754 HydrophobicContact CG2-CD2 4.33Å; V598-F754 HydrophobicContact CG2-CG 3.75Å; A601-F754 HydrophobicContact CB-CD1 3.79Å; A601-F754 HydrophobicContact CB-CE1 4.45Å; V602-F754 HydrophobicContact CG2-CE1 4.1Å; T714-F754 HydrophobicContact CG2-CE2 4.37Å; D752-F754 PolarHBondContact O-N 3.45Å; F754-S756 PolarHBondContact O-N 2.68Å; F754-S756 VanDerWaalsContact O-N 3.15Å; F754-I757 HydrophobicContact CD1-CD1 3.84Å; F754-I757 HydrophobicContact CD2-CD1 3.5Å; F754-I757 HydrophobicContact CE1-CD1 3.75Å; F754-I757 HydrophobicContact CE2-CD1 3.4Å; F754-I757 HydrophobicContact CG-CD1 3.72Å; F754-I757 HydrophobicContact CZ-CD1 3.52Å; F754-I757 WeakPolarHBondContact O-CB 3.2Å; F754-I757 PolarHBondContact O-N 2.7Å
755	A	90.9	Very high	92.3	Very high	23 Å²	23	20 Å²	20	19%	0.19	11%	0.109	C	C	.	.	H	α-helix	trans	-64.9	-16	174.9	0	0	0	0	0	113.7	A597 A601 N753 I757 V758 T759	A597-A755 HydrophobicContact CB-CB 4.09Å; A601-A755 HydrophobicContact CB-CB 4.3Å; N753-A755 PolarHBondContact O-N 3.13Å; N753-A755 VanDerWaalsContact O-N 3.15Å; N753-A755 WeakPolarHBondContact OD1-CB 3.34Å; N753-A755 PolarHBondContact OD1-N 2.73Å; A755-I757 PolarHBondContact O-N 2.92Å; A755-V758 WeakPolarHBondContact O-CB 3.33Å; A755-V758 PolarHBondContact O-N 2.69Å; A755-T759 PolarHBondContact O-N 3.39Å; A755-T759 PolarHBondContact O-OG1 2.69Å
756	S	92.9	Very high	92.6	Very high	7 Å²	7	20.8 Å²	20.8	5%	0.049	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-24	170.2	-64.4	0	0	0	0	112.6	N753 F754 T759 G760	N753-S756 WeakPolarHBondContact O-CB 3.42Å; N753-S756 PolarHBondContact O-N 2.96Å; N753-S756 PolarHBondContact O-OG 3.19Å; F754-S756 PolarHBondContact O-N 2.68Å; F754-S756 VanDerWaalsContact O-N 3.15Å; S756-T759 WeakPolarHBondContact O-CB 3.29Å; S756-T759 PolarHBondContact O-N 3.15Å; S756-G760 PolarHBondContact O-N 3.03Å
757	I	93.8	Very high	92.9	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-48.7	172.2	-64.7	157.3	0	0	0	110.4	L366 I372 T714 L749 F754 A755 T759 G760 V761	L366-I757 HydrophobicContact CD2-CG2 4.25Å; L366-I757 WeakPolarHBondContact CD2-O 3.2Å; I372-I757 HydrophobicContact CD1-CG2 4.08Å; T714-I757 HydrophobicContact CG2-CD1 3.49Å; T714-I757 VanDerWaalsContact CG2-CD1 3.49Å; T714-I757 HydrophobicContact CG2-CG1 4.27Å; L749-I757 HydrophobicContact CD1-CD1 4.36Å; L749-I757 HydrophobicContact CD1-CG1 4.16Å; F754-I757 HydrophobicContact CD1-CD1 3.84Å; F754-I757 HydrophobicContact CD2-CD1 3.5Å; F754-I757 HydrophobicContact CE1-CD1 3.75Å; F754-I757 HydrophobicContact CE2-CD1 3.4Å; F754-I757 HydrophobicContact CG-CD1 3.72Å; F754-I757 HydrophobicContact CZ-CD1 3.52Å; F754-I757 WeakPolarHBondContact O-CB 3.2Å; F754-I757 PolarHBondContact O-N 2.7Å; A755-I757 PolarHBondContact O-N 2.92Å; I757-T759 PolarHBondContact O-N 3.12Å; I757-G760 PolarHBondContact O-N 2.95Å; I757-V761 HydrophobicContact CG2-CG2 4.46Å; I757-V761 WeakPolarHBondContact O-CG2 3.47Å; I757-V761 PolarHBondContact O-N 3.15Å
758	V	95.5	Very high	93.2	Very high	16 Å²	16	20.3 Å²	20.3	10%	0.097	11%	0.11	C	C	.	.	H	α-helix	trans	-55.7	-42.6	176.6	-177	0	0	0	0	110.5	A601 K604 A755 V761 E762 M831	A601-V758 HydrophobicContact CB-CG2 3.73Å; A601-V758 WeakPolarHBondContact O-CG2 3.22Å; K604-V758 HydrophobicContact CB-CG1 3.86Å; K604-V758 HydrophobicContact CB-CG2 4.08Å; K604-V758 HydrophobicContact CD-CG1 4.07Å; A755-V758 WeakPolarHBondContact O-CB 3.33Å; A755-V758 PolarHBondContact O-N 2.69Å; V758-V761 PolarHBondContact O-N 3.17Å; V758-E762 PolarHBondContact O-N 2.88Å; V758-M831 HydrophobicContact CG1-CE 3.67Å
759	T	93.4	Very high	93.4	Very high	36 Å²	36	20.8 Å²	20.8	22%	0.221	11%	0.112	C	C	.	.	H	α-helix	trans	-64.3	-41.5	176.6	-57.5	0	0	0	0	112.2	K353 A755 S756 I757 E762 E763	K353-T759 HydrophobicContact CD-CG2 3.5Å; A755-T759 PolarHBondContact O-N 3.39Å; A755-T759 PolarHBondContact O-OG1 2.69Å; S756-T759 WeakPolarHBondContact O-CB 3.29Å; S756-T759 PolarHBondContact O-N 3.15Å; I757-T759 PolarHBondContact O-N 3.12Å; T759-E762 WeakPolarHBondContact O-CB 3.43Å; T759-E762 PolarHBondContact O-N 3.38Å; T759-E763 HydrophobicContact CG2-CG 4.29Å; T759-E763 WeakPolarHBondContact O-CG 3.48Å; T759-E763 PolarHBondContact O-N 2.82Å
760	G	93.7	Very high	93.6	Very high	1 Å²	1	21 Å²	21	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-70.6	-32	176.5	0	0	0	0	0	113.2	S756 I757 E762 G764	S756-G760 PolarHBondContact O-N 3.03Å; I757-G760 PolarHBondContact O-N 2.95Å; G760-E762 VanDerWaalsContact C-N 3.35Å; G760-G764 PolarHBondContact O-N 2.97Å
761	V	96.3	Very high	94	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.7	-45.2	169.7	174.4	0	0	0	0	109.9	L366 G367 I610 I757 V758 R765 M831	L366-V761 HydrophobicContact CD2-CG2 4.38Å; L366-V761 HydrophobicContact CG-CG2 3.96Å; L366-V761 WeakPolarHBondContact O-CG2 3.35Å; G367-V761 WeakPolarHBondContact CA-O 3.41Å; I610-V761 HydrophobicContact CD1-CG1 3.89Å; I610-V761 HydrophobicContact CD1-CG2 3.83Å; I757-V761 HydrophobicContact CG2-CG2 4.46Å; I757-V761 WeakPolarHBondContact O-CG2 3.47Å; I757-V761 PolarHBondContact O-N 3.15Å; V758-V761 PolarHBondContact O-N 3.17Å; V761-R765 VanDerWaalsContact O-CB 3.3Å; V761-R765 WeakPolarHBondContact O-CB 3.25Å; V761-R765 WeakPolarHBondContact O-CG 3.39Å; V761-R765 PolarHBondContact O-N 2.72Å; V761-M831 HydrophobicContact CB-CE 4.2Å; V761-M831 HydrophobicContact CG1-CE 3.92Å; V761-M831 HydrophobicContact CG1-SD 4.02Å
762	E	96.1	Very high	94.3	Very high	83 Å²	83	15.1 Å²	15.1	39%	0.388	8%	0.082	S	C	.	.	H	α-helix	trans	-62	-53.4	177.2	-171.3	-174	178.4	0	0	111.8	V758 T759 G760 G764 R765 L766 I830 M831	V758-E762 PolarHBondContact O-N 2.88Å; T759-E762 WeakPolarHBondContact O-CB 3.43Å; T759-E762 PolarHBondContact O-N 3.38Å; G760-E762 VanDerWaalsContact C-N 3.35Å; E762-G764 VanDerWaalsContact C-N 3.34Å; E762-G764 PolarHBondContact O-N 3.04Å; E762-R765 PolarHBondContact O-N 2.9Å; E762-L766 WeakPolarHBondContact O-CB 3.16Å; E762-L766 PolarHBondContact O-N 3.43Å; E762-I830 HydrophobicContact CG-CD1 3.9Å; E762-I830 HydrophobicContact CG-CG1 4.2Å; E762-I830 WeakPolarHBondContact O-CD1 3.22Å; E762-M831 HydrophobicContact CB-CG 4.27Å; E762-M831 HydrophobicContact CB-SD 3.79Å; E762-M831 HydrophobicContact CG-CG 4.22Å; E762-M831 HydrophobicContact CG-SD 4.3Å
763	E	95.4	Very high	94.7	Very high	10 Å²	10	14.8 Å²	14.8	5%	0.047	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-35.4	-178.9	-62.3	-84.2	-164.1	0	0	111.9	T346 R349 M350 K353 T759 L766 I767	T346-E763 HydrophobicContact CG2-CB 4.04Å; R349-E763 VanDerWaalsContact CD-CD 3.48Å; R349-E763 WeakPolarHBondContact CD-OE1 3.48Å; R349-E763 WeakPolarHBondContact CD-OE2 3.38Å; R349-E763 IonicContact CZ-OE2 2.77Å; R349-E763 IonicContact NE-OE2 3.67Å; R349-E763 IonicContact NH1-OE2 3.12Å; R349-E763 PolarHBondContact NH1-OE2 3.48Å; M350-E763 HydrophobicContact CG-CB 4.19Å; M350-E763 HydrophobicContact CG-CG 4.12Å; M350-E763 HydrophobicContact SD-CB 3.99Å; M350-E763 HydrophobicContact SD-CG 4.46Å; K353-E763 IonicContact NZ-OE1 2.69Å; K353-E763 PolarHBondContact NZ-OE1 2.98Å; T759-E763 HydrophobicContact CG2-CG 4.29Å; T759-E763 WeakPolarHBondContact O-CG 3.48Å; T759-E763 PolarHBondContact O-N 2.82Å; E763-L766 PolarHBondContact O-N 3.44Å; E763-I767 WeakPolarHBondContact O-CB 3.46Å; E763-I767 VanDerWaalsContact O-CG2 3.32Å; E763-I767 WeakPolarHBondContact O-CG2 3.46Å; E763-I767 PolarHBondContact O-N 2.83Å
764	G	95.7	Very high	95.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68.2	-39.5	174	0	0	0	0	0	113.1	V363 G760 E762 L766 I767 F768	V363-G764 WeakPolarHBondContact O-CA 3.44Å; G760-G764 PolarHBondContact O-N 2.97Å; E762-G764 VanDerWaalsContact C-N 3.34Å; E762-G764 PolarHBondContact O-N 3.04Å; G764-L766 VanDerWaalsContact C-N 3.34Å; G764-I767 WeakPolarHBondContact O-CG2 3.32Å; G764-F768 PolarHBondContact O-N 3.28Å; G764-F768 VanDerWaalsContact O-N 3.17Å
765	R	96.8	Very high	95.5	Very high	7 Å²	7	12 Å²	12	3%	0.026	7%	0.065	C	C	.	.	H	α-helix	trans	-66.5	-38.3	172.8	-78.6	173.8	-178	-156	2.5	111.5	G367 A608 V761 E762 D769 I830 R833	G367-R765 VanDerWaalsContact O-CG 3.25Å; G367-R765 WeakPolarHBondContact O-CG 3.18Å; G367-R765 PolarHBondContact O-NE 3.37Å; A608-R765 PolarHBondContact O-NH2 2.87Å; V761-R765 VanDerWaalsContact O-CB 3.3Å; V761-R765 WeakPolarHBondContact O-CB 3.25Å; V761-R765 WeakPolarHBondContact O-CG 3.39Å; V761-R765 PolarHBondContact O-N 2.72Å; E762-R765 PolarHBondContact O-N 2.9Å; R765-D769 PolarHBondContact O-N 3.49Å; R765-I830 HydrophobicContact CB-CB 4.44Å; R765-I830 HydrophobicContact CB-CD1 4.03Å; R765-I830 WeakPolarHBondContact CD-O 3.23Å; R765-I830 PolarHBondContact NH1-O 3.26Å; R765-R833 PolarHBondContact NH1-O 2.89Å; R765-R833 PolarHBondContact O-NH2 3.48Å
766	L	96.8	Very high	95.8	Very high	17 Å²	17	10.9 Å²	10.9	9%	0.089	6%	0.056	C	C	.	.	H	α-helix	trans	-68.4	-47.1	178.1	-178.7	61.1	0	0	0	111.8	E762 E763 G764 F768 D769 N770 A826 I830	E762-L766 WeakPolarHBondContact O-CB 3.16Å; E762-L766 PolarHBondContact O-N 3.43Å; E763-L766 PolarHBondContact O-N 3.44Å; G764-L766 VanDerWaalsContact C-N 3.34Å; L766-F768 VanDerWaalsContact C-N 3.34Å; L766-F768 PolarHBondContact O-N 2.98Å; L766-D769 PolarHBondContact O-N 3.27Å; L766-N770 WeakPolarHBondContact O-CB 3.35Å; L766-N770 PolarHBondContact O-N 2.78Å; L766-A826 HydrophobicContact CD1-CB 4.2Å; L766-I830 HydrophobicContact CB-CD1 3.93Å
767	I	96.1	Very high	96	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.01	5%	0.054	C	C	.	.	H	α-helix	trans	-67.6	-33.7	-179.5	-166	54.4	0	0	0	111.9	C342 L343 T346 V363 E364 E763 G764 N770 L771 A822	C342-I767 HydrophobicContact CB-CD1 4.24Å; L343-I767 HydrophobicContact CD2-CG1 4.22Å; T346-I767 HydrophobicContact CG2-CB 4.22Å; T346-I767 HydrophobicContact CG2-CG2 4.4Å; T346-I767 WeakPolarHBondContact OG1-CD1 3.49Å; V363-I767 HydrophobicContact CG1-CG2 4.07Å; E364-I767 HydrophobicContact CB-CG2 4.39Å; E763-I767 WeakPolarHBondContact O-CB 3.46Å; E763-I767 VanDerWaalsContact O-CG2 3.32Å; E763-I767 WeakPolarHBondContact O-CG2 3.46Å; E763-I767 PolarHBondContact O-N 2.83Å; G764-I767 WeakPolarHBondContact O-CG2 3.32Å; I767-N770 PolarHBondContact O-N 2.66Å; I767-L771 HydrophobicContact CD1-CG 4.17Å; I767-L771 HydrophobicContact CG1-CD1 4.14Å; I767-L771 HydrophobicContact CG1-CG 4.14Å; I767-L771 VanDerWaalsContact O-CB 3.29Å; I767-L771 WeakPolarHBondContact O-CB 3.31Å; I767-L771 WeakPolarHBondContact O-CG 3.34Å; I767-L771 PolarHBondContact O-N 3.33Å; I767-A822 HydrophobicContact CD1-CB 4.13Å
768	F	96.4	Very high	96.1	Very high	11 Å²	11	10.7 Å²	10.7	5%	0.048	6%	0.055	C	C	.	.	H	α-helix	trans	-60.1	-48.5	172.5	-174.7	-96.4	0	0	0	111.9	E286 E364 G764 L766 N770 L771 K772 R836 L843	E286-F768 HydrophobicContact CG-CE2 4.44Å; E364-F768 HydrophobicContact CG-CB 4.25Å; E364-F768 HydrophobicContact CG-CD2 4.03Å; E364-F768 WeakPolarHBondContact OE1-CD2 3.33Å; G764-F768 PolarHBondContact O-N 3.28Å; G764-F768 VanDerWaalsContact O-N 3.17Å; L766-F768 VanDerWaalsContact C-N 3.34Å; L766-F768 PolarHBondContact O-N 2.98Å; F768-N770 PolarHBondContact O-N 3.1Å; F768-L771 PolarHBondContact O-N 3.3Å; F768-K772 PolarHBondContact O-N 3.37Å; F768-R836 VanDerWaalsContact CE2-CZ 3.44Å; F768-R836 VanDerWaalsContact CZ-CD 3.48Å; F768-L843 HydrophobicContact CD2-CD1 4.09Å; F768-L843 HydrophobicContact CE2-CB 3.98Å; F768-L843 HydrophobicContact CE2-CD1 3.91Å; F768-L843 HydrophobicContact CZ-CB 4.21Å; F768-L843 HydrophobicContact CZ-CD1 4.34Å
769	D	96.6	Very high	96	Very high	20 Å²	20	9.9 Å²	9.9	11%	0.107	5%	0.05	C	C	.	.	H	α-helix	trans	-67.1	-33.8	177.8	-75.1	-35.1	0	0	0	113	R765 L766 K772 K773 R833 R939	R765-D769 PolarHBondContact O-N 3.49Å; L766-D769 PolarHBondContact O-N 3.27Å; D769-K772 WeakPolarHBondContact O-CB 3.28Å; D769-K773 WeakPolarHBondContact O-CG 3.31Å; D769-K773 PolarHBondContact O-N 2.9Å; D769-R833 IonicContact OD1-NH1 2.61Å; D769-R833 IonicContact OD1-NH2 3.66Å; D769-R833 IonicContact OD2-CZ 3.9Å; D769-R833 IonicContact OD2-NH1 2.67Å; D769-R833 PolarHBondContact OD2-NH1 3.35Å; D769-R833 IonicContact OD2-NH2 3.33Å; D769-R833 PolarHBondContact OD2-NH2 3.08Å; D769-R939 IonicContact OD1-CZ 3.85Å; D769-R939 IonicContact OD1-NH1 2.71Å; D769-R939 PolarHBondContact OD1-NH1 2.96Å; D769-R939 IonicContact OD1-NH2 3.45Å
770	N	97.1	Very high	96.2	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.016	4%	0.04	C	C	.	.	H	α-helix	trans	-77.1	-32.2	177.7	-72.4	-7.8	0	0	0	112.6	L766 I767 F768 K772 K773 S774 A822 E824	L766-N770 WeakPolarHBondContact O-CB 3.35Å; L766-N770 PolarHBondContact O-N 2.78Å; I767-N770 PolarHBondContact O-N 2.66Å; F768-N770 PolarHBondContact O-N 3.1Å; N770-K772 VanDerWaalsContact C-N 3.32Å; N770-K773 WeakPolarHBondContact O-CB 3.35Å; N770-K773 PolarHBondContact O-N 2.93Å; N770-S774 WeakPolarHBondContact O-CB 3.28Å; N770-S774 PolarHBondContact O-N 2.92Å; N770-A822 PolarHBondContact ND2-O 3.02Å; N770-E824 PolarHBondContact ND2-O 3.28Å
771	L	95.6	Very high	96.3	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-63.5	-38.5	171	-76.2	172.3	0	0	0	110.8	I283 V339 C342 L343 I767 F768 K773 S774 I775 L843	I283-L771 HydrophobicContact CD1-CD1 4.13Å; V339-L771 HydrophobicContact CB-CD2 4.32Å; V339-L771 HydrophobicContact CG1-CD2 4.09Å; V339-L771 HydrophobicContact CG2-CD2 4.16Å; C342-L771 HydrophobicContact CB-CD2 3.81Å; L343-L771 HydrophobicContact CD2-CD1 4.28Å; I767-L771 HydrophobicContact CD1-CG 4.17Å; I767-L771 HydrophobicContact CG1-CD1 4.14Å; I767-L771 HydrophobicContact CG1-CG 4.14Å; I767-L771 VanDerWaalsContact O-CB 3.29Å; I767-L771 WeakPolarHBondContact O-CB 3.31Å; I767-L771 WeakPolarHBondContact O-CG 3.34Å; I767-L771 PolarHBondContact O-N 3.33Å; F768-L771 PolarHBondContact O-N 3.3Å; L771-K773 VanDerWaalsContact C-N 3.27Å; L771-K773 PolarHBondContact O-N 2.99Å; L771-S774 PolarHBondContact O-N 3.11Å; L771-I775 HydrophobicContact CB-CD1 4.45Å; L771-I775 WeakPolarHBondContact O-CB 3.31Å; L771-I775 WeakPolarHBondContact O-CD1 3.36Å; L771-I775 WeakPolarHBondContact O-CG1 3.37Å; L771-I775 PolarHBondContact O-N 2.87Å; L771-L843 HydrophobicContact CB-CD1 3.99Å
772	K	96.5	Very high	96.3	Very high	8 Å²	8	8.2 Å²	8.2	4%	0.035	4%	0.039	C	C	.	.	H	α-helix	trans	-54.7	-43.1	170.5	-69.2	-163.2	166.2	-163	0	112.7	F768 D769 N770 A776 K842 L843 Y1022	F768-K772 PolarHBondContact O-N 3.37Å; D769-K772 WeakPolarHBondContact O-CB 3.28Å; N770-K772 VanDerWaalsContact C-N 3.32Å; K772-A776 WeakPolarHBondContact O-CB 3.38Å; K772-A776 PolarHBondContact O-N 2.77Å; K772-K842 WeakPolarHBondContact CE-O 3.24Å; K772-K842 PolarHBondContact NZ-O 2.9Å; K772-L843 VanDerWaalsContact CE-O 3.22Å; K772-L843 WeakPolarHBondContact CE-O 3.42Å; K772-L843 HydrophobicContact CG-CD1 3.92Å; K772-L843 WeakPolarHBondContact CG-O 3.36Å; K772-Y1022 PolarHBondContact NZ-OXT 3.17Å
773	K	97.1	Very high	96.3	Very high	3 Å²	3	5.1 Å²	5.1	1%	0.013	3%	0.025	C	C	.	.	H	α-helix	trans	-67.3	-46.3	179.7	-60.8	173.2	179.7	-175.4	0	111.7	D769 N770 L771 A776 Y777 L821 E827 C936 K937 R939	D769-K773 WeakPolarHBondContact O-CG 3.31Å; D769-K773 PolarHBondContact O-N 2.9Å; N770-K773 WeakPolarHBondContact O-CB 3.35Å; N770-K773 PolarHBondContact O-N 2.93Å; L771-K773 VanDerWaalsContact C-N 3.27Å; L771-K773 PolarHBondContact O-N 2.99Å; K773-A776 PolarHBondContact O-N 3.24Å; K773-Y777 WeakPolarHBondContact O-CB 3.33Å; K773-Y777 PolarHBondContact O-N 2.99Å; K773-L821 HydrophobicContact CB-CB 4.47Å; K773-L821 HydrophobicContact CB-CD1 4.41Å; K773-E827 WeakPolarHBondContact CE-OE1 3.41Å; K773-E827 IonicContact NZ-OE1 3.98Å; K773-E827 PolarHBondContact NZ-OE1 3.15Å; K773-C936 WeakPolarHBondContact CB-O 3.44Å; K773-C936 VanDerWaalsContact CD-O 3.25Å; K773-C936 WeakPolarHBondContact CD-O 3.42Å; K773-C936 WeakPolarHBondContact CG-O 3.36Å; K773-K937 WeakPolarHBondContact CE-O 3.48Å; K773-K937 PolarHBondContact NZ-O 3.31Å; K773-R939 HydrophobicContact CG-CG 4.22Å
774	S	96.8	Very high	96.3	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-62.2	-44.4	178.6	-172.5	0	0	0	0	111.9	T338 N770 L771 T778 A818	T338-S774 VanDerWaalsContact CG2-OG 3.3Å; T338-S774 WeakPolarHBondContact CG2-OG 3.35Å; N770-S774 WeakPolarHBondContact O-CB 3.28Å; N770-S774 PolarHBondContact O-N 2.92Å; L771-S774 PolarHBondContact O-N 3.11Å; S774-T778 PolarHBondContact O-N 2.86Å; S774-T778 PolarHBondContact O-OG1 2.87Å; S774-A818 PolarHBondContact OG-O 2.95Å
775	I	95.7	Very high	96.3	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.01	2%	0.023	C	C	.	.	H	α-helix	trans	-66.5	-45.3	174.5	-65.7	161.3	0	0	0	110.9	F290 L335 V339 L771 Y777 T778 L779 L843 V844	F290-I775 HydrophobicContact CE2-CG2 4.29Å; F290-I775 HydrophobicContact CZ-CG2 4.41Å; L335-I775 HydrophobicContact CD1-CB 4.49Å; L335-I775 HydrophobicContact CD1-CG1 3.93Å; L335-I775 HydrophobicContact CD2-CG1 4.31Å; L335-I775 HydrophobicContact CD2-CG2 4.24Å; V339-I775 HydrophobicContact CG2-CG1 4.43Å; L771-I775 HydrophobicContact CB-CD1 4.45Å; L771-I775 WeakPolarHBondContact O-CB 3.31Å; L771-I775 WeakPolarHBondContact O-CD1 3.36Å; L771-I775 WeakPolarHBondContact O-CG1 3.37Å; L771-I775 PolarHBondContact O-N 2.87Å; I775-Y777 PolarHBondContact O-N 2.9Å; I775-T778 PolarHBondContact O-N 3.02Å; I775-L779 HydrophobicContact CG2-CD1 3.51Å; I775-L779 HydrophobicContact CG2-CG 4.04Å; I775-L779 VanDerWaalsContact O-CB 3.28Å; I775-L779 WeakPolarHBondContact O-CB 3.18Å; I775-L779 VanDerWaalsContact O-CG 3.24Å; I775-L779 WeakPolarHBondContact O-CG 3.2Å; I775-L779 PolarHBondContact O-N 2.77Å; I775-L843 HydrophobicContact CD1-CD1 4.15Å; I775-L843 HydrophobicContact CD1-CD2 3.66Å; I775-L843 HydrophobicContact CD1-CG 3.79Å; I775-V844 HydrophobicContact CD1-CG2 4.38Å; I775-V844 HydrophobicContact CG2-CG2 3.71Å
776	A	96.8	Very high	96.1	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-58.7	-45.5	178.7	0	0	0	0	0	112.2	K772 K773 L779 T780 L848 S852 Y1022	K772-A776 WeakPolarHBondContact O-CB 3.38Å; K772-A776 PolarHBondContact O-N 2.77Å; K773-A776 PolarHBondContact O-N 3.24Å; A776-L779 PolarHBondContact O-N 3.17Å; A776-T780 PolarHBondContact O-N 3.34Å; A776-T780 VanDerWaalsContact O-N 3.09Å; A776-T780 PolarHBondContact O-OG1 3.23Å; A776-L848 HydrophobicContact CB-CD1 4.3Å; A776-L848 HydrophobicContact CB-CD2 4.05Å; A776-L848 HydrophobicContact CB-CG 4.07Å; A776-S852 PolarHBondContact O-OG 2.98Å; A776-Y1022 HydrophobicContact CB-CE2 3.93Å
777	Y	97.5	Very high	96	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-59.3	-52.1	176.9	167.4	-102.3	0	0	0	112.5	K773 I775 L779 T780 D814 P817 A818 L821 Q929 D932 V933	K773-Y777 WeakPolarHBondContact O-CB 3.33Å; K773-Y777 PolarHBondContact O-N 2.99Å; I775-Y777 PolarHBondContact O-N 2.9Å; Y777-L779 VanDerWaalsContact C-N 3.29Å; Y777-L779 PolarHBondContact O-N 3.41Å; Y777-T780 WeakPolarHBondContact O-CB 3.09Å; Y777-T780 PolarHBondContact O-N 3.3Å; Y777-T780 VanDerWaalsContact O-N 3.11Å; Y777-D814 HydrophobicContact CE1-CB 4.02Å; Y777-P817 HydrophobicContact CE1-CB 3.8Å; Y777-P817 VanDerWaalsContact OH-CB 3.29Å; Y777-P817 WeakPolarHBondContact OH-CB 3.34Å; Y777-A818 HydrophobicContact CD1-CB 3.74Å; Y777-A818 HydrophobicContact CE1-CB 3.89Å; Y777-L821 HydrophobicContact CD1-CD1 4.44Å; Y777-L821 HydrophobicContact CG-CD1 4.2Å; Y777-Q929 HydrophobicContact CE2-CB 3.98Å; Y777-Q929 HydrophobicContact CE2-CG 4.24Å; Y777-Q929 VanDerWaalsContact CZ-NE2 3.33Å; Y777-D932 WeakPolarHBondContact CA-OD2 3.38Å; Y777-D932 HydrophobicContact CD2-CB 4.1Å; Y777-D932 WeakPolarHBondContact CD2-OD2 3.3Å; Y777-D932 HydrophobicContact CE2-CB 4.4Å; Y777-V933 HydrophobicContact CD2-CB 3.93Å; Y777-V933 HydrophobicContact CE2-CB 3.7Å; Y777-V933 HydrophobicContact CE2-CG2 4.44Å
778	T	95.6	Very high	95.9	Very high	4 Å²	4	4.3 Å²	4.3	3%	0.025	2%	0.023	C	C	.	.	H	α-helix	trans	-65.4	-33.6	-179.7	-43.5	0	0	0	0	111.8	P332 L335 S774 I775 T780 S781 N782	P332-T778 HydrophobicContact CB-CG2 4.06Å; L335-T778 HydrophobicContact CB-CG2 4.25Å; L335-T778 HydrophobicContact CD1-CG2 4.38Å; S774-T778 PolarHBondContact O-N 2.86Å; S774-T778 PolarHBondContact O-OG1 2.87Å; I775-T778 PolarHBondContact O-N 3.02Å; T778-T780 VanDerWaalsContact C-N 3.31Å; T778-T780 PolarHBondContact O-N 3.3Å; T778-S781 PolarHBondContact O-OG 3.39Å; T778-N782 PolarHBondContact O-OD1 2.91Å
779	L	95	Very high	95.6	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-74.5	-18.5	176.2	-73.1	178.7	0	0	0	113.4	F290 I294 P332 I775 A776 Y777 N782 L848 I849 Y853	F290-L779 HydrophobicContact CE2-CD1 3.84Å; F290-L779 HydrophobicContact CE2-CD2 4.13Å; F290-L779 HydrophobicContact CE2-CG 4.46Å; F290-L779 HydrophobicContact CZ-CD1 4.49Å; F290-L779 HydrophobicContact CZ-CD2 4.27Å; I294-L779 HydrophobicContact CD1-CD1 4.4Å; I294-L779 HydrophobicContact CD1-CD2 3.78Å; I294-L779 HydrophobicContact CG1-CD2 4.32Å; P332-L779 HydrophobicContact CG-CD2 4.11Å; I775-L779 HydrophobicContact CG2-CD1 3.51Å; I775-L779 HydrophobicContact CG2-CG 4.04Å; I775-L779 VanDerWaalsContact O-CB 3.28Å; I775-L779 WeakPolarHBondContact O-CB 3.18Å; I775-L779 VanDerWaalsContact O-CG 3.24Å; I775-L779 WeakPolarHBondContact O-CG 3.2Å; I775-L779 PolarHBondContact O-N 2.77Å; A776-L779 PolarHBondContact O-N 3.17Å; Y777-L779 VanDerWaalsContact C-N 3.29Å; Y777-L779 PolarHBondContact O-N 3.41Å; L779-N782 WeakPolarHBondContact CA-OD1 3.17Å; L779-L848 HydrophobicContact CD1-CD2 3.85Å; L779-I849 HydrophobicContact CD1-CD1 4.11Å; L779-Y853 HydrophobicContact CB-CD1 4.35Å; L779-Y853 HydrophobicContact CB-CE1 3.88Å; L779-Y853 HydrophobicContact CD2-CE1 4.04Å; L779-Y853 HydrophobicContact CG-CE1 4.46Å; L779-Y853 WeakPolarHBondContact O-CD1 3.38Å; L779-Y853 WeakPolarHBondContact O-CE1 3.46Å
780	T	97.1	Very high	95.4	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.006	3%	0.025	C	C	.	.	H	α-helix	trans	-69	-39.9	178.4	-53.7	0	0	0	0	110.9	A776 Y777 T778 N782 I783 P784 S852 I856 Q860 D932	A776-T780 PolarHBondContact O-N 3.34Å; A776-T780 VanDerWaalsContact O-N 3.09Å; A776-T780 PolarHBondContact O-OG1 3.23Å; Y777-T780 WeakPolarHBondContact O-CB 3.09Å; Y777-T780 PolarHBondContact O-N 3.3Å; Y777-T780 VanDerWaalsContact O-N 3.11Å; T778-T780 VanDerWaalsContact C-N 3.31Å; T778-T780 PolarHBondContact O-N 3.3Å; T780-N782 VanDerWaalsContact C-N 3.34Å; T780-N782 PolarHBondContact O-N 3.44Å; T780-I783 PolarHBondContact O-N 3.36Å; T780-P784 WeakPolarHBondContact O-CD 3.42Å; T780-S852 PolarHBondContact OG1-OG 3.36Å; T780-I856 HydrophobicContact CG2-CB 3.73Å; T780-I856 HydrophobicContact CG2-CG2 3.57Å; T780-Q860 HydrophobicContact CG2-CG 4.35Å; T780-Q860 PolarHBondContact O-OE1 3.08Å; T780-D932 VanDerWaalsContact CB-OD2 3.28Å; T780-D932 WeakPolarHBondContact CB-OD2 3.48Å; T780-D932 PolarHBondContact OG1-OD2 3.29Å
781	S	96.3	Very high	95.1	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-66.3	-27	-177.7	4.1	0	0	0	0	114	T778 I783 P784 E785 D814 Q929	T778-S781 PolarHBondContact O-OG 3.39Å; S781-I783 PolarHBondContact O-N 3.19Å; S781-I783 VanDerWaalsContact O-N 3.08Å; S781-P784 WeakPolarHBondContact O-CD 3.34Å; S781-P784 WeakPolarHBondContact O-CG 3.42Å; S781-E785 WeakPolarHBondContact CB-OE1 3.42Å; S781-E785 VanDerWaalsContact O-CG 3.26Å; S781-E785 WeakPolarHBondContact O-CG 3.29Å; S781-E785 PolarHBondContact O-N 3.44Å; S781-D814 PolarHBondContact OG-OD2 3.47Å; S781-Q929 PolarHBondContact OG-NE2 2.83Å
782	N	94.9	Very high	94.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-55.2	-33	176.4	-68	105.2	0	0	0	113.2	A329 T778 L779 T780 E785 I786 Y853	A329-N782 PolarHBondContact O-ND2 2.87Å; T778-N782 PolarHBondContact O-OD1 2.91Å; L779-N782 WeakPolarHBondContact CA-OD1 3.17Å; T780-N782 VanDerWaalsContact C-N 3.34Å; T780-N782 PolarHBondContact O-N 3.44Å; N782-E785 WeakPolarHBondContact CA-OE2 3.49Å; N782-E785 PolarHBondContact O-N 2.88Å; N782-I786 HydrophobicContact CB-CD1 4.1Å; N782-I786 WeakPolarHBondContact O-CB 3.37Å; N782-I786 VanDerWaalsContact O-CD1 3.23Å; N782-I786 WeakPolarHBondContact O-CD1 3.23Å; N782-I786 WeakPolarHBondContact O-CG1 3.31Å; N782-I786 PolarHBondContact O-N 2.86Å; N782-Y853 HydrophobicContact CB-CE1 4.07Å
783	I	96.1	Very high	94.5	Very high	19 Å²	19	9 Å²	9	10%	0.097	4%	0.043	C	C	.	.	H	α-helix	trans	-69.8	-51.2	-178.3	-62.7	-59.8	0	0	0	114	T780 S781 E785 I786 T787 Y853 G857 M858 A861	T780-I783 PolarHBondContact O-N 3.36Å; S781-I783 PolarHBondContact O-N 3.19Å; S781-I783 VanDerWaalsContact O-N 3.08Å; I783-E785 PolarHBondContact O-N 3.37Å; I783-E785 VanDerWaalsContact O-N 3.15Å; I783-I786 PolarHBondContact O-N 3.31Å; I783-T787 HydrophobicContact CG2-CG2 4.01Å; I783-T787 WeakPolarHBondContact O-CB 3.49Å; I783-T787 VanDerWaalsContact O-CG2 3.3Å; I783-T787 WeakPolarHBondContact O-CG2 3.31Å; I783-T787 PolarHBondContact O-N 2.96Å; I783-T787 PolarHBondContact O-OG1 3.4Å; I783-Y853 HydrophobicContact CD1-CD1 4.38Å; I783-Y853 HydrophobicContact CD1-CD2 3.66Å; I783-Y853 HydrophobicContact CD1-CE2 4.22Å; I783-Y853 HydrophobicContact CD1-CG 3.73Å; I783-Y853 HydrophobicContact CG1-CD1 4.28Å; I783-Y853 HydrophobicContact CG1-CD2 4.41Å; I783-Y853 HydrophobicContact CG1-CG 3.99Å; I783-G857 VanDerWaalsContact CG2-C 3.44Å; I783-G857 WeakPolarHBondContact CG2-O 3.46Å; I783-M858 HydrophobicContact CG2-CG 4.47Å; I783-M858 HydrophobicContact CG2-SD 3.78Å; I783-A861 HydrophobicContact CG2-CB 4.25Å
