A0A077ZBS9_TRITR Loading...

Ribonuclease 3

AlphaFold DB , UniProt , Accession A0A077ZBS9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,017 aa.

						>A0A077ZBS9_TRITR|A0A077ZBS9
MSLCEIGLSEFDFRDCEPLPEPPEGRPARNRSIRDAKHTLRLVRDDKYYFCCDSAKEEEKIVGATDKLIGLHAAFKERLLDLYEKARKCQASAGNFAQSTELDRAYKHTAKCCLFSDQSTNSSSSSSGEASDSGTTSGSDSSRRRAIYRKQNHPARLHPDLWFNERGEMNDGPVCRCCWKARQRGVAHYIFAGEKPIKACDPLTNNRNRLYYYKLSVSPDINLTKEYSTTKIMYEGREFSFDGYGILCHSEVPATIPDRLMIRWNIEYKLSLEKEAFPEYFTVEDCCLFWQYFFVDLMELYDVNLLPSGSWDGCPTFHIIPRFVVKNSDNSIELLPMSAVLEHLLRSYELVFDPNAFASGTQWNDLVANLKGQLVSNPFKRPSSLRLDQIDRTTVVPDFVDGCYPIIVHFGVRPAVLTYNGNPEYQREYRKYLKFCRLIQLKPTTTPEDKNKMAEWKENLKIMKDKVSATRDVTIELSSKGFYKTGMYSDMVQHGLKLIVMFHHIRFHLSLRVLEQRLQYSFSDRALLELALTHPSYRPNYATNADHIRNTLSNCGLRRPEYGRKRIQGRQHRQRGIQKLIEVMSQMGCKTAKESEAMNNERLEFLGDAVIEFLTTIHLYYMFSDLEEGGLATFRSTLVQNNHLAVLARKIGLDEFMLYVHGPDLCHEEDLKHAMANAFEALLGALFLDGGIAVTDRVYGCTLFPPEEDENLHWIWFNPPLHPLQAEEPNGDRHLVDGIEILKNLTEFEDQIGIKFTHIRLLARAFTRKSVGYNYLTLGHNQRMEFLGDTVLQLITSEYLYKYFPTHQEGHLSLLRSCLVSNKTQAVICDDIGIPKFVNPPVPILPNNNYDLRTKDKADLVESFLGALFVDKGLEYCKLFCQLCFIPRLKHFILNQKWSDPKTRLQQSCIALRDPSGGEPEIPQYKVVSVEGPTNTRVYKVAVYFRNSRLAVGYGQSIKDAEIDAAETALHTKADMLPKILRRETCKAPKREASDSDAEKKKKVCSCISRVYINISM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.9	Very low	29.4	Very low	250 Å²	250	115.5 Å²	115.5	100%	1.232	63%	0.634	S	S	*	*				0	89.5	0	-75.3	-172.5	-91	0	0	106.1
2	S	27	Very low	29.3	Very low	72 Å²	72	117.3 Å²	117.3	50%	0.503	64%	0.641	S	S	.	*			trans	-102.4	130.5	-171.7	50.7	0	0	0	0	109.6	C4	S2-C4 PolarHBondContact O-N 2.8Å
3	L	29	Very low	29.1	Very low	98 Å²	98	122.4 Å²	122.4	51%	0.513	65%	0.654	S	S	.	*	S	Bend	trans	-68.4	16.8	-178.6	-83.7	146.6	0	0	0	115	E5 I6 W714 N718	L3-E5 PolarHBondContact O-N 3.39Å; L3-E5 VanDerWaalsContact O-N 3.1Å; L3-I6 HydrophobicContact CD2-CD1 3.96Å; L3-W714 HydrophobicContact CD1-CH2 4.26Å; L3-W714 HydrophobicContact CD1-CZ2 3.96Å; L3-N718 WeakPolarHBondContact CA-OD1 3.42Å; L3-N718 HydrophobicContact CB-CB 3.91Å; L3-N718 WeakPolarHBondContact CB-OD1 3.49Å; L3-N718 PolarHBondContact N-OD1 2.77Å
4	C	31.1	Very low	28.8	Very low	63 Å²	63	127.9 Å²	127.9	43%	0.426	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.7	4.7	173.9	-66.6	0	0	0	0	114.2	S2 F717 N718	S2-C4 PolarHBondContact O-N 2.8Å; C4-F717 PolarHBondContact SG-O 3.16Å; C4-N718 PolarHBondContact N-OD1 3.21Å
5	E	31.5	Very low	28.6	Very low	139 Å²	139	129.9 Å²	129.9	65%	0.65	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-1.3	-175.9	-71.7	177.7	162.5	0	0	113.6	L3	L3-E5 PolarHBondContact O-N 3.39Å; L3-E5 VanDerWaalsContact O-N 3.1Å
6	I	27.9	Very low	28.5	Very low	92 Å²	92	129.5 Å²	129.5	47%	0.472	68%	0.684	S	S	.	*	S	Bend	trans	-109.5	99	-177.2	-54.2	177.8	0	0	0	110	L3 L721	L3-I6 HydrophobicContact CD2-CD1 3.96Å; I6-L721 HydrophobicContact CG2-CD1 4.07Å; I6-L721 HydrophobicContact CG2-CD2 3.35Å; I6-L721 HydrophobicContact CG2-CG 3.75Å
7	G	30.9	Very low	28.5	Very low	67 Å²	67	133 Å²	133	69%	0.691	70%	0.695	S	S	*	*	S	Bend	trans	126.1	-17.8	161.5	0	0	0	0	0	118
8	L	34.4	Very low	28.5	Very low	107 Å²	107	131.2 Å²	131.2	56%	0.56	69%	0.693	S	S	*	*	S	Bend	trans	-128	-8.9	-178.3	-71.5	171.9	0	0	0	115.2
9	S	28.4	Very low	28.5	Very low	75 Å²	75	132.4 Å²	132.4	52%	0.524	70%	0.699	S	S	.	*	S	Bend	trans	-127.6	-8.7	-174.2	54.1	0	0	0	0	116.2	F11	S9-F11 PolarHBondContact O-N 3.3Å
10	E	27.7	Very low	28.6	Very low	167 Å²	167	132 Å²	132	78%	0.78	70%	0.704	S	S	*	*			trans	-80.9	64.7	167.6	-77.2	-169.8	158	0	0	111
11	F	28.5	Very low	28.5	Very low	141 Å²	141	131.1 Å²	131.1	62%	0.618	70%	0.696	S	S	*	*			trans	-138	97.2	154.3	-99.2	-85	0	0	0	106.3	S9 F13	S9-F11 PolarHBondContact O-N 3.3Å; F11-F13 HydrophobicContact CB-CE2 4.35Å; F11-F13 VanDerWaalsContact O-CD2 3.26Å; F11-F13 WeakPolarHBondContact O-CD2 3.3Å; F11-F13 PolarHBondContact O-N 2.95Å; F11-F13 VanDerWaalsContact O-N 3.13Å
12	D	28.1	Very low	28.6	Very low	136 Å²	136	124.4 Å²	124.4	73%	0.727	67%	0.671	S	S	*	*			trans	-63.7	110.2	164.5	-160.4	-7.3	0	0	0	107.1	R14	D12-R14 PolarHBondContact O-N 3.17Å
13	F	27.6	Very low	28.6	Very low	184 Å²	184	126.5 Å²	126.5	81%	0.807	68%	0.683	S	S	*	*			trans	-77.2	43	-178.3	-83.2	-86.1	0	0	0	111.7	F11	F11-F13 HydrophobicContact CB-CE2 4.35Å; F11-F13 VanDerWaalsContact O-CD2 3.26Å; F11-F13 WeakPolarHBondContact O-CD2 3.3Å; F11-F13 PolarHBondContact O-N 2.95Å; F11-F13 VanDerWaalsContact O-N 3.13Å
14	R	25	Very low	28.6	Very low	199 Å²	199	129.1 Å²	129.1	75%	0.751	69%	0.693	S	S	*	*			trans	-143.5	134.5	-179.6	-60.2	-177.9	-172.5	176.5	5.2	108	D12	D12-R14 PolarHBondContact O-N 3.17Å
15	D	25	Very low	28.5	Very low	158 Å²	158	129.4 Å²	129.4	85%	0.845	71%	0.706	S	S	*	*	S	Bend	trans	89.5	61	175.4	-47.6	-22.6	0	0	0	116.7
16	C	27.2	Very low	28.7	Very low	124 Å²	124	128.6 Å²	128.6	84%	0.838	70%	0.697	S	S	*	*	S	Bend	trans	-155.1	132.2	139.5	-89.2	0	0	0	0	108.6
17	E	28.2	Very low	28.7	Very low	189 Å²	189	127.9 Å²	127.9	88%	0.883	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-55.8	149.7	-173.7	-70	-176.6	155.9	0	0	113.8	L19	E17-L19 PolarHBondContact O-N 2.73Å
18	P	28.4	Very low	28.8	Very low	101 Å²	101	129.6 Å²	129.6	66%	0.656	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-77.8	119.2	-157.3	30.6	-34.4	0	0	0	112.9	E21	P18-E21 HydrophobicContact CB-CG 4.45Å
19	L	29.8	Very low	29	Very low	154 Å²	154	134.2 Å²	134.2	81%	0.806	72%	0.716	S	S	*	*	S	Bend	trans	-57.1	142.3	146.8	-72.9	168.2	0	0	0	107.6	E17 E21	E17-L19 PolarHBondContact O-N 2.73Å; L19-E21 PolarHBondContact O-N 3.26Å
20	P	29.2	Very low	30	Very low	124 Å²	124	135 Å²	135	81%	0.805	71%	0.714	S	S	*	*			trans	-52.4	111.6	-168.6	21.5	-31.9	0	0	0	109.2
21	E	26.8	Very low	31.1	Very low	113 Å²	113	136.4 Å²	136.4	53%	0.528	71%	0.713	S	S	.	*			trans	-51	134.1	-175.2	-66.8	-177.6	158.6	0	0	108.5	P18 L19 E24	P18-E21 HydrophobicContact CB-CG 4.45Å; L19-E21 PolarHBondContact O-N 3.26Å; E21-E24 WeakPolarHBondContact OE2-CG 3.2Å
22	P	29.4	Very low	32.5	Very low	110 Å²	110	129.8 Å²	129.8	71%	0.714	68%	0.684	S	S	*	*	S	Bend	trans	-54.8	132.2	158.7	27.6	-29.5	0	0	0	104.8	E24	P22-E24 PolarHBondContact O-N 3.17Å
23	P	27.6	Very low	34.6	Very low	115 Å²	115	124.7 Å²	124.7	75%	0.747	66%	0.656	S	S	*	*	S	Bend	trans	-45	119.6	-165.9	18	-31.1	0	0	0	109.3
24	E	28.8	Very low	37.1	Very low	154 Å²	154	121.3 Å²	121.3	72%	0.72	64%	0.638	S	S	*	*	S	Bend	trans	-27	137.5	176.5	-66.7	167.6	135.6	0	0	111.3	E21 P22	E21-E24 WeakPolarHBondContact OE2-CG 3.2Å; P22-E24 PolarHBondContact O-N 3.17Å
25	G	28.8	Very low	39.7	Very low	68 Å²	68	117.9 Å²	117.9	70%	0.701	64%	0.635	S	S	*	*	S	Bend	trans	-1.3	128.8	179	0	0	0	0	0	116.6	P27	G25-P27 WeakPolarHBondContact O-CD 3.09Å
26	R	35	Very low	42.2	Very low	122 Å²	122	111.7 Å²	111.7	46%	0.46	61%	0.606	S	S	.	*			trans	-29.4	107.9	167.7	-77.4	-172.5	-156.1	177.1	16	107.3	A28 D524 L688	R26-A28 PolarHBondContact O-N 2.57Å; R26-D524 IonicContact CZ-OD2 3.43Å; R26-D524 IonicContact NH1-OD2 2.72Å; R26-D524 PolarHBondContact NH1-OD2 3.24Å; R26-L688 PolarHBondContact NH2-O 2.99Å
27	P	28.1	Very low	44.6	Very low	77 Å²	77	114.9 Å²	114.9	50%	0.5	61%	0.605	S	S	.	*			trans	-54.3	130.4	174.6	21.4	-31.3	0	0	0	103.7	G25 R29	G25-P27 WeakPolarHBondContact O-CD 3.09Å; P27-R29 HydrophobicContact CB-CG 3.96Å; P27-R29 HydrophobicContact CG-CG 3.76Å; P27-R29 WeakPolarHBondContact O-CA 3.43Å; P27-R29 VanDerWaalsContact O-CB 3.3Å; P27-R29 WeakPolarHBondContact O-CB 3.46Å; P27-R29 PolarHBondContact O-N 2.99Å
28	A	32.2	Very low	47.2	Very low	104 Å²	104	107.3 Å²	107.3	86%	0.86	57%	0.57	S	S	*	*			trans	-57.9	76.7	176.6	0	0	0	0	0	107.9	R26	R26-A28 PolarHBondContact O-N 2.57Å
29	R	39	Very low	49.8	Very low	204 Å²	204	107.1 Å²	107.1	77%	0.77	57%	0.567	S	S	*	*			trans	-98.2	119.7	-170.6	-91.4	-175.6	-177.8	-178.4	1.8	103.1	P27	P27-R29 HydrophobicContact CB-CG 3.96Å; P27-R29 HydrophobicContact CG-CG 3.76Å; P27-R29 WeakPolarHBondContact O-CA 3.43Å; P27-R29 VanDerWaalsContact O-CB 3.3Å; P27-R29 WeakPolarHBondContact O-CB 3.46Å; P27-R29 PolarHBondContact O-N 2.99Å
30	N	48.8	Very low	52.5	Low	90 Å²	90	101 Å²	101	48%	0.481	54%	0.535	S	S	.	.			trans	93.5	57.7	-178.2	-45.1	-34.5	0	0	0	113.7	S32	N30-S32 PolarHBondContact O-N 3.06Å
31	R	51.3	Low	55.3	Low	198 Å²	198	100.6 Å²	100.6	75%	0.747	52%	0.517	S	S	*	.			trans	-58.1	103.4	136	-68.9	-174.2	-176.2	-175.5	1.4	106.2	I33	R31-I33 VanDerWaalsContact C-N 3.25Å
32	S	58.6	Low	58.2	Low	2 Å²	2	97.5 Å²	97.5	1%	0.014	50%	0.504	C	S	.	.			trans	-70.2	-31.1	175.8	61.9	0	0	0	0	111.3	N30 R34 I256 D258	N30-S32 PolarHBondContact O-N 3.06Å; S32-R34 PolarHBondContact O-N 2.94Å; S32-I256 WeakPolarHBondContact CB-O 3.24Å; S32-I256 WeakPolarHBondContact OG-CG2 3.48Å; S32-I256 PolarHBondContact OG-O 3.35Å; S32-D258 WeakPolarHBondContact CA-OD1 3.47Å; S32-D258 WeakPolarHBondContact CB-OD1 3.45Å
33	I	72.3	Confident	61.1	Low	29 Å²	29	92.7 Å²	92.7	15%	0.149	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	105.1	175.2	-51.4	-177	0	0	0	107.6	R31 Y213 V252 I256 L272 K274	R31-I33 VanDerWaalsContact C-N 3.25Å; I33-Y213 HydrophobicContact CD1-CE1 4.03Å; I33-Y213 HydrophobicContact CG2-CD1 4.41Å; I33-Y213 HydrophobicContact CG2-CE1 4.23Å; I33-V252 HydrophobicContact CD1-CB 4.25Å; I33-V252 HydrophobicContact CD1-CG1 4.31Å; I33-I256 HydrophobicContact CG1-CG2 4.44Å; I33-L272 VanDerWaalsContact CA-O 3.29Å; I33-L272 WeakPolarHBondContact CA-O 3.33Å; I33-L272 HydrophobicContact CG1-CB 4.41Å; I33-K274 HydrophobicContact CG2-CB 3.82Å
34	R	79	Confident	63.8	Low	113 Å²	113	96.1 Å²	96.1	43%	0.426	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	145.8	174.2	-59.6	178.2	-173.5	168.9	5.1	109.3	S32 L272 E273 K274	S32-R34 PolarHBondContact O-N 2.94Å; R34-L272 PolarHBondContact N-O 2.64Å; R34-L272 VanDerWaalsContact N-O 3.11Å; R34-E273 HydrophobicContact CB-CG 4.39Å; R34-E273 CarbonylContact O-C 3.5Å; R34-E273 VanDerWaalsContact O-CA 3.26Å; R34-E273 WeakPolarHBondContact O-CA 3.33Å; R34-K274 PolarHBondContact O-N 2.86Å
35	D	80.3	Confident	66.5	Low	127 Å²	127	89 Å²	89	68%	0.679	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.2	166.5	-59.6	-46.3	0	0	0	109.2
36	A	77.2	Confident	69.3	Low	28 Å²	28	91 Å²	91	23%	0.231	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-63.6	138.4	177.4	0	0	0	0	0	111.5	H38 K274 E275	A36-H38 VanDerWaalsContact C-N 3.3Å; A36-H38 PolarHBondContact O-N 3.06Å; A36-K274 PolarHBondContact N-O 3.22Å; A36-K274 VanDerWaalsContact N-O 3.13Å; A36-E275 HydrophobicContact CB-CB 4.45Å; A36-E275 HydrophobicContact CB-CG 3.32Å
37	K	78.9	Confident	71.9	Confident	190 Å²	190	91 Å²	91	83%	0.826	44%	0.435	S	S	*	.	S	Bend	trans	-86	1.7	-179.3	-63.3	-175.5	178.3	-176.7	0	114.3	N330	K37-N330 PolarHBondContact O-ND2 3Å; K37-N330 VanDerWaalsContact O-ND2 3.17Å
38	H	81.4	Confident	75	Confident	30 Å²	30	89 Å²	89	14%	0.139	42%	0.418	C	S	.	.	S	Bend	trans	-127.6	153.9	-174.4	60.6	-88.6	0	0	0	110	A36 E275 N330 I332	A36-H38 VanDerWaalsContact C-N 3.3Å; A36-H38 PolarHBondContact O-N 3.06Å; H38-E275 IonicContact CE1-OE1 2.87Å; H38-E275 PolarHBondContact CE1-OE1 2.87Å; H38-E275 VanDerWaalsContact NE2-CD 3.35Å; H38-E275 IonicContact NE2-OE1 2.69Å; H38-E275 PolarHBondContact NE2-OE1 3.04Å; H38-E275 IonicContact NE2-OE2 3.17Å; H38-N330 VanDerWaalsContact CB-O 3.29Å; H38-N330 WeakPolarHBondContact CB-O 3.14Å; H38-I332 HydrophobicContact CB-CD1 4.16Å; H38-I332 HydrophobicContact CB-CG1 4.17Å; H38-I332 WeakPolarHBondContact CD2-CD1 3.31Å
39	T	83.9	Confident	77.9	Confident	98 Å²	98	84 Å²	84	60%	0.601	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.2	175.1	-51.7	0	0	0	0	109.3	S331 I332	T39-S331 CarbonylContact O-C 3.56Å; T39-S331 VanDerWaalsContact O-CA 3.27Å; T39-S331 WeakPolarHBondContact O-CA 3.1Å; T39-I332 PolarHBondContact O-N 3.05Å
40	L	85.9	Confident	80.4	Confident	25 Å²	25	79 Å²	79	13%	0.131	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.3	175.4	-170.9	68.6	0	0	0	109.9	L42 A276 L334	L40-L42 HydrophobicContact CD2-CD2 4.06Å; L40-L42 HydrophobicContact CG-CD2 4.17Å; L40-A276 HydrophobicContact CB-CB 4.37Å; L40-A276 HydrophobicContact CD2-CB 4.35Å; L40-A276 WeakPolarHBondContact CD2-O 3.27Å; L40-L334 HydrophobicContact CD1-CB 3.96Å; L40-L334 HydrophobicContact CD2-CD2 4.49Å
41	R	88.6	Confident	82	Confident	116 Å²	116	78.3 Å²	78.3	44%	0.438	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.5	168.2	-69	-175.7	-179.6	153.9	11.6	108.8	D329 S331 I332 E333 L334	R41-D329 IonicContact CZ-OD2 3.1Å; R41-D329 VanDerWaalsContact CZ-OD2 3.28Å; R41-D329 IonicContact NH1-OD2 2.7Å; R41-D329 PolarHBondContact NH1-OD2 2.97Å; R41-D329 IonicContact NH2-OD2 2.7Å; R41-D329 PolarHBondContact NH2-OD2 3.27Å; R41-S331 PolarHBondContact NH1-OG 3.22Å; R41-I332 PolarHBondContact N-O 3.46Å; R41-E333 HydrophobicContact CB-CG 3.84Å; R41-E333 CarbonylContact O-C 3.58Å; R41-E333 VanDerWaalsContact O-CA 3.3Å; R41-E333 WeakPolarHBondContact O-CA 3.38Å; R41-L334 PolarHBondContact O-N 2.9Å
42	L	88	Confident	83.2	Confident	47 Å²	47	70.7 Å²	70.7	25%	0.246	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131	-179.6	-56.4	179.6	0	0	0	109.6	L40 R44 E279 Y280 L334	L40-L42 HydrophobicContact CD2-CD2 4.06Å; L40-L42 HydrophobicContact CG-CD2 4.17Å; L42-R44 PolarHBondContact O-N 3.48Å; L42-E279 HydrophobicContact CD1-CB 3.68Å; L42-E279 HydrophobicContact CD1-CG 3.59Å; L42-Y280 HydrophobicContact CB-CD2 4.01Å; L42-Y280 HydrophobicContact CB-CE2 4Å; L42-Y280 HydrophobicContact CD1-CD2 4.47Å; L42-L334 HydrophobicContact CD2-CB 4.19Å; L42-L334 HydrophobicContact CD2-CD2 4.13Å
43	V	88.7	Confident	83.4	Confident	9 Å²	9	79.2 Å²	79.2	6%	0.055	38%	0.384	C	S	.	.			trans	-74.3	117.6	170	176.9	0	0	0	0	107.7	Y234 F239 Y280 E333 L334	V43-Y234 HydrophobicContact CG1-CD1 4.4Å; V43-Y234 HydrophobicContact CG1-CE1 3.9Å; V43-F239 HydrophobicContact CG2-CE1 3.92Å; V43-F239 HydrophobicContact CG2-CZ 3.84Å; V43-Y280 WeakPolarHBondContact O-CD2 3.49Å; V43-E333 HydrophobicContact CG2-CB 4.28Å; V43-L334 WeakPolarHBondContact CG2-O 3.45Å; V43-L334 PolarHBondContact N-O 3.23Å; V43-L334 VanDerWaalsContact N-O 3.14Å
44	R	85.5	Confident	82.9	Confident	187 Å²	187	79.7 Å²	79.7	71%	0.706	39%	0.39	S	S	*	.			trans	-70.1	137.1	-179.3	-60.2	-160.4	171.5	173.2	-2.4	111	L42 Y280	L42-R44 PolarHBondContact O-N 3.48Å; R44-Y280 HydrophobicContact CB-CE2 4.29Å; R44-Y280 HydrophobicContact CG-CE2 4.13Å; R44-Y280 VanDerWaalsContact CG-OH 3.24Å; R44-Y280 WeakPolarHBondContact CG-OH 3.17Å