784	P	96.7	Very high	94.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.6	-13.3	171.2	24.2	-34.2	0	0	0	113.6	T780 S781 P788 Q860 A861 F921 I925	T780-P784 WeakPolarHBondContact O-CD 3.42Å; S781-P784 WeakPolarHBondContact O-CD 3.34Å; S781-P784 WeakPolarHBondContact O-CG 3.42Å; P784-P788 WeakPolarHBondContact O-CD 3.24Å; P784-P788 WeakPolarHBondContact O-CG 3.19Å; P784-Q860 HydrophobicContact CB-CB 4.18Å; P784-Q860 HydrophobicContact CG-CB 3.77Å; P784-A861 HydrophobicContact CB-CB 4.3Å; P784-F921 HydrophobicContact CB-CE1 4.09Å; P784-F921 WeakPolarHBondContact O-CE1 3.45Å; P784-I925 HydrophobicContact CB-CD1 3.95Å; P784-I925 HydrophobicContact CB-CG1 3.88Å; P784-I925 HydrophobicContact CG-CD1 4.22Å; P784-I925 HydrophobicContact CG-CG1 4.08Å
785	E	94.6	Very high	93.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-90.9	-42.1	176.1	-65.6	157.4	-173.5	0	0	113.2	A329 S781 N782 I783 P788 L801 I806 I809 I925	A329-E785 HydrophobicContact CB-CB 4.48Å; S781-E785 WeakPolarHBondContact CB-OE1 3.42Å; S781-E785 VanDerWaalsContact O-CG 3.26Å; S781-E785 WeakPolarHBondContact O-CG 3.29Å; S781-E785 PolarHBondContact O-N 3.44Å; N782-E785 WeakPolarHBondContact CA-OE2 3.49Å; N782-E785 PolarHBondContact O-N 2.88Å; I783-E785 PolarHBondContact O-N 3.37Å; I783-E785 VanDerWaalsContact O-N 3.15Å; E785-P788 WeakPolarHBondContact O-CD 3.35Å; E785-L801 HydrophobicContact CB-CD2 4.23Å; E785-L801 HydrophobicContact CG-CD2 3.99Å; E785-I806 HydrophobicContact CB-CD1 3.98Å; E785-I806 HydrophobicContact CB-CG1 4Å; E785-I806 HydrophobicContact CB-CG2 4.48Å; E785-I806 HydrophobicContact CG-CG1 4.05Å; E785-I806 HydrophobicContact CG-CG2 4.37Å; E785-I809 HydrophobicContact CG-CD1 4.23Å; E785-I809 WeakPolarHBondContact OE1-CG2 3.41Å; E785-I925 HydrophobicContact CG-CD1 4.14Å
786	I	93.4	Very high	93.7	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.015	9%	0.089	C	C	.	.	H	α-helix	trans	-69.6	-45.7	176.6	-64.7	157.6	0	0	0	110.8	A329 N330 N782 I783 F789 L790	A329-I786 HydrophobicContact CB-CB 4.48Å; A329-I786 HydrophobicContact CB-CG1 3.72Å; A329-I786 VanDerWaalsContact O-CG1 3.29Å; A329-I786 WeakPolarHBondContact O-CG1 3.29Å; N330-I786 HydrophobicContact CB-CD1 4.34Å; N330-I786 VanDerWaalsContact ND2-CD1 3.34Å; N330-I786 WeakPolarHBondContact ND2-CD1 3.35Å; N330-I786 WeakPolarHBondContact ND2-CG1 3.33Å; N330-I786 WeakPolarHBondContact OD1-CD1 3.34Å; N782-I786 HydrophobicContact CB-CD1 4.1Å; N782-I786 WeakPolarHBondContact O-CB 3.37Å; N782-I786 VanDerWaalsContact O-CD1 3.23Å; N782-I786 WeakPolarHBondContact O-CD1 3.23Å; N782-I786 WeakPolarHBondContact O-CG1 3.31Å; N782-I786 PolarHBondContact O-N 2.86Å; I783-I786 PolarHBondContact O-N 3.31Å; I786-F789 WeakPolarHBondContact O-CB 3.28Å; I786-F789 PolarHBondContact O-N 3.33Å; I786-L790 HydrophobicContact CG2-CD1 4.03Å; I786-L790 HydrophobicContact CG2-CD2 3.99Å; I786-L790 HydrophobicContact CG2-CG 3.96Å; I786-L790 WeakPolarHBondContact O-CG 3.45Å; I786-L790 PolarHBondContact O-N 2.83Å
787	T	94.8	Very high	93.6	Very high	16 Å²	16	17.5 Å²	17.5	10%	0.098	9%	0.09	C	C	.	.	H	α-helix	trans	-61.2	-34.5	-171.3	51.6	0	0	0	0	115.2	I783 F789 L790 F791 A861	I783-T787 HydrophobicContact CG2-CG2 4.01Å; I783-T787 WeakPolarHBondContact O-CB 3.49Å; I783-T787 VanDerWaalsContact O-CG2 3.3Å; I783-T787 WeakPolarHBondContact O-CG2 3.31Å; I783-T787 PolarHBondContact O-N 2.96Å; I783-T787 PolarHBondContact O-OG1 3.4Å; T787-F789 PolarHBondContact O-N 3.17Å; T787-L790 PolarHBondContact O-N 2.92Å; T787-L790 VanDerWaalsContact O-N 3.15Å; T787-F791 WeakPolarHBondContact O-CD2 3.1Å; T787-F791 PolarHBondContact O-N 3.09Å; T787-A861 WeakPolarHBondContact OG1-CB 3Å
788	P	94.2	Very high	93.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-46.8	-50.9	164.6	-35.3	38.4	0	0	0	114.4	P784 E785 L790 F791 F792 P800 L801 F921	P784-P788 WeakPolarHBondContact O-CD 3.24Å; P784-P788 WeakPolarHBondContact O-CG 3.19Å; E785-P788 WeakPolarHBondContact O-CD 3.35Å; P788-L790 VanDerWaalsContact C-N 3.34Å; P788-L790 PolarHBondContact O-N 2.87Å; P788-F791 PolarHBondContact O-N 3.32Å; P788-F792 VanDerWaalsContact O-CB 3.22Å; P788-F792 WeakPolarHBondContact O-CB 3.32Å; P788-F792 PolarHBondContact O-N 2.86Å; P788-P800 HydrophobicContact CB-CB 4Å; P788-P800 HydrophobicContact CB-CG 4.09Å; P788-P800 HydrophobicContact CG-CB 4.34Å; P788-L801 HydrophobicContact CB-CB 3.82Å; P788-L801 HydrophobicContact CG-CB 3.71Å; P788-L801 HydrophobicContact CG-CD2 4.37Å; P788-F921 HydrophobicContact CG-CE1 3.99Å; P788-F921 HydrophobicContact CG-CE2 3.94Å; P788-F921 HydrophobicContact CG-CZ 3.57Å
789	F	90.3	Very high	93.2	Very high	12 Å²	12	18.4 Å²	18.4	5%	0.053	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-37.8	178.1	-75.4	-89.2	0	0	0	111.8	I326 I786 T787 F792 I793 L799 I806	I326-F789 HydrophobicContact CG1-CB 4.24Å; I786-F789 WeakPolarHBondContact O-CB 3.28Å; I786-F789 PolarHBondContact O-N 3.33Å; T787-F789 PolarHBondContact O-N 3.17Å; F789-F792 PolarHBondContact O-N 3.49Å; F789-I793 VanDerWaalsContact O-CD1 3.31Å; F789-I793 WeakPolarHBondContact O-CD1 3.31Å; F789-I793 VanDerWaalsContact O-CG1 3.22Å; F789-I793 WeakPolarHBondContact O-CG1 3.4Å; F789-I793 PolarHBondContact O-N 3.26Å; F789-I793 VanDerWaalsContact O-N 3.15Å; F789-L799 HydrophobicContact CD1-CD1 4.36Å; F789-L799 HydrophobicContact CE1-CD1 4.26Å; F789-L799 HydrophobicContact CZ-CD1 4.48Å; F789-I806 HydrophobicContact CE2-CD1 3.79Å
790	L	91.1	Very high	93.2	Very high	27 Å²	27	18.4 Å²	18.4	14%	0.141	9%	0.094	C	C	.	.	H	α-helix	trans	-65.2	-43	178	-49.2	-169.8	0	0	0	111.6	F305 I326 I786 T787 P788 I793 L794	F305-L790 HydrophobicContact CD1-CD2 3.86Å; F305-L790 HydrophobicContact CD2-CD2 3.92Å; F305-L790 HydrophobicContact CE1-CB 3.98Å; F305-L790 HydrophobicContact CE1-CD1 4.47Å; F305-L790 HydrophobicContact CE1-CD2 3.75Å; F305-L790 HydrophobicContact CE1-CG 4.24Å; F305-L790 HydrophobicContact CE2-CD1 4.13Å; F305-L790 HydrophobicContact CE2-CD2 3.82Å; F305-L790 HydrophobicContact CG-CD2 3.95Å; F305-L790 HydrophobicContact CZ-CB 4.16Å; F305-L790 HydrophobicContact CZ-CD1 3.85Å; F305-L790 HydrophobicContact CZ-CD2 3.73Å; F305-L790 HydrophobicContact CZ-CG 4.1Å; I326-L790 HydrophobicContact CD1-CD2 3.97Å; I326-L790 HydrophobicContact CG1-CD2 4.29Å; I786-L790 HydrophobicContact CG2-CD1 4.03Å; I786-L790 HydrophobicContact CG2-CD2 3.99Å; I786-L790 HydrophobicContact CG2-CG 3.96Å; I786-L790 WeakPolarHBondContact O-CG 3.45Å; I786-L790 PolarHBondContact O-N 2.83Å; T787-L790 PolarHBondContact O-N 2.92Å; T787-L790 VanDerWaalsContact O-N 3.15Å; P788-L790 VanDerWaalsContact C-N 3.34Å; P788-L790 PolarHBondContact O-N 2.87Å; L790-I793 PolarHBondContact O-N 3.47Å; L790-L794 VanDerWaalsContact O-CB 3.27Å; L790-L794 WeakPolarHBondContact O-CB 3.17Å; L790-L794 VanDerWaalsContact O-CG 3.25Å; L790-L794 WeakPolarHBondContact O-CG 3.32Å; L790-L794 PolarHBondContact O-N 3.02Å
791	F	92.1	Very high	93.1	Very high	85 Å²	85	18.3 Å²	18.3	37%	0.373	9%	0.094	S	C	.	.	H	α-helix	trans	-70.3	-36.3	176.9	-88	-108.2	0	0	0	112.8	T787 P788 I793 L794 V795 I797 F865	T787-F791 WeakPolarHBondContact O-CD2 3.1Å; T787-F791 PolarHBondContact O-N 3.09Å; P788-F791 PolarHBondContact O-N 3.32Å; F791-I793 PolarHBondContact O-N 2.66Å; F791-L794 PolarHBondContact O-N 3.19Å; F791-V795 HydrophobicContact CB-CG2 4.47Å; F791-V795 HydrophobicContact CD1-CB 4.45Å; F791-V795 HydrophobicContact CD1-CG2 3.66Å; F791-V795 HydrophobicContact CE1-CG2 4.18Å; F791-V795 HydrophobicContact CG-CG2 4.25Å; F791-V795 WeakPolarHBondContact O-CA 3.11Å; F791-V795 WeakPolarHBondContact O-CB 3.43Å; F791-V795 PolarHBondContact O-N 3.29Å; F791-I797 HydrophobicContact CB-CD1 3.96Å; F791-I797 HydrophobicContact CB-CG1 4.45Å; F791-F865 HydrophobicContact CB-CE1 3.85Å; F791-F865 HydrophobicContact CB-CZ 3.73Å; F791-F865 HydrophobicContact CD1-CE1 4.15Å; F791-F865 HydrophobicContact CD1-CZ 4.26Å; F791-F865 HydrophobicContact CD2-CE1 4.28Å; F791-F865 HydrophobicContact CD2-CE2 4.03Å; F791-F865 AromaticContact CD2-CZ 3.58Å; F791-F865 HydrophobicContact CD2-CZ 3.58Å; F791-F865 HydrophobicContact CE2-CE2 4.31Å; F791-F865 HydrophobicContact CE2-CZ 4.26Å; F791-F865 AromaticContact CG-CE1 3.83Å; F791-F865 HydrophobicContact CG-CE1 3.83Å; F791-F865 HydrophobicContact CG-CE2 4.41Å; F791-F865 AromaticContact CG-CZ 3.58Å; F791-F865 HydrophobicContact CG-CZ 3.58Å
792	F	90.8	Very high	92.7	Very high	17 Å²	17	18.7 Å²	18.7	8%	0.075	10%	0.098	C	C	.	.	H	α-helix	trans	-59.8	-31.2	173.7	175.4	-110.3	0	0	0	113.2	F322 P788 F789 I797 L799 R886	F322-F792 HydrophobicContact CD1-CE1 4.26Å; F322-F792 HydrophobicContact CE1-CD1 4.34Å; F322-F792 AromaticContact CE1-CE1 3.71Å; F322-F792 HydrophobicContact CE1-CE1 3.71Å; F322-F792 HydrophobicContact CZ-CE1 4.44Å; P788-F792 VanDerWaalsContact O-CB 3.22Å; P788-F792 WeakPolarHBondContact O-CB 3.32Å; P788-F792 PolarHBondContact O-N 2.86Å; F789-F792 PolarHBondContact O-N 3.49Å; F792-I797 VanDerWaalsContact CD2-O 3.29Å; F792-I797 WeakPolarHBondContact CD2-O 3.4Å; F792-L799 HydrophobicContact CB-CD1 4.02Å; F792-L799 HydrophobicContact CD1-CD1 4.03Å; F792-L799 HydrophobicContact CD2-CB 3.85Å; F792-L799 HydrophobicContact CD2-CD1 3.92Å; F792-L799 HydrophobicContact CD2-CG 4.5Å; F792-L799 HydrophobicContact CE1-CD1 4.38Å; F792-L799 HydrophobicContact CE2-CB 3.81Å; F792-L799 HydrophobicContact CE2-CD1 4.3Å; F792-L799 HydrophobicContact CG-CD1 3.76Å; F792-L799 HydrophobicContact CZ-CB 4.46Å; F792-R886 HydrophobicContact CD2-CG 4.47Å; F792-R886 VanDerWaalsContact CE1-NH1 3.29Å; F792-R886 VanDerWaalsContact CE2-CD 3.41Å; F792-R886 HydrophobicContact CE2-CG 4.01Å; F792-R886 PolarHBondContact O-NH1 3.38Å
793	I	88.3	Confident	92.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-90	-39.2	177.1	-61	161.3	0	0	0	112.3	L312 Y314 F322 I326 F789 L790 F791 N796	L312-I793 HydrophobicContact CD1-CG2 4.44Å; L312-I793 WeakPolarHBondContact CD1-O 3.49Å; Y314-I793 HydrophobicContact CE2-CG2 4.18Å; F322-I793 HydrophobicContact CB-CD1 3.72Å; F322-I793 HydrophobicContact CB-CG1 4.44Å; F322-I793 HydrophobicContact CD1-CG1 4.4Å; F322-I793 HydrophobicContact CD2-CD1 3.87Å; F322-I793 HydrophobicContact CD2-CG1 3.74Å; F322-I793 HydrophobicContact CE2-CG1 4.1Å; F322-I793 HydrophobicContact CG-CD1 3.77Å; F322-I793 HydrophobicContact CG-CG1 3.93Å; I326-I793 HydrophobicContact CD1-CD1 4Å; F789-I793 VanDerWaalsContact O-CD1 3.31Å; F789-I793 WeakPolarHBondContact O-CD1 3.31Å; F789-I793 VanDerWaalsContact O-CG1 3.22Å; F789-I793 WeakPolarHBondContact O-CG1 3.4Å; F789-I793 PolarHBondContact O-N 3.26Å; F789-I793 VanDerWaalsContact O-N 3.15Å; L790-I793 PolarHBondContact O-N 3.47Å; F791-I793 PolarHBondContact O-N 2.66Å; I793-N796 PolarHBondContact O-OD1 2.77Å
794	L	90	Very high	91.7	Very high	87 Å²	87	22.3 Å²	22.3	46%	0.455	12%	0.118	S	C	.	.	H	α-helix	trans	-85.4	-36.5	-173.9	-71	174.6	0	0	0	114	F305 L308 L790 F791	F305-L794 HydrophobicContact CE1-CD1 3.8Å; F305-L794 HydrophobicContact CE1-CD2 4.22Å; F305-L794 HydrophobicContact CE1-CG 3.92Å; F305-L794 HydrophobicContact CZ-CD1 4.25Å; L308-L794 HydrophobicContact CD1-CD2 4.36Å; L308-L794 HydrophobicContact CD2-CD2 3.45Å; L308-L794 VanDerWaalsContact CD2-CD2 3.45Å; L790-L794 VanDerWaalsContact O-CB 3.27Å; L790-L794 WeakPolarHBondContact O-CB 3.17Å; L790-L794 VanDerWaalsContact O-CG 3.25Å; L790-L794 WeakPolarHBondContact O-CG 3.32Å; L790-L794 PolarHBondContact O-N 3.02Å; F791-L794 PolarHBondContact O-N 3.19Å
795	V	90.8	Very high	91.5	Very high	47 Å²	47	22.5 Å²	22.5	29%	0.285	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-7.7	-170.9	-164.7	0	0	0	0	111.3	F791 I797 V883 G884	F791-V795 HydrophobicContact CB-CG2 4.47Å; F791-V795 HydrophobicContact CD1-CB 4.45Å; F791-V795 HydrophobicContact CD1-CG2 3.66Å; F791-V795 HydrophobicContact CE1-CG2 4.18Å; F791-V795 HydrophobicContact CG-CG2 4.25Å; F791-V795 WeakPolarHBondContact O-CA 3.11Å; F791-V795 WeakPolarHBondContact O-CB 3.43Å; F791-V795 PolarHBondContact O-N 3.29Å; V795-I797 HydrophobicContact CB-CG2 4.16Å; V795-I797 HydrophobicContact CG1-CG2 3.88Å; V795-I797 PolarHBondContact O-N 3.04Å; V795-V883 HydrophobicContact CG1-CB 4.46Å; V795-V883 HydrophobicContact CG1-CG1 4.03Å; V795-V883 HydrophobicContact CG1-CG2 4.02Å; V795-G884 PolarHBondContact O-N 3.39Å; V795-G884 VanDerWaalsContact O-N 3.16Å
796	N	91.1	Very high	91.3	Very high	47 Å²	47	22.5 Å²	22.5	25%	0.251	12%	0.119	S	C	.	.			trans	52.7	42.5	179.3	-62.4	-11.3	0	0	0	112.3	Y314 I793 G884 I885 R886	Y314-N796 PolarHBondContact OH-OD1 3.33Å; I793-N796 PolarHBondContact O-OD1 2.77Å; N796-G884 CarbonylContact O-C 3.44Å; N796-G884 WeakPolarHBondContact O-CA 3.41Å; N796-G884 PolarHBondContact O-N 3.21Å; N796-I885 PolarHBondContact O-N 2.84Å; N796-R886 HydrophobicContact CB-CB 4.34Å; N796-R886 WeakPolarHBondContact O-CB 3.08Å; N796-R886 PolarHBondContact O-N 3.19Å
797	I	94.4	Very high	91	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-87.9	161.9	170	61.3	168.9	0	0	0	110.3	F791 F792 V795 P800 F865 Y868 L882	F791-I797 HydrophobicContact CB-CD1 3.96Å; F791-I797 HydrophobicContact CB-CG1 4.45Å; F792-I797 VanDerWaalsContact CD2-O 3.29Å; F792-I797 WeakPolarHBondContact CD2-O 3.4Å; V795-I797 HydrophobicContact CB-CG2 4.16Å; V795-I797 HydrophobicContact CG1-CG2 3.88Å; V795-I797 PolarHBondContact O-N 3.04Å; I797-P800 HydrophobicContact CD1-CG 3.87Å; I797-F865 HydrophobicContact CD1-CE1 4.27Å; I797-Y868 HydrophobicContact CD1-CE1 4.08Å; I797-L882 HydrophobicContact CG2-CB 4.16Å
798	P	94.1	Very high	90.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-54.7	154	165.7	-25.3	35.4	0	0	0	111.7	P800 Y868 M872 L882 I885 W889	P798-P800 VanDerWaalsContact O-CD 3.23Å; P798-P800 WeakPolarHBondContact O-CD 3.23Å; P798-Y868 WeakPolarHBondContact CD-OH 3.39Å; P798-Y868 PolarHBondContact O-OH 2.8Å; P798-M872 HydrophobicContact CB-CE 3.88Å; P798-M872 HydrophobicContact CG-CE 4.09Å; P798-L882 HydrophobicContact CG-CD2 4.33Å; P798-I885 HydrophobicContact CG-CG2 3.84Å; P798-W889 HydrophobicContact CB-CD2 4.09Å; P798-W889 HydrophobicContact CB-CG 4.21Å; P798-W889 HydrophobicContact CB-CZ2 4.26Å; P798-W889 HydrophobicContact CG-CB 4.45Å; P798-W889 HydrophobicContact CG-CD2 3.55Å; P798-W889 HydrophobicContact CG-CE3 3.84Å; P798-W889 HydrophobicContact CG-CG 3.83Å; P798-W889 HydrophobicContact CG-CH2 4.44Å; P798-W889 HydrophobicContact CG-CZ2 4.19Å; P798-W889 HydrophobicContact CG-CZ3 4.28Å
799	L	91.9	Very high	90.9	Very high	23 Å²	23	23.4 Å²	23.4	12%	0.12	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-63.4	125.1	-176.3	-172.4	61.5	0	0	0	110.3	F789 F792 L801 H918	F789-L799 HydrophobicContact CD1-CD1 4.36Å; F789-L799 HydrophobicContact CE1-CD1 4.26Å; F789-L799 HydrophobicContact CZ-CD1 4.48Å; F792-L799 HydrophobicContact CB-CD1 4.02Å; F792-L799 HydrophobicContact CD1-CD1 4.03Å; F792-L799 HydrophobicContact CD2-CB 3.85Å; F792-L799 HydrophobicContact CD2-CD1 3.92Å; F792-L799 HydrophobicContact CD2-CG 4.5Å; F792-L799 HydrophobicContact CE1-CD1 4.38Å; F792-L799 HydrophobicContact CE2-CB 3.81Å; F792-L799 HydrophobicContact CE2-CD1 4.3Å; F792-L799 HydrophobicContact CG-CD1 3.76Å; F792-L799 HydrophobicContact CZ-CB 4.46Å; L799-L801 WeakPolarHBondContact CD1-O 3.4Å; L799-L801 VanDerWaalsContact CG-O 3.3Å; L799-L801 WeakPolarHBondContact CG-O 3.39Å; L799-H918 PolarHBondContact O-CD2 3.47Å; L799-H918 VanDerWaalsContact O-CD2 3.3Å; L799-H918 PolarHBondContact O-NE2 2.92Å; L799-H918 VanDerWaalsContact O-NE2 3.09Å
800	P	94.7	Very high	90.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-81	-27.4	-179.7	-18.1	32.7	0	0	0	114.5	P788 I797 P798 F865 Y868 F921	P788-P800 HydrophobicContact CB-CB 4Å; P788-P800 HydrophobicContact CB-CG 4.09Å; P788-P800 HydrophobicContact CG-CB 4.34Å; I797-P800 HydrophobicContact CD1-CG 3.87Å; P798-P800 VanDerWaalsContact O-CD 3.23Å; P798-P800 WeakPolarHBondContact O-CD 3.23Å; P800-F865 HydrophobicContact CB-CE1 4.24Å; P800-F865 HydrophobicContact CG-CE1 3.77Å; P800-F865 HydrophobicContact CG-CZ 4.42Å; P800-Y868 HydrophobicContact CB-CD2 3.7Å; P800-Y868 HydrophobicContact CB-CE2 4.02Å; P800-Y868 HydrophobicContact CB-CG 4.12Å; P800-Y868 HydrophobicContact CG-CD2 4.3Å; P800-Y868 HydrophobicContact CG-CE2 4.19Å; P800-F921 HydrophobicContact CB-CD2 3.79Å; P800-F921 HydrophobicContact CB-CE2 3.82Å; P800-F921 WeakPolarHBondContact O-CB 3.1Å
801	L	93.8	Very high	90.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-148.6	133.5	-178.4	-172.1	75	0	0	0	109.4	E785 P788 L799 T805 I806 F921 F922 I925	E785-L801 HydrophobicContact CB-CD2 4.23Å; E785-L801 HydrophobicContact CG-CD2 3.99Å; P788-L801 HydrophobicContact CB-CB 3.82Å; P788-L801 HydrophobicContact CG-CB 3.71Å; P788-L801 HydrophobicContact CG-CD2 4.37Å; L799-L801 WeakPolarHBondContact CD1-O 3.4Å; L799-L801 VanDerWaalsContact CG-O 3.3Å; L799-L801 WeakPolarHBondContact CG-O 3.39Å; L801-T805 VanDerWaalsContact CD1-OG1 3.26Å; L801-T805 WeakPolarHBondContact CD1-OG1 3.41Å; L801-I806 HydrophobicContact CD2-CD1 4.3Å; L801-I806 HydrophobicContact CD2-CG1 3.68Å; L801-I806 HydrophobicContact CG-CG1 4.25Å; L801-F921 HydrophobicContact CB-CD1 4.27Å; L801-F921 HydrophobicContact CB-CG 4.28Å; L801-F921 HydrophobicContact CD1-CB 3.96Å; L801-F921 HydrophobicContact CD1-CD1 4.02Å; L801-F921 HydrophobicContact CD1-CG 4.23Å; L801-F921 HydrophobicContact CD2-CD1 4.32Å; L801-F921 HydrophobicContact CG-CD1 4.44Å; L801-F922 HydrophobicContact CD1-CB 4.36Å; L801-I925 HydrophobicContact CD2-CD1 4.06Å
802	G	88.3	Confident	90.9	Very high	8 Å²	8	21.6 Å²	21.6	8%	0.082	12%	0.124	C	C	.	.			trans	-95	162.3	-179.7	0	0	0	0	0	113.8	I804 T805 I806	G802-I804 VanDerWaalsContact C-N 3.31Å; G802-I804 PolarHBondContact O-N 3Å; G802-T805 PolarHBondContact N-OG1 2.69Å; G802-T805 PolarHBondContact O-N 3.23Å; G802-T805 VanDerWaalsContact O-N 3.11Å; G802-T805 PolarHBondContact O-OG1 3.27Å; G802-I806 PolarHBondContact O-N 3.37Å; G802-I806 VanDerWaalsContact O-N 3.16Å
803	T	84.3	Confident	91.1	Very high	30 Å²	30	20.8 Å²	20.8	18%	0.184	12%	0.12	C	C	.	.	H	α-helix	trans	-64.2	-33.3	179.9	-36.5	0	0	0	0	113.2	L131 V328 T805 I806 L807	L131-T803 HydrophobicContact CD1-CG2 3.67Å; L131-T803 HydrophobicContact CD2-CG2 3.87Å; L131-T803 HydrophobicContact CG-CG2 4.45Å; V328-T803 HydrophobicContact CG1-CG2 3.93Å; T803-T805 VanDerWaalsContact C-N 3.31Å; T803-T805 PolarHBondContact O-N 3.23Å; T803-I806 PolarHBondContact O-N 2.94Å; T803-L807 WeakPolarHBondContact O-CG 3.48Å; T803-L807 PolarHBondContact O-N 3.48Å
804	I	86.7	Confident	91.5	Very high	65 Å²	65	20.9 Å²	20.9	33%	0.333	12%	0.121	S	C	.	.	H	α-helix	trans	-64.2	-38.8	174.8	-60.1	176	0	0	0	110.7	G802 L807 C808 L977	G802-I804 VanDerWaalsContact C-N 3.31Å; G802-I804 PolarHBondContact O-N 3Å; I804-L807 PolarHBondContact O-N 2.64Å; I804-C808 PolarHBondContact O-N 2.69Å; I804-C808 VanDerWaalsContact O-N 3.16Å; I804-C808 PolarHBondContact O-SG 3.03Å; I804-L977 HydrophobicContact CG2-CB 4.29Å; I804-L977 HydrophobicContact CG2-CD2 3.87Å
805	T	91.1	Very high	91.6	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	11%	0.109	C	C	.	.	H	α-helix	trans	-71.2	-29.7	178.9	45.7	0	0	0	0	112.7	L801 G802 T803 C808 I809 H918 M979	L801-T805 VanDerWaalsContact CD1-OG1 3.26Å; L801-T805 WeakPolarHBondContact CD1-OG1 3.41Å; G802-T805 PolarHBondContact N-OG1 2.69Å; G802-T805 PolarHBondContact O-N 3.23Å; G802-T805 VanDerWaalsContact O-N 3.11Å; G802-T805 PolarHBondContact O-OG1 3.27Å; T803-T805 VanDerWaalsContact C-N 3.31Å; T803-T805 PolarHBondContact O-N 3.23Å; T805-C808 PolarHBondContact O-N 3.47Å; T805-I809 WeakPolarHBondContact O-CG1 3.3Å; T805-I809 PolarHBondContact O-N 3.33Å; T805-H918 HydrophobicContact CG2-CB 4.1Å; T805-M979 HydrophobicContact CG2-CE 3.72Å; T805-M979 HydrophobicContact CG2-CG 4.45Å
806	I	90.9	Very high	91.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-63.3	-51.1	170.2	-64.7	174.7	0	0	0	110.3	A329 E785 F789 L801 G802 T803 C808 I809 D810	A329-I806 HydrophobicContact CB-CD1 3.93Å; E785-I806 HydrophobicContact CB-CD1 3.98Å; E785-I806 HydrophobicContact CB-CG1 4Å; E785-I806 HydrophobicContact CB-CG2 4.48Å; E785-I806 HydrophobicContact CG-CG1 4.05Å; E785-I806 HydrophobicContact CG-CG2 4.37Å; F789-I806 HydrophobicContact CE2-CD1 3.79Å; L801-I806 HydrophobicContact CD2-CD1 4.3Å; L801-I806 HydrophobicContact CD2-CG1 3.68Å; L801-I806 HydrophobicContact CG-CG1 4.25Å; G802-I806 PolarHBondContact O-N 3.37Å; G802-I806 VanDerWaalsContact O-N 3.16Å; T803-I806 PolarHBondContact O-N 2.94Å; I806-C808 PolarHBondContact O-N 3.06Å; I806-C808 VanDerWaalsContact O-N 3.09Å; I806-I809 WeakPolarHBondContact O-CA 3.25Å; I806-I809 WeakPolarHBondContact O-CB 3.16Å; I806-I809 PolarHBondContact O-N 3.47Å; I806-D810 WeakPolarHBondContact CG2-OD2 3.5Å; I806-D810 PolarHBondContact O-N 2.71Å; I806-D810 VanDerWaalsContact O-N 3.15Å
807	L	88.1	Confident	92.1	Very high	20 Å²	20	16.2 Å²	16.2	11%	0.105	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-25.7	178.5	-65.7	170.3	0	0	0	113.4	L131 V134 L135 T803 I804 I809 L811	L131-L807 HydrophobicContact CD1-CD1 3.87Å; V134-L807 HydrophobicContact CG1-CD1 3.87Å; L135-L807 HydrophobicContact CD2-CD2 4.39Å; T803-L807 WeakPolarHBondContact O-CG 3.48Å; T803-L807 PolarHBondContact O-N 3.48Å; I804-L807 PolarHBondContact O-N 2.64Å; L807-I809 VanDerWaalsContact C-N 3.29Å; L807-L811 HydrophobicContact CD2-CD1 4.09Å; L807-L811 WeakPolarHBondContact O-CB 3.39Å; L807-L811 PolarHBondContact O-N 2.8Å
808	C	92.7	Very high	92.2	Very high	17 Å²	17	16.2 Å²	16.2	12%	0.115	10%	0.095	C	C	.	.	H	α-helix	trans	-72.7	-19.4	172.6	-65.8	0	0	0	0	113.5	I804 T805 I806 G812 T813 F922 L967 M979	I804-C808 PolarHBondContact O-N 2.69Å; I804-C808 VanDerWaalsContact O-N 3.16Å; I804-C808 PolarHBondContact O-SG 3.03Å; T805-C808 PolarHBondContact O-N 3.47Å; I806-C808 PolarHBondContact O-N 3.06Å; I806-C808 VanDerWaalsContact O-N 3.09Å; C808-G812 VanDerWaalsContact O-CA 3.25Å; C808-G812 WeakPolarHBondContact O-CA 3.34Å; C808-T813 PolarHBondContact O-N 3.41Å; C808-F922 HydrophobicContact CB-CD2 4.45Å; C808-F922 HydrophobicContact CB-CE2 3.93Å; C808-F922 HydrophobicContact CB-CZ 4.48Å; C808-L967 HydrophobicContact CB-CD1 4.39Å; C808-M979 HydrophobicContact CB-CE 3.78Å
809	I	93.8	Very high	92.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.103	C	C	.	.	I	π-helix	trans	-84.4	-67.1	174.9	-59.1	162.9	0	0	0	108.5	E785 T805 I806 L807 L811 G812 T813 D814 F922 I925	E785-I809 HydrophobicContact CG-CD1 4.23Å; E785-I809 WeakPolarHBondContact OE1-CG2 3.41Å; T805-I809 WeakPolarHBondContact O-CG1 3.3Å; T805-I809 PolarHBondContact O-N 3.33Å; I806-I809 WeakPolarHBondContact O-CA 3.25Å; I806-I809 WeakPolarHBondContact O-CB 3.16Å; I806-I809 PolarHBondContact O-N 3.47Å; L807-I809 VanDerWaalsContact C-N 3.29Å; I809-L811 VanDerWaalsContact C-N 3.32Å; I809-L811 PolarHBondContact O-N 2.7Å; I809-G812 CarbonylContact O-C 3.55Å; I809-G812 PolarHBondContact O-N 3.41Å; I809-T813 WeakPolarHBondContact CA-OG1 3.45Å; I809-T813 PolarHBondContact O-N 3.16Å; I809-D814 HydrophobicContact CG2-CB 4.36Å; I809-D814 VanDerWaalsContact CG2-CG 3.47Å; I809-D814 WeakPolarHBondContact CG2-OD1 3.43Å; I809-D814 PolarHBondContact O-N 3.09Å; I809-D814 VanDerWaalsContact O-N 3.11Å; I809-F922 HydrophobicContact CD1-CD2 4.04Å; I809-F922 HydrophobicContact CG1-CD2 3.53Å; I809-F922 HydrophobicContact CG1-CE2 3.75Å; I809-I925 HydrophobicContact CD1-CB 4.27Å; I809-I925 HydrophobicContact CD1-CD1 3.52Å; I809-I925 HydrophobicContact CD1-CG1 4.49Å; I809-I925 HydrophobicContact CD1-CG2 4.11Å; I809-I925 HydrophobicContact CG2-CG2 4.32Å
810	D	90.8	Very high	92.5	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.016	10%	0.097	C	C	.	.	I	π-helix	trans	-55.7	-39.8	-174.5	-78.8	-72.9	0	0	0	114.3	G334 I806 M815	G334-D810 WeakPolarHBondContact CA-O 3.34Å; I806-D810 WeakPolarHBondContact CG2-OD2 3.5Å; I806-D810 PolarHBondContact O-N 2.71Å; I806-D810 VanDerWaalsContact O-N 3.15Å; D810-M815 WeakPolarHBondContact O-CG 3.34Å
811	L	89.4	Confident	92.6	Very high	64 Å²	64	16.6 Å²	16.6	34%	0.335	10%	0.097	S	C	.	.	I	π-helix	trans	-107.1	-1	-176.2	-57.7	170.1	0	0	0	113	V138 E333 L807 I809	V138-L811 HydrophobicContact CG1-CD1 4.25Å; V138-L811 HydrophobicContact CG1-CD2 4.41Å; V138-L811 HydrophobicContact CG2-CD1 3.44Å; V138-L811 VanDerWaalsContact CG2-CD1 3.44Å; E333-L811 HydrophobicContact CB-CD2 3.94Å; E333-L811 HydrophobicContact CB-CG 4.33Å; L807-L811 HydrophobicContact CD2-CD1 4.09Å; L807-L811 WeakPolarHBondContact O-CB 3.39Å; L807-L811 PolarHBondContact O-N 2.8Å; I809-L811 VanDerWaalsContact C-N 3.32Å; I809-L811 PolarHBondContact O-N 2.7Å
812	G	93.1	Very high	92.6	Very high	20 Å²	20	16.7 Å²	16.7	21%	0.206	10%	0.098	C	C	.	.	I	π-helix	trans	-121.8	-92.5	-176.9	0	0	0	0	0	111.7	C808 I809 D814	C808-G812 VanDerWaalsContact O-CA 3.25Å; C808-G812 WeakPolarHBondContact O-CA 3.34Å; I809-G812 CarbonylContact O-C 3.55Å; I809-G812 PolarHBondContact O-N 3.41Å; G812-D814 PolarHBondContact O-N 3.19Å
813	T	95.7	Very high	93	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-62.5	-43	-168.3	56.2	0	0	0	0	113.5	C808 I809 M815 P817 F922 V926 L963 A964	C808-T813 PolarHBondContact O-N 3.41Å; I809-T813 WeakPolarHBondContact CA-OG1 3.45Å; I809-T813 PolarHBondContact O-N 3.16Å; T813-M815 VanDerWaalsContact C-N 3.33Å; T813-M815 PolarHBondContact O-N 3.35Å; T813-P817 WeakPolarHBondContact O-CD 3.45Å; T813-F922 HydrophobicContact CG2-CE2 3.94Å; T813-F922 HydrophobicContact CG2-CZ 3.7Å; T813-V926 HydrophobicContact CG2-CG2 3.92Å; T813-L963 HydrophobicContact CG2-CD2 4.29Å; T813-A964 HydrophobicContact CG2-CB 4.45Å