45	D	85.2	Confident	81.5	Confident	4 Å²	4	79.7 Å²	79.7	2%	0.021	41%	0.414	C	S	.	.			trans	-138.7	68.9	175.5	-166	0.7	0	0	0	112	K47 Y48 Y49 P336 S338	D45-K47 PolarHBondContact O-N 3.24Å; D45-K47 WeakPolarHBondContact OD1-CB 3.27Å; D45-Y48 PolarHBondContact O-N 3.17Å; D45-Y48 WeakPolarHBondContact OD1-CD2 3.47Å; D45-Y48 VanDerWaalsContact OD2-CD2 3.24Å; D45-Y48 WeakPolarHBondContact OD2-CD2 3.34Å; D45-Y49 HydrophobicContact CB-CD2 4.18Å; D45-Y49 PolarHBondContact O-N 3.16Å; D45-P336 HydrophobicContact CB-CB 4.07Å; D45-P336 HydrophobicContact CB-CG 3.88Å; D45-S338 PolarHBondContact OD2-OG 3.36Å
46	D	86.7	Confident	80.6	Confident	110 Å²	110	80 Å²	80	59%	0.588	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.1	-178.5	-54.4	-26.7	0	0	0	112.6	Y49	D46-Y49 CarbonylContact C-O 3.55Å; D46-Y49 VanDerWaalsContact CA-O 3.31Å; D46-Y49 WeakPolarHBondContact CA-O 3.41Å
47	K	90.5	Very high	79.7	Confident	122 Å²	122	86 Å²	86	53%	0.53	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-32.6	174.6	-62.8	171.6	-173.8	159.5	0	111.9	D45 T65	D45-K47 PolarHBondContact O-N 3.24Å; D45-K47 WeakPolarHBondContact OD1-CB 3.27Å; K47-T65 PolarHBondContact O-OG1 2.95Å
48	Y	92.3	Very high	78.9	Confident	35 Å²	35	84.7 Å²	84.7	14%	0.137	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-29.7	-175.5	-73.5	-82.2	0	0	0	112	D45 T65 K67 L68 L71 E342	D45-Y48 PolarHBondContact O-N 3.17Å; D45-Y48 WeakPolarHBondContact OD1-CD2 3.47Å; D45-Y48 VanDerWaalsContact OD2-CD2 3.24Å; D45-Y48 WeakPolarHBondContact OD2-CD2 3.34Å; Y48-T65 VanDerWaalsContact CA-OG1 3.26Å; Y48-T65 WeakPolarHBondContact CA-OG1 3.29Å; Y48-T65 WeakPolarHBondContact O-CB 3.35Å; Y48-T65 WeakPolarHBondContact O-CG2 3.42Å; Y48-T65 PolarHBondContact O-N 2.92Å; Y48-T65 PolarHBondContact O-OG1 3.13Å; Y48-K67 HydrophobicContact CD1-CB 4.13Å; Y48-K67 HydrophobicContact CE1-CB 4.19Å; Y48-L68 HydrophobicContact CD1-CB 4.02Å; Y48-L68 HydrophobicContact CD1-CD1 4.04Å; Y48-L68 VanDerWaalsContact O-CB 3.31Å; Y48-L68 WeakPolarHBondContact O-CB 3.42Å; Y48-L71 HydrophobicContact CD1-CD2 4.32Å; Y48-L71 HydrophobicContact CE1-CB 4.23Å; Y48-L71 HydrophobicContact CE1-CD2 3.94Å; Y48-E342 PolarHBondContact OH-OE1 3.49Å
49	Y	93.3	Very high	78.2	Confident	1 Å²	1	88 Å²	88	0%	0.004	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.6	-175.3	-58.9	-78.8	0	0	0	111.4	D45 D46 V62 G63 L68 Y280 T282 D285 P336 M337 S338	D45-Y49 HydrophobicContact CB-CD2 4.18Å; D45-Y49 PolarHBondContact O-N 3.16Å; D46-Y49 CarbonylContact C-O 3.55Å; D46-Y49 VanDerWaalsContact CA-O 3.31Å; D46-Y49 WeakPolarHBondContact CA-O 3.41Å; Y49-V62 HydrophobicContact CD1-CG1 4.02Å; Y49-V62 HydrophobicContact CG-CG1 4.12Å; Y49-G63 WeakPolarHBondContact CA-O 3.43Å; Y49-L68 HydrophobicContact CD1-CD2 3.76Å; Y49-L68 HydrophobicContact CE1-CD2 3.31Å; Y49-Y280 AromaticContact CD2-CD1 3.99Å; Y49-Y280 HydrophobicContact CD2-CD1 3.99Å; Y49-Y280 HydrophobicContact CD2-CG 4.47Å; Y49-Y280 HydrophobicContact CG-CD1 4.11Å; Y49-T282 HydrophobicContact CD1-CG2 4.29Å; Y49-T282 HydrophobicContact CE1-CG2 4.01Å; Y49-D285 WeakPolarHBondContact CE1-OD2 3.18Å; Y49-D285 PolarHBondContact OH-OD2 3.4Å; Y49-P336 HydrophobicContact CE2-CB 4.14Å; Y49-M337 WeakPolarHBondContact OH-CB 3.32Å; Y49-S338 WeakPolarHBondContact CE2-OG 3.4Å; Y49-S338 PolarHBondContact OH-N 2.92Å
50	F	91.2	Very high	77.8	Confident	97 Å²	97	86.3 Å²	86.3	43%	0.425	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.4	170.7	69.9	-88.9	0	0	0	110.4	C52 V62 G63 A64 T65	F50-C52 VanDerWaalsContact CE2-SG 3.59Å; F50-V62 CarbonylContact O-C 3.51Å; F50-V62 WeakPolarHBondContact O-CA 3.43Å; F50-G63 WeakPolarHBondContact CD1-O 3.26Å; F50-G63 PolarHBondContact N-O 2.98Å; F50-G63 PolarHBondContact O-N 3.2Å; F50-A64 VanDerWaalsContact CE1-O 3.31Å; F50-A64 WeakPolarHBondContact CE1-O 3.3Å; F50-T65 HydrophobicContact CB-CG2 4.33Å; F50-T65 HydrophobicContact CD1-CG2 3.92Å
51	C	83.7	Confident	77.8	Confident	76 Å²	76	87 Å²	87	51%	0.514	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125	173.8	-167.9	0	0	0	0	109.1
52	C	75.7	Confident	77.9	Confident	38 Å²	38	81.7 Å²	81.7	26%	0.257	41%	0.414	S	S	.	.			trans	-72.5	138.6	169.5	-60.5	0	0	0	0	108.9	F50 S54 I61	F50-C52 VanDerWaalsContact CE2-SG 3.59Å; C52-S54 PolarHBondContact O-N 3.2Å; C52-S54 PolarHBondContact O-OG 2.69Å; C52-S54 VanDerWaalsContact O-OG 3.1Å; C52-I61 HydrophobicContact CB-CB 4.32Å; C52-I61 HydrophobicContact CB-CG2 4.4Å; C52-I61 WeakPolarHBondContact CB-O 3.34Å; C52-I61 PolarHBondContact N-O 3.17Å
53	D	64.1	Low	78	Confident	181 Å²	181	79.5 Å²	79.5	97%	0.968	40%	0.402	S	S	*	.			trans	-60	98.9	174	-70.1	-34.5	0	0	0	109.4
54	S	59.8	Low	78.2	Confident	39 Å²	39	79.7 Å²	79.7	27%	0.273	41%	0.405	S	S	.	.			trans	-118	130.2	178.4	38.5	0	0	0	0	107.9	C52 K56	C52-S54 PolarHBondContact O-N 3.2Å; C52-S54 PolarHBondContact O-OG 2.69Å; C52-S54 VanDerWaalsContact O-OG 3.1Å; S54-K56 PolarHBondContact O-N 2.91Å
55	A	49.7	Very low	78.6	Confident	113 Å²	113	72.2 Å²	72.2	93%	0.934	38%	0.38	S	S	*	.	S	Bend	trans	-70.4	-4.5	-167.8	0	0	0	0	0	114.8
56	K	62.4	Low	79	Confident	135 Å²	135	78.9 Å²	78.9	59%	0.587	42%	0.415	S	S	*	.	S	Bend	trans	-135.2	131.9	-178.9	-65.7	-176.9	-179.4	178.7	0	110.4	S54 E58 E59	S54-K56 PolarHBondContact O-N 2.91Å; K56-E58 PolarHBondContact O-N 2.85Å; K56-E58 VanDerWaalsContact O-N 3.14Å; K56-E59 PolarHBondContact O-N 2.92Å
57	E	58.9	Low	79.4	Confident	152 Å²	152	80 Å²	80	71%	0.71	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-60.3	-25.4	179.7	-70.9	-155.8	109.5	0	0	114.1	E59 K60	E57-E59 VanDerWaalsContact C-N 3.27Å; E57-E59 PolarHBondContact O-N 3.17Å; E57-K60 WeakPolarHBondContact O-CG 3.49Å; E57-K60 IonicContact OE1-NZ 3.71Å; E57-K60 PolarHBondContact OE1-NZ 3.08Å
58	E	60.5	Low	79.6	Confident	164 Å²	164	74.1 Å²	74.1	77%	0.766	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-76.4	-13.7	-177.7	-62.2	-179.9	168.5	0	0	113.7	K56	K56-E58 PolarHBondContact O-N 2.85Å; K56-E58 VanDerWaalsContact O-N 3.14Å
59	E	67.5	Low	79.7	Confident	99 Å²	99	75.8 Å²	75.8	46%	0.463	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-120.5	31.4	-177.2	-65.2	-178.5	-177.7	0	0	111.9	K56 E57 I61	K56-E59 PolarHBondContact O-N 2.92Å; E57-E59 VanDerWaalsContact C-N 3.27Å; E57-E59 PolarHBondContact O-N 3.17Å; E59-I61 WeakPolarHBondContact O-CG1 3.29Å; E59-I61 PolarHBondContact O-N 3.19Å
60	K	76.3	Confident	79.8	Confident	63 Å²	63	77.7 Å²	77.7	27%	0.274	42%	0.42	S	S	.	.			trans	-56.4	101.7	177.8	-78.5	172.9	-175.4	169	0	111	E57 N205	E57-K60 WeakPolarHBondContact O-CG 3.49Å; E57-K60 IonicContact OE1-NZ 3.71Å; E57-K60 PolarHBondContact OE1-NZ 3.08Å; K60-N205 PolarHBondContact O-ND2 3.27Å
61	I	85.8	Confident	80.1	Confident	40 Å²	40	73.9 Å²	73.9	21%	0.205	40%	0.404	C	S	.	.			trans	-85.7	129	173.3	-64.9	173.6	0	0	0	107.8	C52 E59 T204 N205 R207	C52-I61 HydrophobicContact CB-CB 4.32Å; C52-I61 HydrophobicContact CB-CG2 4.4Å; C52-I61 WeakPolarHBondContact CB-O 3.34Å; C52-I61 PolarHBondContact N-O 3.17Å; E59-I61 WeakPolarHBondContact O-CG1 3.29Å; E59-I61 PolarHBondContact O-N 3.19Å; I61-T204 HydrophobicContact CG2-CG2 4.12Å; I61-N205 WeakPolarHBondContact CA-OD1 3.5Å; I61-R207 HydrophobicContact CG1-CB 4.48Å
62	V	89.6	Confident	80.7	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.024	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.6	177.1	177.8	0	0	0	0	108.9	Y49 F50 T204 N205 E279	Y49-V62 HydrophobicContact CD1-CG1 4.02Å; Y49-V62 HydrophobicContact CG-CG1 4.12Å; F50-V62 CarbonylContact O-C 3.51Å; F50-V62 WeakPolarHBondContact O-CA 3.43Å; V62-T204 CarbonylContact O-C 3.56Å; V62-T204 WeakPolarHBondContact O-CA 3.24Å; V62-T204 WeakPolarHBondContact O-CB 3.48Å; V62-N205 HydrophobicContact CB-CB 4.43Å; V62-N205 PolarHBondContact N-ND2 2.97Å; V62-N205 PolarHBondContact N-OD1 3.27Å; V62-N205 PolarHBondContact O-N 2.94Å; V62-E279 WeakPolarHBondContact CB-O 3.49Å; V62-E279 HydrophobicContact CG2-CB 4.07Å
63	G	90.9	Very high	81.7	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.01	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	162.2	-178.9	0	0	0	0	0	113.8	Y49 F50 L203	Y49-G63 WeakPolarHBondContact CA-O 3.43Å; F50-G63 WeakPolarHBondContact CD1-O 3.26Å; F50-G63 PolarHBondContact N-O 2.98Å; F50-G63 PolarHBondContact O-N 3.2Å; G63-L203 CarbonylContact C-O 3.6Å; G63-L203 WeakPolarHBondContact CA-O 3.37Å
64	A	92.1	Very high	83.2	Confident	12 Å²	12	65 Å²	65	10%	0.099	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.8	177.5	0	0	0	0	0	112.6	F50 L68 I69 L203 T282	F50-A64 VanDerWaalsContact CE1-O 3.31Å; F50-A64 WeakPolarHBondContact CE1-O 3.3Å; A64-L68 HydrophobicContact CB-CB 4.22Å; A64-L68 HydrophobicContact CB-CD2 3.72Å; A64-L68 HydrophobicContact CB-CG 4.27Å; A64-I69 HydrophobicContact CB-CG1 4.2Å; A64-L203 HydrophobicContact CB-CB 4.13Å; A64-L203 HydrophobicContact CB-CD2 4.18Å; A64-L203 PolarHBondContact N-O 2.76Å; A64-T282 HydrophobicContact CB-CG2 4.11Å
65	T	94.6	Very high	84.9	Confident	30 Å²	30	63.1 Å²	63.1	18%	0.184	35%	0.348	C	S	.	.			trans	-71.4	165.2	165.9	64.7	0	0	0	0	111.3	K47 Y48 F50 K67 L68 I69	K47-T65 PolarHBondContact O-OG1 2.95Å; Y48-T65 VanDerWaalsContact CA-OG1 3.26Å; Y48-T65 WeakPolarHBondContact CA-OG1 3.29Å; Y48-T65 WeakPolarHBondContact O-CB 3.35Å; Y48-T65 WeakPolarHBondContact O-CG2 3.42Å; Y48-T65 PolarHBondContact O-N 2.92Å; Y48-T65 PolarHBondContact O-OG1 3.13Å; F50-T65 HydrophobicContact CB-CG2 4.33Å; F50-T65 HydrophobicContact CD1-CG2 3.92Å; T65-K67 PolarHBondContact O-N 2.89Å; T65-K67 VanDerWaalsContact O-N 3.13Å; T65-L68 PolarHBondContact O-N 2.59Å; T65-I69 PolarHBondContact O-N 3.49Å; T65-I69 VanDerWaalsContact O-N 3.13Å
66	D	93.9	Very high	87.1	Confident	144 Å²	144	63 Å²	63	77%	0.77	33%	0.327	S	S	*	.	H	α-helix	trans	-55.3	-31.5	174.2	-65.9	-29.8	0	0	0	113	I69 G70	D66-I69 PolarHBondContact O-N 2.62Å; D66-G70 PolarHBondContact O-N 3.05Å
67	K	94.1	Very high	88.6	Confident	133 Å²	133	63.1 Å²	63.1	58%	0.578	33%	0.33	S	S	*	.	H	α-helix	trans	-64.5	-39.5	174.8	-82.5	-174.7	175.9	175.4	0	112.5	Y48 T65 G70 L71	Y48-K67 HydrophobicContact CD1-CB 4.13Å; Y48-K67 HydrophobicContact CE1-CB 4.19Å; T65-K67 PolarHBondContact O-N 2.89Å; T65-K67 VanDerWaalsContact O-N 3.13Å; K67-G70 PolarHBondContact O-N 3.14Å; K67-L71 PolarHBondContact O-N 3.37Å
68	L	94.5	Very high	90.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-70.2	-40.1	177.5	-175.2	62.9	0	0	0	111.3	Y48 Y49 A64 T65 G70 L71 H72 T282	Y48-L68 HydrophobicContact CD1-CB 4.02Å; Y48-L68 HydrophobicContact CD1-CD1 4.04Å; Y48-L68 VanDerWaalsContact O-CB 3.31Å; Y48-L68 WeakPolarHBondContact O-CB 3.42Å; Y49-L68 HydrophobicContact CD1-CD2 3.76Å; Y49-L68 HydrophobicContact CE1-CD2 3.31Å; A64-L68 HydrophobicContact CB-CB 4.22Å; A64-L68 HydrophobicContact CB-CD2 3.72Å; A64-L68 HydrophobicContact CB-CG 4.27Å; T65-L68 PolarHBondContact O-N 2.59Å; L68-G70 VanDerWaalsContact C-N 3.29Å; L68-G70 PolarHBondContact O-N 3.17Å; L68-L71 HydrophobicContact CD1-CD2 4.18Å; L68-L71 WeakPolarHBondContact O-CA 3.31Å; L68-L71 WeakPolarHBondContact O-CB 3.32Å; L68-L71 PolarHBondContact O-N 3.43Å; L68-L71 VanDerWaalsContact O-N 3.09Å; L68-H72 VanDerWaalsContact O-CG 3.29Å; L68-H72 PolarHBondContact O-N 3.13Å; L68-T282 HydrophobicContact CD2-CG2 3.82Å
69	I	95.2	Very high	91.8	Very high	69 Å²	69	55.7 Å²	55.7	35%	0.354	29%	0.288	S	S	.	.	H	α-helix	trans	-60.3	-42.1	173.7	-60.9	171.9	0	0	0	110.5	A64 T65 D66 L71 H72 A73 L203	A64-I69 HydrophobicContact CB-CG1 4.2Å; T65-I69 PolarHBondContact O-N 3.49Å; T65-I69 VanDerWaalsContact O-N 3.13Å; D66-I69 PolarHBondContact O-N 2.62Å; I69-L71 VanDerWaalsContact C-N 3.35Å; I69-L71 PolarHBondContact O-N 2.98Å; I69-H72 WeakPolarHBondContact O-CB 3.38Å; I69-H72 PolarHBondContact O-N 3.43Å; I69-A73 PolarHBondContact O-N 3.48Å; I69-L203 HydrophobicContact CD1-CD1 4.19Å; I69-L203 HydrophobicContact CG1-CD2 4.21Å
70	G	96.1	Very high	93	Very high	41 Å²	41	51.8 Å²	51.8	42%	0.423	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-40.4	172.9	0	0	0	0	0	113.2	D66 K67 L68 A73 A74	D66-G70 PolarHBondContact O-N 3.05Å; K67-G70 PolarHBondContact O-N 3.14Å; L68-G70 VanDerWaalsContact C-N 3.29Å; L68-G70 PolarHBondContact O-N 3.17Å; G70-A73 PolarHBondContact O-N 3.17Å; G70-A74 WeakPolarHBondContact O-CB 3.24Å; G70-A74 PolarHBondContact O-N 2.98Å
71	L	95.8	Very high	93.8	Very high	17 Å²	17	51 Å²	51	9%	0.089	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-42.4	174.8	-176.5	64.8	0	0	0	111.8	Y48 K67 L68 I69 A74 F75 L341 E342 L345	Y48-L71 HydrophobicContact CD1-CD2 4.32Å; Y48-L71 HydrophobicContact CE1-CB 4.23Å; Y48-L71 HydrophobicContact CE1-CD2 3.94Å; K67-L71 PolarHBondContact O-N 3.37Å; L68-L71 HydrophobicContact CD1-CD2 4.18Å; L68-L71 WeakPolarHBondContact O-CA 3.31Å; L68-L71 WeakPolarHBondContact O-CB 3.32Å; L68-L71 PolarHBondContact O-N 3.43Å; L68-L71 VanDerWaalsContact O-N 3.09Å; I69-L71 VanDerWaalsContact C-N 3.35Å; I69-L71 PolarHBondContact O-N 2.98Å; L71-A74 PolarHBondContact O-N 2.75Å; L71-F75 WeakPolarHBondContact O-CB 3.21Å; L71-F75 PolarHBondContact O-N 2.91Å; L71-L341 HydrophobicContact CD2-CB 4.18Å; L71-E342 HydrophobicContact CD1-CB 4.33Å; L71-E342 HydrophobicContact CD2-CB 4.43Å; L71-L345 HydrophobicContact CD1-CD1 3.65Å
72	H	97	Very high	94.1	Very high	13 Å²	13	51 Å²	51	6%	0.06	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-47.4	175.3	-65.7	164.5	0	0	0	111.9	L68 I69 F75 K76 D285 L288	L68-H72 VanDerWaalsContact O-CG 3.29Å; L68-H72 PolarHBondContact O-N 3.13Å; I69-H72 WeakPolarHBondContact O-CB 3.38Å; I69-H72 PolarHBondContact O-N 3.43Å; H72-F75 WeakPolarHBondContact O-CB 3.5Å; H72-F75 PolarHBondContact O-N 2.85Å; H72-K76 WeakPolarHBondContact O-CB 3.45Å; H72-K76 PolarHBondContact O-N 3.06Å; H72-D285 IonicContact CD2-OD1 3.28Å; H72-D285 IonicContact CE1-OD1 3.26Å; H72-D285 IonicContact NE2-OD1 3.27Å; H72-D285 PolarHBondContact NE2-OD1 3.06Å; H72-L288 HydrophobicContact CB-CD1 3.86Å
73	A	96.1	Very high	94.3	Very high	58 Å²	58	51 Å²	51	48%	0.479	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-47.5	178.2	0	0	0	0	0	111.4	I69 G70 F75 K76 E77	I69-A73 PolarHBondContact O-N 3.48Å; G70-A73 PolarHBondContact O-N 3.17Å; A73-F75 VanDerWaalsContact C-N 3.31Å; A73-F75 PolarHBondContact O-N 2.83Å; A73-K76 PolarHBondContact O-N 2.83Å; A73-E77 WeakPolarHBondContact O-CB 3.32Å; A73-E77 PolarHBondContact O-N 3.1Å