814	D	95.5	Very high	93.6	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.011	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-16.4	-169	-73.9	26.5	0	0	0	112.5	Y777 S781 I809 G812 V816 P817 A818 Q929	Y777-D814 HydrophobicContact CE1-CB 4.02Å; S781-D814 PolarHBondContact OG-OD2 3.47Å; I809-D814 HydrophobicContact CG2-CB 4.36Å; I809-D814 VanDerWaalsContact CG2-CG 3.47Å; I809-D814 WeakPolarHBondContact CG2-OD1 3.43Å; I809-D814 PolarHBondContact O-N 3.09Å; I809-D814 VanDerWaalsContact O-N 3.11Å; G812-D814 PolarHBondContact O-N 3.19Å; D814-V816 PolarHBondContact O-N 3.4Å; D814-P817 WeakPolarHBondContact O-CD 3.37Å; D814-A818 WeakPolarHBondContact O-CB 3.47Å; D814-A818 PolarHBondContact O-N 3.34Å; D814-Q929 PolarHBondContact OD2-NE2 3.18Å
815	M	92.3	Very high	94	Very high	41 Å²	41	19.3 Å²	19.3	20%	0.202	11%	0.111	C	C	.	.	H	α-helix	trans	-58.4	-51.1	-177.3	-76.2	-73.3	-71.2	0	0	113.1	A337 D810 T813 I819	A337-M815 HydrophobicContact CB-CE 4.2Å; D810-M815 WeakPolarHBondContact O-CG 3.34Å; T813-M815 VanDerWaalsContact C-N 3.33Å; T813-M815 PolarHBondContact O-N 3.35Å; M815-I819 HydrophobicContact CE-CD1 4.42Å; M815-I819 WeakPolarHBondContact O-CB 3.12Å; M815-I819 WeakPolarHBondContact O-CD1 3.44Å; M815-I819 WeakPolarHBondContact O-CG1 3.26Å; M815-I819 PolarHBondContact O-N 3.09Å
816	V	96.1	Very high	94.2	Very high	41 Å²	41	20.9 Å²	20.9	25%	0.248	12%	0.124	C	C	.	.	H	α-helix	trans	-71.3	-45.6	-176.7	-176.9	0	0	0	0	112	D814 I819 S820 F955 E959	D814-V816 PolarHBondContact O-N 3.4Å; V816-I819 PolarHBondContact O-N 3.44Å; V816-S820 WeakPolarHBondContact O-CB 3.39Å; V816-S820 PolarHBondContact O-N 3.15Å; V816-F955 HydrophobicContact CG1-CD1 4.33Å; V816-F955 HydrophobicContact CG1-CE1 4.38Å; V816-E959 WeakPolarHBondContact CB-OE2 3.2Å; V816-E959 VanDerWaalsContact CG2-OE2 3.25Å; V816-E959 WeakPolarHBondContact CG2-OE2 3.11Å
817	P	97.1	Very high	94.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-54.9	-47.6	169.3	-26.9	35.8	0	0	0	113.4	Y777 T813 D814 I819 S820 L821 V933 E960	Y777-P817 HydrophobicContact CE1-CB 3.8Å; Y777-P817 VanDerWaalsContact OH-CB 3.29Å; Y777-P817 WeakPolarHBondContact OH-CB 3.34Å; T813-P817 WeakPolarHBondContact O-CD 3.45Å; D814-P817 WeakPolarHBondContact O-CD 3.37Å; P817-I819 PolarHBondContact O-N 3.19Å; P817-S820 WeakPolarHBondContact O-CB 3.46Å; P817-S820 PolarHBondContact O-N 2.81Å; P817-S820 VanDerWaalsContact O-N 3.1Å; P817-S820 PolarHBondContact O-OG 3.25Å; P817-L821 PolarHBondContact O-N 3.49Å; P817-V933 HydrophobicContact CB-CG2 4.06Å; P817-E960 HydrophobicContact CG-CB 4.06Å; P817-E960 HydrophobicContact CG-CG 4.11Å
818	A	95.8	Very high	94.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-41.4	-178.7	0	0	0	0	0	112.5	T338 S774 Y777 D814 S820	T338-A818 HydrophobicContact CG2-CB 3.83Å; S774-A818 PolarHBondContact OG-O 2.95Å; Y777-A818 HydrophobicContact CD1-CB 3.74Å; Y777-A818 HydrophobicContact CE1-CB 3.89Å; D814-A818 WeakPolarHBondContact O-CB 3.47Å; D814-A818 PolarHBondContact O-N 3.34Å; A818-S820 VanDerWaalsContact C-N 3.32Å
819	I	95.4	Very high	94.6	Very high	32 Å²	32	28.5 Å²	28.5	16%	0.164	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-35.2	173.6	-69.2	164.9	0	0	0	111.1	T338 V341 L345 M815 V816 P817 L821 A822	T338-I819 HydrophobicContact CG2-CG1 3.97Å; V341-I819 HydrophobicContact CB-CD1 4.28Å; V341-I819 HydrophobicContact CB-CG1 4.35Å; V341-I819 HydrophobicContact CG1-CD1 4.04Å; V341-I819 HydrophobicContact CG1-CG1 4.15Å; V341-I819 HydrophobicContact CG1-CG2 3.77Å; V341-I819 HydrophobicContact CG2-CD1 4.43Å; L345-I819 HydrophobicContact CD1-CG2 3.89Å; M815-I819 HydrophobicContact CE-CD1 4.42Å; M815-I819 WeakPolarHBondContact O-CB 3.12Å; M815-I819 WeakPolarHBondContact O-CD1 3.44Å; M815-I819 WeakPolarHBondContact O-CG1 3.26Å; M815-I819 PolarHBondContact O-N 3.09Å; V816-I819 PolarHBondContact O-N 3.44Å; P817-I819 PolarHBondContact O-N 3.19Å; I819-L821 PolarHBondContact O-N 3.22Å; I819-A822 WeakPolarHBondContact O-CB 3.5Å; I819-A822 PolarHBondContact O-N 3.16Å; I819-A822 VanDerWaalsContact O-N 3.15Å
820	S	97.3	Very high	94.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-27.3	-178.3	85.2	0	0	0	0	113.7	V816 P817 A818 A822 Y823 N950 L953	V816-S820 WeakPolarHBondContact O-CB 3.39Å; V816-S820 PolarHBondContact O-N 3.15Å; P817-S820 WeakPolarHBondContact O-CB 3.46Å; P817-S820 PolarHBondContact O-N 2.81Å; P817-S820 VanDerWaalsContact O-N 3.1Å; P817-S820 PolarHBondContact O-OG 3.25Å; A818-S820 VanDerWaalsContact C-N 3.32Å; S820-A822 PolarHBondContact O-N 3.11Å; S820-Y823 WeakPolarHBondContact O-CB 3.48Å; S820-Y823 PolarHBondContact O-N 3.42Å; S820-N950 PolarHBondContact O-ND2 3.09Å; S820-L953 VanDerWaalsContact CB-CA 3.49Å; S820-L953 VanDerWaalsContact OG-CA 3.3Å; S820-L953 WeakPolarHBondContact OG-CA 3.4Å; S820-L953 WeakPolarHBondContact OG-CB 3.05Å
821	L	96.8	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-66.4	-21.5	178.4	-69.8	166.5	0	0	0	112.6	K773 Y777 P817 I819 Y823 E824 V933 L953	K773-L821 HydrophobicContact CB-CB 4.47Å; K773-L821 HydrophobicContact CB-CD1 4.41Å; Y777-L821 HydrophobicContact CD1-CD1 4.44Å; Y777-L821 HydrophobicContact CG-CD1 4.2Å; P817-L821 PolarHBondContact O-N 3.49Å; I819-L821 PolarHBondContact O-N 3.22Å; L821-Y823 PolarHBondContact O-N 2.88Å; L821-E824 HydrophobicContact CD2-CG 4.41Å; L821-E824 WeakPolarHBondContact O-CB 3.11Å; L821-E824 PolarHBondContact O-N 2.93Å; L821-E824 VanDerWaalsContact O-N 3.15Å; L821-V933 HydrophobicContact CD1-CG2 4.24Å; L821-V933 HydrophobicContact CD2-CG2 4.19Å; L821-V933 HydrophobicContact CG-CG2 4.19Å; L821-L953 HydrophobicContact CD2-CD1 3.97Å
822	A	94.1	Very high	95	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.017	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-67.8	-17.2	171.2	0	0	0	0	0	114	C342 R349 I767 N770 I819 S820 E824	C342-A822 HydrophobicContact CB-CB 3.81Å; C342-A822 VanDerWaalsContact SG-CB 3.58Å; R349-A822 PolarHBondContact NH2-O 3.48Å; I767-A822 HydrophobicContact CD1-CB 4.13Å; N770-A822 PolarHBondContact ND2-O 3.02Å; I819-A822 WeakPolarHBondContact O-CB 3.5Å; I819-A822 PolarHBondContact O-N 3.16Å; I819-A822 VanDerWaalsContact O-N 3.15Å; S820-A822 PolarHBondContact O-N 3.11Å; A822-E824 VanDerWaalsContact C-N 3.34Å
823	Y	95.6	Very high	95	Very high	94 Å²	94	37.6 Å²	37.6	37%	0.369	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-86.5	-0.3	173.4	-72.2	-87.8	0	0	0	113.8	L345 S820 L821 I952	L345-Y823 HydrophobicContact CD1-CE2 3.62Å; L345-Y823 WeakPolarHBondContact CD2-OH 3.42Å; S820-Y823 WeakPolarHBondContact O-CB 3.48Å; S820-Y823 PolarHBondContact O-N 3.42Å; L821-Y823 PolarHBondContact O-N 2.88Å; Y823-I952 HydrophobicContact CD1-CG1 4.19Å; Y823-I952 HydrophobicContact CD2-CB 4.01Å; Y823-I952 HydrophobicContact CD2-CG1 3.88Å; Y823-I952 HydrophobicContact CD2-CG2 3.97Å; Y823-I952 HydrophobicContact CE1-CG1 4.34Å; Y823-I952 HydrophobicContact CE2-CB 4.38Å; Y823-I952 HydrophobicContact CE2-CG1 4.02Å; Y823-I952 HydrophobicContact CE2-CG2 4.04Å; Y823-I952 HydrophobicContact CG-CB 4.34Å; Y823-I952 HydrophobicContact CG-CG1 3.95Å
824	E	96.8	Very high	95.1	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.028	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-64.4	143.3	176	-79.5	-57.4	134.3	0	0	112.6	N770 L821 A822 K937 N950	N770-E824 PolarHBondContact ND2-O 3.28Å; L821-E824 HydrophobicContact CD2-CG 4.41Å; L821-E824 WeakPolarHBondContact O-CB 3.11Å; L821-E824 PolarHBondContact O-N 2.93Å; L821-E824 VanDerWaalsContact O-N 3.15Å; A822-E824 VanDerWaalsContact C-N 3.34Å; E824-K937 HydrophobicContact CG-CG 3.96Å; E824-K937 WeakPolarHBondContact OE1-CE 3.44Å; E824-K937 WeakPolarHBondContact OE1-CG 3.48Å; E824-K937 IonicContact OE1-NZ 3.19Å; E824-K937 PolarHBondContact OE1-NZ 3.21Å; E824-K937 VanDerWaalsContact OE1-NZ 3.15Å; E824-K937 IonicContact OE2-NZ 3.95Å; E824-K937 PolarHBondContact OE2-NZ 3.1Å; E824-N950 WeakPolarHBondContact OE1-CB 3.31Å; E824-N950 PolarHBondContact OE1-ND2 2.8Å
825	A	95.4	Very high	95.1	Very high	58 Å²	58	44.8 Å²	44.8	48%	0.479	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-86.2	160.5	174.1	0	0	0	0	0	110.5	Q946	A825-Q946 PolarHBondContact O-NE2 3.22Å
826	A	95.2	Very high	95.2	Very high	36 Å²	36	44.3 Å²	44.3	30%	0.298	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-56.1	142.7	176.5	0	0	0	0	0	112.1	L766 S828 I830 Q946	L766-A826 HydrophobicContact CD1-CB 4.2Å; A826-S828 WeakPolarHBondContact CB-O 3.41Å; A826-I830 HydrophobicContact CB-CD1 4.18Å; A826-I830 HydrophobicContact CB-CG1 4.34Å; A826-I830 HydrophobicContact CB-CG2 4.13Å; A826-Q946 PolarHBondContact O-NE2 3.29Å
827	E	94.2	Very high	95.2	Very high	36 Å²	36	45.7 Å²	45.7	17%	0.168	24%	0.236	C	C	.	.	S	Bend	trans	-84.5	-18.9	175.1	-73.9	176.8	-118.7	0	0	112.4	K773 T938 R939 R940 N941	K773-E827 WeakPolarHBondContact CE-OE1 3.41Å; K773-E827 IonicContact NZ-OE1 3.98Å; K773-E827 PolarHBondContact NZ-OE1 3.15Å; E827-T938 HydrophobicContact CG-CG2 4.39Å; E827-T938 WeakPolarHBondContact OE1-CA 3.33Å; E827-R939 VanDerWaalsContact CD-N 3.34Å; E827-R939 PolarHBondContact OE1-N 3.34Å; E827-R939 PolarHBondContact OE2-N 3.48Å; E827-R940 PolarHBondContact OE2-N 3.47Å; E827-N941 HydrophobicContact CB-CB 4.49Å; E827-N941 HydrophobicContact CG-CB 4.26Å; E827-N941 PolarHBondContact O-ND2 2.95Å; E827-N941 PolarHBondContact OE2-N 3.45Å
828	S	93.4	Very high	94.9	Very high	81 Å²	81	47.2 Å²	47.2	57%	0.566	25%	0.246	S	C	*	.	S	Bend	trans	-151.6	176.6	179.6	63.3	0	0	0	0	110.2	A826 I830	A826-S828 WeakPolarHBondContact CB-O 3.41Å; S828-I830 PolarHBondContact O-N 3.01Å
829	D	93.4	Very high	94.6	Very high	81 Å²	81	54.1 Å²	54.1	43%	0.433	28%	0.282	S	S	.	.			trans	-70	90	174.6	-170.9	-20.6	0	0	0	110.9	M831 K832	D829-M831 PolarHBondContact O-N 3.42Å; D829-M831 PolarHBondContact OD1-N 3.04Å; D829-M831 VanDerWaalsContact OD1-N 3.15Å; D829-K832 HydrophobicContact CB-CB 4.46Å; D829-K832 HydrophobicContact CB-CD 4.22Å; D829-K832 HydrophobicContact CB-CG 4.39Å; D829-K832 PolarHBondContact O-N 3.15Å; D829-K832 VanDerWaalsContact O-N 3.15Å; D829-K832 PolarHBondContact OD1-N 3.45Å; D829-K832 VanDerWaalsContact OD2-CD 3.23Å; D829-K832 WeakPolarHBondContact OD2-CD 3.27Å; D829-K832 WeakPolarHBondContact OD2-CE 3.49Å; D829-K832 WeakPolarHBondContact OD2-CG 3.25Å; D829-K832 IonicContact OD2-NZ 2.69Å; D829-K832 PolarHBondContact OD2-NZ 3.29Å
830	I	93.8	Very high	94.3	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.4	-179.7	58.5	177	0	0	0	113.7	E762 R765 L766 A826 S828 R833	E762-I830 HydrophobicContact CG-CD1 3.9Å; E762-I830 HydrophobicContact CG-CG1 4.2Å; E762-I830 WeakPolarHBondContact O-CD1 3.22Å; R765-I830 HydrophobicContact CB-CB 4.44Å; R765-I830 HydrophobicContact CB-CD1 4.03Å; R765-I830 WeakPolarHBondContact CD-O 3.23Å; R765-I830 PolarHBondContact NH1-O 3.26Å; L766-I830 HydrophobicContact CB-CD1 3.93Å; A826-I830 HydrophobicContact CB-CD1 4.18Å; A826-I830 HydrophobicContact CB-CG1 4.34Å; A826-I830 HydrophobicContact CB-CG2 4.13Å; S828-I830 PolarHBondContact O-N 3.01Å; I830-R833 WeakPolarHBondContact O-CG 3.35Å
831	M	94.4	Very high	94.1	Very high	28 Å²	28	66.1 Å²	66.1	14%	0.138	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.1	174.7	-63.3	-55.7	-72.6	0	0	113	A608 V758 V761 E762 D829	A608-M831 WeakPolarHBondContact CA-O 3.42Å; A608-M831 HydrophobicContact CB-CE 4.05Å; A608-M831 WeakPolarHBondContact CB-O 3.5Å; A608-M831 PolarHBondContact N-O 2.98Å; V758-M831 HydrophobicContact CG1-CE 3.67Å; V761-M831 HydrophobicContact CB-CE 4.2Å; V761-M831 HydrophobicContact CG1-CE 3.92Å; V761-M831 HydrophobicContact CG1-SD 4.02Å; E762-M831 HydrophobicContact CB-CG 4.27Å; E762-M831 HydrophobicContact CB-SD 3.79Å; E762-M831 HydrophobicContact CG-CG 4.22Å; E762-M831 HydrophobicContact CG-SD 4.3Å; D829-M831 PolarHBondContact O-N 3.42Å; D829-M831 PolarHBondContact OD1-N 3.04Å; D829-M831 VanDerWaalsContact OD1-N 3.15Å
832	K	94.1	Very high	94	Very high	158 Å²	158	68.3 Å²	68.3	69%	0.687	34%	0.341	S	S	*	.	S	Bend	trans	-98.9	-13.8	170.3	-74.3	-179.3	179.1	128.6	0	114.9	D829	D829-K832 HydrophobicContact CB-CB 4.46Å; D829-K832 HydrophobicContact CB-CD 4.22Å; D829-K832 HydrophobicContact CB-CG 4.39Å; D829-K832 PolarHBondContact O-N 3.15Å; D829-K832 VanDerWaalsContact O-N 3.15Å; D829-K832 PolarHBondContact OD1-N 3.45Å; D829-K832 VanDerWaalsContact OD2-CD 3.23Å; D829-K832 WeakPolarHBondContact OD2-CD 3.27Å; D829-K832 WeakPolarHBondContact OD2-CE 3.49Å; D829-K832 WeakPolarHBondContact OD2-CG 3.25Å; D829-K832 IonicContact OD2-NZ 2.69Å; D829-K832 PolarHBondContact OD2-NZ 3.29Å
833	R	93.5	Very high	94	Very high	86 Å²	86	68.3 Å²	68.3	33%	0.325	34%	0.341	S	S	.	.	S	Bend	trans	-80.5	153.2	174.4	68.3	175.5	-176.7	-155.5	0.9	111.1	A608 R765 D769 I830	A608-R833 CarbonylContact C-O 3.59Å; R765-R833 PolarHBondContact NH1-O 2.89Å; R765-R833 PolarHBondContact O-NH2 3.48Å; D769-R833 IonicContact OD1-NH1 2.61Å; D769-R833 IonicContact OD1-NH2 3.66Å; D769-R833 IonicContact OD2-CZ 3.9Å; D769-R833 IonicContact OD2-NH1 2.67Å; D769-R833 PolarHBondContact OD2-NH1 3.35Å; D769-R833 IonicContact OD2-NH2 3.33Å; D769-R833 PolarHBondContact OD2-NH2 3.08Å; I830-R833 WeakPolarHBondContact O-CG 3.35Å
834	Q	95.9	Very high	93.9	Very high	129 Å²	129	63.9 Å²	63.9	60%	0.603	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-63.5	159.9	169.9	-64.8	-64.4	-49.3	0	0	111.2
835	P	96.5	Very high	93.8	Very high	24 Å²	24	65 Å²	65	16%	0.156	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-56.5	147.7	167.5	-20.5	33.4	0	0	0	110.9	T369 A608 G609 I610	T369-P835 WeakPolarHBondContact O-CB 3.49Å; A608-P835 WeakPolarHBondContact O-CD 3.38Å; G609-P835 WeakPolarHBondContact O-CD 3.4Å; I610-P835 HydrophobicContact CG1-CG 4.09Å
836	R	95.1	Very high	93.6	Very high	30 Å²	30	70.7 Å²	70.7	11%	0.113	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-66	145.7	178.3	77.4	170.8	177.3	106.4	-3.4	110.5	E286 E364 S368 F768 P838 D841	E286-R836 IonicContact OE1-CZ 3.55Å; E286-R836 IonicContact OE1-NH1 2.71Å; E286-R836 PolarHBondContact OE1-NH1 2.8Å; E286-R836 IonicContact OE1-NH2 3.4Å; E364-R836 IonicContact OE1-CZ 2.7Å; E364-R836 IonicContact OE1-NE 3.59Å; E364-R836 PolarHBondContact OE1-NE 3.08Å; E364-R836 IonicContact OE1-NH2 3.72Å; E364-R836 PolarHBondContact OE1-NH2 2.92Å; S368-R836 PolarHBondContact OG-NE 3.29Å; F768-R836 VanDerWaalsContact CE2-CZ 3.44Å; F768-R836 VanDerWaalsContact CZ-CD 3.48Å; R836-P838 WeakPolarHBondContact O-CD 3.28Å; R836-D841 HydrophobicContact CB-CB 3.91Å; R836-D841 PolarHBondContact NH1-O 2.63Å
837	N	94.4	Very high	93.6	Very high	70 Å²	70	73.5 Å²	73.5	37%	0.374	35%	0.349	S	S	.	.			trans	-82.8	113.9	171.9	-175.7	-61.9	0	0	0	109.4	L839 R840 D841	N837-L839 PolarHBondContact O-N 2.98Å; N837-L839 WeakPolarHBondContact OD1-CB 3.41Å; N837-L839 PolarHBondContact OD1-N 3.5Å; N837-R840 HydrophobicContact CB-CB 4.35Å; N837-R840 PolarHBondContact O-N 3.41Å; N837-R840 VanDerWaalsContact O-N 3.11Å; N837-R840 PolarHBondContact OD1-N 3.42Å; N837-D841 WeakPolarHBondContact CB-OD2 3.3Å; N837-D841 PolarHBondContact N-OD2 2.74Å; N837-D841 WeakPolarHBondContact O-CB 3.38Å; N837-D841 PolarHBondContact O-N 3.22Å
838	P	91.3	Very high	93.7	Very high	33 Å²	33	71.8 Å²	71.8	21%	0.214	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.9	-173.1	27.8	-36.2	0	0	0	114.2	I710 R836 K842	I710-P838 HydrophobicContact CD1-CB 4.45Å; I710-P838 HydrophobicContact CD1-CG 4.28Å; I710-P838 HydrophobicContact CG1-CG 4.36Å; R836-P838 WeakPolarHBondContact O-CD 3.28Å; P838-K842 WeakPolarHBondContact O-CE 3.43Å; P838-K842 PolarHBondContact O-NZ 3.29Å
839	L	89.9	Confident	93.7	Very high	147 Å²	147	69.5 Å²	69.5	77%	0.77	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-30.2	175.3	-58.4	177.2	0	0	0	112.8	N837	N837-L839 PolarHBondContact O-N 2.98Å; N837-L839 WeakPolarHBondContact OD1-CB 3.41Å; N837-L839 PolarHBondContact OD1-N 3.5Å
840	R	89.6	Confident	93.8	Very high	206 Å²	206	67.8 Å²	67.8	78%	0.777	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-43.8	-176.1	-64.2	-177.2	176.5	179	-0.7	113.3	N837 K842	N837-R840 HydrophobicContact CB-CB 4.35Å; N837-R840 PolarHBondContact O-N 3.41Å; N837-R840 VanDerWaalsContact O-N 3.11Å; N837-R840 PolarHBondContact OD1-N 3.42Å; R840-K842 VanDerWaalsContact C-N 3.33Å; R840-K842 PolarHBondContact O-N 3Å; R840-K842 VanDerWaalsContact O-N 3.08Å
841	D	92.6	Very high	93.9	Very high	78 Å²	78	67.8 Å²	67.8	42%	0.417	32%	0.316	S	S	.	.	S	Bend	trans	-91.1	71.6	-172.4	-57.8	-46.1	0	0	0	110.1	R836 N837	R836-D841 HydrophobicContact CB-CB 3.91Å; R836-D841 PolarHBondContact NH1-O 2.63Å; N837-D841 WeakPolarHBondContact CB-OD2 3.3Å; N837-D841 PolarHBondContact N-OD2 2.74Å; N837-D841 WeakPolarHBondContact O-CB 3.38Å; N837-D841 PolarHBondContact O-N 3.22Å
842	K	94.2	Very high	94	Very high	46 Å²	46	66.5 Å²	66.5	20%	0.2	31%	0.31	C	S	.	.			trans	-72.7	153.4	178.6	-61.9	-54.8	-168.2	-178.7	0	112.8	E286 K772 P838 R840 V844	E286-K842 WeakPolarHBondContact OE1-CD 3.43Å; E286-K842 IonicContact OE1-NZ 2.71Å; E286-K842 PolarHBondContact OE1-NZ 3.15Å; E286-K842 VanDerWaalsContact OE2-CA 3.28Å; E286-K842 WeakPolarHBondContact OE2-CA 3.44Å; E286-K842 VanDerWaalsContact OE2-CD 3.31Å; E286-K842 WeakPolarHBondContact OE2-CD 3.25Å; K772-K842 WeakPolarHBondContact CE-O 3.24Å; K772-K842 PolarHBondContact NZ-O 2.9Å; P838-K842 WeakPolarHBondContact O-CE 3.43Å; P838-K842 PolarHBondContact O-NZ 3.29Å; R840-K842 VanDerWaalsContact C-N 3.33Å; R840-K842 PolarHBondContact O-N 3Å; R840-K842 VanDerWaalsContact O-N 3.08Å; K842-V844 WeakPolarHBondContact CB-O 3.46Å
843	L	94.4	Very high	94	Very high	1 Å²	1	60 Å²	60	1%	0.005	28%	0.281	C	S	.	.	S	Bend	trans	-65.3	-50.8	174.2	-178.6	65.5	0	0	0	110.5	I283 E286 F768 L771 K772 I775	I283-L843 HydrophobicContact CD1-CD2 3.86Å; E286-L843 HydrophobicContact CB-CB 3.73Å; E286-L843 HydrophobicContact CB-CD2 4.07Å; E286-L843 HydrophobicContact CG-CB 4.09Å; E286-L843 PolarHBondContact OE2-N 3.05Å; F768-L843 HydrophobicContact CD2-CD1 4.09Å; F768-L843 HydrophobicContact CE2-CB 3.98Å; F768-L843 HydrophobicContact CE2-CD1 3.91Å; F768-L843 HydrophobicContact CZ-CB 4.21Å; F768-L843 HydrophobicContact CZ-CD1 4.34Å; L771-L843 HydrophobicContact CB-CD1 3.99Å; K772-L843 VanDerWaalsContact CE-O 3.22Å; K772-L843 WeakPolarHBondContact CE-O 3.42Å; K772-L843 HydrophobicContact CG-CD1 3.92Å; K772-L843 WeakPolarHBondContact CG-O 3.36Å; I775-L843 HydrophobicContact CD1-CD1 4.15Å; I775-L843 HydrophobicContact CD1-CD2 3.66Å; I775-L843 HydrophobicContact CD1-CG 3.79Å
844	V	94.5	Very high	94	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.29	C	S	.	.	S	Bend	trans	-112.4	127.9	169.7	-178.7	0	0	0	0	108.2	F290 I775 K842 L848 I849	F290-V844 HydrophobicContact CB-CB 4.24Å; F290-V844 HydrophobicContact CB-CG2 4.04Å; F290-V844 HydrophobicContact CD2-CB 3.97Å; F290-V844 HydrophobicContact CD2-CG1 4.07Å; F290-V844 HydrophobicContact CD2-CG2 3.53Å; F290-V844 HydrophobicContact CE2-CG2 4.22Å; F290-V844 HydrophobicContact CG-CB 4.45Å; F290-V844 HydrophobicContact CG-CG2 3.9Å; I775-V844 HydrophobicContact CD1-CG2 4.38Å; I775-V844 HydrophobicContact CG2-CG2 3.71Å; K842-V844 WeakPolarHBondContact CB-O 3.46Å; V844-L848 HydrophobicContact CG1-CD2 4.41Å; V844-L848 HydrophobicContact CG2-CD1 4.38Å; V844-I849 HydrophobicContact CG1-CD1 3.9Å; V844-I849 HydrophobicContact CG1-CG1 4.23Å
845	N	93.4	Very high	94.1	Very high	30 Å²	30	54 Å²	54	16%	0.16	27%	0.27	C	S	.	.			trans	-132	168.7	-179.5	58.8	27.7	0	0	0	109.7	R847 L848 I849 Y1022	N845-R847 PolarHBondContact O-N 3.4Å; N845-R847 VanDerWaalsContact O-N 3.12Å; N845-R847 WeakPolarHBondContact OD1-CB 3.1Å; N845-R847 PolarHBondContact OD1-N 3.15Å; N845-L848 WeakPolarHBondContact O-CB 3.38Å; N845-L848 PolarHBondContact O-N 3.46Å; N845-L848 PolarHBondContact OD1-N 3.19Å; N845-I849 PolarHBondContact O-N 3.43Å; N845-Y1022 PolarHBondContact ND2-OXT 2.91Å
846	E	92.6	Very high	94.1	Very high	178 Å²	178	52.8 Å²	52.8	83%	0.832	26%	0.263	S	S	*	.	H	α-helix	trans	-56.7	-29.7	-179.1	-63.8	172	176.7	0	0	112.8	S850	E846-S850 VanDerWaalsContact O-CB 3.25Å; E846-S850 WeakPolarHBondContact O-CB 3.39Å; E846-S850 PolarHBondContact O-N 2.85Å
847	R	94.7	Very high	94.2	Very high	95 Å²	95	51.4 Å²	51.4	36%	0.358	26%	0.257	S	S	.	.	H	α-helix	trans	-68.9	-38.4	176.9	-55	179	-179.9	162.5	0.1	112.8	N845 S850 I851 K1018 E1019 Y1021	N845-R847 PolarHBondContact O-N 3.4Å; N845-R847 VanDerWaalsContact O-N 3.12Å; N845-R847 WeakPolarHBondContact OD1-CB 3.1Å; N845-R847 PolarHBondContact OD1-N 3.15Å; R847-S850 PolarHBondContact O-N 3.46Å; R847-I851 PolarHBondContact O-N 3.44Å; R847-K1018 PolarHBondContact NE-O 3.22Å; R847-K1018 PolarHBondContact NH2-O 3.11Å; R847-E1019 WeakPolarHBondContact CB-O 3.17Å; R847-E1019 WeakPolarHBondContact CG-O 3.22Å; R847-Y1021 WeakPolarHBondContact CD-O 3.35Å; R847-Y1021 PolarHBondContact NH1-O 2.99Å
848	L	95.8	Very high	94.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-48.9	176.3	-164	156.1	0	0	0	109.3	A776 L779 V844 N845 S850 I851 S852 Y1022	A776-L848 HydrophobicContact CB-CD1 4.3Å; A776-L848 HydrophobicContact CB-CD2 4.05Å; A776-L848 HydrophobicContact CB-CG 4.07Å; L779-L848 HydrophobicContact CD1-CD2 3.85Å; V844-L848 HydrophobicContact CG1-CD2 4.41Å; V844-L848 HydrophobicContact CG2-CD1 4.38Å; N845-L848 WeakPolarHBondContact O-CB 3.38Å; N845-L848 PolarHBondContact O-N 3.46Å; N845-L848 PolarHBondContact OD1-N 3.19Å; L848-S850 PolarHBondContact O-N 3.34Å; L848-I851 PolarHBondContact O-N 3.38Å; L848-S852 PolarHBondContact O-N 2.97Å; L848-Y1022 HydrophobicContact CB-CG 4.23Å; L848-Y1022 HydrophobicContact CD1-CD2 4.03Å; L848-Y1022 HydrophobicContact CG-CD2 4.09Å; L848-Y1022 HydrophobicContact CG-CG 4.23Å
849	I	94.6	Very high	94.7	Very high	33 Å²	33	51.8 Å²	51.8	17%	0.169	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-42	175.5	-54.9	-57.1	0	0	0	111.1	I294 L779 V844 N845 I851 Y853 G854	I294-I849 HydrophobicContact CD1-CD1 4.32Å; L779-I849 HydrophobicContact CD1-CD1 4.11Å; V844-I849 HydrophobicContact CG1-CD1 3.9Å; V844-I849 HydrophobicContact CG1-CG1 4.23Å; N845-I849 PolarHBondContact O-N 3.43Å; I849-I851 VanDerWaalsContact C-N 3.29Å; I849-I851 PolarHBondContact O-N 3.15Å; I849-Y853 HydrophobicContact CG2-CD2 4.39Å; I849-Y853 HydrophobicContact CG2-CG 4.18Å; I849-Y853 WeakPolarHBondContact O-CA 3.41Å; I849-Y853 VanDerWaalsContact O-CB 3.31Å; I849-Y853 WeakPolarHBondContact O-CB 3.4Å; I849-Y853 PolarHBondContact O-N 2.71Å; I849-G854 PolarHBondContact O-N 3.23Å; I849-G854 VanDerWaalsContact O-N 3.09Å
850	S	95.1	Very high	95.1	Very high	45 Å²	45	44.8 Å²	44.8	32%	0.315	22%	0.219	S	C	.	.	H	α-helix	trans	-58.6	-38.1	176.8	-177.6	0	0	0	0	112.9	E846 R847 L848 G854 Q855	E846-S850 VanDerWaalsContact O-CB 3.25Å; E846-S850 WeakPolarHBondContact O-CB 3.39Å; E846-S850 PolarHBondContact O-N 2.85Å; R847-S850 PolarHBondContact O-N 3.46Å; L848-S850 PolarHBondContact O-N 3.34Å; S850-G854 CarbonylContact O-C 3.55Å; S850-G854 WeakPolarHBondContact O-CA 3.44Å; S850-G854 PolarHBondContact O-N 3.42Å; S850-Q855 WeakPolarHBondContact O-CG 3.32Å; S850-Q855 PolarHBondContact O-N 3.4Å; S850-Q855 PolarHBondContact O-NE2 3.49Å; S850-Q855 PolarHBondContact OG-NE2 3Å
851	I	95.9	Very high	95.5	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-79.1	-56.2	176.8	-79.4	-76.9	0	0	0	112	R847 L848 I849 Q855 I856 T1020 Y1022	R847-I851 PolarHBondContact O-N 3.44Å; L848-I851 PolarHBondContact O-N 3.38Å; I849-I851 VanDerWaalsContact C-N 3.29Å; I849-I851 PolarHBondContact O-N 3.15Å; I851-Q855 WeakPolarHBondContact O-CB 3.47Å; I851-Q855 PolarHBondContact O-N 2.86Å; I851-I856 HydrophobicContact CG2-CG1 4.17Å; I851-I856 PolarHBondContact O-N 2.83Å; I851-T1020 HydrophobicContact CD1-CG2 4Å; I851-T1020 HydrophobicContact CG1-CG2 4.27Å; I851-Y1022 HydrophobicContact CB-CD1 4.35Å; I851-Y1022 HydrophobicContact CB-CE1 4.48Å; I851-Y1022 HydrophobicContact CG1-CD1 4.49Å; I851-Y1022 HydrophobicContact CG2-CD1 4.33Å; I851-Y1022 HydrophobicContact CG2-CE1 3.96Å
852	S	95.3	Very high	95.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	19%	0.188	C	C	.	.	I	π-helix	trans	-66.6	-59.6	-176.2	-66.9	0	0	0	0	111.2	A776 T780 L848 G857	A776-S852 PolarHBondContact O-OG 2.98Å; T780-S852 PolarHBondContact OG1-OG 3.36Å; L848-S852 PolarHBondContact O-N 2.97Å; S852-G857 WeakPolarHBondContact O-CA 3.49Å; S852-G857 PolarHBondContact O-N 3.4Å
853	Y	94.1	Very high	95.9	Very high	21 Å²	21	34 Å²	34	8%	0.082	18%	0.178	C	C	.	.	I	π-helix	trans	-75.4	-46.7	-178.3	-82.1	36	0	0	0	111.8	V297 L779 N782 I783 I849	V297-Y853 HydrophobicContact CG1-CE2 4.21Å; L779-Y853 HydrophobicContact CB-CD1 4.35Å; L779-Y853 HydrophobicContact CB-CE1 3.88Å; L779-Y853 HydrophobicContact CD2-CE1 4.04Å; L779-Y853 HydrophobicContact CG-CE1 4.46Å; L779-Y853 WeakPolarHBondContact O-CD1 3.38Å; L779-Y853 WeakPolarHBondContact O-CE1 3.46Å; N782-Y853 HydrophobicContact CB-CE1 4.07Å; I783-Y853 HydrophobicContact CD1-CD1 4.38Å; I783-Y853 HydrophobicContact CD1-CD2 3.66Å; I783-Y853 HydrophobicContact CD1-CE2 4.22Å; I783-Y853 HydrophobicContact CD1-CG 3.73Å; I783-Y853 HydrophobicContact CG1-CD1 4.28Å; I783-Y853 HydrophobicContact CG1-CD2 4.41Å; I783-Y853 HydrophobicContact CG1-CG 3.99Å; I849-Y853 HydrophobicContact CG2-CD2 4.39Å; I849-Y853 HydrophobicContact CG2-CG 4.18Å; I849-Y853 WeakPolarHBondContact O-CA 3.41Å; I849-Y853 VanDerWaalsContact O-CB 3.31Å; I849-Y853 WeakPolarHBondContact O-CB 3.4Å; I849-Y853 PolarHBondContact O-N 2.71Å
854	G	94.3	Very high	96	Very high	48 Å²	48	34 Å²	34	50%	0.495	18%	0.179	S	C	.	.	I	π-helix	trans	-78.5	-22.4	-169.2	0	0	0	0	0	115.8	I849 S850	I849-G854 PolarHBondContact O-N 3.23Å; I849-G854 VanDerWaalsContact O-N 3.09Å; S850-G854 CarbonylContact O-C 3.55Å; S850-G854 WeakPolarHBondContact O-CA 3.44Å; S850-G854 PolarHBondContact O-N 3.42Å
855	Q	97.1	Very high	96.2	Very high	41 Å²	41	34.6 Å²	34.6	19%	0.192	18%	0.181	C	C	.	.	I	π-helix	trans	-129.3	-65.5	-168.6	-66.9	162.4	56.6	0	0	112.4	S850 I851 M858 I859 Y1000	S850-Q855 WeakPolarHBondContact O-CG 3.32Å; S850-Q855 PolarHBondContact O-N 3.4Å; S850-Q855 PolarHBondContact O-NE2 3.49Å; S850-Q855 PolarHBondContact OG-NE2 3Å; I851-Q855 WeakPolarHBondContact O-CB 3.47Å; I851-Q855 PolarHBondContact O-N 2.86Å; Q855-M858 PolarHBondContact O-N 3.11Å; Q855-I859 WeakPolarHBondContact O-CG1 3.26Å; Q855-I859 PolarHBondContact O-N 2.98Å; Q855-Y1000 PolarHBondContact OE1-OH 2.97Å
856	I	97.9	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	I	π-helix	trans	-70.7	-49.5	-174.2	-52.1	-57	0	0	0	110.6	T780 I851 M858 I859 Q860 I935 I997 Y1000	T780-I856 HydrophobicContact CG2-CB 3.73Å; T780-I856 HydrophobicContact CG2-CG2 3.57Å; I851-I856 HydrophobicContact CG2-CG1 4.17Å; I851-I856 PolarHBondContact O-N 2.83Å; I856-M858 PolarHBondContact O-N 3.09Å; I856-I859 WeakPolarHBondContact O-CA 3.45Å; I856-I859 WeakPolarHBondContact O-CB 3.41Å; I856-I859 PolarHBondContact O-N 3.12Å; I856-Q860 HydrophobicContact CG2-CG 4.44Å; I856-Q860 WeakPolarHBondContact O-CG 3.5Å; I856-Q860 PolarHBondContact O-N 3.18Å; I856-I935 HydrophobicContact CD1-CD1 3.96Å; I856-I935 HydrophobicContact CG1-CD1 4.13Å; I856-I935 HydrophobicContact CG2-CD1 4.38Å; I856-I997 HydrophobicContact CD1-CG2 4.49Å; I856-I997 HydrophobicContact CG2-CD1 4.09Å; I856-I997 HydrophobicContact CG2-CG1 4.1Å; I856-I997 HydrophobicContact CG2-CG2 3.76Å; I856-Y1000 HydrophobicContact CD1-CD1 3.71Å; I856-Y1000 HydrophobicContact CD1-CE1 3.98Å
857	G	97.3	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.1	-32	177.9	0	0	0	0	0	113.1	I783 S852 Q860 A861	I783-G857 VanDerWaalsContact CG2-C 3.44Å; I783-G857 WeakPolarHBondContact CG2-O 3.46Å; S852-G857 WeakPolarHBondContact O-CA 3.49Å; S852-G857 PolarHBondContact O-N 3.4Å; G857-Q860 WeakPolarHBondContact O-CB 3.3Å; G857-Q860 PolarHBondContact O-N 3.14Å; G857-A861 WeakPolarHBondContact O-CB 3.26Å; G857-A861 PolarHBondContact O-N 3.43Å
858	M	97.8	Very high	96.8	Very high	86 Å²	86	24.3 Å²	24.3	42%	0.424	14%	0.135	S	C	.	.	H	α-helix	trans	-66.7	-37.2	171.9	-71.7	-56.5	-48.8	0	0	113	I783 Q855 I856 L862	I783-M858 HydrophobicContact CG2-CG 4.47Å; I783-M858 HydrophobicContact CG2-SD 3.78Å; Q855-M858 PolarHBondContact O-N 3.11Å; I856-M858 PolarHBondContact O-N 3.09Å; M858-L862 WeakPolarHBondContact O-CG 3.25Å; M858-L862 PolarHBondContact O-N 2.86Å; M858-L862 VanDerWaalsContact O-N 3.14Å
859	I	98.1	Very high	96.8	Very high	26 Å²	26	27.3 Å²	27.3	13%	0.133	15%	0.148	C	C	.	.	H	α-helix	trans	-69.7	-37.6	174.1	-58.6	164.2	0	0	0	110.3	Q855 I856 L862 G863 Y993 L996 I997	Q855-I859 WeakPolarHBondContact O-CG1 3.26Å; Q855-I859 PolarHBondContact O-N 2.98Å; I856-I859 WeakPolarHBondContact O-CA 3.45Å; I856-I859 WeakPolarHBondContact O-CB 3.41Å; I856-I859 PolarHBondContact O-N 3.12Å; I859-L862 PolarHBondContact O-N 2.88Å; I859-G863 PolarHBondContact O-N 3.27Å; I859-G863 VanDerWaalsContact O-N 3.1Å; I859-Y993 HydrophobicContact CG2-CD1 4.13Å; I859-L996 HydrophobicContact CG2-CD2 4.1Å; I859-L996 HydrophobicContact CG2-CG 4.47Å; I859-I997 HydrophobicContact CB-CD1 4.27Å; I859-I997 HydrophobicContact CB-CG1 3.95Å; I859-I997 HydrophobicContact CD1-CG1 4.32Å; I859-I997 HydrophobicContact CG2-CD1 4.03Å; I859-I997 HydrophobicContact CG2-CG1 3.64Å
860	Q	98.2	Very high	97	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-47.5	174.1	-62	-168.5	-14.9	0	0	111.9	T780 P784 I856 G857 L862 G863 G864 V928 I997	T780-Q860 HydrophobicContact CG2-CG 4.35Å; T780-Q860 PolarHBondContact O-OE1 3.08Å; P784-Q860 HydrophobicContact CB-CB 4.18Å; P784-Q860 HydrophobicContact CG-CB 3.77Å; I856-Q860 HydrophobicContact CG2-CG 4.44Å; I856-Q860 WeakPolarHBondContact O-CG 3.5Å; I856-Q860 PolarHBondContact O-N 3.18Å; G857-Q860 WeakPolarHBondContact O-CB 3.3Å; G857-Q860 PolarHBondContact O-N 3.14Å; Q860-L862 VanDerWaalsContact C-N 3.33Å; Q860-L862 PolarHBondContact O-N 2.82Å; Q860-G863 WeakPolarHBondContact O-CA 3.39Å; Q860-G863 PolarHBondContact O-N 2.71Å; Q860-G864 PolarHBondContact O-N 3.04Å; Q860-V928 HydrophobicContact CB-CB 4.48Å; Q860-V928 HydrophobicContact CB-CG2 3.65Å; Q860-V928 HydrophobicContact CG-CB 3.96Å; Q860-V928 HydrophobicContact CG-CG2 3.43Å; Q860-V928 VanDerWaalsContact CG-CG2 3.43Å; Q860-I997 HydrophobicContact CG-CD1 3.69Å
861	A	97.7	Very high	97	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.025	14%	0.135	C	C	.	.	H	α-helix	trans	-56.7	-45.8	176	0	0	0	0	0	111.6	I783 P784 T787 G857 G863 G864 F865	I783-A861 HydrophobicContact CG2-CB 4.25Å; P784-A861 HydrophobicContact CB-CB 4.3Å; T787-A861 WeakPolarHBondContact OG1-CB 3Å; G857-A861 WeakPolarHBondContact O-CB 3.26Å; G857-A861 PolarHBondContact O-N 3.43Å; A861-G863 VanDerWaalsContact C-N 3.27Å; A861-G863 PolarHBondContact O-N 2.86Å; A861-G864 PolarHBondContact O-N 3.12Å; A861-F865 VanDerWaalsContact O-CD2 3.23Å; A861-F865 WeakPolarHBondContact O-CD2 3.38Å; A861-F865 PolarHBondContact O-N 2.77Å
862	L	97.8	Very high	97	Very high	99 Å²	99	25 Å²	25	52%	0.518	13%	0.134	S	C	.	.	H	α-helix	trans	-60.3	-35.3	175.6	-69.8	171.2	0	0	0	112.7	M858 I859 Q860 F866 Y993	M858-L862 WeakPolarHBondContact O-CG 3.25Å; M858-L862 PolarHBondContact O-N 2.86Å; M858-L862 VanDerWaalsContact O-N 3.14Å; I859-L862 PolarHBondContact O-N 2.88Å; Q860-L862 VanDerWaalsContact C-N 3.33Å; Q860-L862 PolarHBondContact O-N 2.82Å; L862-F866 VanDerWaalsContact O-CB 3.26Å; L862-F866 WeakPolarHBondContact O-CB 3.43Å; L862-F866 PolarHBondContact O-N 3.01Å; L862-Y993 HydrophobicContact CB-CD1 4.16Å; L862-Y993 HydrophobicContact CB-CE1 3.7Å
863	G	97.3	Very high	97.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.3	-44.8	174.1	0	0	0	0	0	113.3	I859 Q860 A861 F866 A867	I859-G863 PolarHBondContact O-N 3.27Å; I859-G863 VanDerWaalsContact O-N 3.1Å; Q860-G863 WeakPolarHBondContact O-CA 3.39Å; Q860-G863 PolarHBondContact O-N 2.71Å; A861-G863 VanDerWaalsContact C-N 3.27Å; A861-G863 PolarHBondContact O-N 2.86Å; G863-F866 PolarHBondContact O-N 3.06Å; G863-A867 PolarHBondContact O-N 2.89Å; G863-A867 VanDerWaalsContact O-N 3.11Å
864	G	97.1	Very high	97.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-47.3	175	0	0	0	0	0	112.7	Q860 A861 F866 A867 Y868 F921	Q860-G864 PolarHBondContact O-N 3.04Å; A861-G864 PolarHBondContact O-N 3.12Å; G864-F866 VanDerWaalsContact C-N 3.3Å; G864-F866 PolarHBondContact O-N 2.89Å; G864-A867 PolarHBondContact O-N 2.86Å; G864-Y868 PolarHBondContact O-N 2.91Å; G864-F921 WeakPolarHBondContact O-CD2 3.17Å
865	F	97.9	Very high	97.2	Very high	14 Å²	14	29.2 Å²	29.2	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-36.2	174.8	-83.4	-69.8	0	0	0	112.6	F791 I797 P800 A861 Y868 F869 F921	F791-F865 HydrophobicContact CB-CE1 3.85Å; F791-F865 HydrophobicContact CB-CZ 3.73Å; F791-F865 HydrophobicContact CD1-CE1 4.15Å; F791-F865 HydrophobicContact CD1-CZ 4.26Å; F791-F865 HydrophobicContact CD2-CE1 4.28Å; F791-F865 HydrophobicContact CD2-CE2 4.03Å; F791-F865 AromaticContact CD2-CZ 3.58Å; F791-F865 HydrophobicContact CD2-CZ 3.58Å; F791-F865 HydrophobicContact CE2-CE2 4.31Å; F791-F865 HydrophobicContact CE2-CZ 4.26Å; F791-F865 AromaticContact CG-CE1 3.83Å; F791-F865 HydrophobicContact CG-CE1 3.83Å; F791-F865 HydrophobicContact CG-CE2 4.41Å; F791-F865 AromaticContact CG-CZ 3.58Å; F791-F865 HydrophobicContact CG-CZ 3.58Å; I797-F865 HydrophobicContact CD1-CE1 4.27Å; P800-F865 HydrophobicContact CB-CE1 4.24Å; P800-F865 HydrophobicContact CG-CE1 3.77Å; P800-F865 HydrophobicContact CG-CZ 4.42Å; A861-F865 VanDerWaalsContact O-CD2 3.23Å; A861-F865 WeakPolarHBondContact O-CD2 3.38Å; A861-F865 PolarHBondContact O-N 2.77Å; F865-Y868 WeakPolarHBondContact O-CB 3.23Å; F865-Y868 PolarHBondContact O-N 2.69Å; F865-F869 HydrophobicContact CB-CD2 4.42Å; F865-F869 HydrophobicContact CB-CE2 4.21Å; F865-F869 HydrophobicContact CD1-CE2 4.25Å; F865-F869 WeakPolarHBondContact O-CD2 3.11Å; F865-F869 WeakPolarHBondContact O-CG 3.22Å; F865-F869 PolarHBondContact O-N 3.39Å; F865-F921 HydrophobicContact CD1-CE2 4.35Å; F865-F921 HydrophobicContact CD2-CE2 4.36Å; F865-F921 HydrophobicContact CD2-CZ 4.35Å; F865-F921 HydrophobicContact CE2-CZ 4.47Å; F865-F921 HydrophobicContact CG-CE2 4.22Å
866	F	97.9	Very high	97	Very high	87 Å²	87	27.3 Å²	27.3	38%	0.382	14%	0.139	S	C	.	.	H	α-helix	trans	-62.1	-46.9	174.6	177.3	-105.2	0	0	0	111.8	L862 G863 G864 Y868 F869 V870 C989 Y993	L862-F866 VanDerWaalsContact O-CB 3.26Å; L862-F866 WeakPolarHBondContact O-CB 3.43Å; L862-F866 PolarHBondContact O-N 3.01Å; G863-F866 PolarHBondContact O-N 3.06Å; G864-F866 VanDerWaalsContact C-N 3.3Å; G864-F866 PolarHBondContact O-N 2.89Å; F866-Y868 PolarHBondContact O-N 2.89Å; F866-F869 PolarHBondContact O-N 3.05Å; F866-V870 HydrophobicContact CD1-CG2 4.4Å; F866-V870 HydrophobicContact CD2-CG2 4.37Å; F866-V870 HydrophobicContact CE1-CG2 4.02Å; F866-V870 HydrophobicContact CE2-CG2 3.97Å; F866-V870 HydrophobicContact CZ-CG2 3.78Å; F866-V870 VanDerWaalsContact O-CG2 3.29Å; F866-V870 WeakPolarHBondContact O-CG2 3.07Å; F866-V870 PolarHBondContact O-N 2.99Å; F866-C989 HydrophobicContact CD1-CB 4.18Å; F866-C989 WeakPolarHBondContact CD1-O 3.36Å; F866-C989 HydrophobicContact CE1-CB 4.22Å; F866-C989 WeakPolarHBondContact CE1-O 3.42Å; F866-Y993 HydrophobicContact CB-CE2 3.83Å; F866-Y993 AromaticContact CD1-CE2 3.85Å; F866-Y993 HydrophobicContact CD1-CE2 3.85Å; F866-Y993 AromaticContact CG-CE2 3.86Å; F866-Y993 HydrophobicContact CG-CE2 3.86Å
867	A	97.3	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-43.7	175.2	0	0	0	0	0	112.2	G863 G864 F869 V870 I871 S924 C989	G863-A867 PolarHBondContact O-N 2.89Å; G863-A867 VanDerWaalsContact O-N 3.11Å; G864-A867 PolarHBondContact O-N 2.86Å; A867-F869 PolarHBondContact O-N 3.32Å; A867-V870 PolarHBondContact O-N 3.3Å; A867-I871 WeakPolarHBondContact O-CG1 3.29Å; A867-I871 PolarHBondContact O-N 2.85Å; A867-S924 WeakPolarHBondContact CB-OG 3.15Å; A867-C989 HydrophobicContact CB-CB 3.82Å
868	Y	97.6	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-54.5	-51.1	173.7	168.1	-91.3	0	0	0	112.3	I797 P798 P800 G864 F865 F866 V870 I871 M872 L882 C917	I797-Y868 HydrophobicContact CD1-CE1 4.08Å; P798-Y868 WeakPolarHBondContact CD-OH 3.39Å; P798-Y868 PolarHBondContact O-OH 2.8Å; P800-Y868 HydrophobicContact CB-CD2 3.7Å; P800-Y868 HydrophobicContact CB-CE2 4.02Å; P800-Y868 HydrophobicContact CB-CG 4.12Å; P800-Y868 HydrophobicContact CG-CD2 4.3Å; P800-Y868 HydrophobicContact CG-CE2 4.19Å; G864-Y868 PolarHBondContact O-N 2.91Å; F865-Y868 WeakPolarHBondContact O-CB 3.23Å; F865-Y868 PolarHBondContact O-N 2.69Å; F866-Y868 PolarHBondContact O-N 2.89Å; Y868-V870 PolarHBondContact O-N 2.71Å; Y868-I871 PolarHBondContact O-N 2.86Å; Y868-M872 HydrophobicContact CE1-CG 4.26Å; Y868-M872 HydrophobicContact CE2-CE 3.62Å; Y868-M872 HydrophobicContact CE2-CG 4.14Å; Y868-M872 WeakPolarHBondContact O-CG 3.48Å; Y868-M872 PolarHBondContact O-N 3.39Å; Y868-L882 HydrophobicContact CE1-CD1 3.98Å; Y868-C917 HydrophobicContact CD2-CB 3.88Å; Y868-C917 HydrophobicContact CE2-CB 4.34Å
869	F	97.4	Very high	96.6	Very high	63 Å²	63	28.9 Å²	28.9	28%	0.276	15%	0.152	S	C	.	.	H	α-helix	trans	-68	-34.9	-179.7	-72.4	-55.4	0	0	0	113.1	F865 F866 A867 A873 P879 L882	F865-F869 HydrophobicContact CB-CD2 4.42Å; F865-F869 HydrophobicContact CB-CE2 4.21Å; F865-F869 HydrophobicContact CD1-CE2 4.25Å; F865-F869 WeakPolarHBondContact O-CD2 3.11Å; F865-F869 WeakPolarHBondContact O-CG 3.22Å; F865-F869 PolarHBondContact O-N 3.39Å; F866-F869 PolarHBondContact O-N 3.05Å; A867-F869 PolarHBondContact O-N 3.32Å; F869-A873 WeakPolarHBondContact O-CB 3.34Å; F869-A873 PolarHBondContact O-N 3.33Å; F869-P879 HydrophobicContact CB-CG 4.17Å; F869-P879 HydrophobicContact CD1-CB 3.88Å; F869-P879 HydrophobicContact CD1-CG 4.01Å; F869-P879 HydrophobicContact CE1-CB 4.26Å; F869-P879 HydrophobicContact CG-CB 4.49Å; F869-P879 HydrophobicContact CG-CG 4.32Å; F869-L882 HydrophobicContact CD1-CD1 3.8Å; F869-L882 HydrophobicContact CE1-CD1 3.92Å
870	V	97.2	Very high	96.2	Very high	35 Å²	35	32.7 Å²	32.7	21%	0.212	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-45.6	174.2	166.9	0	0	0	0	110.7	F866 A867 Y868 A873 E874	F866-V870 HydrophobicContact CD1-CG2 4.4Å; F866-V870 HydrophobicContact CD2-CG2 4.37Å; F866-V870 HydrophobicContact CE1-CG2 4.02Å; F866-V870 HydrophobicContact CE2-CG2 3.97Å; F866-V870 HydrophobicContact CZ-CG2 3.78Å; F866-V870 VanDerWaalsContact O-CG2 3.29Å; F866-V870 WeakPolarHBondContact O-CG2 3.07Å; F866-V870 PolarHBondContact O-N 2.99Å; A867-V870 PolarHBondContact O-N 3.3Å; Y868-V870 PolarHBondContact O-N 2.71Å; V870-A873 PolarHBondContact O-N 3.11Å; V870-E874 WeakPolarHBondContact O-CB 3.12Å; V870-E874 WeakPolarHBondContact O-CG 3.48Å; V870-E874 PolarHBondContact O-N 3.33Å
871	I	96.6	Very high	95.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.9	-42.4	-177.8	-65.8	174.1	0	0	0	111.3	A867 Y868 A873 E874 N875 T916 C917 A920 W986	A867-I871 WeakPolarHBondContact O-CG1 3.29Å; A867-I871 PolarHBondContact O-N 2.85Å; Y868-I871 PolarHBondContact O-N 2.86Å; I871-A873 VanDerWaalsContact C-N 3.33Å; I871-A873 PolarHBondContact O-N 3.05Å; I871-E874 PolarHBondContact O-N 2.87Å; I871-N875 PolarHBondContact O-N 2.66Å; I871-N875 VanDerWaalsContact O-N 3.11Å; I871-N875 PolarHBondContact O-ND2 3.39Å; I871-T916 HydrophobicContact CG2-CG2 4.47Å; I871-C917 WeakPolarHBondContact CG2-SG 3.32Å; I871-A920 HydrophobicContact CD1-CB 3.06Å; I871-W986 HydrophobicContact CD1-CB 4.22Å; I871-W986 HydrophobicContact CD1-CD2 3.73Å; I871-W986 HydrophobicContact CD1-CE3 3.94Å; I871-W986 HydrophobicContact CD1-CG 3.89Å; I871-W986 HydrophobicContact CG1-CD2 3.76Å; I871-W986 HydrophobicContact CG1-CE3 4.34Å; I871-W986 HydrophobicContact CG1-CG 3.9Å; I871-W986 HydrophobicContact CG1-CZ2 4.08Å; I871-W986 HydrophobicContact CG2-CH2 4.12Å; I871-W986 HydrophobicContact CG2-CZ2 4.01Å
872	M	96.2	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-46.6	173.4	-73.6	-64.8	-171.2	0	0	111.1	P798 Y868 N875 G876 F877 L882 W889 V913	P798-M872 HydrophobicContact CB-CE 3.88Å; P798-M872 HydrophobicContact CG-CE 4.09Å; Y868-M872 HydrophobicContact CE1-CG 4.26Å; Y868-M872 HydrophobicContact CE2-CE 3.62Å; Y868-M872 HydrophobicContact CE2-CG 4.14Å; Y868-M872 WeakPolarHBondContact O-CG 3.48Å; Y868-M872 PolarHBondContact O-N 3.39Å; M872-N875 CarbonylContact O-C 3.51Å; M872-N875 PolarHBondContact O-N 2.83Å; M872-G876 PolarHBondContact O-N 3.11Å; M872-F877 CarbonylContact C-O 3.14Å; M872-F877 HydrophobicContact CB-CB 4.25Å; M872-F877 WeakPolarHBondContact O-CA 3.47Å; M872-F877 PolarHBondContact O-N 3.36Å; M872-F877 HydrophobicContact SD-CB 4.46Å; M872-L882 HydrophobicContact CB-CD1 3.81Å; M872-L882 HydrophobicContact CB-CD2 4.39Å; M872-L882 HydrophobicContact CG-CD1 3.94Å; M872-L882 HydrophobicContact CG-CD2 4.24Å; M872-L882 HydrophobicContact SD-CD2 4.22Å; M872-W889 HydrophobicContact CE-CH2 3.94Å; M872-W889 HydrophobicContact CE-CZ2 3.91Å; M872-W889 HydrophobicContact SD-CH2 3.95Å; M872-W889 HydrophobicContact SD-CZ2 4.49Å; M872-V913 HydrophobicContact SD-CG1 3.97Å
873	A	96.3	Very high	95.4	Very high	26 Å²	26	35.8 Å²	35.8	22%	0.215	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-42.9	179.3	0	0	0	0	0	113.1	F869 V870 I871 N875 G876 F877 L878	F869-A873 WeakPolarHBondContact O-CB 3.34Å; F869-A873 PolarHBondContact O-N 3.33Å; V870-A873 PolarHBondContact O-N 3.11Å; I871-A873 VanDerWaalsContact C-N 3.33Å; I871-A873 PolarHBondContact O-N 3.05Å; A873-N875 PolarHBondContact O-N 3.12Å; A873-G876 PolarHBondContact O-N 3.06Å; A873-G876 VanDerWaalsContact O-N 3.15Å; A873-F877 WeakPolarHBondContact CA-O 3.29Å; A873-F877 PolarHBondContact N-O 2.88Å; A873-L878 HydrophobicContact CB-CD2 4.22Å
874	E	95.6	Very high	95.1	Very high	93 Å²	93	37.5 Å²	37.5	44%	0.435	22%	0.216	S	C	.	.	H	α-helix	trans	-62.2	-26.9	175.4	-84.1	-170	-160.8	0	0	113.4	V870 I871 K983 W986	V870-E874 WeakPolarHBondContact O-CB 3.12Å; V870-E874 WeakPolarHBondContact O-CG 3.48Å; V870-E874 PolarHBondContact O-N 3.33Å; I871-E874 PolarHBondContact O-N 2.87Å; E874-K983 IonicContact OE2-NZ 2.66Å; E874-K983 PolarHBondContact OE2-NZ 3.35Å; E874-W986 PolarHBondContact OE1-NE1 3.14Å; E874-W986 PolarHBondContact OE2-NE1 2.7Å
875	N	95.1	Very high	94.9	Very high	39 Å²	39	38 Å²	38	21%	0.209	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	10.6	177.4	-66.7	-75.5	0	0	0	113.2	I871 M872 A873 W905 V913	I871-N875 PolarHBondContact O-N 2.66Å; I871-N875 VanDerWaalsContact O-N 3.11Å; I871-N875 PolarHBondContact O-ND2 3.39Å; M872-N875 CarbonylContact O-C 3.51Å; M872-N875 PolarHBondContact O-N 2.83Å; A873-N875 PolarHBondContact O-N 3.12Å; N875-W905 HydrophobicContact CB-CH2 4.43Å; N875-W905 WeakPolarHBondContact O-CZ2 3.36Å; N875-V913 HydrophobicContact CB-CG1 4.16Å; N875-V913 HydrophobicContact CB-CG2 4.28Å
876	G	93.3	Very high	94.4	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.021	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.1	-8.5	169.8	0	0	0	0	0	116.7	M872 A873 D899 S900	M872-G876 PolarHBondContact O-N 3.11Å; A873-G876 PolarHBondContact O-N 3.06Å; A873-G876 VanDerWaalsContact O-N 3.15Å; G876-D899 WeakPolarHBondContact O-CB 3.29Å; G876-S900 VanDerWaalsContact O-CB 3.23Å; G876-S900 WeakPolarHBondContact O-CB 3.44Å; G876-S900 PolarHBondContact O-N 3.1Å; G876-S900 PolarHBondContact O-OG 3.24Å
877	F	95.7	Very high	93.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.228	C	C	.	.			trans	-101.1	91.5	-178.9	-62.9	-86.1	0	0	0	110.6	M872 A873 L882 I885 W889 D899 W905	M872-F877 CarbonylContact C-O 3.14Å; M872-F877 HydrophobicContact CB-CB 4.25Å; M872-F877 WeakPolarHBondContact O-CA 3.47Å; M872-F877 PolarHBondContact O-N 3.36Å; M872-F877 HydrophobicContact SD-CB 4.46Å; A873-F877 WeakPolarHBondContact CA-O 3.29Å; A873-F877 PolarHBondContact N-O 2.88Å; F877-L882 HydrophobicContact CB-CD2 3.78Å; F877-L882 HydrophobicContact CB-CG 4.47Å; F877-I885 HydrophobicContact CD1-CD1 4.09Å; F877-I885 HydrophobicContact CE1-CD1 4.21Å; F877-W889 AromaticContact CD1-CZ3 3.87Å; F877-W889 HydrophobicContact CD1-CZ3 3.87Å; F877-W889 HydrophobicContact CD2-CH2 4.25Å; F877-W889 HydrophobicContact CD2-CZ3 4.09Å; F877-W889 HydrophobicContact CE1-CE3 4.41Å; F877-W889 AromaticContact CE1-CZ3 3.7Å; F877-W889 HydrophobicContact CE1-CZ3 3.7Å; F877-W889 HydrophobicContact CE2-CH2 4.15Å; F877-W889 AromaticContact CE2-CZ3 3.93Å; F877-W889 HydrophobicContact CE2-CZ3 3.93Å; F877-W889 HydrophobicContact CG-CZ3 4.06Å; F877-W889 HydrophobicContact CZ-CH2 4.37Å; F877-W889 AromaticContact CZ-CZ3 3.73Å; F877-W889 HydrophobicContact CZ-CZ3 3.73Å; F877-D899 HydrophobicContact CD1-CB 3.99Å; F877-D899 HydrophobicContact CD2-CB 4.42Å; F877-D899 HydrophobicContact CE1-CB 3.65Å; F877-D899 HydrophobicContact CE2-CB 4.13Å; F877-D899 HydrophobicContact CG-CB 4.35Å; F877-D899 HydrophobicContact CZ-CB 3.73Å; F877-W905 AromaticContact CE2-CD2 3.86Å; F877-W905 HydrophobicContact CE2-CD2 3.86Å; F877-W905 AromaticContact CE2-CE2 3.77Å; F877-W905 HydrophobicContact CE2-CE3 4.38Å; F877-W905 HydrophobicContact CE2-CG 4.07Å; F877-W905 HydrophobicContact CE2-CZ2 4.28Å; F877-W905 AromaticContact CE2-NE1 3.81Å; F877-W905 HydrophobicContact CZ-CB 4.26Å; F877-W905 AromaticContact CZ-CD1 3.58Å; F877-W905 HydrophobicContact CZ-CD2 4.02Å; F877-W905 AromaticContact CZ-CG 3.71Å; F877-W905 HydrophobicContact CZ-CG 3.71Å; F877-W905 AromaticContact CZ-NE1 3.84Å
878	L	94.5	Very high	93.6	Very high	60 Å²	60	43.1 Å²	43.1	31%	0.314	25%	0.249	S	C	.	.			trans	-65.1	147.5	178.6	-64.6	177.3	0	0	0	110.9	A873 S880 H881 L882 S900	A873-L878 HydrophobicContact CB-CD2 4.22Å; L878-S880 PolarHBondContact O-N 2.76Å; L878-H881 WeakPolarHBondContact O-CB 3.3Å; L878-H881 PolarHBondContact O-N 2.69Å; L878-L882 PolarHBondContact O-N 3.05Å; L878-S900 WeakPolarHBondContact CB-OG 3.41Å; L878-S900 PolarHBondContact N-OG 2.99Å
879	P	93.1	Very high	93.3	Very high	59 Å²	59	43.1 Å²	43.1	38%	0.383	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.6	-174.5	-29.3	36.6	0	0	0	115.4	F869 H881	F869-P879 HydrophobicContact CB-CG 4.17Å; F869-P879 HydrophobicContact CD1-CB 3.88Å; F869-P879 HydrophobicContact CD1-CG 4.01Å; F869-P879 HydrophobicContact CE1-CB 4.26Å; F869-P879 HydrophobicContact CG-CB 4.49Å; F869-P879 HydrophobicContact CG-CG 4.32Å; P879-H881 VanDerWaalsContact C-N 3.31Å; P879-H881 PolarHBondContact O-N 3.03Å
880	S	91.3	Very high	92.9	Very high	105 Å²	105	42.6 Å²	42.6	73%	0.734	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.6	175.1	51.2	0	0	0	0	114.2	L878	L878-S880 PolarHBondContact O-N 2.76Å
881	H	91.3	Very high	92.4	Very high	74 Å²	74	44 Å²	44	34%	0.343	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-15.6	-179.4	-164.8	71.6	0	0	0	112.7	L878 P879 E898 S900	L878-H881 WeakPolarHBondContact O-CB 3.3Å; L878-H881 PolarHBondContact O-N 2.69Å; P879-H881 VanDerWaalsContact C-N 3.31Å; P879-H881 PolarHBondContact O-N 3.03Å; H881-E898 PolarHBondContact NE2-O 3.18Å; H881-S900 VanDerWaalsContact CB-OG 3.22Å; H881-S900 WeakPolarHBondContact CB-OG 3.34Å
882	L	92.5	Very high	91.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-74.4	-25.4	179.6	-67.4	174.1	0	0	0	113.4	I797 P798 Y868 F869 M872 F877 L878 G884 I885	I797-L882 HydrophobicContact CG2-CB 4.16Å; P798-L882 HydrophobicContact CG-CD2 4.33Å; Y868-L882 HydrophobicContact CE1-CD1 3.98Å; F869-L882 HydrophobicContact CD1-CD1 3.8Å; F869-L882 HydrophobicContact CE1-CD1 3.92Å; M872-L882 HydrophobicContact CB-CD1 3.81Å; M872-L882 HydrophobicContact CB-CD2 4.39Å; M872-L882 HydrophobicContact CG-CD1 3.94Å; M872-L882 HydrophobicContact CG-CD2 4.24Å; M872-L882 HydrophobicContact SD-CD2 4.22Å; F877-L882 HydrophobicContact CB-CD2 3.78Å; F877-L882 HydrophobicContact CB-CG 4.47Å; L878-L882 PolarHBondContact O-N 3.05Å; L882-G884 PolarHBondContact O-N 3.09Å; L882-I885 HydrophobicContact CD2-CG2 4.43Å; L882-I885 VanDerWaalsContact O-CG2 3.23Å; L882-I885 WeakPolarHBondContact O-CG2 3.48Å; L882-I885 PolarHBondContact O-N 3.02Å
883	V	93.1	Very high	91.5	Very high	93 Å²	93	54.1 Å²	54.1	56%	0.564	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	118.4	-176	-178	0	0	0	0	109.8	V795 I885	V795-V883 HydrophobicContact CG1-CB 4.46Å; V795-V883 HydrophobicContact CG1-CG1 4.03Å; V795-V883 HydrophobicContact CG1-CG2 4.02Å; V883-I885 VanDerWaalsContact C-N 3.31Å; V883-I885 PolarHBondContact O-N 2.66Å
884	G	89.8	Confident	91.2	Very high	37 Å²	37	54.3 Å²	54.3	38%	0.381	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-6	-177.7	0	0	0	0	0	115.8	V795 N796 L882 R886	V795-G884 PolarHBondContact O-N 3.39Å; V795-G884 VanDerWaalsContact O-N 3.16Å; N796-G884 CarbonylContact O-C 3.44Å; N796-G884 WeakPolarHBondContact O-CA 3.41Å; N796-G884 PolarHBondContact O-N 3.21Å; L882-G884 PolarHBondContact O-N 3.09Å; G884-R886 PolarHBondContact O-N 2.83Å
885	I	92.5	Very high	91	Very high	10 Å²	10	53.4 Å²	53.4	5%	0.051	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.9	-175	-155	173.5	0	0	0	113	N796 P798 F877 L882 V883 L887 N888 W889 L897	N796-I885 PolarHBondContact O-N 2.84Å; P798-I885 HydrophobicContact CG-CG2 3.84Å; F877-I885 HydrophobicContact CD1-CD1 4.09Å; F877-I885 HydrophobicContact CE1-CD1 4.21Å; L882-I885 HydrophobicContact CD2-CG2 4.43Å; L882-I885 VanDerWaalsContact O-CG2 3.23Å; L882-I885 WeakPolarHBondContact O-CG2 3.48Å; L882-I885 PolarHBondContact O-N 3.02Å; V883-I885 VanDerWaalsContact C-N 3.31Å; V883-I885 PolarHBondContact O-N 2.66Å; I885-L887 VanDerWaalsContact C-N 3.31Å; I885-L887 PolarHBondContact O-N 3.19Å; I885-L887 VanDerWaalsContact O-N 3.13Å; I885-N888 PolarHBondContact O-N 3.35Å; I885-W889 HydrophobicContact CD1-CE3 4.37Å; I885-W889 HydrophobicContact CG2-CE3 4.49Å; I885-W889 PolarHBondContact O-N 3.1Å; I885-L897 HydrophobicContact CD1-CD1 4.44Å; I885-L897 HydrophobicContact CD1-CD2 4.21Å; I885-L897 HydrophobicContact CG1-CD1 4.37Å; I885-L897 HydrophobicContact CG1-CD2 4.38Å