74	A	95.8	Very high	94.3	Very high	37 Å²	37	54.8 Å²	54.8	31%	0.306	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-38.1	176.8	0	0	0	0	0	112.4	G70 L71 R78	G70-A74 WeakPolarHBondContact O-CB 3.24Å; G70-A74 PolarHBondContact O-N 2.98Å; L71-A74 PolarHBondContact O-N 2.75Å; A74-R78 WeakPolarHBondContact O-CB 3.48Å; A74-R78 WeakPolarHBondContact O-CG 3.31Å; A74-R78 PolarHBondContact O-N 2.88Å
75	F	96.1	Very high	94.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-49.2	176.8	-166	-81.7	0	0	0	111.5	L71 H72 A73 L79 L80 L288 Y292 L341 L344 L345	L71-F75 WeakPolarHBondContact O-CB 3.21Å; L71-F75 PolarHBondContact O-N 2.91Å; H72-F75 WeakPolarHBondContact O-CB 3.5Å; H72-F75 PolarHBondContact O-N 2.85Å; A73-F75 VanDerWaalsContact C-N 3.31Å; A73-F75 PolarHBondContact O-N 2.83Å; F75-L79 HydrophobicContact CD1-CD1 4.34Å; F75-L79 HydrophobicContact CD2-CD1 4.03Å; F75-L79 HydrophobicContact CE1-CD1 3.96Å; F75-L79 HydrophobicContact CE2-CD1 3.59Å; F75-L79 HydrophobicContact CG-CD1 4.36Å; F75-L79 HydrophobicContact CZ-CD1 3.56Å; F75-L79 WeakPolarHBondContact O-CB 3.4Å; F75-L79 PolarHBondContact O-N 3.4Å; F75-L80 HydrophobicContact CD1-CG 4.36Å; F75-L80 HydrophobicContact CE1-CD2 4.32Å; F75-L80 HydrophobicContact CE1-CG 4.38Å; F75-L288 HydrophobicContact CD1-CB 4.07Å; F75-L288 HydrophobicContact CD1-CD1 4.5Å; F75-L288 HydrophobicContact CD1-CD2 4.43Å; F75-L288 HydrophobicContact CE1-CB 4.18Å; F75-Y292 HydrophobicContact CE1-CG 4.3Å; F75-Y292 HydrophobicContact CZ-CD1 4.03Å; F75-Y292 HydrophobicContact CZ-CG 4.03Å; F75-L341 HydrophobicContact CD2-CB 4.18Å; F75-L341 HydrophobicContact CD2-CD2 4Å; F75-L341 HydrophobicContact CE2-CB 4.4Å; F75-L341 HydrophobicContact CE2-CD2 3.7Å; F75-L341 HydrophobicContact CZ-CD2 4.09Å; F75-L344 HydrophobicContact CE2-CB 4.14Å; F75-L344 HydrophobicContact CE2-CD1 4.4Å; F75-L345 HydrophobicContact CB-CD1 3.87Å; F75-L345 HydrophobicContact CB-CD2 4.3Å; F75-L345 HydrophobicContact CB-CG 4.34Å; F75-L345 HydrophobicContact CD2-CD1 3.75Å; F75-L345 HydrophobicContact CD2-CD2 3.95Å; F75-L345 HydrophobicContact CD2-CG 3.54Å; F75-L345 HydrophobicContact CE2-CG 4.23Å; F75-L345 HydrophobicContact CG-CD1 4.26Å; F75-L345 HydrophobicContact CG-CD2 4.3Å; F75-L345 HydrophobicContact CG-CG 4.28Å
76	K	95.3	Very high	94.1	Very high	111 Å²	111	59 Å²	59	48%	0.483	30%	0.3	S	S	.	.	I	π-helix	trans	-61.9	-48.3	179.6	-174.4	176.2	179.8	178.7	0	111.7	H72 A73 L80 D81	H72-K76 WeakPolarHBondContact O-CB 3.45Å; H72-K76 PolarHBondContact O-N 3.06Å; A73-K76 PolarHBondContact O-N 2.83Å; K76-L80 HydrophobicContact CG-CB 4.33Å; K76-L80 HydrophobicContact CG-CD1 4.38Å; K76-L80 PolarHBondContact O-N 3.35Å; K76-D81 PolarHBondContact O-N 3.49Å
77	E	94	Very high	93.7	Very high	138 Å²	138	55.3 Å²	55.3	65%	0.645	28%	0.275	S	S	*	.	I	π-helix	trans	-64.4	-48	-177.6	-174.3	-172.9	172.3	0	0	112.4	A73	A73-E77 WeakPolarHBondContact O-CB 3.32Å; A73-E77 PolarHBondContact O-N 3.1Å
78	R	92.9	Very high	93.3	Very high	159 Å²	159	55.2 Å²	55.2	60%	0.6	28%	0.275	S	S	*	.	I	π-helix	trans	-77.1	-33.5	-175	-67.9	-170.1	95.2	-171.1	6.5	113.2	A74 L345	A74-R78 WeakPolarHBondContact O-CB 3.48Å; A74-R78 WeakPolarHBondContact O-CG 3.31Å; A74-R78 PolarHBondContact O-N 2.88Å; R78-L345 HydrophobicContact CB-CD2 4.22Å
79	L	93.4	Very high	92.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-107.5	-69.6	-174.7	-58.6	178.4	0	0	0	111.4	F75 D81 L82 Y83 Y292 L345 Y348	F75-L79 HydrophobicContact CD1-CD1 4.34Å; F75-L79 HydrophobicContact CD2-CD1 4.03Å; F75-L79 HydrophobicContact CE1-CD1 3.96Å; F75-L79 HydrophobicContact CE2-CD1 3.59Å; F75-L79 HydrophobicContact CG-CD1 4.36Å; F75-L79 HydrophobicContact CZ-CD1 3.56Å; F75-L79 WeakPolarHBondContact O-CB 3.4Å; F75-L79 PolarHBondContact O-N 3.4Å; L79-D81 PolarHBondContact O-N 3.02Å; L79-L82 WeakPolarHBondContact O-CB 3.42Å; L79-L82 PolarHBondContact O-N 3.37Å; L79-L82 VanDerWaalsContact O-N 3.1Å; L79-Y83 WeakPolarHBondContact O-CD2 3.23Å; L79-Y83 PolarHBondContact O-N 3.43Å; L79-Y292 HydrophobicContact CB-CD2 4.08Å; L79-Y292 HydrophobicContact CB-CE2 4.12Å; L79-Y292 HydrophobicContact CD1-CD2 4.21Å; L79-Y292 HydrophobicContact CD1-CE1 4.41Å; L79-Y292 HydrophobicContact CD1-CE2 3.96Å; L79-Y292 HydrophobicContact CD2-CE2 4.13Å; L79-Y292 HydrophobicContact CG-CE2 4.3Å; L79-L345 HydrophobicContact CD1-CD2 3.76Å; L79-L345 HydrophobicContact CD1-CG 4.43Å; L79-L345 HydrophobicContact CG-CD2 3.89Å; L79-Y348 HydrophobicContact CD2-CD1 3.3Å; L79-Y348 HydrophobicContact CD2-CD2 3.67Å; L79-Y348 HydrophobicContact CD2-CE1 3.63Å; L79-Y348 HydrophobicContact CD2-CE2 3.98Å; L79-Y348 HydrophobicContact CD2-CG 3.3Å
80	L	93.3	Very high	92.3	Very high	18 Å²	18	56 Å²	56	9%	0.094	28%	0.284	C	S	.	.	I	π-helix	trans	-61.4	-45.1	-167.8	-58.1	-173.2	0	0	0	112.7	F75 K76 L82 Y83 E84 L288 Q291 D296	F75-L80 HydrophobicContact CD1-CG 4.36Å; F75-L80 HydrophobicContact CE1-CD2 4.32Å; F75-L80 HydrophobicContact CE1-CG 4.38Å; K76-L80 HydrophobicContact CG-CB 4.33Å; K76-L80 HydrophobicContact CG-CD1 4.38Å; K76-L80 PolarHBondContact O-N 3.35Å; L80-L82 VanDerWaalsContact C-N 3.26Å; L80-L82 PolarHBondContact O-N 3.5Å; L80-Y83 PolarHBondContact O-N 3.08Å; L80-E84 PolarHBondContact O-N 3.36Å; L80-L288 HydrophobicContact CD1-CD2 3.52Å; L80-Q291 HydrophobicContact CD1-CB 4.42Å; L80-Q291 HydrophobicContact CD1-CG 4.26Å; L80-Q291 HydrophobicContact CD2-CB 4.19Å; L80-Q291 HydrophobicContact CD2-CG 3.86Å; L80-D296 WeakPolarHBondContact CD2-OD2 3.29Å
81	D	94.1	Very high	91.3	Very high	47 Å²	47	56.7 Å²	56.7	25%	0.251	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-32.1	179.5	-70.2	-4.5	0	0	0	111.8	K76 L79 E84 K85	K76-D81 PolarHBondContact O-N 3.49Å; L79-D81 PolarHBondContact O-N 3.02Å; D81-E84 PolarHBondContact O-N 2.98Å; D81-K85 WeakPolarHBondContact O-CB 3.25Å; D81-K85 WeakPolarHBondContact O-CD 3.35Å; D81-K85 WeakPolarHBondContact O-CG 3.39Å; D81-K85 PolarHBondContact O-N 3.08Å
82	L	92.5	Very high	90	Very high	39 Å²	39	59.4 Å²	59.4	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-46.9	175	177.8	65.4	0	0	0	111.1	L79 L80 K85 A86 Y348 P378 F379	L79-L82 WeakPolarHBondContact O-CB 3.42Å; L79-L82 PolarHBondContact O-N 3.37Å; L79-L82 VanDerWaalsContact O-N 3.1Å; L80-L82 VanDerWaalsContact C-N 3.26Å; L80-L82 PolarHBondContact O-N 3.5Å; L82-K85 PolarHBondContact O-N 3.2Å; L82-A86 WeakPolarHBondContact O-CB 3.33Å; L82-A86 PolarHBondContact O-N 2.82Å; L82-Y348 HydrophobicContact CD2-CE1 4.09Å; L82-P378 HydrophobicContact CD2-CG 3.89Å; L82-P378 HydrophobicContact CG-CB 4.31Å; L82-P378 HydrophobicContact CG-CG 4.1Å; L82-F379 HydrophobicContact CD1-CE2 4.08Å; L82-F379 HydrophobicContact CD1-CZ 4.18Å
83	Y	92.8	Very high	88.4	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-68.4	-35	176.9	-79.2	-93.2	0	0	0	112.2	L79 L80 A86 R87 Y292 D296 L297 Y348 S376 P378	L79-Y83 WeakPolarHBondContact O-CD2 3.23Å; L79-Y83 PolarHBondContact O-N 3.43Å; L80-Y83 PolarHBondContact O-N 3.08Å; Y83-A86 PolarHBondContact O-N 3.19Å; Y83-R87 WeakPolarHBondContact O-CG 3.46Å; Y83-R87 PolarHBondContact O-N 3.49Å; Y83-Y292 HydrophobicContact CE2-CD2 4.4Å; Y83-Y292 AromaticContact CE2-CE2 3.91Å; Y83-Y292 HydrophobicContact CE2-CE2 3.91Å; Y83-D296 HydrophobicContact CD1-CB 3.69Å; Y83-D296 HydrophobicContact CD2-CB 4.27Å; Y83-D296 HydrophobicContact CE1-CB 4.13Å; Y83-D296 HydrophobicContact CG-CB 3.75Å; Y83-L297 HydrophobicContact CE1-CD2 4.38Å; Y83-L297 VanDerWaalsContact OH-CD2 3.29Å; Y83-L297 WeakPolarHBondContact OH-CD2 3.47Å; Y83-Y348 PolarHBondContact OH-OH 3.1Å; Y83-S376 WeakPolarHBondContact OH-CB 3.37Å; Y83-S376 PolarHBondContact OH-OG 3.03Å; Y83-P378 HydrophobicContact CD1-CB 3.94Å; Y83-P378 HydrophobicContact CD1-CG 4.41Å; Y83-P378 HydrophobicContact CD2-CG 4.43Å; Y83-P378 HydrophobicContact CE1-CB 3.95Å; Y83-P378 HydrophobicContact CE1-CG 4.01Å; Y83-P378 HydrophobicContact CE2-CB 4.48Å; Y83-P378 HydrophobicContact CE2-CG 3.99Å; Y83-P378 HydrophobicContact CG-CB 4.24Å
84	E	91.3	Very high	86.6	Confident	81 Å²	81	58.2 Å²	58.2	38%	0.379	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-46.4	174.5	-164.8	-168.9	150.6	0	0	111.7	L80 D81 A86 R87 K88	L80-E84 PolarHBondContact O-N 3.36Å; D81-E84 PolarHBondContact O-N 2.98Å; E84-A86 VanDerWaalsContact C-N 3.29Å; E84-A86 PolarHBondContact O-N 2.97Å; E84-R87 PolarHBondContact O-N 3.3Å; E84-K88 WeakPolarHBondContact O-CG 3.22Å; E84-K88 PolarHBondContact O-N 2.84Å; E84-K88 WeakPolarHBondContact OE1-CE 3.46Å; E84-K88 IonicContact OE1-NZ 3.34Å; E84-K88 PolarHBondContact OE1-NZ 2.74Å
85	K	91.7	Very high	84.6	Confident	130 Å²	130	61 Å²	61	57%	0.565	31%	0.309	S	S	*	.	H	α-helix	trans	-56	-46.5	172.9	-75.4	167.5	-174.1	170.2	0	110.6	D81 L82 R87 K88 C89	D81-K85 WeakPolarHBondContact O-CB 3.25Å; D81-K85 WeakPolarHBondContact O-CD 3.35Å; D81-K85 WeakPolarHBondContact O-CG 3.39Å; D81-K85 PolarHBondContact O-N 3.08Å; L82-K85 PolarHBondContact O-N 3.2Å; K85-R87 PolarHBondContact O-N 3Å; K85-K88 PolarHBondContact O-N 2.88Å; K85-C89 PolarHBondContact O-N 3.41Å; K85-C89 VanDerWaalsContact O-N 3.1Å; K85-C89 PolarHBondContact O-SG 3.45Å; K85-C89 VanDerWaalsContact O-SG 3.34Å
86	A	89.7	Confident	82	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-43.5	180	0	0	0	0	0	112.9	L82 Y83 E84 K88 C89 Q90 P378 F379	L82-A86 WeakPolarHBondContact O-CB 3.33Å; L82-A86 PolarHBondContact O-N 2.82Å; Y83-A86 PolarHBondContact O-N 3.19Å; E84-A86 VanDerWaalsContact C-N 3.29Å; E84-A86 PolarHBondContact O-N 2.97Å; A86-K88 PolarHBondContact O-N 3.41Å; A86-C89 WeakPolarHBondContact O-CB 3.48Å; A86-C89 PolarHBondContact O-N 3.49Å; A86-Q90 WeakPolarHBondContact O-CG 3.08Å; A86-Q90 PolarHBondContact O-N 2.99Å; A86-P378 VanDerWaalsContact CB-C 3.47Å; A86-P378 HydrophobicContact CB-CB 3.84Å; A86-P378 WeakPolarHBondContact CB-O 3.46Å; A86-F379 HydrophobicContact CB-CD1 3.61Å; A86-F379 HydrophobicContact CB-CD2 4.45Å; A86-F379 HydrophobicContact CB-CE1 3.75Å; A86-F379 HydrophobicContact CB-CG 3.99Å; A86-F379 HydrophobicContact CB-CZ 4.23Å
87	R	86.5	Confident	79.5	Confident	67 Å²	67	67.4 Å²	67.4	25%	0.253	35%	0.349	S	S	.	.	H	α-helix	trans	-59.5	-42.7	174.2	-79.1	-172	-69.3	-89.4	6.4	112.9	Y83 E84 K85 C89 Q90 A91 D296	Y83-R87 WeakPolarHBondContact O-CG 3.46Å; Y83-R87 PolarHBondContact O-N 3.49Å; E84-R87 PolarHBondContact O-N 3.3Å; K85-R87 PolarHBondContact O-N 3Å; R87-C89 VanDerWaalsContact C-N 3.34Å; R87-C89 PolarHBondContact O-N 2.88Å; R87-Q90 PolarHBondContact O-N 3.48Å; R87-A91 WeakPolarHBondContact O-CB 3.48Å; R87-A91 PolarHBondContact O-N 3.44Å; R87-D296 IonicContact CZ-OD1 2.9Å; R87-D296 IonicContact NH1-OD1 3.32Å; R87-D296 PolarHBondContact NH1-OD1 3.43Å; R87-D296 IonicContact NH2-OD1 2.79Å; R87-D296 PolarHBondContact NH2-OD1 3.47Å
88	K	86.5	Confident	77	Confident	130 Å²	130	65 Å²	65	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-59.6	-44.8	176.6	-72.8	175	-176.3	167	0	110.9	E84 K85 A86 Q90 A91 S92	E84-K88 WeakPolarHBondContact O-CG 3.22Å; E84-K88 PolarHBondContact O-N 2.84Å; E84-K88 WeakPolarHBondContact OE1-CE 3.46Å; E84-K88 IonicContact OE1-NZ 3.34Å; E84-K88 PolarHBondContact OE1-NZ 2.74Å; K85-K88 PolarHBondContact O-N 2.88Å; A86-K88 PolarHBondContact O-N 3.41Å; K88-Q90 PolarHBondContact O-N 3.05Å; K88-A91 PolarHBondContact O-N 3.11Å; K88-S92 PolarHBondContact O-N 3.47Å; K88-S92 VanDerWaalsContact O-N 3.15Å; K88-S92 PolarHBondContact O-OG 3.39Å
89	C	84.8	Confident	74.3	Confident	68 Å²	68	62.2 Å²	62.2	46%	0.459	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-40.4	175.6	-64.5	0	0	0	0	112.9	K85 A86 R87 S92 A93	K85-C89 PolarHBondContact O-N 3.41Å; K85-C89 VanDerWaalsContact O-N 3.1Å; K85-C89 PolarHBondContact O-SG 3.45Å; K85-C89 VanDerWaalsContact O-SG 3.34Å; A86-C89 WeakPolarHBondContact O-CB 3.48Å; A86-C89 PolarHBondContact O-N 3.49Å; R87-C89 VanDerWaalsContact C-N 3.34Å; R87-C89 PolarHBondContact O-N 2.88Å; C89-S92 WeakPolarHBondContact CA-OG 3.38Å; C89-S92 PolarHBondContact O-OG 3.48Å; C89-A93 PolarHBondContact O-N 3.45Å
90	Q	82.2	Confident	71.6	Confident	19 Å²	19	66.4 Å²	66.4	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-65.7	-42.3	178.3	-68.7	165.2	-4.2	0	0	111.9	A86 R87 K88 A93 G94 A155 P378 F379	A86-Q90 WeakPolarHBondContact O-CG 3.08Å; A86-Q90 PolarHBondContact O-N 2.99Å; R87-Q90 PolarHBondContact O-N 3.48Å; K88-Q90 PolarHBondContact O-N 3.05Å; Q90-A93 PolarHBondContact O-N 3.35Å; Q90-G94 PolarHBondContact O-N 2.96Å; Q90-A155 HydrophobicContact CB-CB 4.36Å; Q90-A155 HydrophobicContact CG-CB 3.77Å; Q90-P378 PolarHBondContact NE2-O 3.08Å; Q90-F379 PolarHBondContact NE2-O 2.82Å
91	A	75	Confident	68.9	Low	55 Å²	55	74.2 Å²	74.2	46%	0.455	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-42.2	178	0	0	0	0	0	112.1	R87 K88 A93 G94 N95	R87-A91 WeakPolarHBondContact O-CB 3.48Å; R87-A91 PolarHBondContact O-N 3.44Å; K88-A91 PolarHBondContact O-N 3.11Å; A91-A93 VanDerWaalsContact C-N 3.31Å; A91-A93 PolarHBondContact O-N 2.96Å; A91-G94 PolarHBondContact O-N 3.26Å; A91-N95 PolarHBondContact O-N 2.94Å; A91-N95 VanDerWaalsContact O-N 3.13Å
92	S	69.8	Low	66.3	Low	73 Å²	73	76.8 Å²	76.8	51%	0.51	42%	0.417	S	S	.	.	H	α-helix	trans	-62.7	-37.1	176	49.6	0	0	0	0	112.8	K88 C89	K88-S92 PolarHBondContact O-N 3.47Å; K88-S92 VanDerWaalsContact O-N 3.15Å; K88-S92 PolarHBondContact O-OG 3.39Å; C89-S92 WeakPolarHBondContact CA-OG 3.38Å; C89-S92 PolarHBondContact O-OG 3.48Å
93	A	62.8	Low	63.8	Low	39 Å²	39	78.1 Å²	78.1	32%	0.322	43%	0.425	S	S	.	.	H	α-helix	trans	-72.4	-37.6	177.6	0	0	0	0	0	112.3	C89 Q90 A91 F96 P154	C89-A93 PolarHBondContact O-N 3.45Å; Q90-A93 PolarHBondContact O-N 3.35Å; A91-A93 VanDerWaalsContact C-N 3.31Å; A91-A93 PolarHBondContact O-N 2.96Å; A93-F96 PolarHBondContact O-N 3.38Å; A93-P154 HydrophobicContact CB-CB 4.25Å; A93-P154 HydrophobicContact CB-CG 3.61Å
94	G	57.5	Low	60.9	Low	8 Å²	8	87.9 Å²	87.9	8%	0.082	46%	0.462	C	S	.	.	H	α-helix	trans	-65.7	-37.4	177.7	0	0	0	0	0	113.5	Q90 A91 F96 A97 Q98	Q90-G94 PolarHBondContact O-N 2.96Å; A91-G94 PolarHBondContact O-N 3.26Å; G94-F96 VanDerWaalsContact C-N 3.29Å; G94-F96 PolarHBondContact O-N 3.46Å; G94-A97 PolarHBondContact O-N 2.98Å; G94-Q98 WeakPolarHBondContact O-CG 3.46Å; G94-Q98 PolarHBondContact O-N 3.29Å