886	R	89.4	Confident	90.9	Very high	13 Å²	13	56.1 Å²	56.1	5%	0.049	32%	0.318	C	S	.	.	H	α-helix	trans	-48.6	-45.6	-171.2	-179.4	-170.9	159.8	-167.1	-11.2	113.9	Y314 F322 F792 N796 G884 N888 W889 D890	Y314-R886 PolarHBondContact OH-NH1 3.46Å; F322-R886 VanDerWaalsContact CZ-NH1 3.3Å; F792-R886 HydrophobicContact CD2-CG 4.47Å; F792-R886 VanDerWaalsContact CE1-NH1 3.29Å; F792-R886 VanDerWaalsContact CE2-CD 3.41Å; F792-R886 HydrophobicContact CE2-CG 4.01Å; F792-R886 PolarHBondContact O-NH1 3.38Å; N796-R886 HydrophobicContact CB-CB 4.34Å; N796-R886 WeakPolarHBondContact O-CB 3.08Å; N796-R886 PolarHBondContact O-N 3.19Å; G884-R886 PolarHBondContact O-N 2.83Å; R886-N888 VanDerWaalsContact C-N 3.29Å; R886-N888 PolarHBondContact O-N 3.02Å; R886-W889 CarbonylContact O-C 3.43Å; R886-W889 WeakPolarHBondContact O-CA 3.37Å; R886-W889 WeakPolarHBondContact O-CB 3.37Å; R886-W889 PolarHBondContact O-N 3.39Å; R886-D890 VanDerWaalsContact CG-OD2 3.26Å; R886-D890 WeakPolarHBondContact CG-OD2 3.23Å; R886-D890 IonicContact CZ-OD2 2.66Å; R886-D890 IonicContact NE-OD2 3.15Å; R886-D890 PolarHBondContact NE-OD2 3.34Å; R886-D890 IonicContact NH2-OD2 3.52Å; R886-D890 PolarHBondContact O-N 3.13Å
887	L	86.3	Confident	90.9	Very high	116 Å²	116	56.7 Å²	56.7	61%	0.607	32%	0.32	S	S	*	.	H	α-helix	trans	-59.4	-41.5	-177.8	-68.3	172.3	0	0	0	111.9	I885 W889 D891	I885-L887 VanDerWaalsContact C-N 3.31Å; I885-L887 PolarHBondContact O-N 3.19Å; I885-L887 VanDerWaalsContact O-N 3.13Å; L887-W889 VanDerWaalsContact C-N 3.33Å; L887-D891 WeakPolarHBondContact O-CB 2.93Å; L887-D891 PolarHBondContact O-N 3.17Å
888	N	90.4	Very high	90.8	Very high	81 Å²	81	62.4 Å²	62.4	43%	0.433	35%	0.347	S	S	.	.	H	α-helix	trans	-77	-23.3	176.3	-59.1	-26.4	0	0	0	112.3	I885 R886 L897 R910	I885-N888 PolarHBondContact O-N 3.35Å; R886-N888 VanDerWaalsContact C-N 3.29Å; R886-N888 PolarHBondContact O-N 3.02Å; N888-L897 HydrophobicContact CB-CD1 3.81Å; N888-R910 PolarHBondContact O-NH2 3.14Å
889	W	92.6	Very high	90.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-79.2	-40.6	-179.8	-172	-80	0	0	0	112.5	P798 M872 F877 I885 R886 L887 L897 R910 E914	P798-W889 HydrophobicContact CB-CD2 4.09Å; P798-W889 HydrophobicContact CB-CG 4.21Å; P798-W889 HydrophobicContact CB-CZ2 4.26Å; P798-W889 HydrophobicContact CG-CB 4.45Å; P798-W889 HydrophobicContact CG-CD2 3.55Å; P798-W889 HydrophobicContact CG-CE3 3.84Å; P798-W889 HydrophobicContact CG-CG 3.83Å; P798-W889 HydrophobicContact CG-CH2 4.44Å; P798-W889 HydrophobicContact CG-CZ2 4.19Å; P798-W889 HydrophobicContact CG-CZ3 4.28Å; M872-W889 HydrophobicContact CE-CH2 3.94Å; M872-W889 HydrophobicContact CE-CZ2 3.91Å; M872-W889 HydrophobicContact SD-CH2 3.95Å; M872-W889 HydrophobicContact SD-CZ2 4.49Å; F877-W889 AromaticContact CD1-CZ3 3.87Å; F877-W889 HydrophobicContact CD1-CZ3 3.87Å; F877-W889 HydrophobicContact CD2-CH2 4.25Å; F877-W889 HydrophobicContact CD2-CZ3 4.09Å; F877-W889 HydrophobicContact CE1-CE3 4.41Å; F877-W889 AromaticContact CE1-CZ3 3.7Å; F877-W889 HydrophobicContact CE1-CZ3 3.7Å; F877-W889 HydrophobicContact CE2-CH2 4.15Å; F877-W889 AromaticContact CE2-CZ3 3.93Å; F877-W889 HydrophobicContact CE2-CZ3 3.93Å; F877-W889 HydrophobicContact CG-CZ3 4.06Å; F877-W889 HydrophobicContact CZ-CH2 4.37Å; F877-W889 AromaticContact CZ-CZ3 3.73Å; F877-W889 HydrophobicContact CZ-CZ3 3.73Å; I885-W889 HydrophobicContact CD1-CE3 4.37Å; I885-W889 HydrophobicContact CG2-CE3 4.49Å; I885-W889 PolarHBondContact O-N 3.1Å; R886-W889 CarbonylContact O-C 3.43Å; R886-W889 WeakPolarHBondContact O-CA 3.37Å; R886-W889 WeakPolarHBondContact O-CB 3.37Å; R886-W889 PolarHBondContact O-N 3.39Å; L887-W889 VanDerWaalsContact C-N 3.33Å; W889-L897 HydrophobicContact CE3-CD2 3.84Å; W889-R910 HydrophobicContact CD2-CB 4.36Å; W889-R910 HydrophobicContact CD2-CG 4.27Å; W889-R910 HydrophobicContact CE3-CB 4.37Å; W889-R910 HydrophobicContact CH2-CB 3.82Å; W889-R910 HydrophobicContact CZ2-CB 3.79Å; W889-R910 HydrophobicContact CZ2-CG 4.37Å; W889-R910 VanDerWaalsContact CZ2-O 3.22Å; W889-R910 WeakPolarHBondContact CZ2-O 3.46Å; W889-R910 HydrophobicContact CZ3-CB 4.11Å; W889-R910 VanDerWaalsContact O-CZ 3.28Å; W889-R910 PolarHBondContact O-NE 3.37Å; W889-R910 PolarHBondContact O-NH2 3.43Å; W889-E914 VanDerWaalsContact CD1-OE2 3.27Å; W889-E914 HydrophobicContact CZ2-CB 4.2Å; W889-E914 PolarHBondContact NE1-OE2 3Å
890	D	87.8	Confident	90.8	Very high	52 Å²	52	58.8 Å²	58.8	28%	0.278	33%	0.328	S	S	.	.	H	α-helix	trans	-80.8	-18.4	177.8	-71.2	-27.8	0	0	0	113	R886 R892 K911	R886-D890 VanDerWaalsContact CG-OD2 3.26Å; R886-D890 WeakPolarHBondContact CG-OD2 3.23Å; R886-D890 IonicContact CZ-OD2 2.66Å; R886-D890 IonicContact NE-OD2 3.15Å; R886-D890 PolarHBondContact NE-OD2 3.34Å; R886-D890 IonicContact NH2-OD2 3.52Å; R886-D890 PolarHBondContact O-N 3.13Å; D890-R892 PolarHBondContact O-N 3.17Å; D890-R892 VanDerWaalsContact O-N 3.12Å; D890-K911 IonicContact OD1-NZ 3.9Å; D890-K911 PolarHBondContact OD1-NZ 2.95Å
891	D	87.9	Confident	91	Very high	63 Å²	63	61 Å²	61	34%	0.337	32%	0.321	S	S	.	.			trans	-66.9	105.4	177.4	177.6	8.1	0	0	0	112.7	L887 S893 N894 R910	L887-D891 WeakPolarHBondContact O-CB 2.93Å; L887-D891 PolarHBondContact O-N 3.17Å; D891-S893 VanDerWaalsContact CG-OG 3.27Å; D891-S893 PolarHBondContact O-N 2.93Å; D891-S893 WeakPolarHBondContact OD1-CA 3.36Å; D891-S893 WeakPolarHBondContact OD1-CB 3.44Å; D891-S893 PolarHBondContact OD1-N 3.28Å; D891-S893 PolarHBondContact OD1-OG 3.22Å; D891-S893 PolarHBondContact OD2-OG 2.85Å; D891-S893 VanDerWaalsContact OD2-OG 3.14Å; D891-N894 HydrophobicContact CB-CB 4.2Å; D891-N894 PolarHBondContact O-N 2.79Å; D891-R910 PolarHBondContact O-NH2 3.13Å
892	R	85.6	Confident	91	Very high	119 Å²	119	59.6 Å²	59.6	45%	0.449	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.9	176.9	-64.5	-175.6	-175.8	176	6.3	114.1	D123 D890 N895 Y907	D123-R892 PolarHBondContact O-NH1 3.13Å; D890-R892 PolarHBondContact O-N 3.17Å; D890-R892 VanDerWaalsContact O-N 3.12Å; R892-N895 PolarHBondContact O-ND2 3.16Å; R892-Y907 HydrophobicContact CB-CD2 4.38Å; R892-Y907 HydrophobicContact CB-CE2 4.38Å; R892-Y907 HydrophobicContact CG-CD2 4.17Å; R892-Y907 HydrophobicContact CG-CE1 4.29Å; R892-Y907 HydrophobicContact CG-CE2 3.69Å
893	S	87.7	Confident	91.1	Very high	95 Å²	95	64.5 Å²	64.5	66%	0.664	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-33.7	-178.4	75.6	0	0	0	0	112.6	D891 N895	D891-S893 VanDerWaalsContact CG-OG 3.27Å; D891-S893 PolarHBondContact O-N 2.93Å; D891-S893 WeakPolarHBondContact OD1-CA 3.36Å; D891-S893 WeakPolarHBondContact OD1-CB 3.44Å; D891-S893 PolarHBondContact OD1-N 3.28Å; D891-S893 PolarHBondContact OD1-OG 3.22Å; D891-S893 PolarHBondContact OD2-OG 2.85Å; D891-S893 VanDerWaalsContact OD2-OG 3.14Å; S893-N895 PolarHBondContact O-N 2.87Å; S893-N895 PolarHBondContact O-ND2 2.87Å
894	N	90.1	Very high	91.2	Very high	30 Å²	30	66.7 Å²	66.7	16%	0.16	35%	0.353	C	S	.	.			trans	-70.6	115.8	175.3	-177.5	-25.6	0	0	0	110.7	D891 D896 L897 R910	D891-N894 HydrophobicContact CB-CB 4.2Å; D891-N894 PolarHBondContact O-N 2.79Å; N894-D896 PolarHBondContact OD1-N 3.02Å; N894-L897 PolarHBondContact OD1-N 3.11Å; N894-R910 PolarHBondContact O-NH1 3.14Å; N894-R910 PolarHBondContact O-NH2 3.28Å
895	N	92.1	Very high	91.4	Very high	73 Å²	73	66.8 Å²	66.8	39%	0.39	34%	0.342	S	S	.	.			trans	-124.9	11.4	-178	-79.1	-80.1	0	0	0	113.6	R892 S893 W905 T906 Y907	R892-N895 PolarHBondContact O-ND2 3.16Å; S893-N895 PolarHBondContact O-N 2.87Å; S893-N895 PolarHBondContact O-ND2 2.87Å; N895-W905 CarbonylContact C-O 3.58Å; N895-W905 CarbonylContact O-C 3.59Å; N895-T906 HydrophobicContact CB-CG2 4.47Å; N895-T906 WeakPolarHBondContact O-CA 3.43Å; N895-Y907 PolarHBondContact OD1-N 3.25Å
896	D	92.6	Very high	91.6	Very high	97 Å²	97	68.7 Å²	68.7	52%	0.519	35%	0.354	S	S	.	.			trans	-132.9	27.8	-173.7	56.7	-38.3	0	0	0	112	N894 E898	N894-D896 PolarHBondContact OD1-N 3.02Å; D896-E898 PolarHBondContact O-N 2.9Å
897	L	93.6	Very high	91.7	Very high	13 Å²	13	70.2 Å²	70.2	7%	0.068	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	120.4	-179.3	-177.8	62.8	0	0	0	111.3	I885 N888 W889 N894 Q904 W905	I885-L897 HydrophobicContact CD1-CD1 4.44Å; I885-L897 HydrophobicContact CD1-CD2 4.21Å; I885-L897 HydrophobicContact CG1-CD1 4.37Å; I885-L897 HydrophobicContact CG1-CD2 4.38Å; N888-L897 HydrophobicContact CB-CD1 3.81Å; W889-L897 HydrophobicContact CE3-CD2 3.84Å; N894-L897 PolarHBondContact OD1-N 3.11Å; L897-Q904 WeakPolarHBondContact O-CA 3.33Å; L897-W905 PolarHBondContact N-O 3.49Å; L897-W905 PolarHBondContact O-N 3.19Å
898	E	92.8	Very high	91.9	Very high	121 Å²	121	70.6 Å²	70.6	57%	0.565	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.7	-177.3	-163.3	177.5	178.4	0	0	112.1	H881 D896 G902 Q903	H881-E898 PolarHBondContact NE2-O 3.18Å; D896-E898 PolarHBondContact O-N 2.9Å; E898-G902 WeakPolarHBondContact OE1-CA 3.48Å; E898-Q903 CarbonylContact C-O 3.58Å; E898-Q903 WeakPolarHBondContact CA-O 3.12Å
899	D	93.6	Very high	92	Very high	4 Å²	4	71.2 Å²	71.2	2%	0.021	36%	0.359	C	S	.	.			trans	-85.8	-176.9	172.8	79.5	5.9	0	0	0	112.8	G876 F877 Y901 G902 Q903 W905	G876-D899 WeakPolarHBondContact O-CB 3.29Å; F877-D899 HydrophobicContact CD1-CB 3.99Å; F877-D899 HydrophobicContact CD2-CB 4.42Å; F877-D899 HydrophobicContact CE1-CB 3.65Å; F877-D899 HydrophobicContact CE2-CB 4.13Å; F877-D899 HydrophobicContact CG-CB 4.35Å; F877-D899 HydrophobicContact CZ-CB 3.73Å; D899-Y901 PolarHBondContact O-N 3.35Å; D899-Y901 WeakPolarHBondContact OD1-CA 3.47Å; D899-Y901 PolarHBondContact OD1-N 3.14Å; D899-G902 PolarHBondContact O-N 3.15Å; D899-G902 PolarHBondContact OD1-N 3.34Å; D899-Q903 PolarHBondContact N-O 2.89Å; D899-Q903 PolarHBondContact OD1-N 2.96Å; D899-Q903 WeakPolarHBondContact OD2-CB 3.19Å; D899-Q903 PolarHBondContact OD2-NE2 3.31Å; D899-W905 PolarHBondContact OD2-NE1 3.05Å
900	S	94.6	Very high	92.1	Very high	38 Å²	38	71.2 Å²	71.2	27%	0.266	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.5	-178.4	-52.1	0	0	0	0	114.6	G876 L878 H881	G876-S900 VanDerWaalsContact O-CB 3.23Å; G876-S900 WeakPolarHBondContact O-CB 3.44Å; G876-S900 PolarHBondContact O-N 3.1Å; G876-S900 PolarHBondContact O-OG 3.24Å; L878-S900 WeakPolarHBondContact CB-OG 3.41Å; L878-S900 PolarHBondContact N-OG 2.99Å; H881-S900 VanDerWaalsContact CB-OG 3.22Å; H881-S900 WeakPolarHBondContact CB-OG 3.34Å
901	Y	94.1	Very high	92.4	Very high	153 Å²	153	69.3 Å²	69.3	60%	0.6	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	2.5	176.2	-62.6	-62.9	0	0	0	112.8	D899	D899-Y901 PolarHBondContact O-N 3.35Å; D899-Y901 WeakPolarHBondContact OD1-CA 3.47Å; D899-Y901 PolarHBondContact OD1-N 3.14Å
902	G	92.1	Very high	92.7	Very high	43 Å²	43	69.8 Å²	69.8	44%	0.443	35%	0.35	S	S	.	.	S	Bend	trans	83.3	19.2	-179.8	0	0	0	0	0	114.5	E898 D899	E898-G902 WeakPolarHBondContact OE1-CA 3.48Å; D899-G902 PolarHBondContact O-N 3.15Å; D899-G902 PolarHBondContact OD1-N 3.34Å
903	Q	94.4	Very high	93.2	Very high	104 Å²	104	64.5 Å²	64.5	49%	0.486	33%	0.331	S	S	.	.			trans	-89.4	144.5	174.3	-50.6	175.3	100	0	0	110.4	E898 D899	E898-Q903 CarbonylContact C-O 3.58Å; E898-Q903 WeakPolarHBondContact CA-O 3.12Å; D899-Q903 PolarHBondContact N-O 2.89Å; D899-Q903 PolarHBondContact OD1-N 2.96Å; D899-Q903 WeakPolarHBondContact OD2-CB 3.19Å; D899-Q903 PolarHBondContact OD2-NE2 3.31Å
904	Q	94.4	Very high	93.6	Very high	138 Å²	138	60.5 Å²	60.5	65%	0.645	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.6	178.7	-67.1	-176.6	-43.5	0	0	111.4	L897	L897-Q904 WeakPolarHBondContact O-CA 3.33Å
905	W	95.4	Very high	93.8	Very high	40 Å²	40	60.5 Å²	60.5	15%	0.152	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.7	-175	-71.3	77	0	0	0	112.5	N875 F877 N895 L897 D899 Q909 R910 V913	N875-W905 HydrophobicContact CB-CH2 4.43Å; N875-W905 WeakPolarHBondContact O-CZ2 3.36Å; F877-W905 AromaticContact CE2-CD2 3.86Å; F877-W905 HydrophobicContact CE2-CD2 3.86Å; F877-W905 AromaticContact CE2-CE2 3.77Å; F877-W905 HydrophobicContact CE2-CE3 4.38Å; F877-W905 HydrophobicContact CE2-CG 4.07Å; F877-W905 HydrophobicContact CE2-CZ2 4.28Å; F877-W905 AromaticContact CE2-NE1 3.81Å; F877-W905 HydrophobicContact CZ-CB 4.26Å; F877-W905 AromaticContact CZ-CD1 3.58Å; F877-W905 HydrophobicContact CZ-CD2 4.02Å; F877-W905 AromaticContact CZ-CG 3.71Å; F877-W905 HydrophobicContact CZ-CG 3.71Å; F877-W905 AromaticContact CZ-NE1 3.84Å; N895-W905 CarbonylContact C-O 3.58Å; N895-W905 CarbonylContact O-C 3.59Å; L897-W905 PolarHBondContact N-O 3.49Å; L897-W905 PolarHBondContact O-N 3.19Å; D899-W905 PolarHBondContact OD2-NE1 3.05Å; W905-Q909 HydrophobicContact CE3-CB 3.7Å; W905-Q909 HydrophobicContact CZ3-CB 4.15Å; W905-R910 HydrophobicContact CB-CB 4.47Å; W905-V913 HydrophobicContact CH2-CG2 4.13Å; W905-V913 HydrophobicContact CZ3-CG2 3.67Å
906	T	95.3	Very high	94	Very high	50 Å²	50	57.6 Å²	57.6	31%	0.307	29%	0.286	S	S	.	.			trans	-69.4	160.2	171.3	62.9	0	0	0	0	111.7	N895 E908 Q909 R910	N895-T906 HydrophobicContact CB-CG2 4.47Å; N895-T906 WeakPolarHBondContact O-CA 3.43Å; T906-E908 VanDerWaalsContact C-N 3.33Å; T906-E908 PolarHBondContact O-N 2.99Å; T906-Q909 PolarHBondContact O-N 2.7Å; T906-Q909 WeakPolarHBondContact OG1-CG 3.44Å; T906-Q909 PolarHBondContact OG1-N 2.66Å; T906-Q909 PolarHBondContact OG1-OE1 3.07Å; T906-R910 WeakPolarHBondContact O-CG 3.32Å; T906-R910 PolarHBondContact O-N 2.97Å; T906-R910 VanDerWaalsContact O-N 3.11Å
907	Y	91.9	Very high	94.2	Very high	44 Å²	44	53 Å²	53	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-53.7	-47.3	178.8	176	-93.6	0	0	0	112.5	R892 N895 R910 K911	R892-Y907 HydrophobicContact CB-CD2 4.38Å; R892-Y907 HydrophobicContact CB-CE2 4.38Å; R892-Y907 HydrophobicContact CG-CD2 4.17Å; R892-Y907 HydrophobicContact CG-CE1 4.29Å; R892-Y907 HydrophobicContact CG-CE2 3.69Å; N895-Y907 PolarHBondContact OD1-N 3.25Å; Y907-R910 WeakPolarHBondContact O-CG 3.44Å; Y907-R910 PolarHBondContact O-N 3.08Å; Y907-K911 HydrophobicContact CD1-CG 4.29Å; Y907-K911 HydrophobicContact CD2-CG 4.35Å; Y907-K911 HydrophobicContact CE1-CG 3.87Å; Y907-K911 HydrophobicContact CE2-CD 4.41Å; Y907-K911 HydrophobicContact CE2-CG 3.94Å; Y907-K911 WeakPolarHBondContact O-CB 3.45Å; Y907-K911 WeakPolarHBondContact O-CG 3.22Å; Y907-K911 PolarHBondContact O-N 2.83Å
908	E	90.8	Very high	94.4	Very high	124 Å²	124	52.9 Å²	52.9	58%	0.579	26%	0.26	S	S	*	.	H	α-helix	trans	-64.5	-43.8	179.5	-66.8	-57.8	138.9	0	0	112.4	T906 R910 K911 I912	T906-E908 VanDerWaalsContact C-N 3.33Å; T906-E908 PolarHBondContact O-N 2.99Å; E908-R910 VanDerWaalsContact C-N 3.35Å; E908-R910 PolarHBondContact O-N 2.94Å; E908-K911 PolarHBondContact O-N 3.2Å; E908-I912 VanDerWaalsContact O-CG1 3.29Å; E908-I912 WeakPolarHBondContact O-CG1 3.5Å; E908-I912 PolarHBondContact O-N 2.99Å
909	Q	93.8	Very high	94.6	Very high	94 Å²	94	47.1 Å²	47.1	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-42.4	180	-72.4	167	-47.5	0	0	112	W905 T906 V913	W905-Q909 HydrophobicContact CE3-CB 3.7Å; W905-Q909 HydrophobicContact CZ3-CB 4.15Å; T906-Q909 PolarHBondContact O-N 2.7Å; T906-Q909 WeakPolarHBondContact OG1-CG 3.44Å; T906-Q909 PolarHBondContact OG1-N 2.66Å; T906-Q909 PolarHBondContact OG1-OE1 3.07Å; Q909-V913 PolarHBondContact O-N 3.05Å
910	R	94.2	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-74.7	-33.6	178.1	71.5	-175.4	-174.5	-119.8	1.6	112.6	N888 W889 D891 N894 W905 T906 Y907 E908 V913 E914	N888-R910 PolarHBondContact O-NH2 3.14Å; W889-R910 HydrophobicContact CD2-CB 4.36Å; W889-R910 HydrophobicContact CD2-CG 4.27Å; W889-R910 HydrophobicContact CE3-CB 4.37Å; W889-R910 HydrophobicContact CH2-CB 3.82Å; W889-R910 HydrophobicContact CZ2-CB 3.79Å; W889-R910 HydrophobicContact CZ2-CG 4.37Å; W889-R910 VanDerWaalsContact CZ2-O 3.22Å; W889-R910 WeakPolarHBondContact CZ2-O 3.46Å; W889-R910 HydrophobicContact CZ3-CB 4.11Å; W889-R910 VanDerWaalsContact O-CZ 3.28Å; W889-R910 PolarHBondContact O-NE 3.37Å; W889-R910 PolarHBondContact O-NH2 3.43Å; D891-R910 PolarHBondContact O-NH2 3.13Å; N894-R910 PolarHBondContact O-NH1 3.14Å; N894-R910 PolarHBondContact O-NH2 3.28Å; W905-R910 HydrophobicContact CB-CB 4.47Å; T906-R910 WeakPolarHBondContact O-CG 3.32Å; T906-R910 PolarHBondContact O-N 2.97Å; T906-R910 VanDerWaalsContact O-N 3.11Å; Y907-R910 WeakPolarHBondContact O-CG 3.44Å; Y907-R910 PolarHBondContact O-N 3.08Å; E908-R910 VanDerWaalsContact C-N 3.35Å; E908-R910 PolarHBondContact O-N 2.94Å; R910-V913 WeakPolarHBondContact O-CB 3.24Å; R910-V913 PolarHBondContact O-N 3.43Å; R910-V913 VanDerWaalsContact O-N 3.14Å; R910-E914 PolarHBondContact O-N 3.31Å
911	K	93.6	Very high	94.9	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.057	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-32.9	173	-72.8	-67.4	177.1	-172.1	0	113	D890 Y907 E908 V913 E914 F915	D890-K911 IonicContact OD1-NZ 3.9Å; D890-K911 PolarHBondContact OD1-NZ 2.95Å; Y907-K911 HydrophobicContact CD1-CG 4.29Å; Y907-K911 HydrophobicContact CD2-CG 4.35Å; Y907-K911 HydrophobicContact CE1-CG 3.87Å; Y907-K911 HydrophobicContact CE2-CD 4.41Å; Y907-K911 HydrophobicContact CE2-CG 3.94Å; Y907-K911 WeakPolarHBondContact O-CB 3.45Å; Y907-K911 WeakPolarHBondContact O-CG 3.22Å; Y907-K911 PolarHBondContact O-N 2.83Å; E908-K911 PolarHBondContact O-N 3.2Å; K911-V913 VanDerWaalsContact C-N 3.32Å; K911-V913 PolarHBondContact O-N 3.48Å; K911-E914 WeakPolarHBondContact CD-OE2 3.44Å; K911-E914 WeakPolarHBondContact CE-OE2 3.49Å; K911-E914 VanDerWaalsContact NZ-CD 3.25Å; K911-E914 IonicContact NZ-OE1 3.79Å; K911-E914 PolarHBondContact NZ-OE1 3.48Å; K911-E914 IonicContact NZ-OE2 2.9Å; K911-E914 PolarHBondContact NZ-OE2 3.18Å; K911-E914 PolarHBondContact O-N 3.49Å; K911-F915 HydrophobicContact CB-CE2 4.11Å; K911-F915 HydrophobicContact CB-CZ 4.42Å; K911-F915 HydrophobicContact CD-CZ 4.41Å; K911-F915 WeakPolarHBondContact O-CD2 3.33Å; K911-F915 VanDerWaalsContact O-CG 3.24Å; K911-F915 WeakPolarHBondContact O-CG 3.29Å; K911-F915 PolarHBondContact O-N 3.19Å
912	I	94.9	Very high	95.1	Very high	72 Å²	72	37.9 Å²	37.9	37%	0.369	19%	0.191	S	C	.	.	H	α-helix	trans	-60.1	-42.1	168.3	-70.3	163.2	0	0	0	111	E908 T916 Y980	E908-I912 VanDerWaalsContact O-CG1 3.29Å; E908-I912 WeakPolarHBondContact O-CG1 3.5Å; E908-I912 PolarHBondContact O-N 2.99Å; I912-T916 WeakPolarHBondContact O-CB 2.91Å; I912-T916 PolarHBondContact O-N 2.91Å; I912-T916 PolarHBondContact O-OG1 3.45Å; I912-Y980 HydrophobicContact CB-CE1 4.41Å; I912-Y980 HydrophobicContact CG1-CE1 4.09Å; I912-Y980 HydrophobicContact CG2-CD1 4.07Å; I912-Y980 HydrophobicContact CG2-CE1 3.85Å
913	V	95.8	Very high	95.3	Very high	9 Å²	9	35.9 Å²	35.9	6%	0.055	17%	0.171	C	C	.	.	H	α-helix	trans	-65.7	-42.5	175.5	177.4	0	0	0	0	111.3	M872 N875 W905 Q909 R910 K911 T916 C917	M872-V913 HydrophobicContact SD-CG1 3.97Å; N875-V913 HydrophobicContact CB-CG1 4.16Å; N875-V913 HydrophobicContact CB-CG2 4.28Å; W905-V913 HydrophobicContact CH2-CG2 4.13Å; W905-V913 HydrophobicContact CZ3-CG2 3.67Å; Q909-V913 PolarHBondContact O-N 3.05Å; R910-V913 WeakPolarHBondContact O-CB 3.24Å; R910-V913 PolarHBondContact O-N 3.43Å; R910-V913 VanDerWaalsContact O-N 3.14Å; K911-V913 VanDerWaalsContact C-N 3.32Å; K911-V913 PolarHBondContact O-N 3.48Å; V913-T916 WeakPolarHBondContact O-CB 3.32Å; V913-T916 PolarHBondContact O-N 3.45Å; V913-C917 PolarHBondContact O-N 3.27Å; V913-C917 PolarHBondContact O-SG 2.94Å
914	E	95.4	Very high	95.5	Very high	10 Å²	10	31 Å²	31	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-58.2	-49.5	174.6	179.4	-179.9	130.6	0	0	112.4	W889 R910 K911 T916 C917 H918	W889-E914 VanDerWaalsContact CD1-OE2 3.27Å; W889-E914 HydrophobicContact CZ2-CB 4.2Å; W889-E914 PolarHBondContact NE1-OE2 3Å; R910-E914 PolarHBondContact O-N 3.31Å; K911-E914 WeakPolarHBondContact CD-OE2 3.44Å; K911-E914 WeakPolarHBondContact CE-OE2 3.49Å; K911-E914 VanDerWaalsContact NZ-CD 3.25Å; K911-E914 IonicContact NZ-OE1 3.79Å; K911-E914 PolarHBondContact NZ-OE1 3.48Å; K911-E914 IonicContact NZ-OE2 2.9Å; K911-E914 PolarHBondContact NZ-OE2 3.18Å; K911-E914 PolarHBondContact O-N 3.49Å; E914-T916 VanDerWaalsContact C-N 3.29Å; E914-T916 PolarHBondContact O-N 2.82Å; E914-C917 CarbonylContact O-C 3.55Å; E914-C917 WeakPolarHBondContact O-CA 3.45Å; E914-C917 VanDerWaalsContact O-CB 3.28Å; E914-C917 WeakPolarHBondContact O-CB 3.42Å; E914-C917 PolarHBondContact O-N 3Å; E914-H918 PolarHBondContact O-CD2 3.29Å; E914-H918 PolarHBondContact O-N 3.19Å; E914-H918 IonicContact OE1-CE1 3.61Å
915	F	95.3	Very high	95.7	Very high	30 Å²	30	24.5 Å²	24.5	13%	0.132	12%	0.118	C	C	.	.	H	α-helix	trans	-68.4	-29.5	178.4	-59.6	-31.1	0	0	0	112.5	K911 H918 T919 R978 Y980	K911-F915 HydrophobicContact CB-CE2 4.11Å; K911-F915 HydrophobicContact CB-CZ 4.42Å; K911-F915 HydrophobicContact CD-CZ 4.41Å; K911-F915 WeakPolarHBondContact O-CD2 3.33Å; K911-F915 VanDerWaalsContact O-CG 3.24Å; K911-F915 WeakPolarHBondContact O-CG 3.29Å; K911-F915 PolarHBondContact O-N 3.19Å; F915-H918 AromaticContact CD1-CE1 3.9Å; F915-H918 AromaticContact CD1-ND1 3.73Å; F915-H918 PolarHBondContact O-N 3.16Å; F915-T919 PolarHBondContact O-N 3.1Å; F915-T919 PolarHBondContact O-OG1 3.5Å; F915-R978 HydrophobicContact CB-CB 4.4Å; F915-R978 HydrophobicContact CD1-CB 4.29Å; F915-R978 HydrophobicContact CD2-CB 4.27Å; F915-R978 HydrophobicContact CD2-CG 4.48Å; F915-R978 HydrophobicContact CE2-CG 4.47Å; F915-R978 HydrophobicContact CG-CB 4.07Å; F915-Y980 HydrophobicContact CB-CD2 3.5Å; F915-Y980 VanDerWaalsContact CB-CD2 3.5Å; F915-Y980 HydrophobicContact CB-CE2 3.44Å; F915-Y980 VanDerWaalsContact CB-CE2 3.44Å; F915-Y980 AromaticContact CD2-CE2 3.84Å; F915-Y980 HydrophobicContact CD2-CE2 3.84Å; F915-Y980 HydrophobicContact CG-CE2 4.11Å
916	T	96.2	Very high	95.8	Very high	13 Å²	13	22.6 Å²	22.6	8%	0.08	11%	0.111	C	C	.	.	H	α-helix	trans	-65.1	-41.9	168.1	-57.4	0	0	0	0	111.3	I871 I912 V913 E914 T919 A920 Y980 L982 W986	I871-T916 HydrophobicContact CG2-CG2 4.47Å; I912-T916 WeakPolarHBondContact O-CB 2.91Å; I912-T916 PolarHBondContact O-N 2.91Å; I912-T916 PolarHBondContact O-OG1 3.45Å; V913-T916 WeakPolarHBondContact O-CB 3.32Å; V913-T916 PolarHBondContact O-N 3.45Å; E914-T916 VanDerWaalsContact C-N 3.29Å; E914-T916 PolarHBondContact O-N 2.82Å; T916-T919 PolarHBondContact O-N 3.45Å; T916-A920 PolarHBondContact O-N 3.3Å; T916-Y980 WeakPolarHBondContact OG1-CB 3.2Å; T916-L982 HydrophobicContact CG2-CD2 4.16Å; T916-W986 HydrophobicContact CG2-CE3 4.22Å; T916-W986 HydrophobicContact CG2-CH2 3.82Å; T916-W986 HydrophobicContact CG2-CZ3 3.34Å
917	C	96.9	Very high	95.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-44.9	172.6	-75.4	0	0	0	0	112.1	Y868 I871 V913 E914 T919 A920 F921	Y868-C917 HydrophobicContact CD2-CB 3.88Å; Y868-C917 HydrophobicContact CE2-CB 4.34Å; I871-C917 WeakPolarHBondContact CG2-SG 3.32Å; V913-C917 PolarHBondContact O-N 3.27Å; V913-C917 PolarHBondContact O-SG 2.94Å; E914-C917 CarbonylContact O-C 3.55Å; E914-C917 WeakPolarHBondContact O-CA 3.45Å; E914-C917 VanDerWaalsContact O-CB 3.28Å; E914-C917 WeakPolarHBondContact O-CB 3.42Å; E914-C917 PolarHBondContact O-N 3Å; C917-T919 VanDerWaalsContact C-N 3.28Å; C917-T919 PolarHBondContact O-N 3.14Å; C917-A920 PolarHBondContact O-N 3Å; C917-F921 WeakPolarHBondContact O-CB 3.41Å; C917-F921 PolarHBondContact O-N 3.34Å
918	H	96.1	Very high	96.2	Very high	11 Å²	11	18.2 Å²	18.2	5%	0.051	9%	0.088	C	C	.	.	H	α-helix	trans	-54.8	-45.9	173.3	-65.8	178.3	0	0	0	111.3	L799 T805 E914 F915 A920 F921 F922	L799-H918 PolarHBondContact O-CD2 3.47Å; L799-H918 VanDerWaalsContact O-CD2 3.3Å; L799-H918 PolarHBondContact O-NE2 2.92Å; L799-H918 VanDerWaalsContact O-NE2 3.09Å; T805-H918 HydrophobicContact CG2-CB 4.1Å; E914-H918 PolarHBondContact O-CD2 3.29Å; E914-H918 PolarHBondContact O-N 3.19Å; E914-H918 IonicContact OE1-CE1 3.61Å; F915-H918 AromaticContact CD1-CE1 3.9Å; F915-H918 AromaticContact CD1-ND1 3.73Å; F915-H918 PolarHBondContact O-N 3.16Å; H918-A920 VanDerWaalsContact C-N 3.34Å; H918-A920 PolarHBondContact O-N 3.23Å; H918-F921 PolarHBondContact O-N 2.74Å; H918-F922 WeakPolarHBondContact O-CB 3.35Å; H918-F922 PolarHBondContact O-N 3.36Å
919	T	97.1	Very high	96.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-37.2	-179.3	-46.3	0	0	0	0	111.8	F915 T916 C917 F922 V923 M979 Y980 L982	F915-T919 PolarHBondContact O-N 3.1Å; F915-T919 PolarHBondContact O-OG1 3.5Å; T916-T919 PolarHBondContact O-N 3.45Å; C917-T919 VanDerWaalsContact C-N 3.28Å; C917-T919 PolarHBondContact O-N 3.14Å; T919-F922 WeakPolarHBondContact O-CB 3.49Å; T919-V923 WeakPolarHBondContact O-CG2 3.34Å; T919-V923 PolarHBondContact O-N 3.03Å; T919-M979 HydrophobicContact CG2-CB 4.09Å; T919-M979 HydrophobicContact CG2-CG 4.23Å; T919-M979 WeakPolarHBondContact OG1-CA 3.48Å; T919-Y980 WeakPolarHBondContact CG2-O 3.37Å; T919-Y980 PolarHBondContact OG1-N 2.75Å; T919-L982 HydrophobicContact CG2-CD1 4.48Å; T919-L982 HydrophobicContact CG2-CD2 4.23Å; T919-L982 HydrophobicContact CG2-CG 4.25Å
920	A	97.2	Very high	96.8	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.008	5%	0.05	C	C	.	.	H	α-helix	trans	-75.4	-32.8	177.5	0	0	0	0	0	113.2	I871 T916 C917 H918 S924 L982	I871-A920 HydrophobicContact CD1-CB 3.06Å; T916-A920 PolarHBondContact O-N 3.3Å; C917-A920 PolarHBondContact O-N 3Å; H918-A920 VanDerWaalsContact C-N 3.34Å; H918-A920 PolarHBondContact O-N 3.23Å; A920-S924 VanDerWaalsContact O-CB 3.26Å; A920-S924 WeakPolarHBondContact O-CB 3.42Å; A920-S924 PolarHBondContact O-N 2.99Å; A920-S924 PolarHBondContact O-OG 3.12Å; A920-L982 HydrophobicContact CB-CD1 4.22Å; A920-L982 HydrophobicContact CB-CD2 3.76Å
921	F	97.9	Very high	96.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66.2	-45.2	172.5	-157.1	-59.7	0	0	0	109.6	P784 P788 P800 L801 G864 F865 C917 H918 S924 I925	P784-F921 HydrophobicContact CB-CE1 4.09Å; P784-F921 WeakPolarHBondContact O-CE1 3.45Å; P788-F921 HydrophobicContact CG-CE1 3.99Å; P788-F921 HydrophobicContact CG-CE2 3.94Å; P788-F921 HydrophobicContact CG-CZ 3.57Å; P800-F921 HydrophobicContact CB-CD2 3.79Å; P800-F921 HydrophobicContact CB-CE2 3.82Å; P800-F921 WeakPolarHBondContact O-CB 3.1Å; L801-F921 HydrophobicContact CB-CD1 4.27Å; L801-F921 HydrophobicContact CB-CG 4.28Å; L801-F921 HydrophobicContact CD1-CB 3.96Å; L801-F921 HydrophobicContact CD1-CD1 4.02Å; L801-F921 HydrophobicContact CD1-CG 4.23Å; L801-F921 HydrophobicContact CD2-CD1 4.32Å; L801-F921 HydrophobicContact CG-CD1 4.44Å; G864-F921 WeakPolarHBondContact O-CD2 3.17Å; F865-F921 HydrophobicContact CD1-CE2 4.35Å; F865-F921 HydrophobicContact CD2-CE2 4.36Å; F865-F921 HydrophobicContact CD2-CZ 4.35Å; F865-F921 HydrophobicContact CE2-CZ 4.47Å; F865-F921 HydrophobicContact CG-CE2 4.22Å; C917-F921 WeakPolarHBondContact O-CB 3.41Å; C917-F921 PolarHBondContact O-N 3.34Å; H918-F921 PolarHBondContact O-N 2.74Å; F921-S924 WeakPolarHBondContact O-CA 3.15Å; F921-S924 VanDerWaalsContact O-CB 3.31Å; F921-S924 WeakPolarHBondContact O-CB 3.34Å; F921-S924 PolarHBondContact O-N 2.94Å; F921-S924 VanDerWaalsContact O-N 3.1Å; F921-I925 HydrophobicContact CD1-CD1 3.87Å; F921-I925 HydrophobicContact CD1-CG1 4.15Å; F921-I925 HydrophobicContact CE1-CD1 4Å; F921-I925 HydrophobicContact CE1-CG1 4.25Å; F921-I925 WeakPolarHBondContact O-CG1 3.42Å; F921-I925 PolarHBondContact O-N 3.15Å
922	F	97.6	Very high	97.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-53.5	-53.3	170.2	163.5	-102.8	0	0	0	112.5	L801 C808 I809 T813 H918 T919 S924 I925 V926 A964 L967 M979	L801-F922 HydrophobicContact CD1-CB 4.36Å; C808-F922 HydrophobicContact CB-CD2 4.45Å; C808-F922 HydrophobicContact CB-CE2 3.93Å; C808-F922 HydrophobicContact CB-CZ 4.48Å; I809-F922 HydrophobicContact CD1-CD2 4.04Å; I809-F922 HydrophobicContact CG1-CD2 3.53Å; I809-F922 HydrophobicContact CG1-CE2 3.75Å; T813-F922 HydrophobicContact CG2-CE2 3.94Å; T813-F922 HydrophobicContact CG2-CZ 3.7Å; H918-F922 WeakPolarHBondContact O-CB 3.35Å; H918-F922 PolarHBondContact O-N 3.36Å; T919-F922 WeakPolarHBondContact O-CB 3.49Å; F922-S924 PolarHBondContact O-N 3.41Å; F922-I925 WeakPolarHBondContact O-CB 3.29Å; F922-I925 PolarHBondContact O-N 2.77Å; F922-I925 VanDerWaalsContact O-N 3.14Å; F922-V926 HydrophobicContact CE2-CG2 4.46Å; F922-V926 HydrophobicContact CZ-CG2 4.41Å; F922-V926 PolarHBondContact O-N 2.85Å; F922-V926 VanDerWaalsContact O-N 3.15Å; F922-A964 HydrophobicContact CE1-CB 3.94Å; F922-A964 HydrophobicContact CZ-CB 4.14Å; F922-L967 HydrophobicContact CE1-CD1 4.44Å; F922-L967 HydrophobicContact CZ-CD1 3.94Å; F922-M979 HydrophobicContact CD1-CE 3.71Å; F922-M979 HydrophobicContact CD1-SD 4.27Å; F922-M979 HydrophobicContact CD2-CE 4.02Å; F922-M979 HydrophobicContact CE1-CE 3.83Å; F922-M979 HydrophobicContact CE1-SD 4.21Å; F922-M979 HydrophobicContact CE2-CE 4.14Å; F922-M979 HydrophobicContact CG-CE 3.82Å; F922-M979 HydrophobicContact CZ-CE 4.06Å
923	V	97.7	Very high	97.3	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.006	3%	0.031	C	C	.	.	H	α-helix	trans	-62.7	-32.4	175.8	166.8	0	0	0	0	112.1	T919 I925 V926 V927 L982 W987	T919-V923 WeakPolarHBondContact O-CG2 3.34Å; T919-V923 PolarHBondContact O-N 3.03Å; V923-I925 VanDerWaalsContact C-N 3.35Å; V923-V926 PolarHBondContact O-N 2.87Å; V923-V927 HydrophobicContact CG1-CG2 4.37Å; V923-V927 VanDerWaalsContact O-CG2 3.32Å; V923-V927 WeakPolarHBondContact O-CG2 3.46Å; V923-V927 PolarHBondContact O-N 3.17Å; V923-L982 HydrophobicContact CB-CD1 3.8Å; V923-L982 HydrophobicContact CG1-CD1 4.14Å; V923-L982 HydrophobicContact CG2-CD1 3.63Å; V923-W987 HydrophobicContact CG1-CD2 3.61Å; V923-W987 HydrophobicContact CG1-CE3 3.47Å; V923-W987 VanDerWaalsContact CG1-CE3 3.47Å; V923-W987 HydrophobicContact CG1-CG 4.23Å; V923-W987 HydrophobicContact CG1-CH2 4.02Å; V923-W987 HydrophobicContact CG1-CZ2 4.15Å; V923-W987 HydrophobicContact CG1-CZ3 3.7Å; V923-W987 HydrophobicContact CG2-CH2 4.13Å; V923-W987 HydrophobicContact CG2-CZ2 4.07Å
924	S	98	Very high	97.4	Very high	2 Å²	2	8 Å²	8	1%	0.014	4%	0.038	C	C	.	.	H	α-helix	trans	-65.4	-37.8	175.4	-64.2	0	0	0	0	112.3	A867 A920 F921 F922 V927 V928	A867-S924 WeakPolarHBondContact CB-OG 3.15Å; A920-S924 VanDerWaalsContact O-CB 3.26Å; A920-S924 WeakPolarHBondContact O-CB 3.42Å; A920-S924 PolarHBondContact O-N 2.99Å; A920-S924 PolarHBondContact O-OG 3.12Å; F921-S924 WeakPolarHBondContact O-CA 3.15Å; F921-S924 VanDerWaalsContact O-CB 3.31Å; F921-S924 WeakPolarHBondContact O-CB 3.34Å; F921-S924 PolarHBondContact O-N 2.94Å; F921-S924 VanDerWaalsContact O-N 3.1Å; F922-S924 PolarHBondContact O-N 3.41Å; S924-V927 PolarHBondContact O-N 2.98Å; S924-V928 WeakPolarHBondContact O-CG2 3.36Å; S924-V928 PolarHBondContact O-N 3.41Å
925	I	97.9	Very high	97.5	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-61.9	-50.7	172.7	-66.6	168.9	0	0	0	109.7	P784 E785 L801 I809 F921 F922 V923 V927 V928 Q929	P784-I925 HydrophobicContact CB-CD1 3.95Å; P784-I925 HydrophobicContact CB-CG1 3.88Å; P784-I925 HydrophobicContact CG-CD1 4.22Å; P784-I925 HydrophobicContact CG-CG1 4.08Å; E785-I925 HydrophobicContact CG-CD1 4.14Å; L801-I925 HydrophobicContact CD2-CD1 4.06Å; I809-I925 HydrophobicContact CD1-CB 4.27Å; I809-I925 HydrophobicContact CD1-CD1 3.52Å; I809-I925 HydrophobicContact CD1-CG1 4.49Å; I809-I925 HydrophobicContact CD1-CG2 4.11Å; I809-I925 HydrophobicContact CG2-CG2 4.32Å; F921-I925 HydrophobicContact CD1-CD1 3.87Å; F921-I925 HydrophobicContact CD1-CG1 4.15Å; F921-I925 HydrophobicContact CE1-CD1 4Å; F921-I925 HydrophobicContact CE1-CG1 4.25Å; F921-I925 WeakPolarHBondContact O-CG1 3.42Å; F921-I925 PolarHBondContact O-N 3.15Å; F922-I925 WeakPolarHBondContact O-CB 3.29Å; F922-I925 PolarHBondContact O-N 2.77Å; F922-I925 VanDerWaalsContact O-N 3.14Å; V923-I925 VanDerWaalsContact C-N 3.35Å; I925-V927 VanDerWaalsContact C-N 3.32Å; I925-V927 PolarHBondContact O-N 3.01Å; I925-V928 WeakPolarHBondContact O-CG2 3.37Å; I925-V928 PolarHBondContact O-N 3.09Å; I925-V928 VanDerWaalsContact O-N 3.08Å; I925-Q929 HydrophobicContact CG2-CG 3.95Å; I925-Q929 WeakPolarHBondContact O-CB 3.24Å; I925-Q929 WeakPolarHBondContact O-CG 3.33Å; I925-Q929 PolarHBondContact O-N 2.9Å
926	V	98	Very high	97.6	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-54.4	-45.8	176.1	172	0	0	0	0	112.1	T813 F922 V923 V928 Q929 W930 E960 A964	T813-V926 HydrophobicContact CG2-CG2 3.92Å; F922-V926 HydrophobicContact CE2-CG2 4.46Å; F922-V926 HydrophobicContact CZ-CG2 4.41Å; F922-V926 PolarHBondContact O-N 2.85Å; F922-V926 VanDerWaalsContact O-N 3.15Å; V923-V926 PolarHBondContact O-N 2.87Å; V926-V928 VanDerWaalsContact C-N 3.31Å; V926-V928 PolarHBondContact O-N 3.03Å; V926-Q929 PolarHBondContact O-N 2.82Å; V926-W930 HydrophobicContact CG1-CZ2 4.48Å; V926-W930 PolarHBondContact O-N 2.84Å; V926-W930 VanDerWaalsContact O-N 3.09Å; V926-W930 PolarHBondContact O-NE1 2.99Å; V926-E960 HydrophobicContact CG1-CG 3.98Å; V926-A964 HydrophobicContact CB-CB 4.47Å; V926-A964 HydrophobicContact CG1-CB 4.17Å; V926-A964 HydrophobicContact CG2-CB 4.05Å
927	V	98.1	Very high	97.6	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.006	3%	0.029	C	C	.	.	H	α-helix	trans	-63.1	-33.4	179.6	169.4	0	0	0	0	112.9	V923 S924 I925 W930 A990 F991 S994	V923-V927 HydrophobicContact CG1-CG2 4.37Å; V923-V927 VanDerWaalsContact O-CG2 3.32Å; V923-V927 WeakPolarHBondContact O-CG2 3.46Å; V923-V927 PolarHBondContact O-N 3.17Å; S924-V927 PolarHBondContact O-N 2.98Å; I925-V927 VanDerWaalsContact C-N 3.32Å; I925-V927 PolarHBondContact O-N 3.01Å; V927-W930 HydrophobicContact CB-CE3 4.47Å; V927-W930 HydrophobicContact CB-CZ3 4.42Å; V927-W930 HydrophobicContact CG1-CE3 4.28Å; V927-W930 HydrophobicContact CG1-CZ3 4.19Å; V927-W930 HydrophobicContact CG2-CE3 4.49Å; V927-W930 HydrophobicContact CG2-CH2 3.81Å; V927-W930 HydrophobicContact CG2-CZ2 4.11Å; V927-W930 HydrophobicContact CG2-CZ3 4.01Å; V927-A990 HydrophobicContact CB-CB 4.03Å; V927-A990 HydrophobicContact CG1-CB 3.88Å; V927-F991 HydrophobicContact CG1-CB 4.43Å; V927-F991 HydrophobicContact CG1-CD2 4.3Å; V927-S994 WeakPolarHBondContact O-CB 3.18Å; V927-S994 PolarHBondContact O-OG 2.98Å
928	V	98.3	Very high	97.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-84.6	-28.5	175	-61.7	0	0	0	0	112.9	Q860 S924 I925 V926 W930 A931 D932 A990 I997	Q860-V928 HydrophobicContact CB-CB 4.48Å; Q860-V928 HydrophobicContact CB-CG2 3.65Å; Q860-V928 HydrophobicContact CG-CB 3.96Å; Q860-V928 HydrophobicContact CG-CG2 3.43Å; Q860-V928 VanDerWaalsContact CG-CG2 3.43Å; S924-V928 WeakPolarHBondContact O-CG2 3.36Å; S924-V928 PolarHBondContact O-N 3.41Å; I925-V928 WeakPolarHBondContact O-CG2 3.37Å; I925-V928 PolarHBondContact O-N 3.09Å; I925-V928 VanDerWaalsContact O-N 3.08Å; V926-V928 VanDerWaalsContact C-N 3.31Å; V926-V928 PolarHBondContact O-N 3.03Å; V928-W930 PolarHBondContact O-N 3.3Å; V928-A931 PolarHBondContact O-N 2.67Å; V928-A931 VanDerWaalsContact O-N 3.09Å; V928-D932 PolarHBondContact O-N 2.83Å; V928-A990 HydrophobicContact CG1-CB 4.26Å; V928-I997 HydrophobicContact CB-CD1 3.89Å; V928-I997 HydrophobicContact CG1-CD1 4.27Å
929	Q	98.1	Very high	97.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-63.4	-28.3	171.3	-74.1	-62.7	71.7	0	0	112.2	Y777 S781 D814 I925 V926 A931 D932 V933 E960	Y777-Q929 HydrophobicContact CE2-CB 3.98Å; Y777-Q929 HydrophobicContact CE2-CG 4.24Å; Y777-Q929 VanDerWaalsContact CZ-NE2 3.33Å; S781-Q929 PolarHBondContact OG-NE2 2.83Å; D814-Q929 PolarHBondContact OD2-NE2 3.18Å; I925-Q929 HydrophobicContact CG2-CG 3.95Å; I925-Q929 WeakPolarHBondContact O-CB 3.24Å; I925-Q929 WeakPolarHBondContact O-CG 3.33Å; I925-Q929 PolarHBondContact O-N 2.9Å; V926-Q929 PolarHBondContact O-N 2.82Å; Q929-A931 VanDerWaalsContact C-N 3.29Å; Q929-A931 PolarHBondContact O-N 3.33Å; Q929-D932 PolarHBondContact O-N 3.35Å; Q929-D932 VanDerWaalsContact O-N 3.11Å; Q929-V933 WeakPolarHBondContact O-CG1 3.42Å; Q929-V933 PolarHBondContact O-N 3.46Å; Q929-E960 WeakPolarHBondContact CB-OE1 3.2Å
930	W	98	Very high	97.6	Very high	56 Å²	56	9.1 Å²	9.1	21%	0.212	4%	0.04	C	C	.	.	H	α-helix	trans	-55.8	-42.7	168.9	-60.7	-14.3	0	0	0	113.1	V926 V927 V928 I934 L957 T961 F991	V926-W930 HydrophobicContact CG1-CZ2 4.48Å; V926-W930 PolarHBondContact O-N 2.84Å; V926-W930 VanDerWaalsContact O-N 3.09Å; V926-W930 PolarHBondContact O-NE1 2.99Å; V927-W930 HydrophobicContact CB-CE3 4.47Å; V927-W930 HydrophobicContact CB-CZ3 4.42Å; V927-W930 HydrophobicContact CG1-CE3 4.28Å; V927-W930 HydrophobicContact CG1-CZ3 4.19Å; V927-W930 HydrophobicContact CG2-CE3 4.49Å; V927-W930 HydrophobicContact CG2-CH2 3.81Å; V927-W930 HydrophobicContact CG2-CZ2 4.11Å; V927-W930 HydrophobicContact CG2-CZ3 4.01Å; V928-W930 PolarHBondContact O-N 3.3Å; W930-I934 VanDerWaalsContact O-CD1 3.26Å; W930-I934 WeakPolarHBondContact O-CD1 3.26Å; W930-I934 WeakPolarHBondContact O-CG1 3.36Å; W930-L957 HydrophobicContact CB-CD2 3.97Å; W930-L957 HydrophobicContact CG-CD2 4.06Å; W930-T961 HydrophobicContact CZ2-CG2 3.76Å; W930-T961 VanDerWaalsContact CZ2-OG1 3.29Å; W930-T961 WeakPolarHBondContact CZ2-OG1 3.3Å; W930-T961 PolarHBondContact NE1-OG1 3.43Å; W930-F991 HydrophobicContact CZ3-CD2 4.38Å; W930-F991 HydrophobicContact CZ3-CE2 4.26Å
931	A	97.9	Very high	97.6	Very high	4 Å²	4	10.7 Å²	10.7	3%	0.033	5%	0.048	C	C	.	.	H	α-helix	trans	-73.4	-40.3	174.5	0	0	0	0	0	110.7	V928 Q929 I934 I935 S994 I997 F998	V928-A931 PolarHBondContact O-N 2.67Å; V928-A931 VanDerWaalsContact O-N 3.09Å; Q929-A931 VanDerWaalsContact C-N 3.29Å; Q929-A931 PolarHBondContact O-N 3.33Å; A931-I934 PolarHBondContact O-N 2.85Å; A931-I935 WeakPolarHBondContact O-CG1 3.29Å; A931-I935 PolarHBondContact O-N 3.18Å; A931-S994 WeakPolarHBondContact CB-O 3.41Å; A931-S994 WeakPolarHBondContact CB-OG 3.02Å; A931-I997 HydrophobicContact CB-CB 4.11Å; A931-I997 HydrophobicContact CB-CG2 3.91Å; A931-F998 HydrophobicContact CB-CB 4.32Å
932	D	98.3	Very high	97.5	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-62.7	-46.4	-177.7	-160.7	45.3	0	0	0	113	Y777 T780 V928 Q929 I934 I935 C936	Y777-D932 WeakPolarHBondContact CA-OD2 3.38Å; Y777-D932 HydrophobicContact CD2-CB 4.1Å; Y777-D932 WeakPolarHBondContact CD2-OD2 3.3Å; Y777-D932 HydrophobicContact CE2-CB 4.4Å; T780-D932 VanDerWaalsContact CB-OD2 3.28Å; T780-D932 WeakPolarHBondContact CB-OD2 3.48Å; T780-D932 PolarHBondContact OG1-OD2 3.29Å; V928-D932 PolarHBondContact O-N 2.83Å; Q929-D932 PolarHBondContact O-N 3.35Å; Q929-D932 VanDerWaalsContact O-N 3.11Å; D932-I934 PolarHBondContact O-N 3.07Å; D932-I935 VanDerWaalsContact O-CG1 3.29Å; D932-I935 WeakPolarHBondContact O-CG1 3.19Å; D932-I935 PolarHBondContact O-N 2.92Å; D932-I935 VanDerWaalsContact O-N 3.14Å; D932-C936 VanDerWaalsContact O-CB 3.24Å; D932-C936 WeakPolarHBondContact O-CB 3.28Å; D932-C936 PolarHBondContact O-N 2.97Å
933	V	97.6	Very high	97.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.7	-33.3	175.9	73	0	0	0	0	111.9	Y777 P817 L821 Q929 K937 L953 L957	Y777-V933 HydrophobicContact CD2-CB 3.93Å; Y777-V933 HydrophobicContact CE2-CB 3.7Å; Y777-V933 HydrophobicContact CE2-CG2 4.44Å; P817-V933 HydrophobicContact CB-CG2 4.06Å; L821-V933 HydrophobicContact CD1-CG2 4.24Å; L821-V933 HydrophobicContact CD2-CG2 4.19Å; L821-V933 HydrophobicContact CG-CG2 4.19Å; Q929-V933 WeakPolarHBondContact O-CG1 3.42Å; Q929-V933 PolarHBondContact O-N 3.46Å; V933-K937 WeakPolarHBondContact O-CB 3.47Å; V933-K937 PolarHBondContact O-N 3.15Å; V933-K937 VanDerWaalsContact O-N 3.12Å; V933-L953 HydrophobicContact CG2-CD1 4.05Å; V933-L953 HydrophobicContact CG2-CD2 4.5Å; V933-L953 HydrophobicContact CG2-CG 4.01Å; V933-L957 HydrophobicContact CG1-CD2 3.56Å; V933-L957 HydrophobicContact CG1-CG 4.14Å
934	I	97.8	Very high	97.3	Very high	37 Å²	37	19.3 Å²	19.3	19%	0.19	9%	0.088	C	C	.	.	H	α-helix	trans	-70.4	-37.5	175.7	-69.7	172.8	0	0	0	111.6	W930 A931 D932 K937 V943 M948 L957 F998	W930-I934 VanDerWaalsContact O-CD1 3.26Å; W930-I934 WeakPolarHBondContact O-CD1 3.26Å; W930-I934 WeakPolarHBondContact O-CG1 3.36Å; A931-I934 PolarHBondContact O-N 2.85Å; D932-I934 PolarHBondContact O-N 3.07Å; I934-K937 WeakPolarHBondContact O-CB 3.35Å; I934-V943 HydrophobicContact CG2-CG1 4.06Å; I934-V943 HydrophobicContact CG2-CG2 4.01Å; I934-M948 HydrophobicContact CD1-CE 4.26Å; I934-M948 HydrophobicContact CG1-CE 3.88Å; I934-L957 HydrophobicContact CD1-CD1 4.42Å; I934-L957 HydrophobicContact CG1-CD1 4.47Å; I934-F998 HydrophobicContact CG2-CD2 3.9Å; I934-F998 HydrophobicContact CG2-CE2 3.8Å
935	I	97.3	Very high	97.1	Very high	5 Å²	5	25 Å²	25	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-79.3	-43.5	178.4	61.5	156.7	0	0	0	112	I856 A931 D932 K937 T938 I997 F998 D1001 K1005	I856-I935 HydrophobicContact CD1-CD1 3.96Å; I856-I935 HydrophobicContact CG1-CD1 4.13Å; I856-I935 HydrophobicContact CG2-CD1 4.38Å; A931-I935 WeakPolarHBondContact O-CG1 3.29Å; A931-I935 PolarHBondContact O-N 3.18Å; D932-I935 VanDerWaalsContact O-CG1 3.29Å; D932-I935 WeakPolarHBondContact O-CG1 3.19Å; D932-I935 PolarHBondContact O-N 2.92Å; D932-I935 VanDerWaalsContact O-N 3.14Å; I935-K937 PolarHBondContact O-N 3.14Å; I935-T938 PolarHBondContact O-N 2.71Å; I935-T938 VanDerWaalsContact O-N 3.12Å; I935-I997 HydrophobicContact CD1-CG2 3.62Å; I935-I997 HydrophobicContact CG1-CG2 4.22Å; I935-F998 HydrophobicContact CG2-CD2 4.23Å; I935-D1001 HydrophobicContact CB-CB 3.84Å; I935-D1001 WeakPolarHBondContact CB-OD2 3.39Å; I935-D1001 HydrophobicContact CD1-CB 3.55Å; I935-D1001 HydrophobicContact CG1-CB 4.29Å; I935-D1001 HydrophobicContact CG2-CB 3.77Å; I935-K1005 PolarHBondContact O-NZ 2.67Å
936	C	97.6	Very high	96.9	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-61.6	-22.6	174.7	-76.8	0	0	0	0	112.5	K773 D932 T938	K773-C936 WeakPolarHBondContact CB-O 3.44Å; K773-C936 VanDerWaalsContact CD-O 3.25Å; K773-C936 WeakPolarHBondContact CD-O 3.42Å; K773-C936 WeakPolarHBondContact CG-O 3.36Å; D932-C936 VanDerWaalsContact O-CB 3.24Å; D932-C936 WeakPolarHBondContact O-CB 3.28Å; D932-C936 PolarHBondContact O-N 2.97Å; C936-T938 PolarHBondContact O-N 3.37Å; C936-T938 VanDerWaalsContact O-N 3.14Å
937	K	96.9	Very high	96.8	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.017	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-36.9	169.3	-163.3	-172	-179.7	-56.2	0	113.8	K773 E824 V933 I934 I935 G947 M948 L953	K773-K937 WeakPolarHBondContact CE-O 3.48Å; K773-K937 PolarHBondContact NZ-O 3.31Å; E824-K937 HydrophobicContact CG-CG 3.96Å; E824-K937 WeakPolarHBondContact OE1-CE 3.44Å; E824-K937 WeakPolarHBondContact OE1-CG 3.48Å; E824-K937 IonicContact OE1-NZ 3.19Å; E824-K937 PolarHBondContact OE1-NZ 3.21Å; E824-K937 VanDerWaalsContact OE1-NZ 3.15Å; E824-K937 IonicContact OE2-NZ 3.95Å; E824-K937 PolarHBondContact OE2-NZ 3.1Å; V933-K937 WeakPolarHBondContact O-CB 3.47Å; V933-K937 PolarHBondContact O-N 3.15Å; V933-K937 VanDerWaalsContact O-N 3.12Å; I934-K937 WeakPolarHBondContact O-CB 3.35Å; I935-K937 PolarHBondContact O-N 3.14Å; K937-G947 WeakPolarHBondContact CE-O 3.12Å; K937-G947 PolarHBondContact NZ-O 2.79Å; K937-G947 VanDerWaalsContact NZ-O 3.1Å; K937-M948 HydrophobicContact CD-SD 3.81Å; K937-L953 HydrophobicContact CB-CD1 4.45Å; K937-L953 HydrophobicContact CD-CD1 4.25Å; K937-L953 HydrophobicContact CG-CD1 4.05Å
938	T	97.2	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.			trans	-133.9	124	-179.1	58.1	0	0	0	0	112.6	E827 I935 C936 N941 Q946 K1005	E827-T938 HydrophobicContact CG-CG2 4.39Å; E827-T938 WeakPolarHBondContact OE1-CA 3.33Å; I935-T938 PolarHBondContact O-N 2.71Å; I935-T938 VanDerWaalsContact O-N 3.12Å; C936-T938 PolarHBondContact O-N 3.37Å; C936-T938 VanDerWaalsContact O-N 3.14Å; T938-N941 VanDerWaalsContact CB-O 3.22Å; T938-N941 WeakPolarHBondContact CB-O 3.21Å; T938-N941 HydrophobicContact CG2-CB 4.19Å; T938-N941 PolarHBondContact OG1-O 3.18Å; T938-Q946 HydrophobicContact CG2-CB 3.68Å; T938-Q946 HydrophobicContact CG2-CG 3.84Å; T938-K1005 WeakPolarHBondContact O-CD 3.23Å; T938-K1005 PolarHBondContact O-NZ 3.25Å; T938-K1005 PolarHBondContact OG1-NZ 2.93Å; T938-K1005 VanDerWaalsContact OG1-NZ 3.07Å
939	R	96.4	Very high	96.5	Very high	17 Å²	17	38.9 Å²	38.9	6%	0.064	18%	0.182	C	C	.	.	S	Bend	trans	-81.8	-30.3	179.1	-77.6	164.5	56	-140.2	1.5	113.1	D769 K773 E827 Y1021 Y1022	D769-R939 IonicContact OD1-CZ 3.85Å; D769-R939 IonicContact OD1-NH1 2.71Å; D769-R939 PolarHBondContact OD1-NH1 2.96Å; D769-R939 IonicContact OD1-NH2 3.45Å; K773-R939 HydrophobicContact CG-CG 4.22Å; E827-R939 VanDerWaalsContact CD-N 3.34Å; E827-R939 PolarHBondContact OE1-N 3.34Å; E827-R939 PolarHBondContact OE2-N 3.48Å; R939-Y1021 HydrophobicContact CB-CE2 3.95Å; R939-Y1022 HydrophobicContact CG-CD2 4.21Å; R939-Y1022 HydrophobicContact CG-CE2 3.57Å; R939-Y1022 PolarHBondContact NE-O 3.01Å; R939-Y1022 PolarHBondContact NH2-O 3.29Å
940	R	95.7	Very high	96.4	Very high	58 Å²	58	39.7 Å²	39.7	22%	0.219	19%	0.186	C	C	.	.	S	Bend	trans	-127.8	-40.9	179.9	-169.2	-178.8	-172.2	92.6	6.4	112.9	E827 I1008 R1009 E1017 Y1021	E827-R940 PolarHBondContact OE2-N 3.47Å; R940-I1008 HydrophobicContact CG-CG2 4.17Å; R940-I1008 PolarHBondContact NH2-O 3.29Å; R940-I1008 VanDerWaalsContact NH2-O 3.11Å; R940-R1009 HydrophobicContact CG-CG 4.25Å; R940-R1009 WeakPolarHBondContact O-CD 3.33Å; R940-R1009 PolarHBondContact O-NH1 3Å; R940-E1017 IonicContact CZ-OE1 2.76Å; R940-E1017 IonicContact NH1-OE1 3.33Å; R940-E1017 PolarHBondContact NH1-OE1 3.47Å; R940-E1017 IonicContact NH1-OE2 2.78Å; R940-E1017 IonicContact NH2-OE2 3.63Å; R940-Y1021 HydrophobicContact CB-CE2 3.89Å
941	N	96.6	Very high	96.3	Very high	33 Å²	33	45.4 Å²	45.4	18%	0.176	21%	0.213	C	C	.	.	S	Bend	trans	-72.3	155.2	-175.6	-75.9	-0.6	0	0	0	111.9	E827 T938 Q946 K1005 R1009	E827-N941 HydrophobicContact CB-CB 4.49Å; E827-N941 HydrophobicContact CG-CB 4.26Å; E827-N941 PolarHBondContact O-ND2 2.95Å; E827-N941 PolarHBondContact OE2-N 3.45Å; T938-N941 VanDerWaalsContact CB-O 3.22Å; T938-N941 WeakPolarHBondContact CB-O 3.21Å; T938-N941 HydrophobicContact CG2-CB 4.19Å; T938-N941 PolarHBondContact OG1-O 3.18Å; N941-Q946 PolarHBondContact ND2-OE1 3.22Å; N941-K1005 WeakPolarHBondContact O-CE 3.23Å; N941-R1009 VanDerWaalsContact C-NH1 3.27Å
942	S	97.3	Very high	96.3	Very high	10 Å²	10	48.3 Å²	48.3	7%	0.07	23%	0.227	C	C	.	.			trans	-70.8	147	170.2	-171.7	0	0	0	0	110.5	F944 Q945 Q946 E1002	S942-F944 PolarHBondContact O-N 3.1Å; S942-F944 PolarHBondContact OG-N 2.97Å; S942-Q945 PolarHBondContact O-N 2.68Å; S942-Q946 PolarHBondContact O-N 2.83Å; S942-E1002 VanDerWaalsContact CA-OE1 3.29Å; S942-E1002 WeakPolarHBondContact CA-OE1 3.48Å; S942-E1002 WeakPolarHBondContact CA-OE2 3.43Å; S942-E1002 WeakPolarHBondContact CB-OE1 3.4Å; S942-E1002 PolarHBondContact OG-OE1 3.05Å; S942-E1002 PolarHBondContact OG-OE2 3.03Å
943	V	95.7	Very high	96.2	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-34	168.4	-179.8	0	0	0	0	110.5	I934 Q945 G947 M948 F998 E1002	I934-V943 HydrophobicContact CG2-CG1 4.06Å; I934-V943 HydrophobicContact CG2-CG2 4.01Å; V943-Q945 VanDerWaalsContact C-N 3.35Å; V943-Q945 PolarHBondContact O-N 3.17Å; V943-G947 VanDerWaalsContact O-CA 3.3Å; V943-G947 WeakPolarHBondContact O-CA 3.39Å; V943-G947 PolarHBondContact O-N 3.45Å; V943-M948 HydrophobicContact CG1-CG 4.44Å; V943-M948 HydrophobicContact CG1-SD 4.28Å; V943-F998 HydrophobicContact CB-CE2 4.35Å; V943-F998 HydrophobicContact CG1-CE2 4.47Å; V943-F998 HydrophobicContact CG2-CE2 4.12Å; V943-E1002 PolarHBondContact N-OE2 3.36Å
944	F	95.2	Very high	96.2	Very high	162 Å²	162	51.2 Å²	51.2	71%	0.711	24%	0.242	S	C	*	.	H	α-helix	trans	-73.5	-21.8	176	-55.8	-70.1	0	0	0	114.1	S942 F998	S942-F944 PolarHBondContact O-N 3.1Å; S942-F944 PolarHBondContact OG-N 2.97Å; F944-F998 HydrophobicContact CE2-CZ 4.3Å; F944-F998 HydrophobicContact CZ-CE1 4.45Å; F944-F998 HydrophobicContact CZ-CZ 4.09Å
945	Q	93.6	Very high	96.2	Very high	122 Å²	122	55.2 Å²	55.2	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-84.1	-46.2	175.8	-73.6	168.5	-30.1	0	0	111.3	S942 V943	S942-Q945 PolarHBondContact O-N 2.68Å; V943-Q945 VanDerWaalsContact C-N 3.35Å; V943-Q945 PolarHBondContact O-N 3.17Å
946	Q	94.3	Very high	96.1	Very high	32 Å²	32	55 Å²	55	15%	0.15	26%	0.257	C	S	.	.	H	α-helix	trans	-76.8	-39.4	-178.8	-159.1	73.4	5.1	0	0	111.8	A825 A826 T938 N941 S942	A825-Q946 PolarHBondContact O-NE2 3.22Å; A826-Q946 PolarHBondContact O-NE2 3.29Å; T938-Q946 HydrophobicContact CG2-CB 3.68Å; T938-Q946 HydrophobicContact CG2-CG 3.84Å; N941-Q946 PolarHBondContact ND2-OE1 3.22Å; S942-Q946 PolarHBondContact O-N 2.83Å
947	G	94.6	Very high	96.1	Very high	19 Å²	19	56.2 Å²	56.2	20%	0.196	26%	0.263	C	S	.	.			trans	76.8	155.3	-177.2	0	0	0	0	0	114.5	K937 V943 K949	K937-G947 WeakPolarHBondContact CE-O 3.12Å; K937-G947 PolarHBondContact NZ-O 2.79Å; K937-G947 VanDerWaalsContact NZ-O 3.1Å; V943-G947 VanDerWaalsContact O-CA 3.3Å; V943-G947 WeakPolarHBondContact O-CA 3.39Å; V943-G947 PolarHBondContact O-N 3.45Å; G947-K949 PolarHBondContact O-N 3.32Å
948	M	95.5	Very high	96.1	Very high	73 Å²	73	63 Å²	63	36%	0.36	29%	0.293	S	S	.	.	S	Bend	trans	-81.2	67	174.7	-65.9	-61.7	-78.1	0	0	111	I934 K937 V943 L953 I954 L957	I934-M948 HydrophobicContact CD1-CE 4.26Å; I934-M948 HydrophobicContact CG1-CE 3.88Å; K937-M948 HydrophobicContact CD-SD 3.81Å; V943-M948 HydrophobicContact CG1-CG 4.44Å; V943-M948 HydrophobicContact CG1-SD 4.28Å; M948-L953 HydrophobicContact CE-CD2 3.7Å; M948-I954 HydrophobicContact CB-CD1 4.45Å; M948-I954 HydrophobicContact CE-CG1 4.45Å; M948-L957 HydrophobicContact CE-CD1 4.46Å
949	K	94.5	Very high	96.1	Very high	168 Å²	168	65.8 Å²	65.8	73%	0.73	31%	0.306	S	S	*	.			trans	-96.2	-16.2	-179.3	-64.3	174.8	-176.2	165.6	0	113.9	G947 K951	G947-K949 PolarHBondContact O-N 3.32Å; K949-K951 PolarHBondContact O-N 3.08Å; K949-K951 VanDerWaalsContact O-N 3.13Å
950	N	96.4	Very high	96.1	Very high	17 Å²	17	65 Å²	65	9%	0.091	30%	0.303	C	S	.	.			trans	-75	101.2	-179.6	-178	-8.5	0	0	0	110.2	S820 E824 I952 L953 I954	S820-N950 PolarHBondContact O-ND2 3.09Å; E824-N950 WeakPolarHBondContact OE1-CB 3.31Å; E824-N950 PolarHBondContact OE1-ND2 2.8Å; N950-I952 VanDerWaalsContact C-N 3.27Å; N950-I952 PolarHBondContact O-N 3.49Å; N950-I952 PolarHBondContact OD1-N 3.25Å; N950-I952 VanDerWaalsContact OD1-N 3.1Å; N950-L953 HydrophobicContact CB-CB 4Å; N950-L953 PolarHBondContact O-N 2.89Å; N950-L953 PolarHBondContact OD1-N 3.23Å; N950-I954 WeakPolarHBondContact O-CG1 3.47Å; N950-I954 PolarHBondContact O-N 3.42Å; N950-I954 VanDerWaalsContact O-N 3.17Å
951	K	96.7	Very high	96.2	Very high	176 Å²	176	64.2 Å²	64.2	77%	0.765	31%	0.305	S	S	*	.	H	α-helix	trans	-66	-28.7	-178.4	-61.7	-175.7	-179.4	-177.4	0	113	K949 F955	K949-K951 PolarHBondContact O-N 3.08Å; K949-K951 VanDerWaalsContact O-N 3.13Å; K951-F955 WeakPolarHBondContact O-CB 3.26Å; K951-F955 PolarHBondContact O-N 3.38Å