95	N	54.5	Low	58.3	Low	95 Å²	95	86.7 Å²	86.7	51%	0.508	47%	0.466	S	S	.	.	H	α-helix	trans	-67	-27.6	178.5	-70.3	-9.6	0	0	0	113.1	A91 A97 Q98	A91-N95 PolarHBondContact O-N 2.94Å; A91-N95 VanDerWaalsContact O-N 3.13Å; N95-A97 VanDerWaalsContact C-N 3.27Å; N95-A97 PolarHBondContact O-N 3.36Å; N95-Q98 WeakPolarHBondContact O-CB 3.35Å; N95-Q98 PolarHBondContact O-N 3.4Å; N95-Q98 VanDerWaalsContact O-N 3.12Å; N95-Q98 PolarHBondContact OD1-OE1 2.92Å; N95-Q98 VanDerWaalsContact OD1-OE1 3.09Å
96	F	42.1	Very low	55.6	Low	180 Å²	180	84.4 Å²	84.4	79%	0.789	45%	0.454	S	S	*	.	H	α-helix	trans	-67.2	-30	174.8	-119.2	-89	0	0	0	112.3	A93 G94 Q98 S99	A93-F96 PolarHBondContact O-N 3.38Å; G94-F96 VanDerWaalsContact C-N 3.29Å; G94-F96 PolarHBondContact O-N 3.46Å; F96-Q98 VanDerWaalsContact C-N 3.33Å; F96-S99 PolarHBondContact O-OG 2.88Å
97	A	41.4	Very low	53.1	Low	65 Å²	65	93.1 Å²	93.1	54%	0.537	49%	0.492	S	S	.	.	H	α-helix	trans	-79.4	-13.1	173.1	0	0	0	0	0	113.3	G94 N95	G94-A97 PolarHBondContact O-N 2.98Å; N95-A97 VanDerWaalsContact C-N 3.27Å; N95-A97 PolarHBondContact O-N 3.36Å
98	Q	42.4	Very low	50.6	Low	88 Å²	88	96.4 Å²	96.4	41%	0.411	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.2	-178.2	-71	172.2	7.2	0	0	114	G94 N95 F96 T100	G94-Q98 WeakPolarHBondContact O-CG 3.46Å; G94-Q98 PolarHBondContact O-N 3.29Å; N95-Q98 WeakPolarHBondContact O-CB 3.35Å; N95-Q98 PolarHBondContact O-N 3.4Å; N95-Q98 VanDerWaalsContact O-N 3.12Å; N95-Q98 PolarHBondContact OD1-OE1 2.92Å; N95-Q98 VanDerWaalsContact OD1-OE1 3.09Å; F96-Q98 VanDerWaalsContact C-N 3.33Å; Q98-T100 VanDerWaalsContact C-N 3.28Å; Q98-T100 PolarHBondContact O-N 2.91Å
99	S	35.8	Very low	48.1	Very low	100 Å²	100	95 Å²	95	70%	0.699	51%	0.512	S	S	*	.			trans	-79.6	3.8	-174.3	63.3	0	0	0	0	115.4	F96	F96-S99 PolarHBondContact O-OG 2.88Å
100	T	36.5	Very low	45.7	Very low	89 Å²	89	96 Å²	96	55%	0.546	53%	0.525	S	S	.	.	S	Bend	trans	-75.6	132.7	171.7	53.2	0	0	0	0	111.3	Q98 L102	Q98-T100 VanDerWaalsContact C-N 3.28Å; Q98-T100 PolarHBondContact O-N 2.91Å; T100-L102 PolarHBondContact O-N 2.92Å
101	E	36.2	Very low	43.3	Very low	181 Å²	181	102 Å²	102	85%	0.846	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.8	-7.1	-176.1	-74.6	178.8	132.9	0	0	117.2
102	L	39.3	Very low	41.1	Very low	101 Å²	101	104.8 Å²	104.8	53%	0.529	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.1	-17.3	-172.8	-81.7	136.9	0	0	0	115.8	T100 R145	T100-L102 PolarHBondContact O-N 2.92Å; L102-R145 PolarHBondContact O-NH1 3.28Å
103	D	40	Very low	39.2	Very low	67 Å²	67	106.1 Å²	106.1	36%	0.358	57%	0.574	S	S	.	*	S	Bend	trans	-87.4	-16.3	-175.8	-103.2	-6.1	0	0	0	115	A105 Y106	D103-A105 PolarHBondContact O-N 3.2Å; D103-Y106 PolarHBondContact O-N 3.39Å; D103-Y106 VanDerWaalsContact O-N 3.09Å
104	R	33.5	Very low	37.5	Very low	209 Å²	209	111.6 Å²	111.6	79%	0.789	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-23.9	174.9	-77.1	-178.6	-179.4	156.4	0.6	112.8
105	A	35.2	Very low	36.1	Very low	56 Å²	56	120.5 Å²	120.5	46%	0.463	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	-25.2	176	0	0	0	0	0	113.7	D103 H108 T109	D103-A105 PolarHBondContact O-N 3.2Å; A105-H108 PolarHBondContact O-N 3.38Å; A105-T109 PolarHBondContact O-N 2.88Å; A105-T109 PolarHBondContact O-OG1 2.67Å
106	Y	35.9	Very low	34.8	Very low	83 Å²	83	121 Å²	121	33%	0.325	64%	0.644	S	S	.	*	H	α-helix	trans	-72.6	-29.9	-178.3	-145.9	-96.4	0	0	0	112.5	D103 H108 T109 P173	D103-Y106 PolarHBondContact O-N 3.39Å; D103-Y106 VanDerWaalsContact O-N 3.09Å; Y106-H108 VanDerWaalsContact C-N 3.32Å; Y106-T109 PolarHBondContact O-OG1 2.94Å; Y106-P173 HydrophobicContact CE1-CG 4.23Å; Y106-P173 WeakPolarHBondContact OH-CD 3.44Å; Y106-P173 WeakPolarHBondContact OH-CG 3.5Å
107	K	36.3	Very low	34.1	Very low	182 Å²	182	120 Å²	120	79%	0.791	65%	0.648	S	S	*	*	H	α-helix	trans	-76.2	-18.2	172.7	-71.6	-178	177.5	177.7	0	113.2
108	H	34.2	Very low	33.6	Very low	137 Å²	137	125.4 Å²	125.4	63%	0.634	66%	0.662	S	S	*	*	H	α-helix	trans	-90.8	-25.4	-179.3	-104	-83.5	0	0	0	114.2	A105 Y106 K111	A105-H108 PolarHBondContact O-N 3.38Å; Y106-H108 VanDerWaalsContact C-N 3.32Å; H108-K111 WeakPolarHBondContact O-CB 3.31Å; H108-K111 PolarHBondContact O-N 3.3Å
109	T	35.1	Very low	32.9	Very low	100 Å²	100	126.3 Å²	126.3	61%	0.613	68%	0.678	S	S	*	*	H	α-helix	trans	-77.3	-19.9	179.2	42.6	0	0	0	0	113.5	A105 Y106 K111	A105-T109 PolarHBondContact O-N 2.88Å; A105-T109 PolarHBondContact O-OG1 2.67Å; Y106-T109 PolarHBondContact O-OG1 2.94Å; T109-K111 PolarHBondContact O-N 3.04Å
110	A	33.9	Very low	32.6	Very low	88 Å²	88	128.3 Å²	128.3	73%	0.727	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-6.4	169.3	0	0	0	0	0	114.1
111	K	30.9	Very low	32.1	Very low	147 Å²	147	131.7 Å²	131.7	64%	0.639	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-0.7	-179.9	-111.3	177.6	179.3	-179	0	114.1	H108 T109 C113	H108-K111 WeakPolarHBondContact O-CB 3.31Å; H108-K111 PolarHBondContact O-N 3.3Å; T109-K111 PolarHBondContact O-N 3.04Å; K111-C113 PolarHBondContact O-N 2.86Å
112	C	29.1	Very low	31.8	Very low	112 Å²	112	128.7 Å²	128.7	76%	0.757	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	50.6	-172.1	-136.9	0	0	0	0	113.1
113	C	30.7	Very low	31.2	Very low	101 Å²	101	129.4 Å²	129.4	68%	0.682	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.4	28.9	167.9	-62.4	0	0	0	0	112.3	K111 F115	K111-C113 PolarHBondContact O-N 2.86Å; C113-F115 PolarHBondContact O-N 3.48Å
114	L	26.2	Very low	30.7	Very low	155 Å²	155	131.7 Å²	131.7	81%	0.812	74%	0.735	S	S	*	*			trans	-85.9	88.9	168.5	-79.2	159.6	0	0	0	107.9	S116	L114-S116 PolarHBondContact O-N 3.46Å
115	F	28.4	Very low	30.3	Very low	194 Å²	194	127.5 Å²	127.5	85%	0.851	74%	0.737	S	S	*	*			trans	-68.2	125.2	160.6	-87.2	-82.3	0	0	0	108.3	C113 D117	C113-F115 PolarHBondContact O-N 3.48Å; F115-D117 PolarHBondContact O-N 3.09Å
116	S	28.1	Very low	29.9	Very low	105 Å²	105	130.1 Å²	130.1	73%	0.734	75%	0.752	S	S	*	*			trans	-65.4	116.3	163.8	47.7	0	0	0	0	109.2	L114 Q118	L114-S116 PolarHBondContact O-N 3.46Å; S116-Q118 PolarHBondContact O-N 3.05Å
117	D	26.9	Very low	29.5	Very low	160 Å²	160	131.8 Å²	131.8	86%	0.856	78%	0.776	S	S	*	*			trans	-61	106.9	155.8	-74.3	-42	0	0	0	108.1	F115	F115-D117 PolarHBondContact O-N 3.09Å
118	Q	30.9	Very low	29.1	Very low	179 Å²	179	126.3 Å²	126.3	84%	0.836	77%	0.771	S	S	*	*			trans	-156.5	108.7	154.3	-109.5	168.9	47.2	0	0	109.9	S116	S116-Q118 PolarHBondContact O-N 3.05Å
119	S	27.1	Very low	28.7	Very low	106 Å²	106	129.6 Å²	129.6	74%	0.741	79%	0.786	S	S	*	*			trans	-40.2	131.3	159	50.4	0	0	0	0	112.7
120	T	29.2	Very low	28.3	Very low	143 Å²	143	129.3 Å²	129.3	88%	0.877	80%	0.795	S	S	*	*				-179.4	139.8	129.3	30.3	0	0	0	0	111.5
121	N	26.3	Very low	27.9	Very low	159 Å²	159	130.1 Å²	130.1	85%	0.85	80%	0.795	S	S	*	*			trans	-53	136.6	174.8	-68.9	-35	0	0	0	113.2
122	S	29.6	Very low	27.6	Very low	119 Å²	119	131.4 Å²	131.4	83%	0.832	81%	0.809	S	S	*	*				-176.9	129.9	126	37.3	0	0	0	0	111.6
123	S	26.5	Very low	27.5	Very low	116 Å²	116	130.9 Å²	130.9	81%	0.811	81%	0.806	S	S	*	*			trans	-52.9	137.2	168	47.7	0	0	0	0	113.5
124	S	29.8	Very low	27.2	Very low	115 Å²	115	128.9 Å²	128.9	80%	0.804	80%	0.802	S	S	*	*				-175.2	132	127.3	38.7	0	0	0	0	112
125	S	25.1	Very low	27.3	Very low	120 Å²	120	128.1 Å²	128.1	84%	0.839	80%	0.804	S	S	*	*			trans	-45.9	133.7	165.3	48	0	0	0	0	114.2
126	S	28.4	Very low	27.6	Very low	112 Å²	112	124.3 Å²	124.3	78%	0.783	80%	0.797	S	S	*	*			trans	-160.9	111.1	144.1	-173.8	0	0	0	0	110.6
127	S	26.1	Very low	27.8	Very low	118 Å²	118	123.9 Å²	123.9	83%	0.825	79%	0.794	S	S	*	*			trans	-46.3	127.3	159	45.2	0	0	0	0	111.8
128	G	28.4	Very low	28.4	Very low	66 Å²	66	118.2 Å²	118.2	68%	0.68	77%	0.774	S	S	*	*			trans	-151.9	99.5	172.5	0	0	0	0	0	109.9	A130	G128-A130 PolarHBondContact O-N 3.41Å; G128-A130 VanDerWaalsContact O-N 3.13Å
129	E	24.9	Very low	29.3	Very low	206 Å²	206	112.4 Å²	112.4	96%	0.963	75%	0.753	S	S	*	*			trans	-51.7	110.4	165.2	-62.9	175.9	156	0	0	109.1
130	A	27.3	Very low	30.8	Very low	95 Å²	95	110.5 Å²	110.5	79%	0.785	73%	0.734	S	S	*	*			trans	-114.6	103.9	174	0	0	0	0	0	109	G128 D132	G128-A130 PolarHBondContact O-N 3.41Å; G128-A130 VanDerWaalsContact O-N 3.13Å; A130-D132 PolarHBondContact O-N 2.93Å
131	S	25.9	Very low	32.4	Very low	104 Å²	104	106.4 Å²	106.4	73%	0.727	71%	0.712	S	S	*	*			trans	-41.3	126.6	169.1	49.4	0	0	0	0	113.4	S133	S131-S133 VanDerWaalsContact C-N 3.28Å; S131-S133 PolarHBondContact O-N 3.02Å
132	D	25.4	Very low	34.3	Very low	175 Å²	175	100.2 Å²	100.2	94%	0.936	68%	0.681	S	S	*	*	S	Bend	trans	-68.4	76.5	173	-162.4	11.4	0	0	0	110.7	A130	A130-D132 PolarHBondContact O-N 2.93Å
133	S	25.5	Very low	36.3	Very low	100 Å²	100	98.9 Å²	98.9	70%	0.699	66%	0.658	S	S	*	*			trans	-159.7	95.8	171.2	63.2	0	0	0	0	111.1	S131	S131-S133 VanDerWaalsContact C-N 3.28Å; S131-S133 PolarHBondContact O-N 3.02Å
134	G	25.9	Very low	38.6	Very low	59 Å²	59	100.8 Å²	100.8	61%	0.608	65%	0.647	S	S	*	*	S	Bend	trans	-177.7	-31.9	172.3	0	0	0	0	0	120.7
135	T	28.1	Very low	40.8	Very low	139 Å²	139	99.7 Å²	99.7	85%	0.853	63%	0.625	S	S	*	*	S	Bend	trans	-97.7	-1.3	-165	33.3	0	0	0	0	116.2
136	T	33.1	Very low	43.3	Very low	115 Å²	115	94.6 Å²	94.6	71%	0.706	59%	0.591	S	S	*	*	S	Bend	trans	-81.2	-17.6	-177.2	39.6	0	0	0	0	115	S139	T136-S139 PolarHBondContact O-OG 3.38Å
137	S	33.5	Very low	45.9	Very low	95 Å²	95	90.6 Å²	90.6	66%	0.664	56%	0.56	S	S	*	*	H	α-helix	trans	-70.3	-35.4	-172.6	64.9	0	0	0	0	114.1	S141	S137-S141 PolarHBondContact O-N 3.42Å
138	G	39.6	Very low	48.6	Very low	42 Å²	42	92.2 Å²	92.2	43%	0.433	55%	0.549	S	S	.	.	H	α-helix	trans	-68.4	-37.5	-178.2	0	0	0	0	0	113.4	S141	G138-S141 PolarHBondContact O-OG 3.32Å
139	S	49.8	Very low	51.3	Low	57 Å²	57	92 Å²	92	40%	0.399	53%	0.528	S	S	.	.	H	α-helix	trans	-70.3	-35.6	-176.9	78.3	0	0	0	0	113.1	T136 R143	T136-S139 PolarHBondContact O-OG 3.38Å; S139-R143 PolarHBondContact O-N 2.87Å
140	D	57.4	Low	54.2	Low	65 Å²	65	82.3 Å²	82.3	35%	0.348	48%	0.483	S	S	.	.	H	α-helix	trans	-75.5	-34.1	-176.6	-160.6	22.1	0	0	0	111.3	R143 R144	D140-R143 PolarHBondContact O-N 2.93Å; D140-R144 WeakPolarHBondContact O-CG 3.5Å; D140-R144 PolarHBondContact O-N 2.85Å; D140-R144 VanDerWaalsContact O-N 3.08Å; D140-R144 IonicContact OD1-NE 3.99Å; D140-R144 IonicContact OD2-CZ 2.85Å; D140-R144 IonicContact OD2-NE 3.65Å; D140-R144 PolarHBondContact OD2-NE 3.39Å; D140-R144 IonicContact OD2-NH2 3.87Å; D140-R144 PolarHBondContact OD2-NH2 2.73Å
141	S	63.2	Low	56.9	Low	58 Å²	58	81.3 Å²	81.3	41%	0.406	46%	0.462	S	S	.	.	H	α-helix	trans	-62.2	-44.5	174.8	74.9	0	0	0	0	112.5	S137 G138 R145	S137-S141 PolarHBondContact O-N 3.42Å; G138-S141 PolarHBondContact O-OG 3.32Å; S141-R145 PolarHBondContact O-N 3.19Å; S141-R145 VanDerWaalsContact O-N 3.16Å
142	S	66	Low	59.8	Low	29 Å²	29	80.7 Å²	80.7	20%	0.203	45%	0.45	C	S	.	.	H	α-helix	trans	-64	-41.9	178.1	-66.9	0	0	0	0	111.6	R145 A146	S142-R145 PolarHBondContact O-N 3.21Å; S142-A146 PolarHBondContact O-N 3.27Å
143	R	72.5	Confident	62.7	Low	91 Å²	91	73.4 Å²	73.4	34%	0.343	41%	0.411	S	S	.	.	H	α-helix	trans	-61.4	-49.2	179.8	-169.4	-169.8	171.1	148.6	6.8	111.9	S139 D140 R145 A146 I147 D171	S139-R143 PolarHBondContact O-N 2.87Å; D140-R143 PolarHBondContact O-N 2.93Å; R143-R145 VanDerWaalsContact C-N 3.28Å; R143-R145 PolarHBondContact O-N 3.13Å; R143-A146 PolarHBondContact O-N 3.42Å; R143-I147 HydrophobicContact CG-CD1 4.27Å; R143-I147 WeakPolarHBondContact O-CG1 3.48Å; R143-I147 PolarHBondContact O-N 3.09Å; R143-I147 VanDerWaalsContact O-N 3.13Å; R143-D171 WeakPolarHBondContact CA-O 3.25Å; R143-D171 HydrophobicContact CG-CB 3.64Å; R143-D171 IonicContact CZ-OD2 3.18Å; R143-D171 IonicContact NE-OD2 3.8Å; R143-D171 PolarHBondContact NE-OD2 3.18Å; R143-D171 VanDerWaalsContact NE-OD2 3.17Å; R143-D171 IonicContact NH1-OD2 2.71Å; R143-D171 IonicContact NH2-OD2 2.77Å; R143-D171 PolarHBondContact NH2-OD2 3.14Å
144	R	74.9	Confident	65.6	Low	156 Å²	156	71.8 Å²	71.8	59%	0.589	40%	0.398	S	S	*	.	H	α-helix	trans	-61.4	-38.6	178.1	-69	177.9	-163.4	-174	4.6	111.7	D140 I147 Y148	D140-R144 WeakPolarHBondContact O-CG 3.5Å; D140-R144 PolarHBondContact O-N 2.85Å; D140-R144 VanDerWaalsContact O-N 3.08Å; D140-R144 IonicContact OD1-NE 3.99Å; D140-R144 IonicContact OD2-CZ 2.85Å; D140-R144 IonicContact OD2-NE 3.65Å; D140-R144 PolarHBondContact OD2-NE 3.39Å; D140-R144 IonicContact OD2-NH2 3.87Å; D140-R144 PolarHBondContact OD2-NH2 2.73Å; R144-I147 PolarHBondContact O-N 2.89Å; R144-Y148 WeakPolarHBondContact O-CB 3.39Å; R144-Y148 PolarHBondContact O-N 3.04Å
145	R	75.7	Confident	68.6	Low	91 Å²	91	69.4 Å²	69.4	34%	0.343	37%	0.372	S	S	.	.	H	α-helix	trans	-65.1	-43.4	178.8	-158.4	-177.5	-65.4	177.3	-1.8	112.1	L102 S141 S142 R143 Y148 R149	L102-R145 PolarHBondContact O-NH1 3.28Å; S141-R145 PolarHBondContact O-N 3.19Å; S141-R145 VanDerWaalsContact O-N 3.16Å; S142-R145 PolarHBondContact O-N 3.21Å; R143-R145 VanDerWaalsContact C-N 3.28Å; R143-R145 PolarHBondContact O-N 3.13Å; R145-Y148 PolarHBondContact O-N 3.3Å; R145-R149 PolarHBondContact O-N 3.42Å
146	A	77.9	Confident	71.5	Confident	14 Å²	14	64.3 Å²	64.3	12%	0.116	34%	0.337	C	S	.	.	H	α-helix	trans	-62.7	-42.8	176.2	0	0	0	0	0	112.3	S142 R143 R149 K150	S142-A146 PolarHBondContact O-N 3.27Å; R143-A146 PolarHBondContact O-N 3.42Å; A146-R149 PolarHBondContact O-N 2.9Å; A146-K150 PolarHBondContact O-N 2.8Å; A146-K150 VanDerWaalsContact O-N 3.14Å
147	I	81.9	Confident	74.3	Confident	27 Å²	27	59.9 Å²	59.9	14%	0.138	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-47.7	175.9	-66.8	166.2	0	0	0	110.6	R143 R144 R149 K150 Q151 W162 D171 V416	R143-I147 HydrophobicContact CG-CD1 4.27Å; R143-I147 WeakPolarHBondContact O-CG1 3.48Å; R143-I147 PolarHBondContact O-N 3.09Å; R143-I147 VanDerWaalsContact O-N 3.13Å; R144-I147 PolarHBondContact O-N 2.89Å; I147-R149 VanDerWaalsContact C-N 3.34Å; I147-R149 PolarHBondContact O-N 3.48Å; I147-K150 PolarHBondContact O-N 2.79Å; I147-Q151 HydrophobicContact CG2-CG 4.26Å; I147-Q151 WeakPolarHBondContact O-CB 3.36Å; I147-Q151 VanDerWaalsContact O-CG 3.31Å; I147-Q151 WeakPolarHBondContact O-CG 3.39Å; I147-Q151 PolarHBondContact O-N 2.97Å; I147-W162 HydrophobicContact CG1-CH2 4.42Å; I147-W162 HydrophobicContact CG2-CH2 4.46Å; I147-W162 HydrophobicContact CG2-CZ2 4.31Å; I147-D171 HydrophobicContact CD1-CB 4.25Å; I147-D171 HydrophobicContact CG1-CB 4.29Å; I147-V416 HydrophobicContact CD1-CG1 3.75Å; I147-V416 HydrophobicContact CG1-CG1 4.34Å