952	I	96.8	Very high	96.2	Very high	66 Å²	66	65.5 Å²	65.5	34%	0.338	32%	0.32	S	S	.	.	H	α-helix	trans	-73.4	-37.6	179.7	-50.8	-56.5	0	0	0	109.9	Y823 N950 F955 G956	Y823-I952 HydrophobicContact CD1-CG1 4.19Å; Y823-I952 HydrophobicContact CD2-CB 4.01Å; Y823-I952 HydrophobicContact CD2-CG1 3.88Å; Y823-I952 HydrophobicContact CD2-CG2 3.97Å; Y823-I952 HydrophobicContact CE1-CG1 4.34Å; Y823-I952 HydrophobicContact CE2-CB 4.38Å; Y823-I952 HydrophobicContact CE2-CG1 4.02Å; Y823-I952 HydrophobicContact CE2-CG2 4.04Å; Y823-I952 HydrophobicContact CG-CB 4.34Å; Y823-I952 HydrophobicContact CG-CG1 3.95Å; N950-I952 VanDerWaalsContact C-N 3.27Å; N950-I952 PolarHBondContact O-N 3.49Å; N950-I952 PolarHBondContact OD1-N 3.25Å; N950-I952 VanDerWaalsContact OD1-N 3.1Å; I952-F955 PolarHBondContact O-N 3.25Å; I952-G956 PolarHBondContact O-N 3Å
953	L	97.1	Very high	96.2	Very high	2 Å²	2	67 Å²	67	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-67.5	-43.3	175.4	-173.5	161.8	0	0	0	111.7	S820 L821 V933 K937 M948 N950 F955 G956 L957	S820-L953 VanDerWaalsContact CB-CA 3.49Å; S820-L953 VanDerWaalsContact OG-CA 3.3Å; S820-L953 WeakPolarHBondContact OG-CA 3.4Å; S820-L953 WeakPolarHBondContact OG-CB 3.05Å; L821-L953 HydrophobicContact CD2-CD1 3.97Å; V933-L953 HydrophobicContact CG2-CD1 4.05Å; V933-L953 HydrophobicContact CG2-CD2 4.5Å; V933-L953 HydrophobicContact CG2-CG 4.01Å; K937-L953 HydrophobicContact CB-CD1 4.45Å; K937-L953 HydrophobicContact CD-CD1 4.25Å; K937-L953 HydrophobicContact CG-CD1 4.05Å; M948-L953 HydrophobicContact CE-CD2 3.7Å; N950-L953 HydrophobicContact CB-CB 4Å; N950-L953 PolarHBondContact O-N 2.89Å; N950-L953 PolarHBondContact OD1-N 3.23Å; L953-F955 VanDerWaalsContact C-N 3.32Å; L953-F955 PolarHBondContact O-N 3.37Å; L953-G956 PolarHBondContact O-N 3.11Å; L953-L957 HydrophobicContact CD2-CD1 3.92Å; L953-L957 HydrophobicContact CD2-CG 4.42Å; L953-L957 PolarHBondContact O-N 3.24Å
954	I	97.1	Very high	96.3	Very high	59 Å²	59	66.5 Å²	66.5	30%	0.303	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-42.1	174.1	-64.8	166.9	0	0	0	110.9	M948 N950 F958	M948-I954 HydrophobicContact CB-CD1 4.45Å; M948-I954 HydrophobicContact CE-CG1 4.45Å; N950-I954 WeakPolarHBondContact O-CG1 3.47Å; N950-I954 PolarHBondContact O-N 3.42Å; N950-I954 VanDerWaalsContact O-N 3.17Å; I954-F958 HydrophobicContact CG2-CD2 4.05Å; I954-F958 HydrophobicContact CG2-CE2 3.82Å; I954-F958 WeakPolarHBondContact O-CD2 3.32Å; I954-F958 PolarHBondContact O-N 3.39Å
955	F	97.3	Very high	96.3	Very high	122 Å²	122	60.2 Å²	60.2	54%	0.535	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-43.5	173.5	172.8	-96.9	0	0	0	111.9	V816 K951 I952 L953 L957 F958 E959	V816-F955 HydrophobicContact CG1-CD1 4.33Å; V816-F955 HydrophobicContact CG1-CE1 4.38Å; K951-F955 WeakPolarHBondContact O-CB 3.26Å; K951-F955 PolarHBondContact O-N 3.38Å; I952-F955 PolarHBondContact O-N 3.25Å; L953-F955 VanDerWaalsContact C-N 3.32Å; L953-F955 PolarHBondContact O-N 3.37Å; F955-L957 PolarHBondContact O-N 3.33Å; F955-F958 PolarHBondContact O-N 2.68Å; F955-E959 HydrophobicContact CE1-CB 4.13Å; F955-E959 HydrophobicContact CE1-CG 4.22Å; F955-E959 HydrophobicContact CZ-CB 4.16Å; F955-E959 HydrophobicContact CZ-CG 4.14Å; F955-E959 WeakPolarHBondContact O-CB 3.34Å; F955-E959 PolarHBondContact O-N 3.09Å
956	G	96.1	Very high	96.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-54.2	-51.6	175.6	0	0	0	0	0	112.2	I952 L953 F958 E959 E960	I952-G956 PolarHBondContact O-N 3Å; L953-G956 PolarHBondContact O-N 3.11Å; G956-F958 VanDerWaalsContact C-N 3.29Å; G956-F958 PolarHBondContact O-N 3.37Å; G956-E959 PolarHBondContact O-N 3.1Å; G956-E959 VanDerWaalsContact O-N 3.09Å; G956-E960 WeakPolarHBondContact O-CB 3.26Å; G956-E960 PolarHBondContact O-N 3.34Å
957	L	96.6	Very high	96.5	Very high	29 Å²	29	59.6 Å²	59.6	15%	0.152	30%	0.298	C	S	.	.	H	α-helix	trans	-54.7	-40.7	176.5	-74.7	168.2	0	0	0	113.5	W930 V933 I934 M948 L953 F955 T961	W930-L957 HydrophobicContact CB-CD2 3.97Å; W930-L957 HydrophobicContact CG-CD2 4.06Å; V933-L957 HydrophobicContact CG1-CD2 3.56Å; V933-L957 HydrophobicContact CG1-CG 4.14Å; I934-L957 HydrophobicContact CD1-CD1 4.42Å; I934-L957 HydrophobicContact CG1-CD1 4.47Å; M948-L957 HydrophobicContact CE-CD1 4.46Å; L953-L957 HydrophobicContact CD2-CD1 3.92Å; L953-L957 HydrophobicContact CD2-CG 4.42Å; L953-L957 PolarHBondContact O-N 3.24Å; F955-L957 PolarHBondContact O-N 3.33Å; L957-T961 WeakPolarHBondContact O-CB 3.12Å; L957-T961 PolarHBondContact O-N 2.93Å; L957-T961 PolarHBondContact O-OG1 3.03Å
958	F	97.4	Very high	96.6	Very high	148 Å²	148	58.8 Å²	58.8	65%	0.649	29%	0.289	S	S	*	.	H	α-helix	trans	-72.2	-38.4	177.3	-79.4	-66.3	0	0	0	112.5	I954 F955 G956 A962	I954-F958 HydrophobicContact CG2-CD2 4.05Å; I954-F958 HydrophobicContact CG2-CE2 3.82Å; I954-F958 WeakPolarHBondContact O-CD2 3.32Å; I954-F958 PolarHBondContact O-N 3.39Å; F955-F958 PolarHBondContact O-N 2.68Å; G956-F958 VanDerWaalsContact C-N 3.29Å; G956-F958 PolarHBondContact O-N 3.37Å; F958-A962 WeakPolarHBondContact O-CB 3.46Å; F958-A962 PolarHBondContact O-N 3.15Å
959	E	97.3	Very high	96.6	Very high	58 Å²	58	60.1 Å²	60.1	27%	0.271	29%	0.291	S	S	.	.	H	α-helix	trans	-72.2	-46.9	-179.1	-170.1	-84.5	157.6	0	0	111.3	V816 F955 G956 T961 A962 L963	V816-E959 WeakPolarHBondContact CB-OE2 3.2Å; V816-E959 VanDerWaalsContact CG2-OE2 3.25Å; V816-E959 WeakPolarHBondContact CG2-OE2 3.11Å; F955-E959 HydrophobicContact CE1-CB 4.13Å; F955-E959 HydrophobicContact CE1-CG 4.22Å; F955-E959 HydrophobicContact CZ-CB 4.16Å; F955-E959 HydrophobicContact CZ-CG 4.14Å; F955-E959 WeakPolarHBondContact O-CB 3.34Å; F955-E959 PolarHBondContact O-N 3.09Å; G956-E959 PolarHBondContact O-N 3.1Å; G956-E959 VanDerWaalsContact O-N 3.09Å; E959-T961 PolarHBondContact O-N 3.41Å; E959-A962 PolarHBondContact O-N 3.18Å; E959-L963 VanDerWaalsContact O-CB 3.29Å; E959-L963 WeakPolarHBondContact O-CB 3.26Å; E959-L963 PolarHBondContact O-N 3.4Å
960	E	97.3	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-49.8	-52.4	169.7	-177.2	-164.6	-179.6	0	0	111.5	P817 V926 Q929 G956 L963 A964	P817-E960 HydrophobicContact CG-CB 4.06Å; P817-E960 HydrophobicContact CG-CG 4.11Å; V926-E960 HydrophobicContact CG1-CG 3.98Å; Q929-E960 WeakPolarHBondContact CB-OE1 3.2Å; G956-E960 WeakPolarHBondContact O-CB 3.26Å; G956-E960 PolarHBondContact O-N 3.34Å; E960-L963 PolarHBondContact O-N 3.49Å; E960-A964 WeakPolarHBondContact O-CB 3.37Å; E960-A964 PolarHBondContact O-N 2.86Å
961	T	96.8	Very high	96.6	Very high	41 Å²	41	59.2 Å²	59.2	25%	0.252	30%	0.304	S	S	.	.	H	α-helix	trans	-65	-42	178.6	-57.1	0	0	0	0	112.2	W930 L957 E959 A965 W987	W930-T961 HydrophobicContact CZ2-CG2 3.76Å; W930-T961 VanDerWaalsContact CZ2-OG1 3.29Å; W930-T961 WeakPolarHBondContact CZ2-OG1 3.3Å; W930-T961 PolarHBondContact NE1-OG1 3.43Å; L957-T961 WeakPolarHBondContact O-CB 3.12Å; L957-T961 PolarHBondContact O-N 2.93Å; L957-T961 PolarHBondContact O-OG1 3.03Å; E959-T961 PolarHBondContact O-N 3.41Å; T961-A965 WeakPolarHBondContact O-CB 3.46Å; T961-A965 PolarHBondContact O-N 2.85Å; T961-W987 HydrophobicContact CG2-CZ3 4.43Å
962	A	97.4	Very high	96.3	Very high	60 Å²	60	52.7 Å²	52.7	50%	0.496	29%	0.287	S	S	.	.	H	α-helix	trans	-68.7	-36.2	179.3	0	0	0	0	0	111.9	F958 E959 F966	F958-A962 WeakPolarHBondContact O-CB 3.46Å; F958-A962 PolarHBondContact O-N 3.15Å; E959-A962 PolarHBondContact O-N 3.18Å; A962-F966 VanDerWaalsContact O-CB 3.29Å; A962-F966 WeakPolarHBondContact O-CB 3.27Å; A962-F966 PolarHBondContact O-N 3.49Å
963	L	97.1	Very high	96	Very high	43 Å²	43	51.2 Å²	51.2	23%	0.225	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-48.2	174.3	-178.7	60.9	0	0	0	110.5	T813 E959 E960 A965 F966 L967	T813-L963 HydrophobicContact CG2-CD2 4.29Å; E959-L963 VanDerWaalsContact O-CB 3.29Å; E959-L963 WeakPolarHBondContact O-CB 3.26Å; E959-L963 PolarHBondContact O-N 3.4Å; E960-L963 PolarHBondContact O-N 3.49Å; L963-A965 VanDerWaalsContact C-N 3.31Å; L963-A965 PolarHBondContact O-N 3.3Å; L963-F966 WeakPolarHBondContact O-CB 3.46Å; L963-F966 PolarHBondContact O-N 3.5Å; L963-F966 VanDerWaalsContact O-N 3.15Å; L963-L967 HydrophobicContact CD1-CD1 4.23Å; L963-L967 HydrophobicContact CD1-CG 4.14Å; L963-L967 HydrophobicContact CG-CD1 4.06Å; L963-L967 HydrophobicContact CG-CG 4.37Å; L963-L967 WeakPolarHBondContact O-CB 3.41Å; L963-L967 VanDerWaalsContact O-CG 3.26Å; L963-L967 WeakPolarHBondContact O-CG 3.45Å; L963-L967 PolarHBondContact O-N 3.38Å
964	A	96.5	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-41.3	175.9	0	0	0	0	0	112.4	T813 F922 V926 E960 L967 S968 W987	T813-A964 HydrophobicContact CG2-CB 4.45Å; F922-A964 HydrophobicContact CE1-CB 3.94Å; F922-A964 HydrophobicContact CZ-CB 4.14Å; V926-A964 HydrophobicContact CB-CB 4.47Å; V926-A964 HydrophobicContact CG1-CB 4.17Å; V926-A964 HydrophobicContact CG2-CB 4.05Å; E960-A964 WeakPolarHBondContact O-CB 3.37Å; E960-A964 PolarHBondContact O-N 2.86Å; A964-L967 PolarHBondContact O-N 3.04Å; A964-S968 PolarHBondContact O-N 2.98Å; A964-S968 VanDerWaalsContact O-N 3.12Å; A964-W987 HydrophobicContact CB-CH2 4.29Å
965	A	96.6	Very high	95.2	Very high	30 Å²	30	56.7 Å²	56.7	25%	0.248	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-42.1	174.3	0	0	0	0	0	112.3	T961 L963 L967 S968 Y969 W987	T961-A965 WeakPolarHBondContact O-CB 3.46Å; T961-A965 PolarHBondContact O-N 2.85Å; L963-A965 VanDerWaalsContact C-N 3.31Å; L963-A965 PolarHBondContact O-N 3.3Å; A965-L967 VanDerWaalsContact C-N 3.34Å; A965-L967 PolarHBondContact O-N 3.49Å; A965-S968 PolarHBondContact O-N 3.22Å; A965-Y969 HydrophobicContact CB-CD2 4.37Å; A965-Y969 WeakPolarHBondContact O-CB 3.28Å; A965-Y969 WeakPolarHBondContact O-CD2 3.14Å; A965-Y969 PolarHBondContact O-N 2.77Å; A965-W987 HydrophobicContact CB-CH2 3.95Å; A965-W987 HydrophobicContact CB-CZ2 4.09Å
966	F	97.1	Very high	94.5	Very high	121 Å²	121	53.6 Å²	53.6	53%	0.531	32%	0.315	S	S	.	.	H	α-helix	trans	-60.5	-44.6	174.5	176.6	-97.2	0	0	0	111.3	A962 L963 S968 Y969 C970 L973	A962-F966 VanDerWaalsContact O-CB 3.29Å; A962-F966 WeakPolarHBondContact O-CB 3.27Å; A962-F966 PolarHBondContact O-N 3.49Å; L963-F966 WeakPolarHBondContact O-CB 3.46Å; L963-F966 PolarHBondContact O-N 3.5Å; L963-F966 VanDerWaalsContact O-N 3.15Å; F966-S968 PolarHBondContact O-N 3.39Å; F966-Y969 PolarHBondContact O-N 2.94Å; F966-C970 HydrophobicContact CD2-CB 4.12Å; F966-C970 HydrophobicContact CE1-CB 4.34Å; F966-C970 HydrophobicContact CE2-CB 3.88Å; F966-C970 HydrophobicContact CG-CB 4.46Å; F966-C970 HydrophobicContact CZ-CB 3.99Å; F966-C970 WeakPolarHBondContact O-CB 3.08Å; F966-C970 PolarHBondContact O-N 2.9Å; F966-L973 HydrophobicContact CE1-CD1 4.31Å
967	L	95.3	Very high	94	Very high	19 Å²	19	55.8 Å²	55.8	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-65.7	-34.5	-178.8	-70.5	177	0	0	0	113.3	C808 F922 L963 A964 A965 L973 L977 M979	C808-L967 HydrophobicContact CB-CD1 4.39Å; F922-L967 HydrophobicContact CE1-CD1 4.44Å; F922-L967 HydrophobicContact CZ-CD1 3.94Å; L963-L967 HydrophobicContact CD1-CD1 4.23Å; L963-L967 HydrophobicContact CD1-CG 4.14Å; L963-L967 HydrophobicContact CG-CD1 4.06Å; L963-L967 HydrophobicContact CG-CG 4.37Å; L963-L967 WeakPolarHBondContact O-CB 3.41Å; L963-L967 VanDerWaalsContact O-CG 3.26Å; L963-L967 WeakPolarHBondContact O-CG 3.45Å; L963-L967 PolarHBondContact O-N 3.38Å; A964-L967 PolarHBondContact O-N 3.04Å; A965-L967 VanDerWaalsContact C-N 3.34Å; A965-L967 PolarHBondContact O-N 3.49Å; L967-L973 HydrophobicContact CD2-CD1 3.95Å; L967-L973 WeakPolarHBondContact O-CD1 3.41Å; L967-L977 HydrophobicContact CD2-CD1 3.82Å; L967-M979 HydrophobicContact CB-SD 3.61Å; L967-M979 WeakPolarHBondContact O-CB 3.12Å
968	S	95.4	Very high	93.8	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-79.6	-35.3	174.8	-179.5	0	0	0	0	113.9	A964 A965 F966 Y980 P981 L982	A964-S968 PolarHBondContact O-N 2.98Å; A964-S968 VanDerWaalsContact O-N 3.12Å; A965-S968 PolarHBondContact O-N 3.22Å; F966-S968 PolarHBondContact O-N 3.39Å; S968-Y980 CarbonylContact O-C 3.55Å; S968-Y980 PolarHBondContact OG-O 3.41Å; S968-P981 VanDerWaalsContact O-CA 3.28Å; S968-P981 WeakPolarHBondContact O-CA 3.29Å; S968-L982 PolarHBondContact OG-N 2.65Å
969	Y	96.3	Very high	93.6	Very high	101 Å²	101	51.4 Å²	51.4	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-107.1	-6.8	-169.6	-63	-61.2	0	0	0	115.9	A965 F966 P971 P981 L982 W987	A965-Y969 HydrophobicContact CB-CD2 4.37Å; A965-Y969 WeakPolarHBondContact O-CB 3.28Å; A965-Y969 WeakPolarHBondContact O-CD2 3.14Å; A965-Y969 PolarHBondContact O-N 2.77Å; F966-Y969 PolarHBondContact O-N 2.94Å; Y969-P971 WeakPolarHBondContact O-CD 3.38Å; Y969-P981 HydrophobicContact CD1-CB 3.72Å; Y969-P981 HydrophobicContact CE1-CB 3.94Å; Y969-L982 VanDerWaalsContact CE1-O 3.3Å; Y969-L982 WeakPolarHBondContact CE1-O 3.39Å; Y969-L982 PolarHBondContact OH-O 3.11Å; Y969-W987 AromaticContact CE2-CZ2 3.99Å; Y969-W987 HydrophobicContact CE2-CZ2 3.99Å; Y969-W987 AromaticContact CE2-NE1 3.75Å; Y969-W987 AromaticContact CZ-NE1 3.73Å; Y969-W987 PolarHBondContact OH-NE1 3.37Å
970	C	95.8	Very high	93.4	Very high	41 Å²	41	50.9 Å²	50.9	28%	0.277	30%	0.3	S	S	.	.	S	Bend	trans	-75.9	123.8	178.1	-169.5	0	0	0	0	111.4	F966 G972 L973	F966-C970 HydrophobicContact CD2-CB 4.12Å; F966-C970 HydrophobicContact CE1-CB 4.34Å; F966-C970 HydrophobicContact CE2-CB 3.88Å; F966-C970 HydrophobicContact CG-CB 4.46Å; F966-C970 HydrophobicContact CZ-CB 3.99Å; F966-C970 WeakPolarHBondContact O-CB 3.08Å; F966-C970 PolarHBondContact O-N 2.9Å; C970-G972 PolarHBondContact O-N 3.42Å; C970-L973 HydrophobicContact CB-CD1 3.67Å; C970-L973 HydrophobicContact CB-CG 4.02Å; C970-L973 PolarHBondContact O-N 2.99Å
971	P	93.9	Very high	93.4	Very high	125 Å²	125	54.8 Å²	54.8	81%	0.812	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	130.2	179.7	-24.3	34.4	0	0	0	112.9	Y969	Y969-P971 WeakPolarHBondContact O-CD 3.38Å
972	G	90.7	Very high	93.3	Very high	39 Å²	39	53.1 Å²	53.1	40%	0.402	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.6	-11.7	180	0	0	0	0	0	114.6	C970 D974 V975 G976	C970-G972 PolarHBondContact O-N 3.42Å; G972-D974 VanDerWaalsContact C-N 3.28Å; G972-D974 VanDerWaalsContact C-OD1 3.29Å; G972-D974 WeakPolarHBondContact CA-OD1 3.22Å; G972-D974 PolarHBondContact N-OD1 3.06Å; G972-V975 PolarHBondContact O-N 2.7Å; G972-G976 PolarHBondContact O-N 3.38Å
973	L	91.6	Very high	93.2	Very high	35 Å²	35	54.2 Å²	54.2	18%	0.183	31%	0.308	C	S	.	.	H	α-helix	trans	-76.6	-17.2	172.4	-61.8	-173	0	0	0	113	F966 L967 C970 V975 L977 R978 M979	F966-L973 HydrophobicContact CE1-CD1 4.31Å; L967-L973 HydrophobicContact CD2-CD1 3.95Å; L967-L973 WeakPolarHBondContact O-CD1 3.41Å; C970-L973 HydrophobicContact CB-CD1 3.67Å; C970-L973 HydrophobicContact CB-CG 4.02Å; C970-L973 PolarHBondContact O-N 2.99Å; L973-V975 PolarHBondContact O-N 3.46Å; L973-L977 HydrophobicContact CD2-CD1 4.17Å; L973-L977 HydrophobicContact CD2-CG 4.45Å; L973-L977 CarbonylContact O-C 3.6Å; L973-L977 WeakPolarHBondContact O-CA 3.5Å; L973-L977 PolarHBondContact O-N 2.76Å; L973-R978 PolarHBondContact O-N 3.32Å; L973-M979 CarbonylContact C-O 3.47Å; L973-M979 PolarHBondContact O-N 3.45Å; L973-M979 VanDerWaalsContact O-N 3.1Å
974	D	90.3	Very high	93	Very high	58 Å²	58	56.9 Å²	56.9	31%	0.31	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-30.9	165.7	58.1	-54.9	0	0	0	112.1	G972 R978 M979 Y980	G972-D974 VanDerWaalsContact C-N 3.28Å; G972-D974 VanDerWaalsContact C-OD1 3.29Å; G972-D974 WeakPolarHBondContact CA-OD1 3.22Å; G972-D974 PolarHBondContact N-OD1 3.06Å; D974-R978 WeakPolarHBondContact O-CA 3.33Å; D974-M979 WeakPolarHBondContact CA-O 3.32Å; D974-M979 PolarHBondContact N-O 3.32Å; D974-M979 VanDerWaalsContact N-O 3.16Å; D974-Y980 HydrophobicContact CB-CD1 4.33Å; D974-Y980 HydrophobicContact CB-CE1 4.16Å; D974-Y980 HydrophobicContact CB-CE2 4.4Å
975	V	86.3	Confident	93	Very high	118 Å²	118	60.9 Å²	60.9	72%	0.715	35%	0.353	S	S	*	.	H	α-helix	trans	-92.1	-44.6	173.1	-176.8	0	0	0	0	111.5	G972 L973	G972-V975 PolarHBondContact O-N 2.7Å; L973-V975 PolarHBondContact O-N 3.46Å
976	G	82.5	Confident	92.9	Very high	56 Å²	56	60 Å²	60	58%	0.577	34%	0.343	S	S	*	.	H	α-helix	trans	-75.1	-37	-172.6	0	0	0	0	0	115.3	G972	G972-G976 PolarHBondContact O-N 3.38Å
977	L	87	Confident	92.9	Very high	47 Å²	47	56 Å²	56	25%	0.246	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-1.5	-177.4	-63.4	177.1	0	0	0	113.2	I804 L967 L973 M979	I804-L977 HydrophobicContact CG2-CB 4.29Å; I804-L977 HydrophobicContact CG2-CD2 3.87Å; L967-L977 HydrophobicContact CD2-CD1 3.82Å; L973-L977 HydrophobicContact CD2-CD1 4.17Å; L973-L977 HydrophobicContact CD2-CG 4.45Å; L973-L977 CarbonylContact O-C 3.6Å; L973-L977 WeakPolarHBondContact O-CA 3.5Å; L973-L977 PolarHBondContact O-N 2.76Å; L977-M979 HydrophobicContact CB-CG 4.29Å; L977-M979 PolarHBondContact O-N 3.31Å
978	R	90.7	Very high	92.9	Very high	82 Å²	82	61.8 Å²	61.8	31%	0.309	35%	0.349	S	S	.	.			trans	56.5	34.8	-170.5	-57.2	-178.7	-179.5	157.5	7.3	113	D127 F915 L973 D974	D127-R978 IonicContact OD1-CZ 2.69Å; D127-R978 IonicContact OD1-NH1 3.05Å; D127-R978 IonicContact OD1-NH2 3.03Å; D127-R978 PolarHBondContact OD1-NH2 3.48Å; D127-R978 IonicContact OD2-CZ 3.68Å; D127-R978 IonicContact OD2-NH1 3.95Å; D127-R978 PolarHBondContact OD2-NH1 3.29Å; D127-R978 IonicContact OD2-NH2 2.71Å; D127-R978 PolarHBondContact OD2-NH2 2.96Å; F915-R978 HydrophobicContact CB-CB 4.4Å; F915-R978 HydrophobicContact CD1-CB 4.29Å; F915-R978 HydrophobicContact CD2-CB 4.27Å; F915-R978 HydrophobicContact CD2-CG 4.48Å; F915-R978 HydrophobicContact CE2-CG 4.47Å; F915-R978 HydrophobicContact CG-CB 4.07Å; L973-R978 PolarHBondContact O-N 3.32Å; D974-R978 WeakPolarHBondContact O-CA 3.33Å
979	M	93.1	Very high	92.9	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	35%	0.352	C	S	.	.			trans	-98.5	124.2	174.4	-74.2	-165.5	175	0	0	111.4	T805 C808 T919 F922 L967 L973 D974 L977	T805-M979 HydrophobicContact CG2-CE 3.72Å; T805-M979 HydrophobicContact CG2-CG 4.45Å; C808-M979 HydrophobicContact CB-CE 3.78Å; T919-M979 HydrophobicContact CG2-CB 4.09Å; T919-M979 HydrophobicContact CG2-CG 4.23Å; T919-M979 WeakPolarHBondContact OG1-CA 3.48Å; F922-M979 HydrophobicContact CD1-CE 3.71Å; F922-M979 HydrophobicContact CD1-SD 4.27Å; F922-M979 HydrophobicContact CD2-CE 4.02Å; F922-M979 HydrophobicContact CE1-CE 3.83Å; F922-M979 HydrophobicContact CE1-SD 4.21Å; F922-M979 HydrophobicContact CE2-CE 4.14Å; F922-M979 HydrophobicContact CG-CE 3.82Å; F922-M979 HydrophobicContact CZ-CE 4.06Å; L967-M979 HydrophobicContact CB-SD 3.61Å; L967-M979 WeakPolarHBondContact O-CB 3.12Å; L973-M979 CarbonylContact C-O 3.47Å; L973-M979 PolarHBondContact O-N 3.45Å; L973-M979 VanDerWaalsContact O-N 3.1Å; D974-M979 WeakPolarHBondContact CA-O 3.32Å; D974-M979 PolarHBondContact N-O 3.32Å; D974-M979 VanDerWaalsContact N-O 3.16Å; L977-M979 HydrophobicContact CB-CG 4.29Å; L977-M979 PolarHBondContact O-N 3.31Å
980	Y	94.7	Very high	92.9	Very high	47 Å²	47	57.5 Å²	57.5	18%	0.184	33%	0.334	C	S	.	.			trans	-107.8	150.9	-174.5	-77.7	-99.9	0	0	0	112.1	I912 F915 T916 T919 S968 D974 L982	I912-Y980 HydrophobicContact CB-CE1 4.41Å; I912-Y980 HydrophobicContact CG1-CE1 4.09Å; I912-Y980 HydrophobicContact CG2-CD1 4.07Å; I912-Y980 HydrophobicContact CG2-CE1 3.85Å; F915-Y980 HydrophobicContact CB-CD2 3.5Å; F915-Y980 VanDerWaalsContact CB-CD2 3.5Å; F915-Y980 HydrophobicContact CB-CE2 3.44Å; F915-Y980 VanDerWaalsContact CB-CE2 3.44Å; F915-Y980 AromaticContact CD2-CE2 3.84Å; F915-Y980 HydrophobicContact CD2-CE2 3.84Å; F915-Y980 HydrophobicContact CG-CE2 4.11Å; T916-Y980 WeakPolarHBondContact OG1-CB 3.2Å; T919-Y980 WeakPolarHBondContact CG2-O 3.37Å; T919-Y980 PolarHBondContact OG1-N 2.75Å; S968-Y980 CarbonylContact O-C 3.55Å; S968-Y980 PolarHBondContact OG-O 3.41Å; D974-Y980 HydrophobicContact CB-CD1 4.33Å; D974-Y980 HydrophobicContact CB-CE1 4.16Å; D974-Y980 HydrophobicContact CB-CE2 4.4Å; Y980-L982 PolarHBondContact O-N 3.47Å
981	P	95.8	Very high	93	Very high	82 Å²	82	60.6 Å²	60.6	53%	0.532	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68.1	121.7	-178.2	27.1	-34.8	0	0	0	111.8	S968 Y969	S968-P981 VanDerWaalsContact O-CA 3.28Å; S968-P981 WeakPolarHBondContact O-CA 3.29Å; Y969-P981 HydrophobicContact CD1-CB 3.72Å; Y969-P981 HydrophobicContact CE1-CB 3.94Å
982	L	95.6	Very high	93.2	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.031	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-79.9	145.6	-179.1	-59.9	-178.6	0	0	0	113	T916 T919 A920 V923 S968 Y969 Y980 W986	T916-L982 HydrophobicContact CG2-CD2 4.16Å; T919-L982 HydrophobicContact CG2-CD1 4.48Å; T919-L982 HydrophobicContact CG2-CD2 4.23Å; T919-L982 HydrophobicContact CG2-CG 4.25Å; A920-L982 HydrophobicContact CB-CD1 4.22Å; A920-L982 HydrophobicContact CB-CD2 3.76Å; V923-L982 HydrophobicContact CB-CD1 3.8Å; V923-L982 HydrophobicContact CG1-CD1 4.14Å; V923-L982 HydrophobicContact CG2-CD1 3.63Å; S968-L982 PolarHBondContact OG-N 2.65Å; Y969-L982 VanDerWaalsContact CE1-O 3.3Å; Y969-L982 WeakPolarHBondContact CE1-O 3.39Å; Y969-L982 PolarHBondContact OH-O 3.11Å; Y980-L982 PolarHBondContact O-N 3.47Å; L982-W986 HydrophobicContact CB-CE3 4.01Å; L982-W986 HydrophobicContact CD2-CE3 3.83Å; L982-W986 HydrophobicContact CD2-CZ3 4.27Å
983	K	94.7	Very high	93.5	Very high	83 Å²	83	59.3 Å²	59.3	36%	0.361	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-63.1	145.3	164.7	-60.4	-178.7	-161.4	161.9	0	109.8	E874 T985 W986	E874-K983 IonicContact OE2-NZ 2.66Å; E874-K983 PolarHBondContact OE2-NZ 3.35Å; K983-T985 PolarHBondContact O-N 3.25Å; K983-T985 VanDerWaalsContact O-N 3.1Å; K983-W986 HydrophobicContact CB-CD2 3.72Å; K983-W986 HydrophobicContact CB-CE3 3.88Å; K983-W986 HydrophobicContact CB-CG 4.17Å; K983-W986 HydrophobicContact CB-CZ2 4.4Å; K983-W986 HydrophobicContact CB-CZ3 4.26Å; K983-W986 HydrophobicContact CD-CD2 4.27Å; K983-W986 HydrophobicContact CD-CH2 3.91Å; K983-W986 HydrophobicContact CD-CZ2 3.45Å; K983-W986 VanDerWaalsContact CD-CZ2 3.45Å; K983-W986 HydrophobicContact CD-CZ3 4.44Å; K983-W986 HydrophobicContact CG-CD2 4.02Å; K983-W986 HydrophobicContact CG-CE3 4Å; K983-W986 HydrophobicContact CG-CH2 3.78Å; K983-W986 HydrophobicContact CG-CZ2 3.79Å; K983-W986 HydrophobicContact CG-CZ3 3.85Å; K983-W986 PolarHBondContact O-N 2.92Å
984	P	94	Very high	93.9	Very high	99 Å²	99	58.1 Å²	58.1	64%	0.643	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.7	179	-27.8	35.6	0	0	0	114.9	W986 F988	P984-W986 VanDerWaalsContact C-N 3.35Å; P984-F988 WeakPolarHBondContact O-CD2 3.29Å; P984-F988 VanDerWaalsContact O-CE2 3.27Å; P984-F988 WeakPolarHBondContact O-CE2 3.22Å
985	T	95.1	Very high	94.2	Very high	84 Å²	84	61.8 Å²	61.8	52%	0.515	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.4	176.8	44	0	0	0	0	112.9	K983 W987 F988	K983-T985 PolarHBondContact O-N 3.25Å; K983-T985 VanDerWaalsContact O-N 3.1Å; T985-W987 VanDerWaalsContact C-N 3.32Å; T985-W987 PolarHBondContact O-N 2.94Å; T985-F988 PolarHBondContact O-N 3.4Å; T985-F988 VanDerWaalsContact O-N 3.11Å
986	W	95.8	Very high	94.8	Very high	11 Å²	11	60.3 Å²	60.3	4%	0.042	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-71	-26.5	-172.5	-59.1	-24	0	0	0	113.2	I871 E874 T916 L982 K983 P984 F988 C989	I871-W986 HydrophobicContact CD1-CB 4.22Å; I871-W986 HydrophobicContact CD1-CD2 3.73Å; I871-W986 HydrophobicContact CD1-CE3 3.94Å; I871-W986 HydrophobicContact CD1-CG 3.89Å; I871-W986 HydrophobicContact CG1-CD2 3.76Å; I871-W986 HydrophobicContact CG1-CE3 4.34Å; I871-W986 HydrophobicContact CG1-CG 3.9Å; I871-W986 HydrophobicContact CG1-CZ2 4.08Å; I871-W986 HydrophobicContact CG2-CH2 4.12Å; I871-W986 HydrophobicContact CG2-CZ2 4.01Å; E874-W986 PolarHBondContact OE1-NE1 3.14Å; E874-W986 PolarHBondContact OE2-NE1 2.7Å; T916-W986 HydrophobicContact CG2-CE3 4.22Å; T916-W986 HydrophobicContact CG2-CH2 3.82Å; T916-W986 HydrophobicContact CG2-CZ3 3.34Å; L982-W986 HydrophobicContact CB-CE3 4.01Å; L982-W986 HydrophobicContact CD2-CE3 3.83Å; L982-W986 HydrophobicContact CD2-CZ3 4.27Å; K983-W986 HydrophobicContact CB-CD2 3.72Å; K983-W986 HydrophobicContact CB-CE3 3.88Å; K983-W986 HydrophobicContact CB-CG 4.17Å; K983-W986 HydrophobicContact CB-CZ2 4.4Å; K983-W986 HydrophobicContact CB-CZ3 4.26Å; K983-W986 HydrophobicContact CD-CD2 4.27Å; K983-W986 HydrophobicContact CD-CH2 3.91Å; K983-W986 HydrophobicContact CD-CZ2 3.45Å; K983-W986 VanDerWaalsContact CD-CZ2 3.45Å; K983-W986 HydrophobicContact CD-CZ3 4.44Å; K983-W986 HydrophobicContact CG-CD2 4.02Å; K983-W986 HydrophobicContact CG-CE3 4Å; K983-W986 HydrophobicContact CG-CH2 3.78Å; K983-W986 HydrophobicContact CG-CZ2 3.79Å; K983-W986 HydrophobicContact CG-CZ3 3.85Å; K983-W986 PolarHBondContact O-N 2.92Å; P984-W986 VanDerWaalsContact C-N 3.35Å; W986-F988 PolarHBondContact O-N 3.27Å; W986-C989 WeakPolarHBondContact O-CB 3.41Å; W986-C989 PolarHBondContact O-N 3.34Å
987	W	95.8	Very high	95.5	Very high	39 Å²	39	57.7 Å²	57.7	15%	0.148	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-58.9	-27.3	170.5	-79	81.4	0	0	0	113.3	V923 T961 A964 A965 Y969 T985	V923-W987 HydrophobicContact CG1-CD2 3.61Å; V923-W987 HydrophobicContact CG1-CE3 3.47Å; V923-W987 VanDerWaalsContact CG1-CE3 3.47Å; V923-W987 HydrophobicContact CG1-CG 4.23Å; V923-W987 HydrophobicContact CG1-CH2 4.02Å; V923-W987 HydrophobicContact CG1-CZ2 4.15Å; V923-W987 HydrophobicContact CG1-CZ3 3.7Å; V923-W987 HydrophobicContact CG2-CH2 4.13Å; V923-W987 HydrophobicContact CG2-CZ2 4.07Å; T961-W987 HydrophobicContact CG2-CZ3 4.43Å; A964-W987 HydrophobicContact CB-CH2 4.29Å; A965-W987 HydrophobicContact CB-CH2 3.95Å; A965-W987 HydrophobicContact CB-CZ2 4.09Å; Y969-W987 AromaticContact CE2-CZ2 3.99Å; Y969-W987 HydrophobicContact CE2-CZ2 3.99Å; Y969-W987 AromaticContact CE2-NE1 3.75Å; Y969-W987 AromaticContact CZ-NE1 3.73Å; Y969-W987 PolarHBondContact OH-NE1 3.37Å; T985-W987 VanDerWaalsContact C-N 3.32Å; T985-W987 PolarHBondContact O-N 2.94Å
988	F	96.6	Very high	96.1	Very high	139 Å²	139	57.8 Å²	57.8	61%	0.61	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-90.9	-6.6	-177.6	-60.2	-76.8	0	0	0	113.6	P984 T985 W986 A990 F991	P984-F988 WeakPolarHBondContact O-CD2 3.29Å; P984-F988 VanDerWaalsContact O-CE2 3.27Å; P984-F988 WeakPolarHBondContact O-CE2 3.22Å; T985-F988 PolarHBondContact O-N 3.4Å; T985-F988 VanDerWaalsContact O-N 3.11Å; W986-F988 PolarHBondContact O-N 3.27Å; F988-A990 PolarHBondContact O-N 3.31Å; F988-F991 WeakPolarHBondContact O-CB 3.48Å; F988-F991 PolarHBondContact O-N 3.46Å
989	C	95.6	Very high	96.4	Very high	14 Å²	14	56.2 Å²	56.2	10%	0.095	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-41.9	-178.5	-71.2	0	0	0	0	112.8	F866 A867 W986 P992	F866-C989 HydrophobicContact CD1-CB 4.18Å; F866-C989 WeakPolarHBondContact CD1-O 3.36Å; F866-C989 HydrophobicContact CE1-CB 4.22Å; F866-C989 WeakPolarHBondContact CE1-O 3.42Å; A867-C989 HydrophobicContact CB-CB 3.82Å; W986-C989 WeakPolarHBondContact O-CB 3.41Å; W986-C989 PolarHBondContact O-N 3.34Å; C989-P992 WeakPolarHBondContact O-CD 3.49Å
990	A	96.2	Very high	96.6	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.008	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-10.8	-179.1	0	0	0	0	0	114.3	V927 V928 F988 P992 Y993 S994	V927-A990 HydrophobicContact CB-CB 4.03Å; V927-A990 HydrophobicContact CG1-CB 3.88Å; V928-A990 HydrophobicContact CG1-CB 4.26Å; F988-A990 PolarHBondContact O-N 3.31Å; A990-P992 VanDerWaalsContact C-CD 3.5Å; A990-Y993 WeakPolarHBondContact O-CB 3.34Å; A990-Y993 PolarHBondContact O-N 2.91Å; A990-S994 PolarHBondContact O-N 3.29Å
991	F	97.3	Very high	96.8	Very high	106 Å²	106	58.2 Å²	58.2	47%	0.465	30%	0.295	S	S	.	.	H	α-helix	trans	-59.1	-38.7	-174.6	-157.7	-90.9	0	0	0	114.4	V927 W930 F988 Y993 S994 F995	V927-F991 HydrophobicContact CG1-CB 4.43Å; V927-F991 HydrophobicContact CG1-CD2 4.3Å; W930-F991 HydrophobicContact CZ3-CD2 4.38Å; W930-F991 HydrophobicContact CZ3-CE2 4.26Å; F988-F991 WeakPolarHBondContact O-CB 3.48Å; F988-F991 PolarHBondContact O-N 3.46Å; F991-Y993 VanDerWaalsContact C-N 3.3Å; F991-Y993 PolarHBondContact O-N 2.99Å; F991-S994 WeakPolarHBondContact O-CB 3.22Å; F991-S994 PolarHBondContact O-N 3.22Å; F991-F995 PolarHBondContact O-N 2.91Å
992	P	97.9	Very high	96.9	Very high	80 Å²	80	55.4 Å²	55.4	52%	0.519	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-33.3	174	-22.9	35.2	0	0	0	113.6	C989 A990 L996	C989-P992 WeakPolarHBondContact O-CD 3.49Å; A990-P992 VanDerWaalsContact C-CD 3.5Å; P992-L996 WeakPolarHBondContact O-CB 3.12Å; P992-L996 PolarHBondContact O-N 3.49Å
993	Y	98.2	Very high	97	Very high	56 Å²	56	59.5 Å²	59.5	22%	0.22	30%	0.295	C	S	.	.	H	α-helix	trans	-73.4	-40.1	178	-65.9	-94.1	0	0	0	111.1	I859 L862 F866 A990 F991 F995 L996 I997	I859-Y993 HydrophobicContact CG2-CD1 4.13Å; L862-Y993 HydrophobicContact CB-CD1 4.16Å; L862-Y993 HydrophobicContact CB-CE1 3.7Å; F866-Y993 HydrophobicContact CB-CE2 3.83Å; F866-Y993 AromaticContact CD1-CE2 3.85Å; F866-Y993 HydrophobicContact CD1-CE2 3.85Å; F866-Y993 AromaticContact CG-CE2 3.86Å; F866-Y993 HydrophobicContact CG-CE2 3.86Å; A990-Y993 WeakPolarHBondContact O-CB 3.34Å; A990-Y993 PolarHBondContact O-N 2.91Å; F991-Y993 VanDerWaalsContact C-N 3.3Å; F991-Y993 PolarHBondContact O-N 2.99Å; Y993-F995 PolarHBondContact O-N 3.43Å; Y993-L996 WeakPolarHBondContact O-CB 3.44Å; Y993-L996 PolarHBondContact O-N 2.84Å; Y993-I997 WeakPolarHBondContact O-CG1 3.29Å; Y993-I997 PolarHBondContact O-N 2.95Å
994	S	97.9	Very high	97.1	Very high	11 Å²	11	55.9 Å²	55.9	8%	0.077	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-47	171.4	-170.3	0	0	0	0	111.4	V927 A931 A990 F991 L996 I997 F998	V927-S994 WeakPolarHBondContact O-CB 3.18Å; V927-S994 PolarHBondContact O-OG 2.98Å; A931-S994 WeakPolarHBondContact CB-O 3.41Å; A931-S994 WeakPolarHBondContact CB-OG 3.02Å; A990-S994 PolarHBondContact O-N 3.29Å; F991-S994 WeakPolarHBondContact O-CB 3.22Å; F991-S994 PolarHBondContact O-N 3.22Å; S994-L996 PolarHBondContact O-N 2.96Å; S994-I997 PolarHBondContact O-N 3.01Å; S994-F998 PolarHBondContact O-N 3.06Å; S994-F998 VanDerWaalsContact O-N 3.15Å
995	F	97.9	Very high	97.2	Very high	135 Å²	135	51.2 Å²	51.2	59%	0.592	25%	0.249	S	C	*	.	H	α-helix	trans	-62.7	-39.3	174.2	-177	-103.8	0	0	0	113.1	F991 Y993 F998 V999	F991-F995 PolarHBondContact O-N 2.91Å; Y993-F995 PolarHBondContact O-N 3.43Å; F995-F998 PolarHBondContact O-N 3.32Å; F995-V999 HydrophobicContact CD1-CG2 4.21Å; F995-V999 HydrophobicContact CD2-CG2 4.44Å; F995-V999 HydrophobicContact CE1-CG2 3.74Å; F995-V999 HydrophobicContact CE2-CG2 4Å; F995-V999 HydrophobicContact CZ-CG2 3.63Å; F995-V999 WeakPolarHBondContact O-CG2 3.49Å; F995-V999 PolarHBondContact O-N 3.35Å
996	L	98	Very high	97.3	Very high	87 Å²	87	51.8 Å²	51.8	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-62.6	-43.7	176.2	178.2	60.7	0	0	0	112	I859 P992 Y993 S994 F998 V999 Y1000	I859-L996 HydrophobicContact CG2-CD2 4.1Å; I859-L996 HydrophobicContact CG2-CG 4.47Å; P992-L996 WeakPolarHBondContact O-CB 3.12Å; P992-L996 PolarHBondContact O-N 3.49Å; Y993-L996 WeakPolarHBondContact O-CB 3.44Å; Y993-L996 PolarHBondContact O-N 2.84Å; S994-L996 PolarHBondContact O-N 2.96Å; L996-F998 PolarHBondContact O-N 3.47Å; L996-V999 PolarHBondContact O-N 3.49Å; L996-Y1000 WeakPolarHBondContact O-CB 3.48Å; L996-Y1000 PolarHBondContact O-N 3.4Å
997	I	98.3	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-49.3	175.6	-72.3	166.3	0	0	0	110.6	I856 I859 Q860 V928 A931 I935 Y993 S994 V999 Y1000 D1001	I856-I997 HydrophobicContact CD1-CG2 4.49Å; I856-I997 HydrophobicContact CG2-CD1 4.09Å; I856-I997 HydrophobicContact CG2-CG1 4.1Å; I856-I997 HydrophobicContact CG2-CG2 3.76Å; I859-I997 HydrophobicContact CB-CD1 4.27Å; I859-I997 HydrophobicContact CB-CG1 3.95Å; I859-I997 HydrophobicContact CD1-CG1 4.32Å; I859-I997 HydrophobicContact CG2-CD1 4.03Å; I859-I997 HydrophobicContact CG2-CG1 3.64Å; Q860-I997 HydrophobicContact CG-CD1 3.69Å; V928-I997 HydrophobicContact CB-CD1 3.89Å; V928-I997 HydrophobicContact CG1-CD1 4.27Å; A931-I997 HydrophobicContact CB-CB 4.11Å; A931-I997 HydrophobicContact CB-CG2 3.91Å; I935-I997 HydrophobicContact CD1-CG2 3.62Å; I935-I997 HydrophobicContact CG1-CG2 4.22Å; Y993-I997 WeakPolarHBondContact O-CG1 3.29Å; Y993-I997 PolarHBondContact O-N 2.95Å; S994-I997 PolarHBondContact O-N 3.01Å; I997-V999 PolarHBondContact O-N 3.45Å; I997-Y1000 PolarHBondContact O-N 3.49Å; I997-D1001 PolarHBondContact O-N 3.35Å; I997-D1001 VanDerWaalsContact O-N 3.08Å
998	F	98.1	Very high	97.4	Very high	50 Å²	50	52.2 Å²	52.2	22%	0.219	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-48.9	178.7	176.7	-96.7	0	0	0	112.6	A931 I934 I935 V943 F944 S994 F995 L996 E1002	A931-F998 HydrophobicContact CB-CB 4.32Å; I934-F998 HydrophobicContact CG2-CD2 3.9Å; I934-F998 HydrophobicContact CG2-CE2 3.8Å; I935-F998 HydrophobicContact CG2-CD2 4.23Å; V943-F998 HydrophobicContact CB-CE2 4.35Å; V943-F998 HydrophobicContact CG1-CE2 4.47Å; V943-F998 HydrophobicContact CG2-CE2 4.12Å; F944-F998 HydrophobicContact CE2-CZ 4.3Å; F944-F998 HydrophobicContact CZ-CE1 4.45Å; F944-F998 HydrophobicContact CZ-CZ 4.09Å; S994-F998 PolarHBondContact O-N 3.06Å; S994-F998 VanDerWaalsContact O-N 3.15Å; F995-F998 PolarHBondContact O-N 3.32Å; L996-F998 PolarHBondContact O-N 3.47Å; F998-E1002 WeakPolarHBondContact O-CB 3.34Å; F998-E1002 PolarHBondContact O-N 3.04Å; F998-E1002 VanDerWaalsContact O-N 3.14Å
999	V	98.1	Very high	97.4	Very high	48 Å²	48	48.4 Å²	48.4	29%	0.291	24%	0.235	S	C	.	.	H	α-helix	trans	-66.9	-41	-180	172.2	0	0	0	0	111.5	F995 L996 I997 I1003	F995-V999 HydrophobicContact CD1-CG2 4.21Å; F995-V999 HydrophobicContact CD2-CG2 4.44Å; F995-V999 HydrophobicContact CE1-CG2 3.74Å; F995-V999 HydrophobicContact CE2-CG2 4Å; F995-V999 HydrophobicContact CZ-CG2 3.63Å; F995-V999 WeakPolarHBondContact O-CG2 3.49Å; F995-V999 PolarHBondContact O-N 3.35Å; L996-V999 PolarHBondContact O-N 3.49Å; I997-V999 PolarHBondContact O-N 3.45Å; V999-I1003 HydrophobicContact CG1-CD1 3.71Å; V999-I1003 HydrophobicContact CG1-CG1 4.44Å; V999-I1003 WeakPolarHBondContact O-CB 3.44Å; V999-I1003 VanDerWaalsContact O-CG1 3.27Å; V999-I1003 WeakPolarHBondContact O-CG1 3.45Å; V999-I1003 PolarHBondContact O-N 2.85Å
1000	Y	98	Very high	97.4	Very high	88 Å²	88	57.2 Å²	57.2	35%	0.345	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-53.3	179.8	175	-100	0	0	0	111.7	Q855 I856 L996 I997 I1003 R1004	Q855-Y1000 PolarHBondContact OE1-OH 2.97Å; I856-Y1000 HydrophobicContact CD1-CD1 3.71Å; I856-Y1000 HydrophobicContact CD1-CE1 3.98Å; L996-Y1000 WeakPolarHBondContact O-CB 3.48Å; L996-Y1000 PolarHBondContact O-N 3.4Å; I997-Y1000 PolarHBondContact O-N 3.49Å; Y1000-I1003 PolarHBondContact O-N 3.01Å; Y1000-R1004 WeakPolarHBondContact O-CB 3.5Å; Y1000-R1004 PolarHBondContact O-N 2.97Å
1001	D	97.8	Very high	97.3	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-71.1	-35.7	-177.4	-172.4	70.4	0	0	0	112.6	I935 I997 I1003 R1004 K1005	I935-D1001 HydrophobicContact CB-CB 3.84Å; I935-D1001 WeakPolarHBondContact CB-OD2 3.39Å; I935-D1001 HydrophobicContact CD1-CB 3.55Å; I935-D1001 HydrophobicContact CG1-CB 4.29Å; I935-D1001 HydrophobicContact CG2-CB 3.77Å; I997-D1001 PolarHBondContact O-N 3.35Å; I997-D1001 VanDerWaalsContact O-N 3.08Å; D1001-I1003 VanDerWaalsContact C-N 3.32Å; D1001-I1003 PolarHBondContact O-N 2.94Å; D1001-R1004 WeakPolarHBondContact O-CB 3.44Å; D1001-R1004 PolarHBondContact O-N 2.95Å; D1001-R1004 IonicContact OD1-CZ 2.69Å; D1001-R1004 IonicContact OD1-NE 3.3Å; D1001-R1004 PolarHBondContact OD1-NE 3.38Å; D1001-R1004 IonicContact OD1-NH2 3.42Å; D1001-R1004 PolarHBondContact OD1-NH2 2.98Å; D1001-R1004 IonicContact OD2-NH2 2.7Å; D1001-K1005 WeakPolarHBondContact O-CB 3.35Å; D1001-K1005 VanDerWaalsContact O-CG 3.32Å; D1001-K1005 WeakPolarHBondContact O-CG 3.5Å; D1001-K1005 PolarHBondContact O-N 3.26Å; D1001-K1005 VanDerWaalsContact OD2-CD 3.24Å; D1001-K1005 WeakPolarHBondContact OD2-CD 3.5Å; D1001-K1005 WeakPolarHBondContact OD2-CE 3.49Å; D1001-K1005 IonicContact OD2-NZ 2.89Å; D1001-K1005 PolarHBondContact OD2-NZ 3.27Å
1002	E	97.9	Very high	97	Very high	24 Å²	24	60.6 Å²	60.6	11%	0.112	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-34.8	175.8	-172.2	56.2	-128.5	0	0	111.9	S942 V943 F998 L1006 R1009	S942-E1002 VanDerWaalsContact CA-OE1 3.29Å; S942-E1002 WeakPolarHBondContact CA-OE1 3.48Å; S942-E1002 WeakPolarHBondContact CA-OE2 3.43Å; S942-E1002 WeakPolarHBondContact CB-OE1 3.4Å; S942-E1002 PolarHBondContact OG-OE1 3.05Å; S942-E1002 PolarHBondContact OG-OE2 3.03Å; V943-E1002 PolarHBondContact N-OE2 3.36Å; F998-E1002 WeakPolarHBondContact O-CB 3.34Å; F998-E1002 PolarHBondContact O-N 3.04Å; F998-E1002 VanDerWaalsContact O-N 3.14Å; E1002-L1006 VanDerWaalsContact O-CB 3.32Å; E1002-L1006 WeakPolarHBondContact O-CB 3.42Å; E1002-L1006 PolarHBondContact O-N 2.89Å; E1002-R1009 IonicContact OE1-CZ 2.77Å; E1002-R1009 IonicContact OE1-NH1 3.49Å; E1002-R1009 IonicContact OE1-NH2 2.84Å; E1002-R1009 PolarHBondContact OE1-NH2 3.39Å
1003	I	97.3	Very high	96.7	Very high	91 Å²	91	58.7 Å²	58.7	47%	0.467	29%	0.289	S	S	.	.	H	α-helix	trans	-66.3	-44.5	170	-69.8	170.4	0	0	0	111	V999 Y1000 D1001 K1005 L1006 I1007	V999-I1003 HydrophobicContact CG1-CD1 3.71Å; V999-I1003 HydrophobicContact CG1-CG1 4.44Å; V999-I1003 WeakPolarHBondContact O-CB 3.44Å; V999-I1003 VanDerWaalsContact O-CG1 3.27Å; V999-I1003 WeakPolarHBondContact O-CG1 3.45Å; V999-I1003 PolarHBondContact O-N 2.85Å; Y1000-I1003 PolarHBondContact O-N 3.01Å; D1001-I1003 VanDerWaalsContact C-N 3.32Å; D1001-I1003 PolarHBondContact O-N 2.94Å; I1003-K1005 PolarHBondContact O-N 3.03Å; I1003-L1006 WeakPolarHBondContact O-CB 3.19Å; I1003-L1006 PolarHBondContact O-N 2.9Å; I1003-I1007 HydrophobicContact CG2-CD1 4.02Å; I1003-I1007 WeakPolarHBondContact O-CG1 3.3Å; I1003-I1007 PolarHBondContact O-N 3.1Å
1004	R	97.1	Very high	96.4	Very high	8 Å²	8	56.6 Å²	56.6	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-56.7	-48.8	176.2	-173.4	-168.4	69.1	88.2	-1.9	111.2	Y1000 D1001 L1006 I1007 I1008 V1016 T1020	Y1000-R1004 WeakPolarHBondContact O-CB 3.5Å; Y1000-R1004 PolarHBondContact O-N 2.97Å; D1001-R1004 WeakPolarHBondContact O-CB 3.44Å; D1001-R1004 PolarHBondContact O-N 2.95Å; D1001-R1004 IonicContact OD1-CZ 2.69Å; D1001-R1004 IonicContact OD1-NE 3.3Å; D1001-R1004 PolarHBondContact OD1-NE 3.38Å; D1001-R1004 IonicContact OD1-NH2 3.42Å; D1001-R1004 PolarHBondContact OD1-NH2 2.98Å; D1001-R1004 IonicContact OD2-NH2 2.7Å; R1004-L1006 PolarHBondContact O-N 3.03Å; R1004-I1007 PolarHBondContact O-N 3.05Å; R1004-I1008 HydrophobicContact CG-CD1 4.46Å; R1004-I1008 WeakPolarHBondContact O-CG1 3.27Å; R1004-I1008 PolarHBondContact O-N 2.86Å; R1004-V1016 HydrophobicContact CG-CG1 3.67Å; R1004-T1020 WeakPolarHBondContact CD-OG1 3.47Å; R1004-T1020 PolarHBondContact NH1-O 2.84Å; R1004-T1020 PolarHBondContact NH1-OG1 3.4Å
1005	K	97.1	Very high	96.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-36	176.5	-66.6	-174	-60.4	-144.1	0	112.1	I935 T938 N941 D1001 I1003 I1007 I1008 R1009	I935-K1005 PolarHBondContact O-NZ 2.67Å; T938-K1005 WeakPolarHBondContact O-CD 3.23Å; T938-K1005 PolarHBondContact O-NZ 3.25Å; T938-K1005 PolarHBondContact OG1-NZ 2.93Å; T938-K1005 VanDerWaalsContact OG1-NZ 3.07Å; N941-K1005 WeakPolarHBondContact O-CE 3.23Å; D1001-K1005 WeakPolarHBondContact O-CB 3.35Å; D1001-K1005 VanDerWaalsContact O-CG 3.32Å; D1001-K1005 WeakPolarHBondContact O-CG 3.5Å; D1001-K1005 PolarHBondContact O-N 3.26Å; D1001-K1005 VanDerWaalsContact OD2-CD 3.24Å; D1001-K1005 WeakPolarHBondContact OD2-CD 3.5Å; D1001-K1005 WeakPolarHBondContact OD2-CE 3.49Å; D1001-K1005 IonicContact OD2-NZ 2.89Å; D1001-K1005 PolarHBondContact OD2-NZ 3.27Å; I1003-K1005 PolarHBondContact O-N 3.03Å; K1005-I1007 VanDerWaalsContact C-N 3.35Å; K1005-I1007 PolarHBondContact O-N 2.9Å; K1005-I1008 PolarHBondContact O-N 2.85Å; K1005-R1009 VanDerWaalsContact CB-NH1 3.31Å; K1005-R1009 WeakPolarHBondContact O-CG 3.08Å; K1005-R1009 PolarHBondContact O-N 3.39Å; K1005-R1009 PolarHBondContact O-NH1 3.3Å
1006	L	97	Very high	96.1	Very high	97 Å²	97	59.6 Å²	59.6	51%	0.508	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-40.8	172	179.5	63.9	0	0	0	112.2	E1002 I1003 R1004 R1009 R1010	E1002-L1006 VanDerWaalsContact O-CB 3.32Å; E1002-L1006 WeakPolarHBondContact O-CB 3.42Å; E1002-L1006 PolarHBondContact O-N 2.89Å; I1003-L1006 WeakPolarHBondContact O-CB 3.19Å; I1003-L1006 PolarHBondContact O-N 2.9Å; R1004-L1006 PolarHBondContact O-N 3.03Å; L1006-R1009 PolarHBondContact O-N 3.15Å; L1006-R1010 WeakPolarHBondContact O-CB 3.43Å; L1006-R1010 PolarHBondContact O-N 2.78Å
1007	I	96.8	Very high	95.9	Very high	57 Å²	57	57.1 Å²	57.1	29%	0.292	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-45.8	176.4	-63.6	162.3	0	0	0	110.5	I1003 R1004 K1005 R1009 R1010 D1011 V1016	I1003-I1007 HydrophobicContact CG2-CD1 4.02Å; I1003-I1007 WeakPolarHBondContact O-CG1 3.3Å; I1003-I1007 PolarHBondContact O-N 3.1Å; R1004-I1007 PolarHBondContact O-N 3.05Å; K1005-I1007 VanDerWaalsContact C-N 3.35Å; K1005-I1007 PolarHBondContact O-N 2.9Å; I1007-R1009 VanDerWaalsContact C-N 3.28Å; I1007-R1009 PolarHBondContact O-N 3.17Å; I1007-R1010 PolarHBondContact O-N 3.32Å; I1007-D1011 PolarHBondContact O-N 3.23Å; I1007-V1016 HydrophobicContact CG2-CB 4.1Å; I1007-V1016 HydrophobicContact CG2-CG2 3.73Å
1008	I	96.3	Very high	95.6	Very high	1 Å²	1	63 Å²	63	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-39.7	175.7	-66.9	166.9	0	0	0	111.9	R940 R1004 K1005 V1016 E1017	R940-I1008 HydrophobicContact CG-CG2 4.17Å; R940-I1008 PolarHBondContact NH2-O 3.29Å; R940-I1008 VanDerWaalsContact NH2-O 3.11Å; R1004-I1008 HydrophobicContact CG-CD1 4.46Å; R1004-I1008 WeakPolarHBondContact O-CG1 3.27Å; R1004-I1008 PolarHBondContact O-N 2.86Å; K1005-I1008 PolarHBondContact O-N 2.85Å; I1008-V1016 HydrophobicContact CD1-CG1 4.16Å; I1008-V1016 HydrophobicContact CG1-CB 4.3Å; I1008-V1016 HydrophobicContact CG1-CG1 3.78Å; I1008-E1017 HydrophobicContact CG1-CB 4.38Å; I1008-E1017 HydrophobicContact CG2-CB 4.29Å; I1008-E1017 HydrophobicContact CG2-CG 4.28Å
1009	R	95.7	Very high	95.4	Very high	59 Å²	59	64.7 Å²	64.7	22%	0.223	31%	0.314	C	S	.	.	H	α-helix	trans	-70.2	-30.1	176.6	-69.9	-175.6	-56.6	-99.2	9.1	113	R940 N941 E1002 K1005 L1006 I1007	R940-R1009 HydrophobicContact CG-CG 4.25Å; R940-R1009 WeakPolarHBondContact O-CD 3.33Å; R940-R1009 PolarHBondContact O-NH1 3Å; N941-R1009 VanDerWaalsContact C-NH1 3.27Å; E1002-R1009 IonicContact OE1-CZ 2.77Å; E1002-R1009 IonicContact OE1-NH1 3.49Å; E1002-R1009 IonicContact OE1-NH2 2.84Å; E1002-R1009 PolarHBondContact OE1-NH2 3.39Å; K1005-R1009 VanDerWaalsContact CB-NH1 3.31Å; K1005-R1009 WeakPolarHBondContact O-CG 3.08Å; K1005-R1009 PolarHBondContact O-N 3.39Å; K1005-R1009 PolarHBondContact O-NH1 3.3Å; L1006-R1009 PolarHBondContact O-N 3.15Å; I1007-R1009 VanDerWaalsContact C-N 3.28Å; I1007-R1009 PolarHBondContact O-N 3.17Å
1010	R	95.8	Very high	95.2	Very high	200 Å²	200	62.8 Å²	62.8	76%	0.755	30%	0.302	S	S	*	.	H	α-helix	trans	-86.8	-32.5	-177.2	-165.1	-174.8	71.7	-175.7	0.5	113.5	L1006 I1007	L1006-R1010 WeakPolarHBondContact O-CB 3.43Å; L1006-R1010 PolarHBondContact O-N 2.78Å; I1007-R1010 PolarHBondContact O-N 3.32Å
1011	D	94.4	Very high	95.1	Very high	88 Å²	88	61.5 Å²	61.5	47%	0.471	30%	0.297	S	S	.	.	S	Bend	trans	-127	70.8	-176.8	-173.7	34.1	0	0	0	111.3	I1007 G1013 G1014	I1007-D1011 PolarHBondContact O-N 3.23Å; D1011-G1013 PolarHBondContact O-N 3.24Å; D1011-G1014 PolarHBondContact O-N 3.11Å; D1011-G1014 WeakPolarHBondContact OD2-CA 3.5Å
1012	P	91.9	Very high	94.7	Very high	89 Å²	89	61.9 Å²	61.9	58%	0.578	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	128.1	-179	26.9	-34.2	0	0	0	111.6	G1014 E1017	P1012-G1014 VanDerWaalsContact C-N 3.31Å; P1012-E1017 VanDerWaalsContact CA-OE2 3.3Å; P1012-E1017 WeakPolarHBondContact CA-OE2 3.42Å
1013	G	91.1	Very high	94.6	Very high	41 Å²	41	63.8 Å²	63.8	42%	0.423	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-0.1	-172.6	0	0	0	0	0	115	D1011 E1017 K1018	D1011-G1013 PolarHBondContact O-N 3.24Å; G1013-E1017 PolarHBondContact N-OE2 3.42Å; G1013-K1018 WeakPolarHBondContact O-CE 3.42Å; G1013-K1018 PolarHBondContact O-NZ 3.39Å
1014	G	92.9	Very high	94.4	Very high	11 Å²	11	62.3 Å²	62.3	11%	0.113	30%	0.299	C	S	.	.	S	Bend	trans	-67.2	178.6	174.3	0	0	0	0	0	114.2	D1011 P1012 V1016 E1017 K1018	D1011-G1014 PolarHBondContact O-N 3.11Å; D1011-G1014 WeakPolarHBondContact OD2-CA 3.5Å; P1012-G1014 VanDerWaalsContact C-N 3.31Å; G1014-V1016 PolarHBondContact O-N 3.44Å; G1014-E1017 PolarHBondContact O-N 3.24Å; G1014-K1018 PolarHBondContact O-N 2.85Å
1015	W	94.5	Very high	94.3	Very high	181 Å²	181	65.3 Å²	65.3	69%	0.686	31%	0.314	S	S	*	.	H	α-helix	trans	-61.4	-44.4	-176.7	-177.9	77.9	0	0	0	112.6	E1017 K1018 E1019	W1015-E1017 VanDerWaalsContact C-N 3.28Å; W1015-E1017 PolarHBondContact O-N 2.99Å; W1015-K1018 PolarHBondContact O-N 3.48Å; W1015-E1019 HydrophobicContact CD2-CG 3.95Å; W1015-E1019 VanDerWaalsContact CE2-CG 3.44Å; W1015-E1019 HydrophobicContact CG-CG 4.29Å; W1015-E1019 HydrophobicContact CH2-CG 4.39Å; W1015-E1019 HydrophobicContact CZ2-CB 4.49Å; W1015-E1019 HydrophobicContact CZ2-CG 3.71Å; W1015-E1019 PolarHBondContact O-N 3.23Å
1016	V	94	Very high	94.1	Very high	28 Å²	28	69.2 Å²	69.2	17%	0.17	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-35.9	-178.7	-176.1	0	0	0	0	111.9	R1004 I1007 I1008 G1014 T1020	R1004-V1016 HydrophobicContact CG-CG1 3.67Å; I1007-V1016 HydrophobicContact CG2-CB 4.1Å; I1007-V1016 HydrophobicContact CG2-CG2 3.73Å; I1008-V1016 HydrophobicContact CD1-CG1 4.16Å; I1008-V1016 HydrophobicContact CG1-CB 4.3Å; I1008-V1016 HydrophobicContact CG1-CG1 3.78Å; G1014-V1016 PolarHBondContact O-N 3.44Å; V1016-T1020 HydrophobicContact CG1-CG2 4.48Å; V1016-T1020 WeakPolarHBondContact CG1-OG1 3.46Å; V1016-T1020 WeakPolarHBondContact O-CB 3.46Å; V1016-T1020 PolarHBondContact O-N 2.75Å; V1016-T1020 PolarHBondContact O-OG1 2.89Å
1017	E	93.4	Very high	94	Very high	36 Å²	36	67.4 Å²	67.4	17%	0.168	32%	0.322	C	S	.	.	H	α-helix	trans	-70.1	-38.9	174.8	-174.1	164.3	-165.7	0	0	111.7	R940 I1008 P1012 G1013 G1014 W1015 E1019 Y1021	R940-E1017 IonicContact CZ-OE1 2.76Å; R940-E1017 IonicContact NH1-OE1 3.33Å; R940-E1017 PolarHBondContact NH1-OE1 3.47Å; R940-E1017 IonicContact NH1-OE2 2.78Å; R940-E1017 IonicContact NH2-OE2 3.63Å; I1008-E1017 HydrophobicContact CG1-CB 4.38Å; I1008-E1017 HydrophobicContact CG2-CB 4.29Å; I1008-E1017 HydrophobicContact CG2-CG 4.28Å; P1012-E1017 VanDerWaalsContact CA-OE2 3.3Å; P1012-E1017 WeakPolarHBondContact CA-OE2 3.42Å; G1013-E1017 PolarHBondContact N-OE2 3.42Å; G1014-E1017 PolarHBondContact O-N 3.24Å; W1015-E1017 VanDerWaalsContact C-N 3.28Å; W1015-E1017 PolarHBondContact O-N 2.99Å; E1017-E1019 PolarHBondContact O-N 3Å; E1017-Y1021 HydrophobicContact CG-CD1 4.11Å; E1017-Y1021 HydrophobicContact CG-CG 4.24Å; E1017-Y1021 VanDerWaalsContact O-CB 3.23Å; E1017-Y1021 WeakPolarHBondContact O-CB 3.22Å; E1017-Y1021 PolarHBondContact O-N 2.88Å
1018	K	92.2	Very high	93.8	Very high	122 Å²	122	68.1 Å²	68.1	53%	0.53	32%	0.324	S	S	.	.	H	α-helix	trans	-70	-28.3	179.3	-73.6	170.7	177.6	151.4	0	114.4	R847 G1013 G1014 W1015	R847-K1018 PolarHBondContact NE-O 3.22Å; R847-K1018 PolarHBondContact NH2-O 3.11Å; G1013-K1018 WeakPolarHBondContact O-CE 3.42Å; G1013-K1018 PolarHBondContact O-NZ 3.39Å; G1014-K1018 PolarHBondContact O-N 2.85Å; W1015-K1018 PolarHBondContact O-N 3.48Å
1019	E	94	Very high	93.6	Very high	87 Å²	87	72.9 Å²	72.9	41%	0.407	35%	0.346	S	S	.	.	H	α-helix	trans	-99	-31.9	180	-59.3	-53.9	151.1	0	0	113.9	R847 W1015 E1017	R847-E1019 WeakPolarHBondContact CB-O 3.17Å; R847-E1019 WeakPolarHBondContact CG-O 3.22Å; W1015-E1019 HydrophobicContact CD2-CG 3.95Å; W1015-E1019 VanDerWaalsContact CE2-CG 3.44Å; W1015-E1019 HydrophobicContact CG-CG 4.29Å; W1015-E1019 HydrophobicContact CH2-CG 4.39Å; W1015-E1019 HydrophobicContact CZ2-CB 4.49Å; W1015-E1019 HydrophobicContact CZ2-CG 3.71Å; W1015-E1019 PolarHBondContact O-N 3.23Å; E1017-E1019 PolarHBondContact O-N 3Å
1020	T	94.1	Very high	93.4	Very high	8 Å²	8	74 Å²	74	5%	0.049	36%	0.356	C	S	.	.	H	α-helix	trans	-122.6	-8.1	-167.5	77	0	0	0	0	115.5	I851 R1004 V1016 Y1022	I851-T1020 HydrophobicContact CD1-CG2 4Å; I851-T1020 HydrophobicContact CG1-CG2 4.27Å; R1004-T1020 WeakPolarHBondContact CD-OG1 3.47Å; R1004-T1020 PolarHBondContact NH1-O 2.84Å; R1004-T1020 PolarHBondContact NH1-OG1 3.4Å; V1016-T1020 HydrophobicContact CG1-CG2 4.48Å; V1016-T1020 WeakPolarHBondContact CG1-OG1 3.46Å; V1016-T1020 WeakPolarHBondContact O-CB 3.46Å; V1016-T1020 PolarHBondContact O-N 2.75Å; V1016-T1020 PolarHBondContact O-OG1 2.89Å; T1020-Y1022 PolarHBondContact O-N 2.82Å
1021	Y	95	Very high	93.2	Very high	61 Å²	61	63.5 Å²	63.5	24%	0.239	32%	0.323	C	S	.	.			trans	-86.4	93	174.1	-172.7	-120.4	0	0	0	109.8	R847 R939 R940 E1017	R847-Y1021 WeakPolarHBondContact CD-O 3.35Å; R847-Y1021 PolarHBondContact NH1-O 2.99Å; R939-Y1021 HydrophobicContact CB-CE2 3.95Å; R940-Y1021 HydrophobicContact CB-CE2 3.89Å; E1017-Y1021 HydrophobicContact CG-CD1 4.11Å; E1017-Y1021 HydrophobicContact CG-CG 4.24Å; E1017-Y1021 VanDerWaalsContact O-CB 3.23Å; E1017-Y1021 WeakPolarHBondContact O-CB 3.22Å; E1017-Y1021 PolarHBondContact O-N 2.88Å
1022	Y	91.2	Very high	93.1	Very high	10 Å²	10	61.3 Å²	61.3	4%	0.039	31%	0.309	C	S	.	.			trans	-79.4	0	-178.5	58.5	-98.3	0	0	0	113.3	K772 A776 N845 L848 I851 R939 T1020	K772-Y1022 PolarHBondContact NZ-OXT 3.17Å; A776-Y1022 HydrophobicContact CB-CE2 3.93Å; N845-Y1022 PolarHBondContact ND2-OXT 2.91Å; L848-Y1022 HydrophobicContact CB-CG 4.23Å; L848-Y1022 HydrophobicContact CD1-CD2 4.03Å; L848-Y1022 HydrophobicContact CG-CD2 4.09Å; L848-Y1022 HydrophobicContact CG-CG 4.23Å; I851-Y1022 HydrophobicContact CB-CD1 4.35Å; I851-Y1022 HydrophobicContact CB-CE1 4.48Å; I851-Y1022 HydrophobicContact CG1-CD1 4.49Å; I851-Y1022 HydrophobicContact CG2-CD1 4.33Å; I851-Y1022 HydrophobicContact CG2-CE1 3.96Å; R939-Y1022 HydrophobicContact CG-CD2 4.21Å; R939-Y1022 HydrophobicContact CG-CE2 3.57Å; R939-Y1022 PolarHBondContact NE-O 3.01Å; R939-Y1022 PolarHBondContact NH2-O 3.29Å; T1020-Y1022 PolarHBondContact O-N 2.82Å

Retrieved 1,022 of 1,022 residues in 600.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).