148	Y	84	Confident	76.9	Confident	153 Å²	153	57.2 Å²	57.2	60%	0.6	29%	0.286	S	S	*	.	H	α-helix	trans	-59.9	-43.1	178.7	-178.9	-95.1	0	0	0	112.2	R144 R145 K150 Q151 N152	R144-Y148 WeakPolarHBondContact O-CB 3.39Å; R144-Y148 PolarHBondContact O-N 3.04Å; R145-Y148 PolarHBondContact O-N 3.3Å; Y148-K150 PolarHBondContact O-N 2.86Å; Y148-Q151 PolarHBondContact O-N 2.76Å; Y148-N152 WeakPolarHBondContact CD2-ND2 3.46Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.2Å; Y148-N152 WeakPolarHBondContact CE2-ND2 3.5Å; Y148-N152 PolarHBondContact O-N 3.21Å; Y148-N152 PolarHBondContact O-ND2 2.8Å
149	R	85.8	Confident	79.2	Confident	61 Å²	61	59.2 Å²	59.2	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-58.2	-49.1	177.1	-174.3	-173.5	65.6	72.8	3.8	111.6	R145 A146 I147 Q151 N152 H153 E165 E168	R145-R149 PolarHBondContact O-N 3.42Å; A146-R149 PolarHBondContact O-N 2.9Å; I147-R149 VanDerWaalsContact C-N 3.34Å; I147-R149 PolarHBondContact O-N 3.48Å; R149-Q151 VanDerWaalsContact C-N 3.34Å; R149-N152 PolarHBondContact O-N 3.4Å; R149-H153 PolarHBondContact O-N 2.84Å; R149-E165 IonicContact CZ-OE2 3.89Å; R149-E165 IonicContact NH1-OE1 3.99Å; R149-E165 PolarHBondContact NH1-OE1 3.49Å; R149-E165 IonicContact NH1-OE2 3.71Å; R149-E165 PolarHBondContact NH1-OE2 3.31Å; R149-E165 IonicContact NH2-OE2 3.19Å; R149-E165 PolarHBondContact NH2-OE2 3.37Å; R149-E168 IonicContact CZ-OE2 2.99Å; R149-E168 VanDerWaalsContact NH2-CD 3.28Å; R149-E168 IonicContact NH2-OE1 2.63Å; R149-E168 PolarHBondContact NH2-OE1 3.27Å; R149-E168 IonicContact NH2-OE2 3.5Å; R149-E168 PolarHBondContact NH2-OE2 3.18Å
150	K	85	Confident	80.9	Confident	2 Å²	2	58 Å²	58	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-33.7	179.9	-75.2	-178.2	168.9	-176	0	112.5	A146 I147 Y148 N152 H153 W162 F163 E165 E168 M169	A146-K150 PolarHBondContact O-N 2.8Å; A146-K150 VanDerWaalsContact O-N 3.14Å; I147-K150 PolarHBondContact O-N 2.79Å; Y148-K150 PolarHBondContact O-N 2.86Å; K150-N152 VanDerWaalsContact C-N 3.28Å; K150-N152 PolarHBondContact O-N 3.26Å; K150-H153 PolarHBondContact O-N 3.23Å; K150-W162 HydrophobicContact CB-CE3 4.45Å; K150-W162 HydrophobicContact CB-CH2 3.85Å; K150-W162 HydrophobicContact CB-CZ3 3.73Å; K150-W162 HydrophobicContact CD-CE3 3.92Å; K150-W162 HydrophobicContact CD-CH2 3.98Å; K150-W162 HydrophobicContact CD-CZ3 3.18Å; K150-W162 HydrophobicContact CG-CZ3 4.09Å; K150-F163 HydrophobicContact CB-CZ 4.32Å; K150-F163 HydrophobicContact CG-CE2 4.45Å; K150-F163 HydrophobicContact CG-CZ 4.29Å; K150-E165 WeakPolarHBondContact CE-OE2 3.44Å; K150-E165 IonicContact NZ-OE2 3.24Å; K150-E168 WeakPolarHBondContact CE-OE2 3.45Å; K150-E168 IonicContact NZ-OE2 2.76Å; K150-M169 PolarHBondContact NZ-O 3.43Å
151	Q	84.8	Confident	82.4	Confident	75 Å²	75	55 Å²	55	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-36.9	177.3	-79.6	178.1	-16.3	0	0	112.9	I147 Y148 R149 R156	I147-Q151 HydrophobicContact CG2-CG 4.26Å; I147-Q151 WeakPolarHBondContact O-CB 3.36Å; I147-Q151 VanDerWaalsContact O-CG 3.31Å; I147-Q151 WeakPolarHBondContact O-CG 3.39Å; I147-Q151 PolarHBondContact O-N 2.97Å; Y148-Q151 PolarHBondContact O-N 2.76Å; R149-Q151 VanDerWaalsContact C-N 3.34Å; Q151-R156 WeakPolarHBondContact O-CD 3.28Å; Q151-R156 PolarHBondContact O-NH1 2.75Å
152	N	86.2	Confident	83.6	Confident	91 Å²	91	52.2 Å²	52.2	49%	0.487	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	13.3	-177.5	-63.7	-62.2	0	0	0	113.7	Y148 R149 K150	Y148-N152 WeakPolarHBondContact CD2-ND2 3.46Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.2Å; Y148-N152 WeakPolarHBondContact CE2-ND2 3.5Å; Y148-N152 PolarHBondContact O-N 3.21Å; Y148-N152 PolarHBondContact O-ND2 2.8Å; R149-N152 PolarHBondContact O-N 3.4Å; K150-N152 VanDerWaalsContact C-N 3.28Å; K150-N152 PolarHBondContact O-N 3.26Å
153	H	86.2	Confident	84.8	Confident	21 Å²	21	50.9 Å²	50.9	10%	0.097	24%	0.236	C	C	.	.			trans	-65.5	129.7	-178.6	-171.7	-78.5	0	0	0	110.9	R149 K150 A155 R156 F163	R149-H153 PolarHBondContact O-N 2.84Å; K150-H153 PolarHBondContact O-N 3.23Å; H153-A155 VanDerWaalsContact C-N 3.3Å; H153-A155 PolarHBondContact ND1-N 3.38Å; H153-A155 VanDerWaalsContact ND1-N 3.17Å; H153-A155 PolarHBondContact O-N 2.95Å; H153-R156 HydrophobicContact CB-CB 4.43Å; H153-R156 WeakPolarHBondContact O-CB 3.44Å; H153-R156 PolarHBondContact O-N 2.75Å; H153-F163 HydrophobicContact CB-CE1 3.92Å; H153-F163 HydrophobicContact CB-CZ 3.58Å; H153-F163 AromaticContact CG-CZ 3.65Å
154	P	86.1	Confident	85.7	Confident	67 Å²	67	46.7 Å²	46.7	44%	0.435	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-30.3	-171	23.2	-34.1	0	0	0	114.1	A93 R156	A93-P154 HydrophobicContact CB-CB 4.25Å; A93-P154 HydrophobicContact CB-CG 3.61Å; P154-R156 VanDerWaalsContact C-N 3.28Å; P154-R156 PolarHBondContact O-N 3.34Å
155	A	88.5	Confident	86.4	Confident	8 Å²	8	40.4 Å²	40.4	7%	0.066	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.9	177	0	0	0	0	0	114	Q90 H153 L157 K380 R381	Q90-A155 HydrophobicContact CB-CB 4.36Å; Q90-A155 HydrophobicContact CG-CB 3.77Å; H153-A155 VanDerWaalsContact C-N 3.3Å; H153-A155 PolarHBondContact ND1-N 3.38Å; H153-A155 VanDerWaalsContact ND1-N 3.17Å; H153-A155 PolarHBondContact O-N 2.95Å; A155-L157 PolarHBondContact O-N 2.8Å; A155-K380 CarbonylContact O-C 3.58Å; A155-K380 WeakPolarHBondContact O-CA 3.36Å; A155-R381 HydrophobicContact CB-CB 4.44Å; A155-R381 HydrophobicContact CB-CG 3.9Å; A155-R381 PolarHBondContact O-N 3.34Å
156	R	90	Very high	87	Confident	32 Å²	32	45 Å²	45	12%	0.121	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-60.6	128.7	-176.1	-169.5	174.6	-167.5	-152.3	-0.9	110.3	Q151 H153 P154 H158 P159 L161 F163 R381	Q151-R156 WeakPolarHBondContact O-CD 3.28Å; Q151-R156 PolarHBondContact O-NH1 2.75Å; H153-R156 HydrophobicContact CB-CB 4.43Å; H153-R156 WeakPolarHBondContact O-CB 3.44Å; H153-R156 PolarHBondContact O-N 2.75Å; P154-R156 VanDerWaalsContact C-N 3.28Å; P154-R156 PolarHBondContact O-N 3.34Å; R156-H158 PolarHBondContact NE-O 2.91Å; R156-P159 PolarHBondContact NH1-O 3.36Å; R156-P159 VanDerWaalsContact NH2-C 3.34Å; R156-P159 PolarHBondContact NH2-O 3.13Å; R156-L161 PolarHBondContact NE-O 3.06Å; R156-L161 PolarHBondContact NH2-O 2.78Å; R156-F163 HydrophobicContact CB-CE1 4.2Å; R156-F163 HydrophobicContact CG-CD1 4.35Å; R156-F163 HydrophobicContact CG-CE1 4.08Å; R156-R381 CarbonylContact C-O 3.49Å; R156-R381 WeakPolarHBondContact CA-O 3.45Å
157	L	90.6	Very high	87.3	Confident	22 Å²	22	46 Å²	46	12%	0.115	23%	0.227	C	C	.	.	S	Bend	trans	-73.5	-43.5	-175.3	-177.7	64.1	0	0	0	111.8	A155 L161 K380 R381 L477 F482	A155-L157 PolarHBondContact O-N 2.8Å; L157-L161 HydrophobicContact CD2-CD1 4.04Å; L157-L161 HydrophobicContact CG-CD1 4.5Å; L157-K380 HydrophobicContact CB-CB 4.23Å; L157-K380 HydrophobicContact CD1-CB 3.76Å; L157-K380 HydrophobicContact CD1-CG 3.91Å; L157-R381 WeakPolarHBondContact CB-O 3.44Å; L157-R381 PolarHBondContact N-O 2.75Å; L157-L477 HydrophobicContact CD1-CD1 4.09Å; L157-L477 HydrophobicContact CD1-CD2 4.41Å; L157-L477 HydrophobicContact CD2-CD1 3.73Å; L157-L477 HydrophobicContact CG-CD1 3.75Å; L157-L477 HydrophobicContact CG-CD2 4.37Å; L157-F482 HydrophobicContact CD1-CE2 4.41Å; L157-F482 HydrophobicContact CD1-CZ 3.76Å; L157-F482 HydrophobicContact CD2-CZ 4.15Å
158	H	89.9	Confident	87.5	Confident	39 Å²	39	47.3 Å²	47.3	18%	0.181	23%	0.233	C	C	.	.			trans	-151.8	146	-178.8	-169.3	-96.5	0	0	0	111.5	R156 D160 L161 I475 L477	R156-H158 PolarHBondContact NE-O 2.91Å; H158-D160 IonicContact CE1-OD2 3.74Å; H158-D160 PolarHBondContact CE1-OD2 3.24Å; H158-D160 PolarHBondContact ND1-N 2.96Å; H158-D160 VanDerWaalsContact ND1-N 3.13Å; H158-D160 IonicContact ND1-OD2 3.17Å; H158-D160 PolarHBondContact O-N 2.85Å; H158-D160 VanDerWaalsContact O-N 3.15Å; H158-L161 HydrophobicContact CB-CB 4.28Å; H158-L161 HydrophobicContact CB-CD1 3.89Å; H158-L161 HydrophobicContact CB-CG 3.99Å; H158-L161 PolarHBondContact O-N 3.4Å; H158-L161 VanDerWaalsContact O-N 3.15Å; H158-I475 HydrophobicContact CB-CG2 4.18Å; H158-L477 HydrophobicContact CB-CD2 4.39Å
159	P	86.4	Confident	87.6	Confident	85 Å²	85	42.4 Å²	42.4	55%	0.552	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.9	178.7	-27.5	36.2	0	0	0	116.1	R156	R156-P159 PolarHBondContact NH1-O 3.36Å; R156-P159 VanDerWaalsContact NH2-C 3.34Å; R156-P159 PolarHBondContact NH2-O 3.13Å
160	D	86.4	Confident	87.6	Confident	30 Å²	30	39.7 Å²	39.7	16%	0.16	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-7.1	179.2	-68.9	-48	0	0	0	114.6	H158 R413 P414 V473	H158-D160 IonicContact CE1-OD2 3.74Å; H158-D160 PolarHBondContact CE1-OD2 3.24Å; H158-D160 PolarHBondContact ND1-N 2.96Å; H158-D160 VanDerWaalsContact ND1-N 3.13Å; H158-D160 IonicContact ND1-OD2 3.17Å; H158-D160 PolarHBondContact O-N 2.85Å; H158-D160 VanDerWaalsContact O-N 3.15Å; D160-R413 IonicContact OD1-CZ 2.74Å; D160-R413 IonicContact OD1-NE 3.36Å; D160-R413 PolarHBondContact OD1-NE 3.33Å; D160-R413 IonicContact OD1-NH2 2.75Å; D160-R413 PolarHBondContact OD1-NH2 3.49Å; D160-R413 IonicContact OD2-NH2 2.8Å; D160-R413 PolarHBondContact OD2-NH2 2.89Å; D160-P414 WeakPolarHBondContact O-CD 3.4Å; D160-V473 HydrophobicContact CB-CG1 4.31Å; D160-V473 HydrophobicContact CB-CG2 4.06Å; D160-V473 WeakPolarHBondContact OD2-CG2 3.38Å
161	L	87.8	Confident	87.3	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.215	C	C	.	.			trans	-95.8	148.3	176.4	-65.7	177.5	0	0	0	110.8	R156 L157 H158 P382 L385 I475	R156-L161 PolarHBondContact NE-O 3.06Å; R156-L161 PolarHBondContact NH2-O 2.78Å; L157-L161 HydrophobicContact CD2-CD1 4.04Å; L157-L161 HydrophobicContact CG-CD1 4.5Å; H158-L161 HydrophobicContact CB-CB 4.28Å; H158-L161 HydrophobicContact CB-CD1 3.89Å; H158-L161 HydrophobicContact CB-CG 3.99Å; H158-L161 PolarHBondContact O-N 3.4Å; H158-L161 VanDerWaalsContact O-N 3.15Å; L161-P382 HydrophobicContact CB-CG 4.33Å; L161-P382 HydrophobicContact CD1-CG 4.25Å; L161-L385 HydrophobicContact CD1-CD1 3.58Å; L161-L385 HydrophobicContact CD2-CD1 4.23Å; L161-I475 HydrophobicContact CD1-CD1 4.01Å; L161-I475 HydrophobicContact CD2-CD1 3.32Å; L161-I475 HydrophobicContact CG-CD1 3.5Å; L161-I475 VanDerWaalsContact CG-CD1 3.5Å
162	W	89	Confident	87.2	Confident	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.199	C	C	.	.			trans	-115.7	151.6	170.2	-82.2	72.5	0	0	0	110.5	I147 K150 N170 P414 L417 N554	I147-W162 HydrophobicContact CG1-CH2 4.42Å; I147-W162 HydrophobicContact CG2-CH2 4.46Å; I147-W162 HydrophobicContact CG2-CZ2 4.31Å; K150-W162 HydrophobicContact CB-CE3 4.45Å; K150-W162 HydrophobicContact CB-CH2 3.85Å; K150-W162 HydrophobicContact CB-CZ3 3.73Å; K150-W162 HydrophobicContact CD-CE3 3.92Å; K150-W162 HydrophobicContact CD-CH2 3.98Å; K150-W162 HydrophobicContact CD-CZ3 3.18Å; K150-W162 HydrophobicContact CG-CZ3 4.09Å; W162-N170 HydrophobicContact CD2-CB 4.26Å; W162-N170 HydrophobicContact CE3-CB 3.71Å; W162-N170 VanDerWaalsContact CE3-CG 3.47Å; W162-N170 HydrophobicContact CH2-CB 4.09Å; W162-N170 WeakPolarHBondContact CH2-O 3.35Å; W162-N170 VanDerWaalsContact CZ3-CA 3.43Å; W162-N170 HydrophobicContact CZ3-CB 3.55Å; W162-N170 WeakPolarHBondContact CZ3-O 3.25Å; W162-P414 HydrophobicContact CB-CG 3.94Å; W162-P414 VanDerWaalsContact CD1-CG 3.47Å; W162-P414 HydrophobicContact CG-CB 4.32Å; W162-P414 HydrophobicContact CG-CG 3.89Å; W162-L417 HydrophobicContact CZ2-CD2 4.31Å; W162-L417 VanDerWaalsContact NE1-CG 3.3Å; W162-N554 PolarHBondContact O-ND2 3.23Å
163	F	91.2	Very high	87	Confident	1 Å²	1	35.2 Å²	35.2	0%	0.004	19%	0.187	C	C	.	.			trans	-124.4	161	178.7	57.7	-101.9	0	0	0	109.5	K150 H153 R156 E165 R381 P382	K150-F163 HydrophobicContact CB-CZ 4.32Å; K150-F163 HydrophobicContact CG-CE2 4.45Å; K150-F163 HydrophobicContact CG-CZ 4.29Å; H153-F163 HydrophobicContact CB-CE1 3.92Å; H153-F163 HydrophobicContact CB-CZ 3.58Å; H153-F163 AromaticContact CG-CZ 3.65Å; R156-F163 HydrophobicContact CB-CE1 4.2Å; R156-F163 HydrophobicContact CG-CD1 4.35Å; R156-F163 HydrophobicContact CG-CE1 4.08Å; F163-E165 HydrophobicContact CD2-CG 4.04Å; F163-E165 HydrophobicContact CE2-CG 3.81Å; F163-E165 WeakPolarHBondContact CE2-OE1 3.43Å; F163-R381 HydrophobicContact CB-CB 3.83Å; F163-R381 HydrophobicContact CD1-CB 3.85Å; F163-R381 HydrophobicContact CD2-CB 4.42Å; F163-R381 VanDerWaalsContact CD2-NH2 3.3Å; F163-R381 VanDerWaalsContact CE2-NH1 3.34Å; F163-R381 HydrophobicContact CG-CB 3.78Å; F163-P382 HydrophobicContact CB-CB 4.39Å
164	N	92.5	Very high	86.7	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.011	19%	0.192	C	C	.	.			trans	-99.4	127.9	-169.7	-66.3	-16.6	0	0	0	111.1	E299 Y301 R381 H547 N550 T551	N164-E299 HydrophobicContact CB-CB 3.86Å; N164-E299 WeakPolarHBondContact CB-O 3.41Å; N164-E299 PolarHBondContact N-OE2 3.29Å; N164-E299 PolarHBondContact ND2-O 2.96Å; N164-E299 VanDerWaalsContact ND2-O 3.12Å; N164-Y301 HydrophobicContact CB-CD2 4.42Å; N164-Y301 WeakPolarHBondContact O-CD2 3.36Å; N164-Y301 WeakPolarHBondContact O-CE2 3.35Å; N164-R381 PolarHBondContact O-NH2 3.16Å; N164-H547 HydrophobicContact CB-CB 4.41Å; N164-H547 WeakPolarHBondContact ND2-CA 3.45Å; N164-H547 PolarHBondContact ND2-O 3.44Å; N164-H547 WeakPolarHBondContact OD1-CA 3.24Å; N164-N550 WeakPolarHBondContact OD1-CB 3.47Å; N164-N550 PolarHBondContact OD1-ND2 2.98Å; N164-T551 PolarHBondContact ND2-OG1 3.39Å
165	E	88.9	Confident	86.3	Confident	24 Å²	24	33.3 Å²	33.3	11%	0.112	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-114.5	143.8	175.3	-78.5	178.5	156.6	0	0	110.6	R149 K150 F163 G167 E168 R381 H547	R149-E165 IonicContact CZ-OE2 3.89Å; R149-E165 IonicContact NH1-OE1 3.99Å; R149-E165 PolarHBondContact NH1-OE1 3.49Å; R149-E165 IonicContact NH1-OE2 3.71Å; R149-E165 PolarHBondContact NH1-OE2 3.31Å; R149-E165 IonicContact NH2-OE2 3.19Å; R149-E165 PolarHBondContact NH2-OE2 3.37Å; K150-E165 WeakPolarHBondContact CE-OE2 3.44Å; K150-E165 IonicContact NZ-OE2 3.24Å; F163-E165 HydrophobicContact CD2-CG 4.04Å; F163-E165 HydrophobicContact CE2-CG 3.81Å; F163-E165 WeakPolarHBondContact CE2-OE1 3.43Å; E165-G167 PolarHBondContact O-N 3.35Å; E165-E168 HydrophobicContact CB-CB 4.1Å; E165-E168 PolarHBondContact O-N 3.44Å; E165-E168 VanDerWaalsContact O-N 3.14Å; E165-R381 VanDerWaalsContact CG-NH1 3.32Å; E165-R381 IonicContact OE1-NH1 3.44Å; E165-H547 PolarHBondContact O-CE1 2.97Å; E165-H547 VanDerWaalsContact O-CE1 3.29Å; E165-H547 PolarHBondContact O-NE2 3.33Å
166	R	88.3	Confident	85.7	Confident	187 Å²	187	38.7 Å²	38.7	71%	0.706	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	125.1	-180	-169.9	176.5	-175.1	-179.2	2	110.1	E168 D302	R166-E168 PolarHBondContact O-N 2.67Å; R166-D302 WeakPolarHBondContact CA-OD1 3.49Å
167	G	84.6	Confident	85.1	Confident	37 Å²	37	37.6 Å²	37.6	38%	0.381	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	6.3	179	0	0	0	0	0	115.3	E165 V174 D302	E165-G167 PolarHBondContact O-N 3.35Å; G167-V174 WeakPolarHBondContact O-CG2 3.43Å; G167-V174 PolarHBondContact O-N 3.43Å; G167-D302 PolarHBondContact N-OD1 3.47Å; G167-D302 PolarHBondContact N-OD2 3.27Å
168	E	85	Confident	84.5	Confident	54 Å²	54	39.1 Å²	39.1	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.8	-177.5	-65.1	-161.2	-168.4	0	0	113.5	R149 K150 E165 R166 G172 N544 H547	R149-E168 IonicContact CZ-OE2 2.99Å; R149-E168 VanDerWaalsContact NH2-CD 3.28Å; R149-E168 IonicContact NH2-OE1 2.63Å; R149-E168 PolarHBondContact NH2-OE1 3.27Å; R149-E168 IonicContact NH2-OE2 3.5Å; R149-E168 PolarHBondContact NH2-OE2 3.18Å; K150-E168 WeakPolarHBondContact CE-OE2 3.45Å; K150-E168 IonicContact NZ-OE2 2.76Å; E165-E168 HydrophobicContact CB-CB 4.1Å; E165-E168 PolarHBondContact O-N 3.44Å; E165-E168 VanDerWaalsContact O-N 3.14Å; R166-E168 PolarHBondContact O-N 2.67Å; E168-G172 CarbonylContact C-O 3.58Å; E168-G172 WeakPolarHBondContact CA-O 3.44Å; E168-N544 PolarHBondContact O-ND2 3.2Å; E168-H547 PolarHBondContact O-NE2 3.09Å
169	M	85.8	Confident	84	Confident	49 Å²	49	45.9 Å²	45.9	24%	0.241	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	176.8	161.4	-66.1	-172.4	-177.7	0	0	110.4	K150 D171 G172 V174	K150-M169 PolarHBondContact NZ-O 3.43Å; M169-D171 PolarHBondContact O-N 3.23Å; M169-G172 WeakPolarHBondContact CA-O 3.5Å; M169-G172 PolarHBondContact N-O 3.15Å; M169-V174 HydrophobicContact CE-CB 4.28Å; M169-V174 HydrophobicContact CE-CG1 3.89Å; M169-V174 HydrophobicContact CE-CG2 4.46Å; M169-V174 HydrophobicContact CG-CB 4.37Å; M169-V174 HydrophobicContact CG-CG2 3.8Å
170	N	85.5	Confident	83.7	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.6	178.1	-69.7	-24.2	0	0	0	112.6	W162 V416 D546 N550	W162-N170 HydrophobicContact CD2-CB 4.26Å; W162-N170 HydrophobicContact CE3-CB 3.71Å; W162-N170 VanDerWaalsContact CE3-CG 3.47Å; W162-N170 HydrophobicContact CH2-CB 4.09Å; W162-N170 WeakPolarHBondContact CH2-O 3.35Å; W162-N170 VanDerWaalsContact CZ3-CA 3.43Å; W162-N170 HydrophobicContact CZ3-CB 3.55Å; W162-N170 WeakPolarHBondContact CZ3-O 3.25Å; N170-V416 HydrophobicContact CB-CG2 4.35Å; N170-D546 VanDerWaalsContact CB-OD2 3.26Å; N170-D546 WeakPolarHBondContact CB-OD2 3.26Å; N170-D546 PolarHBondContact N-OD2 3.43Å; N170-D546 PolarHBondContact ND2-OD2 3.22Å; N170-N550 PolarHBondContact ND2-OD1 3.44Å; N170-N550 VanDerWaalsContact ND2-OD1 3.08Å; N170-N550 PolarHBondContact OD1-ND2 3.13Å
171	D	79.7	Confident	83.3	Confident	37 Å²	37	50.1 Å²	50.1	20%	0.198	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	16.9	-172.4	72.8	-28.2	0	0	0	114.2	R143 I147 M169	R143-D171 WeakPolarHBondContact CA-O 3.25Å; R143-D171 HydrophobicContact CG-CB 3.64Å; R143-D171 IonicContact CZ-OD2 3.18Å; R143-D171 IonicContact NE-OD2 3.8Å; R143-D171 PolarHBondContact NE-OD2 3.18Å; R143-D171 VanDerWaalsContact NE-OD2 3.17Å; R143-D171 IonicContact NH1-OD2 2.71Å; R143-D171 IonicContact NH2-OD2 2.77Å; R143-D171 PolarHBondContact NH2-OD2 3.14Å; I147-D171 HydrophobicContact CD1-CB 4.25Å; I147-D171 HydrophobicContact CG1-CB 4.29Å; M169-D171 PolarHBondContact O-N 3.23Å
172	G	82.6	Confident	83	Confident	3 Å²	3	55 Å²	55	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.3	-161.2	176.1	0	0	0	0	0	113	E168 M169	E168-G172 CarbonylContact C-O 3.58Å; E168-G172 WeakPolarHBondContact CA-O 3.44Å; M169-G172 WeakPolarHBondContact CA-O 3.5Å; M169-G172 PolarHBondContact N-O 3.15Å
173	P	82.4	Confident	82.6	Confident	34 Å²	34	59.4 Å²	59.4	22%	0.221	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	147.1	-179.8	29.2	-36.1	0	0	0	111.7	Y106 C175	Y106-P173 HydrophobicContact CE1-CG 4.23Å; Y106-P173 WeakPolarHBondContact OH-CD 3.44Å; Y106-P173 WeakPolarHBondContact OH-CG 3.5Å; P173-C175 VanDerWaalsContact C-N 3.31Å; P173-C175 PolarHBondContact O-N 3.1Å
174	V	79.7	Confident	82.2	Confident	34 Å²	34	66.3 Å²	66.3	21%	0.206	31%	0.307	C	S	.	.	S	Bend	trans	-61.7	-37	-180	172.4	0	0	0	0	113	G167 M169 N544	G167-V174 WeakPolarHBondContact O-CG2 3.43Å; G167-V174 PolarHBondContact O-N 3.43Å; M169-V174 HydrophobicContact CE-CB 4.28Å; M169-V174 HydrophobicContact CE-CG1 3.89Å; M169-V174 HydrophobicContact CE-CG2 4.46Å; M169-V174 HydrophobicContact CG-CB 4.37Å; M169-V174 HydrophobicContact CG-CG2 3.8Å; V174-N544 HydrophobicContact CG2-CB 4.44Å; V174-N544 WeakPolarHBondContact CG2-ND2 3.23Å
175	C	77.1	Confident	81.9	Confident	14 Å²	14	66.3 Å²	66.3	10%	0.095	31%	0.308	C	S	.	.			trans	-131.8	137.3	-174.8	172	0	0	0	0	110.2	P173 C177 R182 H188	P173-C175 VanDerWaalsContact C-N 3.31Å; P173-C175 PolarHBondContact O-N 3.1Å; C175-C177 WeakPolarHBondContact SG-CB 3.48Å; C175-C177 PolarHBondContact SG-N 3.41Å; C175-C177 PolarHBondContact SG-SG 2.88Å; C175-R182 PolarHBondContact O-NH2 2.92Å; C175-H188 PolarHBondContact SG-NE2 3.06Å
176	R	76.4	Confident	81.8	Confident	121 Å²	121	65.3 Å²	65.3	46%	0.457	30%	0.304	S	S	.	.			trans	-110.5	5.7	175.7	-61.3	-175.5	-176.1	-159.2	1.4	113.1
177	C	76.6	Confident	81.6	Confident	9 Å²	9	57.6 Å²	57.6	6%	0.061	28%	0.28	C	S	.	.			trans	-60.9	152.5	176.7	-59.6	0	0	0	0	111.8	C175 A181 R182 H661	C175-C177 WeakPolarHBondContact SG-CB 3.48Å; C175-C177 PolarHBondContact SG-N 3.41Å; C175-C177 PolarHBondContact SG-SG 2.88Å; C177-A181 HydrophobicContact CB-CB 3.88Å; C177-R182 HydrophobicContact CB-CG 4.23Å; C177-R182 PolarHBondContact O-NE 3.17Å; C177-H661 PolarHBondContact SG-CD2 2.95Å
178	C	78	Confident	81.5	Confident	54 Å²	54	57.3 Å²	57.3	37%	0.365	27%	0.268	S	S	.	.			trans	-61.1	159.4	172	72.4	0	0	0	0	110.9	K180 A181 R182	C178-K180 VanDerWaalsContact C-N 3.26Å; C178-K180 PolarHBondContact O-N 3.37Å; C178-A181 PolarHBondContact O-N 3.39Å; C178-A181 VanDerWaalsContact O-N 3.16Å; C178-R182 PolarHBondContact O-N 3.18Å; C178-R182 VanDerWaalsContact O-N 3.14Å
179	W	79.3	Confident	81.5	Confident	182 Å²	182	57 Å²	57	69%	0.689	27%	0.265	S	S	*	.	H	α-helix	trans	-57	-39.2	-177.5	178.4	89	0	0	0	112.7	A181 R182 Q183	W179-A181 PolarHBondContact O-N 3.04Å; W179-R182 PolarHBondContact O-N 3.3Å; W179-Q183 HydrophobicContact CD2-CG 4.31Å; W179-Q183 VanDerWaalsContact CE2-NE2 3.34Å; W179-Q183 HydrophobicContact CE3-CG 4.39Å; W179-Q183 HydrophobicContact CH2-CG 4.08Å; W179-Q183 HydrophobicContact CZ2-CG 3.99Å; W179-Q183 HydrophobicContact CZ3-CG 4.28Å; W179-Q183 WeakPolarHBondContact O-CG 3.37Å; W179-Q183 PolarHBondContact O-N 3.4Å
180	K	80.9	Confident	81.7	Confident	168 Å²	168	56.2 Å²	56.2	73%	0.73	26%	0.262	S	S	*	.	H	α-helix	trans	-59.1	-45.8	177.8	-69	-177.4	178.7	179.2	0	112.1	C178 R182 Q183	C178-K180 VanDerWaalsContact C-N 3.26Å; C178-K180 PolarHBondContact O-N 3.37Å; K180-R182 VanDerWaalsContact C-N 3.31Å; K180-R182 PolarHBondContact O-N 3.09Å; K180-Q183 PolarHBondContact O-N 2.75Å
181	A	79	Confident	82	Confident	35 Å²	35	56.4 Å²	56.4	29%	0.289	26%	0.262	S	S	.	.	H	α-helix	trans	-66.8	-32	178.4	0	0	0	0	0	112.4	C177 C178 W179 Q183 R184 H188	C177-A181 HydrophobicContact CB-CB 3.88Å; C178-A181 PolarHBondContact O-N 3.39Å; C178-A181 VanDerWaalsContact O-N 3.16Å; W179-A181 PolarHBondContact O-N 3.04Å; A181-Q183 PolarHBondContact O-N 3.37Å; A181-R184 PolarHBondContact O-N 2.86Å; A181-H188 PolarHBondContact O-CE1 3.25Å; A181-H188 PolarHBondContact O-ND1 3.36Å; A181-H188 VanDerWaalsContact O-ND1 3.11Å
182	R	79.7	Confident	82.6	Confident	106 Å²	106	55.4 Å²	55.4	40%	0.4	26%	0.259	S	S	.	.	H	α-helix	trans	-67.6	-15.1	175.9	-67.6	-179.5	-177.1	-172.7	-1.3	114.6	C175 C177 C178 W179 K180 R184 I190	C175-R182 PolarHBondContact O-NH2 2.92Å; C177-R182 HydrophobicContact CB-CG 4.23Å; C177-R182 PolarHBondContact O-NE 3.17Å; C178-R182 PolarHBondContact O-N 3.18Å; C178-R182 VanDerWaalsContact O-N 3.14Å; W179-R182 PolarHBondContact O-N 3.3Å; K180-R182 VanDerWaalsContact C-N 3.31Å; K180-R182 PolarHBondContact O-N 3.09Å; R182-R184 VanDerWaalsContact C-N 3.31Å; R182-I190 VanDerWaalsContact O-CD1 3.31Å; R182-I190 WeakPolarHBondContact O-CD1 3.12Å
183	Q	82.5	Confident	82.9	Confident	93 Å²	93	57.9 Å²	57.9	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.6	178.7	-61.7	-56.6	-38.3	0	0	113.2	W179 K180 A181 I190	W179-Q183 HydrophobicContact CD2-CG 4.31Å; W179-Q183 VanDerWaalsContact CE2-NE2 3.34Å; W179-Q183 HydrophobicContact CE3-CG 4.39Å; W179-Q183 HydrophobicContact CH2-CG 4.08Å; W179-Q183 HydrophobicContact CZ2-CG 3.99Å; W179-Q183 HydrophobicContact CZ3-CG 4.28Å; W179-Q183 WeakPolarHBondContact O-CG 3.37Å; W179-Q183 PolarHBondContact O-N 3.4Å; K180-Q183 PolarHBondContact O-N 2.75Å; A181-Q183 PolarHBondContact O-N 3.37Å; Q183-I190 WeakPolarHBondContact O-CD1 3.4Å
184	R	82.8	Confident	83.2	Confident	145 Å²	145	58.5 Å²	58.5	55%	0.547	29%	0.285	S	S	.	.	S	Bend	trans	-140.2	158.6	-177.4	-59.5	-175.7	-175.4	175.8	-2.4	112	A181 R182 H188	A181-R184 PolarHBondContact O-N 2.86Å; R182-R184 VanDerWaalsContact C-N 3.31Å; R184-H188 PolarHBondContact O-ND1 2.72Å
185	G	84.4	Confident	83.7	Confident	3 Å²	3	64.7 Å²	64.7	3%	0.031	31%	0.309	C	S	.	.	S	Bend	trans	89.2	149.8	168.5	0	0	0	0	0	116	A187 H188 I190	G185-A187 PolarHBondContact O-N 2.83Å; G185-H188 PolarHBondContact O-N 3.32Å; G185-I190 CarbonylContact C-O 3.57Å; G185-I190 PolarHBondContact O-N 2.84Å
186	V	88	Confident	84.3	Confident	3 Å²	3	68.2 Å²	68.2	2%	0.018	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-57.6	-30.9	177.9	176.3	0	0	0	0	112.3	H188 Y189 I190 F191 H503 F507 E655 L658	V186-H188 PolarHBondContact O-N 2.9Å; V186-Y189 WeakPolarHBondContact O-CA 3.27Å; V186-Y189 PolarHBondContact O-N 2.86Å; V186-I190 PolarHBondContact N-O 3.3Å; V186-F191 HydrophobicContact CG1-CD1 4.47Å; V186-F191 HydrophobicContact CG1-CE1 3.81Å; V186-F191 HydrophobicContact CG1-CZ 4.29Å; V186-F191 HydrophobicContact CG2-CD1 4.16Å; V186-F191 HydrophobicContact CG2-CE1 4.29Å; V186-H503 VanDerWaalsContact CG1-CE1 3.41Å; V186-H503 WeakPolarHBondContact CG1-CE1 3.42Å; V186-F507 HydrophobicContact CG1-CD2 4.37Å; V186-F507 HydrophobicContact CG2-CD2 3.88Å; V186-F507 HydrophobicContact CG2-CE2 4.2Å; V186-E655 WeakPolarHBondContact CG2-O 3.33Å; V186-E655 PolarHBondContact N-O 3.16Å; V186-L658 HydrophobicContact CB-CD2 4.33Å; V186-L658 HydrophobicContact CG1-CD2 3.7Å
187	A	83.2	Confident	84.9	Confident	25 Å²	25	64.2 Å²	64.2	21%	0.207	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-64	-21.6	178.6	0	0	0	0	0	113.4	G185 Y659 H661	G185-A187 PolarHBondContact O-N 2.83Å; A187-Y659 HydrophobicContact CB-CE1 4.14Å; A187-Y659 HydrophobicContact CB-CE2 4.28Å; A187-H661 WeakPolarHBondContact CB-CE1 3.45Å; A187-H661 PolarHBondContact O-CE1 3.15Å
188	H	82.3	Confident	85.6	Confident	31 Å²	31	71.9 Å²	71.9	14%	0.144	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-101.5	13.4	173.2	-59.6	109.9	0	0	0	112.8	C175 A181 R184 G185 V186 I190 H661	C175-H188 PolarHBondContact SG-NE2 3.06Å; A181-H188 PolarHBondContact O-CE1 3.25Å; A181-H188 PolarHBondContact O-ND1 3.36Å; A181-H188 VanDerWaalsContact O-ND1 3.11Å; R184-H188 PolarHBondContact O-ND1 2.72Å; G185-H188 PolarHBondContact O-N 3.32Å; V186-H188 PolarHBondContact O-N 2.9Å; H188-I190 HydrophobicContact CB-CD1 4.17Å; H188-I190 HydrophobicContact CB-CG1 4.13Å; H188-I190 PolarHBondContact O-N 2.94Å; H188-H661 AromaticContact CD2-CE1 3.59Å; H188-H661 AromaticContact CE1-CE1 3.59Å; H188-H661 AromaticContact CE1-NE2 3.25Å; H188-H661 PolarHBondContact CE1-NE2 3.26Å; H188-H661 AromaticContact NE2-CE1 3.26Å; H188-H661 PolarHBondContact NE2-CE1 3.39Å; H188-H661 VanDerWaalsContact NE2-CE1 3.26Å; H188-H661 AromaticContact NE2-NE2 3.21Å; H188-H661 PolarHBondContact NE2-NE2 3.1Å
189	Y	86	Confident	86.3	Confident	47 Å²	47	72 Å²	72	18%	0.184	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	32.9	-172.8	-48.5	-95.6	0	0	0	113.7	V186 A542 T543 N544	V186-Y189 WeakPolarHBondContact O-CA 3.27Å; V186-Y189 PolarHBondContact O-N 2.86Å; Y189-A542 VanDerWaalsContact CE1-O 3.32Å; Y189-A542 WeakPolarHBondContact CE1-O 3.46Å; Y189-T543 VanDerWaalsContact OH-C 3.32Å; Y189-T543 WeakPolarHBondContact OH-CA 3.39Å; Y189-T543 WeakPolarHBondContact OH-CB 3.3Å; Y189-T543 PolarHBondContact OH-OG1 3.36Å; Y189-N544 PolarHBondContact OH-N 2.86Å
190	I	89.9	Confident	86.8	Confident	32 Å²	32	63.8 Å²	63.8	16%	0.164	33%	0.326	C	S	.	.			trans	-105.9	103.5	175.3	-54.1	-177	0	0	0	106.5	R182 Q183 G185 V186 H188 S308	R182-I190 VanDerWaalsContact O-CD1 3.31Å; R182-I190 WeakPolarHBondContact O-CD1 3.12Å; Q183-I190 WeakPolarHBondContact O-CD1 3.4Å; G185-I190 CarbonylContact C-O 3.57Å; G185-I190 PolarHBondContact O-N 2.84Å; V186-I190 PolarHBondContact N-O 3.3Å; H188-I190 HydrophobicContact CB-CD1 4.17Å; H188-I190 HydrophobicContact CB-CG1 4.13Å; H188-I190 PolarHBondContact O-N 2.94Å; I190-S308 WeakPolarHBondContact CG1-OG 3.25Å
191	F	92.5	Very high	87.4	Confident	9 Å²	9	59.3 Å²	59.3	4%	0.039	31%	0.311	C	S	.	.			trans	-95.7	122.6	-179	-64	-87.7	0	0	0	109.3	V186 G193 E194 H503 R506 F507	V186-F191 HydrophobicContact CG1-CD1 4.47Å; V186-F191 HydrophobicContact CG1-CE1 3.81Å; V186-F191 HydrophobicContact CG1-CZ 4.29Å; V186-F191 HydrophobicContact CG2-CD1 4.16Å; V186-F191 HydrophobicContact CG2-CE1 4.29Å; F191-G193 PolarHBondContact O-N 3.48Å; F191-E194 HydrophobicContact CB-CB 4.29Å; F191-E194 WeakPolarHBondContact O-CB 3.38Å; F191-E194 PolarHBondContact O-N 2.73Å; F191-H503 AromaticContact CZ-ND1 3.7Å; F191-R506 HydrophobicContact CD1-CB 3.84Å; F191-R506 HydrophobicContact CD2-CB 4Å; F191-R506 VanDerWaalsContact CD2-CZ 3.49Å; F191-R506 HydrophobicContact CE1-CB 3.74Å; F191-R506 HydrophobicContact CE2-CB 3.92Å; F191-R506 VanDerWaalsContact CE2-CZ 3.41Å; F191-R506 HydrophobicContact CG-CB 3.95Å; F191-R506 HydrophobicContact CZ-CB 3.78Å; F191-F507 HydrophobicContact CE1-CB 4.08Å
192	A	91.6	Very high	88.1	Confident	15 Å²	15	60.4 Å²	60.4	12%	0.124	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	135.5	180	0	0	0	0	0	111.1	E194 S510 V513 E655 F656	A192-E194 VanDerWaalsContact C-N 3.29Å; A192-E194 PolarHBondContact O-N 2.89Å; A192-S510 WeakPolarHBondContact O-CA 3.23Å; A192-S510 VanDerWaalsContact O-CB 3.23Å; A192-S510 WeakPolarHBondContact O-CB 3.26Å; A192-V513 HydrophobicContact CB-CG1 4.49Å; A192-E655 HydrophobicContact CB-CB 4.4Å; A192-F656 HydrophobicContact CB-CD1 4.48Å; A192-F656 HydrophobicContact CB-CE1 3.57Å; A192-F656 HydrophobicContact CB-CZ 3.58Å
193	G	88.9	Confident	88.8	Confident	56 Å²	56	58.5 Å²	58.5	58%	0.577	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-5.6	-179.1	0	0	0	0	0	115.8	F191 K195	F191-G193 PolarHBondContact O-N 3.48Å; G193-K195 PolarHBondContact O-N 3.16Å
194	E	89.5	Confident	89.3	Confident	47 Å²	47	54.9 Å²	54.9	22%	0.22	30%	0.296	C	S	.	.			trans	-70.2	124.4	173.9	-158.6	178.2	-158.5	0	0	110	F191 A192 P307 T316 R506	F191-E194 HydrophobicContact CB-CB 4.29Å; F191-E194 WeakPolarHBondContact O-CB 3.38Å; F191-E194 PolarHBondContact O-N 2.73Å; A192-E194 VanDerWaalsContact C-N 3.29Å; A192-E194 PolarHBondContact O-N 2.89Å; E194-P307 HydrophobicContact CG-CB 3.82Å; E194-P307 HydrophobicContact CG-CG 3.92Å; E194-T316 PolarHBondContact OE1-OG1 2.75Å; E194-R506 VanDerWaalsContact CD-NH2 3.3Å; E194-R506 IonicContact OE1-CZ 3.65Å; E194-R506 VanDerWaalsContact OE1-CZ 3.31Å; E194-R506 IonicContact OE1-NE 2.63Å; E194-R506 PolarHBondContact OE1-NE 2.96Å; E194-R506 IonicContact OE1-NH2 2.67Å; E194-R506 PolarHBondContact OE1-NH2 3.43Å; E194-R506 VanDerWaalsContact OE1-NH2 3.1Å; E194-R506 IonicContact OE2-CZ 3.3Å; E194-R506 IonicContact OE2-NE 3.37Å; E194-R506 PolarHBondContact OE2-NE 3.35Å; E194-R506 IonicContact OE2-NH2 3.55Å; E194-R506 PolarHBondContact OE2-NH2 2.87Å
195	K	88.9	Confident	89.7	Confident	164 Å²	164	48 Å²	48	71%	0.713	27%	0.27	S	S	*	.			trans	-114.4	153	-179.5	-64.4	-178.4	-176.8	179.7	0	110.1	G193 I197 P307	G193-K195 PolarHBondContact O-N 3.16Å; K195-I197 PolarHBondContact O-N 3.19Å; K195-P307 WeakPolarHBondContact O-CG 3.45Å
196	P	89.4	Confident	90.1	Very high	88 Å²	88	48.2 Å²	48.2	57%	0.571	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-53.1	129.6	171.4	-23.4	32.6	0	0	0	111.1
197	I	90.6	Very high	90.2	Very high	36 Å²	36	51.8 Å²	51.8	19%	0.185	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-94.1	125.2	-177.7	-59.2	169.8	0	0	0	108.3	K195 A199 H249 G313 C314 T316	K195-I197 PolarHBondContact O-N 3.19Å; I197-A199 PolarHBondContact O-N 2.86Å; I197-H249 HydrophobicContact CD1-CB 4.3Å; I197-H249 HydrophobicContact CG2-CB 4.24Å; I197-G313 VanDerWaalsContact O-CA 3.29Å; I197-G313 WeakPolarHBondContact O-CA 3.46Å; I197-C314 HydrophobicContact CB-CB 4.22Å; I197-C314 HydrophobicContact CG2-CB 3.85Å; I197-C314 PolarHBondContact O-N 3.2Å; I197-T316 HydrophobicContact CD1-CG2 4.49Å
198	K	90.9	Very high	90.5	Very high	170 Å²	170	54.9 Å²	54.9	74%	0.739	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-54.6	132	174.6	-177.4	177.9	179.8	-179.4	0	109.7	C200 R209	K198-C200 PolarHBondContact O-N 3.01Å; K198-R209 PolarHBondContact O-NH2 2.71Å
199	A	91.1	Very high	90.9	Very high	57 Å²	57	57 Å²	57	47%	0.471	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-51.5	137.7	179.5	0	0	0	0	0	112.1	I197 R209	I197-A199 PolarHBondContact O-N 2.86Å; A199-R209 PolarHBondContact O-NH1 3.29Å
200	C	91.7	Very high	91.2	Very high	10 Å²	10	54.8 Å²	54.8	7%	0.068	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-74	160.7	165.8	-74.1	0	0	0	0	110	K198 P202 N206 H249 V283	K198-C200 PolarHBondContact O-N 3.01Å; C200-P202 WeakPolarHBondContact O-CD 3.35Å; C200-N206 HydrophobicContact CB-CB 4.42Å; C200-N206 WeakPolarHBondContact CB-OD1 3.49Å; C200-H249 PolarHBondContact SG-NE2 3.23Å; C200-V283 HydrophobicContact CB-CG1 4.32Å; C200-V283 HydrophobicContact CB-CG2 4.02Å
201	D	93	Very high	91.4	Very high	74 Å²	74	57.8 Å²	57.8	40%	0.396	31%	0.305	S	S	.	.			trans	-71	115	170.3	174.4	3.5	0	0	0	108.5	L203 T204 N206	D201-L203 PolarHBondContact O-N 3.26Å; D201-L203 VanDerWaalsContact O-N 3.17Å; D201-L203 PolarHBondContact OD1-N 2.86Å; D201-L203 VanDerWaalsContact OD1-N 3.09Å; D201-T204 WeakPolarHBondContact CB-OG1 3.41Å; D201-T204 PolarHBondContact O-N 3.15Å; D201-T204 VanDerWaalsContact OD2-CG2 3.23Å; D201-T204 WeakPolarHBondContact OD2-CG2 3.32Å; D201-T204 PolarHBondContact OD2-OG1 3Å; D201-N206 PolarHBondContact N-OD1 2.86Å; D201-N206 PolarHBondContact O-ND2 2.91Å
202	P	93.2	Very high	91.5	Very high	58 Å²	58	57.9 Å²	57.9	38%	0.377	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.2	-174.4	24.3	-33.8	0	0	0	112.8	C200 T282 V283 E284	C200-P202 WeakPolarHBondContact O-CD 3.35Å; P202-T282 WeakPolarHBondContact O-CB 3.45Å; P202-V283 PolarHBondContact O-N 3.14Å; P202-E284 HydrophobicContact CB-CB 4.2Å; P202-E284 VanDerWaalsContact O-CB 3.28Å; P202-E284 WeakPolarHBondContact O-CB 3.31Å; P202-E284 PolarHBondContact O-N 3.15Å
203	L	94.1	Very high	91.7	Very high	65 Å²	65	57.3 Å²	57.3	34%	0.34	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7.7	-173.2	-61.2	-177.5	0	0	0	113.9	G63 A64 I69 D201 T282	G63-L203 CarbonylContact C-O 3.6Å; G63-L203 WeakPolarHBondContact CA-O 3.37Å; A64-L203 HydrophobicContact CB-CB 4.13Å; A64-L203 HydrophobicContact CB-CD2 4.18Å; A64-L203 PolarHBondContact N-O 2.76Å; I69-L203 HydrophobicContact CD1-CD1 4.19Å; I69-L203 HydrophobicContact CG1-CD2 4.21Å; D201-L203 PolarHBondContact O-N 3.26Å; D201-L203 VanDerWaalsContact O-N 3.17Å; D201-L203 PolarHBondContact OD1-N 2.86Å; D201-L203 VanDerWaalsContact OD1-N 3.09Å; L203-T282 WeakPolarHBondContact O-CG2 3.32Å
204	T	93	Very high	91.9	Very high	17 Å²	17	55.5 Å²	55.5	10%	0.104	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-130.5	163.9	176.8	63.8	0	0	0	0	112.4	I61 V62 D201 N206 V283	I61-T204 HydrophobicContact CG2-CG2 4.12Å; V62-T204 CarbonylContact O-C 3.56Å; V62-T204 WeakPolarHBondContact O-CA 3.24Å; V62-T204 WeakPolarHBondContact O-CB 3.48Å; D201-T204 WeakPolarHBondContact CB-OG1 3.41Å; D201-T204 PolarHBondContact O-N 3.15Å; D201-T204 VanDerWaalsContact OD2-CG2 3.23Å; D201-T204 WeakPolarHBondContact OD2-CG2 3.32Å; D201-T204 PolarHBondContact OD2-OG1 3Å; T204-N206 PolarHBondContact O-N 3.49Å; T204-N206 PolarHBondContact O-ND2 3.04Å; T204-N206 PolarHBondContact OG1-ND2 3.27Å; T204-V283 PolarHBondContact O-N 2.86Å; T204-V283 VanDerWaalsContact O-N 3.1Å
205	N	92.4	Very high	92.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.			trans	-75.7	-8.1	176	74.4	-3.3	0	0	0	113.8	K60 I61 V62 R207 E279 F281	K60-N205 PolarHBondContact O-ND2 3.27Å; I61-N205 WeakPolarHBondContact CA-OD1 3.5Å; V62-N205 HydrophobicContact CB-CB 4.43Å; V62-N205 PolarHBondContact N-ND2 2.97Å; V62-N205 PolarHBondContact N-OD1 3.27Å; V62-N205 PolarHBondContact O-N 2.94Å; N205-R207 VanDerWaalsContact C-N 3.26Å; N205-R207 PolarHBondContact O-N 3.41Å; N205-R207 VanDerWaalsContact O-N 3.15Å; N205-R207 PolarHBondContact OD1-N 2.82Å; N205-E279 PolarHBondContact ND2-O 2.95Å; N205-F281 HydrophobicContact CB-CD1 4.29Å; N205-F281 HydrophobicContact CB-CE1 3.97Å; N205-F281 HydrophobicContact CB-CE2 4.31Å; N205-F281 HydrophobicContact CB-CZ 3.96Å; N205-F281 WeakPolarHBondContact CB-O 3.39Å
206	N	92.4	Very high	92.3	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.043	24%	0.241	C	C	.	.			trans	46	42.1	-180	-64.6	-102.2	0	0	0	114.2	C200 D201 T204 N208 R209 L210 V283	C200-N206 HydrophobicContact CB-CB 4.42Å; C200-N206 WeakPolarHBondContact CB-OD1 3.49Å; D201-N206 PolarHBondContact N-OD1 2.86Å; D201-N206 PolarHBondContact O-ND2 2.91Å; T204-N206 PolarHBondContact O-N 3.49Å; T204-N206 PolarHBondContact O-ND2 3.04Å; T204-N206 PolarHBondContact OG1-ND2 3.27Å; N206-N208 PolarHBondContact O-N 2.92Å; N206-R209 PolarHBondContact O-N 2.65Å; N206-L210 HydrophobicContact CB-CD1 4.06Å; N206-L210 HydrophobicContact CB-CG 4.23Å; N206-L210 PolarHBondContact O-N 2.88Å; N206-V283 HydrophobicContact CB-CG2 4.5Å; N206-V283 VanDerWaalsContact ND2-CG2 3.34Å; N206-V283 WeakPolarHBondContact ND2-CG2 3.31Å
207	R	90.5	Very high	92.5	Very high	78 Å²	78	43.5 Å²	43.5	29%	0.294	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-36.5	-176.4	173.9	62.7	-167.2	106.4	-1.8	114.3	I61 N205 R209 L210 F277	I61-R207 HydrophobicContact CG1-CB 4.48Å; N205-R207 VanDerWaalsContact C-N 3.26Å; N205-R207 PolarHBondContact O-N 3.41Å; N205-R207 VanDerWaalsContact O-N 3.15Å; N205-R207 PolarHBondContact OD1-N 2.82Å; R207-R209 VanDerWaalsContact C-N 3.26Å; R207-R209 PolarHBondContact O-N 2.81Å; R207-L210 PolarHBondContact NH1-O 2.99Å; R207-F277 HydrophobicContact CB-CE1 4.12Å; R207-F277 HydrophobicContact CB-CZ 4.4Å; R207-F277 HydrophobicContact CG-CD1 4.43Å; R207-F277 HydrophobicContact CG-CE1 4.43Å
208	N	88.4	Confident	92.5	Very high	90 Å²	90	45.1 Å²	45.1	48%	0.481	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.6	-180	62.1	-18.1	0	0	0	114.7	N206	N206-N208 PolarHBondContact O-N 2.92Å
209	R	90.2	Very high	92.6	Very high	76 Å²	76	39 Å²	39	29%	0.287	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-11.2	-176.4	-65.4	179.1	66.7	-167.2	-6.7	113.7	K198 A199 N206 R207	K198-R209 PolarHBondContact O-NH2 2.71Å; A199-R209 PolarHBondContact O-NH1 3.29Å; N206-R209 PolarHBondContact O-N 2.65Å; R207-R209 VanDerWaalsContact C-N 3.26Å; R207-R209 PolarHBondContact O-N 2.81Å
210	L	93.5	Very high	92.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.218	C	C	.	.			trans	-117.3	139.3	-172.3	-61.9	180	0	0	0	112.1	N206 R207 L247 C248 F277 V283	N206-L210 HydrophobicContact CB-CD1 4.06Å; N206-L210 HydrophobicContact CB-CG 4.23Å; N206-L210 PolarHBondContact O-N 2.88Å; R207-L210 PolarHBondContact NH1-O 2.99Å; L210-L247 HydrophobicContact CB-CD2 4.22Å; L210-L247 HydrophobicContact CD1-CB 4.42Å; L210-L247 HydrophobicContact CD1-CD1 4.37Å; L210-L247 HydrophobicContact CD1-CD2 4.48Å; L210-C248 CarbonylContact C-O 3.56Å; L210-C248 WeakPolarHBondContact CA-O 3.42Å; L210-F277 HydrophobicContact CB-CE2 3.96Å; L210-F277 HydrophobicContact CB-CZ 4.16Å; L210-F277 WeakPolarHBondContact O-CE2 3.45Å; L210-V283 HydrophobicContact CD1-CG2 4.23Å
211	Y	93.7	Very high	92.3	Very high	95 Å²	95	43.8 Å²	43.8	37%	0.373	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133	173.8	-62.9	-95.4	0	0	0	109.3	L247 C248 E251	Y211-L247 CarbonylContact O-C 3.55Å; Y211-L247 WeakPolarHBondContact O-CA 3.39Å; Y211-C248 PolarHBondContact N-O 3.47Å; Y211-C248 PolarHBondContact O-N 3.1Å; Y211-E251 HydrophobicContact CD1-CB 4.11Å; Y211-E251 HydrophobicContact CD1-CG 4.17Å; Y211-E251 HydrophobicContact CE1-CB 4.01Å; Y211-E251 HydrophobicContact CE1-CG 4.3Å; Y211-E251 HydrophobicContact CG-CB 4.41Å
212	Y	94.4	Very high	92.1	Very high	10 Å²	10	40.4 Å²	40.4	4%	0.039	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.8	-174.7	179.7	-104	0	0	0	112.6	I246 L247 E275 A276 P278 I320 R322	Y212-I246 WeakPolarHBondContact CA-O 3.31Å; Y212-L247 HydrophobicContact CD2-CD2 3.84Å; Y212-L247 HydrophobicContact CD2-CG 4.3Å; Y212-L247 HydrophobicContact CG-CD2 4.48Å; Y212-E275 HydrophobicContact CD1-CB 4.02Å; Y212-E275 HydrophobicContact CE1-CB 3.73Å; Y212-A276 WeakPolarHBondContact CD1-O 3.4Å; Y212-P278 HydrophobicContact CD2-CG 3.75Å; Y212-P278 HydrophobicContact CE2-CG 3.66Å; Y212-P278 VanDerWaalsContact CG-CD 3.44Å; Y212-P278 HydrophobicContact CG-CG 4.22Å; Y212-I320 HydrophobicContact CE2-CD1 4.4Å; Y212-R322 WeakPolarHBondContact OH-CD 3.45Å
213	Y	95	Very high	91.6	Very high	3 Å²	3	38 Å²	38	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.1	174.3	-56.2	-86.9	0	0	0	110.7	I33 G245 I246 E251 V252 L272 E273	I33-Y213 HydrophobicContact CD1-CE1 4.03Å; I33-Y213 HydrophobicContact CG2-CD1 4.41Å; I33-Y213 HydrophobicContact CG2-CE1 4.23Å; Y213-G245 CarbonylContact O-C 3.52Å; Y213-G245 WeakPolarHBondContact O-CA 3.49Å; Y213-I246 PolarHBondContact N-O 2.88Å; Y213-I246 PolarHBondContact O-N 3.45Å; Y213-E251 WeakPolarHBondContact OH-CG 3.41Å; Y213-V252 HydrophobicContact CD2-CG2 4.14Å; Y213-V252 HydrophobicContact CE2-CB 4.22Å; Y213-V252 HydrophobicContact CE2-CG2 3.67Å; Y213-V252 PolarHBondContact OH-N 3.1Å; Y213-L272 HydrophobicContact CD1-CB 4.39Å; Y213-E273 CarbonylContact C-O 3.53Å; Y213-E273 WeakPolarHBondContact CA-O 3.26Å
214	K	93.8	Very high	90.7	Very high	18 Å²	18	38 Å²	38	8%	0.078	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.3	166.9	-177.9	-163.2	-151.5	154.1	0	110.2	S216 D242 L272 E273 E275 R322	K214-S216 PolarHBondContact O-N 3.17Å; K214-D242 WeakPolarHBondContact CE-OD2 3.49Å; K214-D242 IonicContact NZ-OD2 2.65Å; K214-D242 PolarHBondContact NZ-OD2 3.16Å; K214-L272 CarbonylContact O-C 3.48Å; K214-L272 WeakPolarHBondContact O-CA 3.47Å; K214-E273 HydrophobicContact CB-CB 4.22Å; K214-E273 PolarHBondContact N-O 3.2Å; K214-E273 PolarHBondContact O-N 3.07Å; K214-E275 WeakPolarHBondContact CD-OE1 3.33Å; K214-E275 IonicContact NZ-OE1 3.94Å; K214-R322 VanDerWaalsContact CB-NH1 3.33Å; K214-R322 VanDerWaalsContact CE-NH1 3.33Å
215	L	94.5	Very high	89.8	Confident	4 Å²	4	39 Å²	39	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116.1	164.3	-179	64.7	0	0	0	110.8	V217 Y244 I246 L270 L498 M501	L215-V217 HydrophobicContact CG-CG2 4.26Å; L215-Y244 PolarHBondContact N-O 3.34Å; L215-Y244 VanDerWaalsContact N-O 3.1Å; L215-I246 HydrophobicContact CB-CD1 4.35Å; L215-L270 HydrophobicContact CD1-CB 4.18Å; L215-L498 HydrophobicContact CD2-CB 4.01Å; L215-L498 HydrophobicContact CD2-CD1 4.02Å; L215-M501 HydrophobicContact CD1-CB 4.05Å; L215-M501 HydrophobicContact CD1-CG 3.93Å; L215-M501 HydrophobicContact CD1-SD 4.36Å
216	S	92.5	Very high	88.6	Confident	25 Å²	25	48 Å²	48	18%	0.175	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.7	174.9	-172.6	0	0	0	0	110.4	K214 L270 S271 E273	K214-S216 PolarHBondContact O-N 3.17Å; S216-L270 WeakPolarHBondContact O-CA 3.48Å; S216-S271 PolarHBondContact N-O 3.35Å; S216-S271 PolarHBondContact O-N 2.68Å; S216-E273 VanDerWaalsContact CB-CD 3.48Å; S216-E273 WeakPolarHBondContact CB-OE1 3.29Å; S216-E273 PolarHBondContact OG-OE1 2.98Å
217	V	93	Very high	87.5	Confident	19 Å²	19	53.7 Å²	53.7	12%	0.115	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.1	-175.5	-176.1	0	0	0	0	109.3	L215 L223 Y268 L270 K497	L215-V217 HydrophobicContact CG-CG2 4.26Å; V217-L223 HydrophobicContact CB-CD1 3.75Å; V217-L223 HydrophobicContact CG1-CD1 3.72Å; V217-L223 HydrophobicContact CG1-CD2 4.42Å; V217-Y268 HydrophobicContact CG1-CD1 3.89Å; V217-L270 HydrophobicContact CB-CD2 4.31Å; V217-L270 HydrophobicContact CG1-CD2 3.9Å; V217-L270 HydrophobicContact CG2-CD2 3.82Å; V217-K497 HydrophobicContact CG1-CD 3.68Å; V217-K497 HydrophobicContact CG2-CD 4.07Å
218	S	91.6	Very high	86.9	Confident	70 Å²	70	50.1 Å²	50.1	49%	0.49	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.2	178.6	173.9	0	0	0	0	110.7	Y268 K269	S218-Y268 WeakPolarHBondContact O-CA 3.49Å; S218-K269 PolarHBondContact N-O 2.86Å; S218-K269 PolarHBondContact O-N 3.04Å
219	P	92.6	Very high	86.8	Confident	42 Å²	42	47 Å²	47	27%	0.273	23%	0.234	S	C	.	.	S	Bend	cis	-73.7	163.9	-5.8	34	-36.4	0	0	0	111.8	I221 I266 E267 Y268	P219-I221 HydrophobicContact CB-CD1 4.02Å; P219-I221 HydrophobicContact CB-CG1 4.08Å; P219-I221 HydrophobicContact CG-CD1 3.85Å; P219-I221 HydrophobicContact CG-CG1 4.2Å; P219-I221 PolarHBondContact O-N 3.26Å; P219-I266 HydrophobicContact CG-CG2 3.9Å; P219-E267 WeakPolarHBondContact CD-O 3.35Å; P219-Y268 WeakPolarHBondContact O-CD1 3.36Å; P219-Y268 WeakPolarHBondContact O-CE1 3.43Å
220	D	87.8	Confident	86.9	Confident	112 Å²	112	43.4 Å²	43.4	60%	0.599	22%	0.221	S	C	*	.			trans	-82.1	20.8	-179.7	61	-16	0	0	0	114.1	L223	D220-L223 HydrophobicContact CB-CD1 4.24Å
221	I	89.3	Confident	86.8	Confident	54 Å²	54	47.9 Å²	47.9	28%	0.277	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	139.3	-179.6	-57.2	166.2	0	0	0	109.9	P219 L223 I266 Y268 E561	P219-I221 HydrophobicContact CB-CD1 4.02Å; P219-I221 HydrophobicContact CB-CG1 4.08Å; P219-I221 HydrophobicContact CG-CD1 3.85Å; P219-I221 HydrophobicContact CG-CG1 4.2Å; P219-I221 PolarHBondContact O-N 3.26Å; I221-L223 PolarHBondContact O-N 3.11Å; I221-I266 HydrophobicContact CB-CD1 4.21Å; I221-I266 HydrophobicContact CD1-CD1 4.41Å; I221-I266 HydrophobicContact CG2-CD1 3.65Å; I221-Y268 VanDerWaalsContact O-CE1 3.29Å; I221-Y268 WeakPolarHBondContact O-CE1 3.19Å; I221-Y268 PolarHBondContact O-OH 3.29Å; I221-Y268 VanDerWaalsContact O-OH 3.07Å; I221-E561 HydrophobicContact CG2-CB 4.04Å
222	N	88.1	Confident	86.9	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	24.8	-178.3	-59.8	-45.1	0	0	0	114.3	W264 L557 P560 E561	N222-W264 HydrophobicContact CB-CE3 4.43Å; N222-W264 HydrophobicContact CB-CH2 4.46Å; N222-W264 HydrophobicContact CB-CZ3 4.11Å; N222-L557 HydrophobicContact CB-CD1 3.85Å; N222-L557 VanDerWaalsContact O-CD1 3.31Å; N222-L557 WeakPolarHBondContact O-CD1 3.3Å; N222-P560 WeakPolarHBondContact OD1-CA 3.48Å; N222-E561 PolarHBondContact ND2-N 3.11Å; N222-E561 PolarHBondContact ND2-O 3.3Å; N222-E561 PolarHBondContact OD1-N 2.94Å
223	L	83.7	Confident	86.8	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.037	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-57.7	172.5	-66.6	-174.9	0	0	0	110.4	V217 D220 I221 D490 Q493 K497	V217-L223 HydrophobicContact CB-CD1 3.75Å; V217-L223 HydrophobicContact CG1-CD1 3.72Å; V217-L223 HydrophobicContact CG1-CD2 4.42Å; D220-L223 HydrophobicContact CB-CD1 4.24Å; I221-L223 PolarHBondContact O-N 3.11Å; L223-D490 WeakPolarHBondContact O-CB 3.43Å; L223-Q493 HydrophobicContact CD2-CB 4.48Å; L223-K497 HydrophobicContact CD2-CD 4.08Å
224	T	74.6	Confident	86.6	Confident	65 Å²	65	49.8 Å²	49.8	40%	0.399	25%	0.253	S	S	.	.			trans	-119.7	133.2	-179.6	50.9	0	0	0	0	109.5
225	K	74.4	Confident	86.4	Confident	40 Å²	40	54.7 Å²	54.7	17%	0.174	28%	0.276	C	S	.	.			trans	-130.5	148.6	163.2	-65.7	-168	171.9	-167.3	0	106.6	Y227 S228 T229 R559 E561	K225-Y227 HydrophobicContact CB-CD1 4.36Å; K225-Y227 HydrophobicContact CB-CE1 4Å; K225-Y227 HydrophobicContact CD-CE1 4.11Å; K225-Y227 VanDerWaalsContact CD-OH 3.29Å; K225-Y227 WeakPolarHBondContact CD-OH 3.39Å; K225-Y227 PolarHBondContact O-N 3.42Å; K225-Y227 VanDerWaalsContact O-N 3.09Å; K225-S228 CarbonylContact O-C 3.52Å; K225-S228 PolarHBondContact O-N 2.74Å; K225-S228 PolarHBondContact O-OG 2.81Å; K225-T229 PolarHBondContact O-N 2.97Å; K225-T229 PolarHBondContact O-OG1 2.86Å; K225-R559 PolarHBondContact NZ-O 2.8Å; K225-E561 IonicContact NZ-OE1 2.74Å
226	E	67.7	Low	86.1	Confident	189 Å²	189	58 Å²	58	88%	0.883	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-51.9	-39.4	-174	-67.6	178.7	168.9	0	0	112.9
227	Y	68.7	Low	86	Confident	127 Å²	127	61.1 Å²	61.1	50%	0.498	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-89.5	6.1	-179	60.7	-93.9	0	0	0	114.6	K225	K225-Y227 HydrophobicContact CB-CD1 4.36Å; K225-Y227 HydrophobicContact CB-CE1 4Å; K225-Y227 HydrophobicContact CD-CE1 4.11Å; K225-Y227 VanDerWaalsContact CD-OH 3.29Å; K225-Y227 WeakPolarHBondContact CD-OH 3.39Å; K225-Y227 PolarHBondContact O-N 3.42Å; K225-Y227 VanDerWaalsContact O-N 3.09Å
228	S	77.4	Confident	86	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.021	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-138.1	22.6	-177.1	76.5	0	0	0	0	113	K225 Y488 D490 L557	K225-S228 CarbonylContact O-C 3.52Å; K225-S228 PolarHBondContact O-N 2.74Å; K225-S228 PolarHBondContact O-OG 2.81Å; S228-Y488 WeakPolarHBondContact O-CB 3.46Å; S228-D490 VanDerWaalsContact O-CB 3.25Å; S228-D490 WeakPolarHBondContact O-CB 3.4Å; S228-L557 WeakPolarHBondContact OG-CD2 3.42Å
229	T	85.8	Confident	86.2	Confident	23 Å²	23	61.5 Å²	61.5	14%	0.141	31%	0.312	C	S	.	.			trans	-100.4	125.7	178.8	-55.5	0	0	0	0	109	K225 K231 D490	K225-T229 PolarHBondContact O-N 2.97Å; K225-T229 PolarHBondContact O-OG1 2.86Å; T229-K231 PolarHBondContact O-N 3.14Å; T229-D490 WeakPolarHBondContact CA-OD2 3.41Å
230	T	92.7	Very high	86.2	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	31%	0.313	C	S	.	.			trans	-73.3	128	178.4	-54.4	0	0	0	0	109.3	F241 F323 G486 Y488 D490 M491	T230-F241 PolarHBondContact O-N 2.95Å; T230-F323 HydrophobicContact CG2-CE1 3.76Å; T230-F323 HydrophobicContact CG2-CZ 3.93Å; T230-G486 WeakPolarHBondContact CG2-O 3.24Å; T230-Y488 HydrophobicContact CG2-CD2 4.44Å; T230-Y488 WeakPolarHBondContact OG1-CB 3.3Å; T230-Y488 PolarHBondContact OG1-N 3.13Å; T230-D490 PolarHBondContact N-OD1 3.39Å; T230-D490 PolarHBondContact N-OD2 3.33Å; T230-D490 PolarHBondContact OG1-OD1 3.34Å; T230-M491 HydrophobicContact CG2-SD 3.84Å
231	K	92.7	Very high	86.6	Confident	94 Å²	94	56.4 Å²	56.4	41%	0.409	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.8	-176.2	-68.6	168.2	165.5	-148.8	0	110.2	T229 E238 F239	T229-K231 PolarHBondContact O-N 3.14Å; K231-E238 HydrophobicContact CB-CG 4.1Å; K231-E238 HydrophobicContact CD-CG 4.18Å; K231-E238 WeakPolarHBondContact CD-OE1 3.23Å; K231-E238 WeakPolarHBondContact CD-OE2 3.46Å; K231-E238 WeakPolarHBondContact CE-OE1 3.45Å; K231-E238 HydrophobicContact CG-CG 4.26Å; K231-E238 VanDerWaalsContact NZ-CD 3.28Å; K231-E238 IonicContact NZ-OE1 3.28Å; K231-E238 PolarHBondContact NZ-OE1 3.06Å; K231-E238 IonicContact NZ-OE2 2.73Å; K231-E238 PolarHBondContact NZ-OE2 3.47Å; K231-E238 VanDerWaalsContact NZ-OE2 3.17Å; K231-F239 CarbonylContact C-O 3.56Å; K231-F239 VanDerWaalsContact CA-O 3.31Å; K231-F239 WeakPolarHBondContact CA-O 3.28Å
232	I	94.3	Very high	86.7	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124	178.2	-58.8	-177.6	0	0	0	108.8	F239 F323 L335 V340 H343	I232-F239 PolarHBondContact N-O 2.88Å; I232-F239 PolarHBondContact O-N 2.91Å; I232-F323 HydrophobicContact CB-CD1 4.48Å; I232-F323 HydrophobicContact CD1-CD1 3.81Å; I232-F323 HydrophobicContact CD1-CD2 3.78Å; I232-F323 HydrophobicContact CD1-CE1 3.73Å; I232-F323 HydrophobicContact CD1-CE2 3.68Å; I232-F323 HydrophobicContact CD1-CG 3.82Å; I232-F323 HydrophobicContact CD1-CZ 3.66Å; I232-F323 HydrophobicContact CG1-CD1 3.85Å; I232-F323 HydrophobicContact CG1-CE1 3.78Å; I232-F323 HydrophobicContact CG1-CG 4.31Å; I232-F323 HydrophobicContact CG1-CZ 4.19Å; I232-L335 HydrophobicContact CB-CD2 4.08Å; I232-L335 HydrophobicContact CD1-CD2 4.07Å; I232-L335 HydrophobicContact CG2-CD2 3.86Å; I232-V340 HydrophobicContact CD1-CB 4.47Å; I232-V340 HydrophobicContact CD1-CG1 4.37Å; I232-V340 HydrophobicContact CD1-CG2 4.18Å; I232-H343 HydrophobicContact CD1-CB 4.16Å; I232-H343 HydrophobicContact CG1-CB 4.44Å; I232-H343 HydrophobicContact CG2-CB 3.96Å
233	M	92.5	Very high	87	Confident	118 Å²	118	55.3 Å²	55.3	58%	0.581	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.2	170.6	-67.6	-59.1	-64	0	0	109.4	R237 E238	M233-R237 WeakPolarHBondContact CA-O 3.46Å; M233-E238 HydrophobicContact SD-CB 3.6Å; M233-E238 VanDerWaalsContact SD-CB 3.6Å; M233-E238 HydrophobicContact SD-CG 3.89Å
234	Y	91.1	Very high	87.5	Confident	28 Å²	28	55 Å²	55	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	125.1	177.2	-173.9	-98.5	0	0	0	109.5	V43 G236 R237 F239 L335 A339	V43-Y234 HydrophobicContact CG1-CD1 4.4Å; V43-Y234 HydrophobicContact CG1-CE1 3.9Å; Y234-G236 PolarHBondContact O-N 3.02Å; Y234-R237 PolarHBondContact N-O 2.96Å; Y234-R237 PolarHBondContact O-N 3.06Å; Y234-F239 HydrophobicContact CD1-CE2 4.49Å; Y234-L335 HydrophobicContact CD1-CD1 3.72Å; Y234-L335 HydrophobicContact CD2-CD1 4.29Å; Y234-L335 HydrophobicContact CE1-CD1 4.45Å; Y234-L335 HydrophobicContact CG-CD1 3.61Å; Y234-A339 HydrophobicContact CD2-CB 3.54Å; Y234-A339 HydrophobicContact CE2-CB 3.54Å; Y234-A339 HydrophobicContact CG-CB 4.3Å
235	E	88.8	Confident	88.5	Confident	120 Å²	120	51.9 Å²	51.9	56%	0.561	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	41.8	-178.2	-61.5	-174.7	153	0	0	113.7	R237	E235-R237 PolarHBondContact O-N 2.9Å
236	G	88.1	Confident	89.6	Confident	74 Å²	74	50 Å²	50	76%	0.763	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	0.8	179.6	0	0	0	0	0	115.4	Y234	Y234-G236 PolarHBondContact O-N 3.02Å
237	R	91.5	Very high	90.9	Very high	90 Å²	90	41 Å²	41	34%	0.34	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	144.9	178.9	-62.8	-178.2	-73.3	168.2	1.7	111.1	M233 Y234 E235 F239 E333	M233-R237 WeakPolarHBondContact CA-O 3.46Å; Y234-R237 PolarHBondContact N-O 2.96Å; Y234-R237 PolarHBondContact O-N 3.06Å; E235-R237 PolarHBondContact O-N 2.9Å; R237-F239 HydrophobicContact CB-CD2 4.47Å; R237-F239 HydrophobicContact CB-CE2 3.88Å; R237-E333 IonicContact CZ-OE2 3.99Å; R237-E333 IonicContact NH1-OE1 3.51Å; R237-E333 IonicContact NH1-OE2 3.15Å; R237-E333 PolarHBondContact NH1-OE2 3.19Å; R237-E333 IonicContact NH2-OE2 2.96Å
238	E	92.7	Very high	92.1	Very high	97 Å²	97	35.1 Å²	35.1	45%	0.453	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.3	-179.9	-171.3	-173.5	90.1	0	0	110.4	K231 M233 V325	K231-E238 HydrophobicContact CB-CG 4.1Å; K231-E238 HydrophobicContact CD-CG 4.18Å; K231-E238 WeakPolarHBondContact CD-OE1 3.23Å; K231-E238 WeakPolarHBondContact CD-OE2 3.46Å; K231-E238 WeakPolarHBondContact CE-OE1 3.45Å; K231-E238 HydrophobicContact CG-CG 4.26Å; K231-E238 VanDerWaalsContact NZ-CD 3.28Å; K231-E238 IonicContact NZ-OE1 3.28Å; K231-E238 PolarHBondContact NZ-OE1 3.06Å; K231-E238 IonicContact NZ-OE2 2.73Å; K231-E238 PolarHBondContact NZ-OE2 3.47Å; K231-E238 VanDerWaalsContact NZ-OE2 3.17Å; M233-E238 HydrophobicContact SD-CB 3.6Å; M233-E238 VanDerWaalsContact SD-CB 3.6Å; M233-E238 HydrophobicContact SD-CG 3.89Å; E238-V325 WeakPolarHBondContact O-CG2 3.24Å
239	F	95	Very high	92.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.3	175.6	-67.9	-105.3	0	0	0	110.2	V43 K231 I232 Y234 R237 F323 V325 E333 L335	V43-F239 HydrophobicContact CG2-CE1 3.92Å; V43-F239 HydrophobicContact CG2-CZ 3.84Å; K231-F239 CarbonylContact C-O 3.56Å; K231-F239 VanDerWaalsContact CA-O 3.31Å; K231-F239 WeakPolarHBondContact CA-O 3.28Å; I232-F239 PolarHBondContact N-O 2.88Å; I232-F239 PolarHBondContact O-N 2.91Å; Y234-F239 HydrophobicContact CD1-CE2 4.49Å; R237-F239 HydrophobicContact CB-CD2 4.47Å; R237-F239 HydrophobicContact CB-CE2 3.88Å; F239-F323 HydrophobicContact CB-CB 3.91Å; F239-V325 HydrophobicContact CB-CG2 4.48Å; F239-V325 HydrophobicContact CD1-CB 4.43Å; F239-V325 HydrophobicContact CD1-CG2 3.65Å; F239-V325 HydrophobicContact CD2-CG2 4.06Å; F239-V325 HydrophobicContact CE1-CB 4.33Å; F239-V325 HydrophobicContact CE1-CG2 3.73Å; F239-V325 HydrophobicContact CE2-CG2 4.14Å; F239-V325 HydrophobicContact CG-CG2 3.81Å; F239-V325 HydrophobicContact CZ-CG2 3.96Å; F239-E333 HydrophobicContact CE1-CB 4.36Å; F239-L335 HydrophobicContact CB-CD2 4.43Å; F239-L335 HydrophobicContact CD1-CB 3.83Å; F239-L335 HydrophobicContact CD1-CD1 4.08Å; F239-L335 HydrophobicContact CD1-CG 4.47Å; F239-L335 HydrophobicContact CD2-CD1 3.83Å; F239-L335 HydrophobicContact CE1-CB 4.24Å; F239-L335 HydrophobicContact CE1-CD1 4.12Å; F239-L335 HydrophobicContact CE2-CD1 3.87Å; F239-L335 HydrophobicContact CG-CB 4.22Å; F239-L335 HydrophobicContact CG-CD1 3.96Å; F239-L335 HydrophobicContact CG-CD2 4.49Å; F239-L335 HydrophobicContact CG-CG 4.46Å; F239-L335 HydrophobicContact CZ-CD1 4.03Å
240	S	93.9	Very high	93.1	Very high	41 Å²	41	38 Å²	38	29%	0.287	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	145.1	179.1	61.5	0	0	0	0	112	D242 F323 V324	S240-D242 PolarHBondContact O-N 2.88Å; S240-F323 CarbonylContact O-C 3.58Å; S240-F323 WeakPolarHBondContact O-CA 3.46Å; S240-V324 PolarHBondContact N-O 3.48Å; S240-V324 PolarHBondContact O-N 3.32Å; S240-V324 PolarHBondContact OG-O 3.32Å
241	F	94.7	Very high	92.9	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	129.3	175.6	-177.3	-109.9	0	0	0	112.3	T230 G243 Y244 P321 R322 F323 D490 M491 H494	T230-F241 PolarHBondContact O-N 2.95Å; F241-G243 WeakPolarHBondContact CE2-O 3.33Å; F241-G243 VanDerWaalsContact CZ-CA 3.45Å; F241-G243 WeakPolarHBondContact CZ-O 3.29Å; F241-Y244 HydrophobicContact CE1-CE2 4.49Å; F241-Y244 HydrophobicContact CE2-CE1 4.27Å; F241-Y244 HydrophobicContact CE2-CE2 4.43Å; F241-Y244 HydrophobicContact CZ-CD2 4.05Å; F241-Y244 HydrophobicContact CZ-CE1 4.22Å; F241-Y244 AromaticContact CZ-CE2 3.61Å; F241-Y244 HydrophobicContact CZ-CE2 3.61Å; F241-Y244 AromaticContact CZ-CZ 3.7Å; F241-P321 HydrophobicContact CE2-CB 4.22Å; F241-R322 CarbonylContact C-O 3.59Å; F241-R322 WeakPolarHBondContact CA-O 3.42Å; F241-R322 WeakPolarHBondContact CD2-O 3.29Å; F241-F323 HydrophobicContact CB-CD1 4.13Å; F241-F323 HydrophobicContact CB-CE1 3.76Å; F241-F323 HydrophobicContact CB-CZ 4.35Å; F241-F323 HydrophobicContact CD2-CE1 4.15Å; F241-F323 HydrophobicContact CD2-CE2 4.21Å; F241-F323 AromaticContact CD2-CZ 3.94Å; F241-F323 HydrophobicContact CD2-CZ 3.94Å; F241-F323 HydrophobicContact CG-CE1 4.42Å; F241-D490 WeakPolarHBondContact CB-OD2 3.39Å; F241-D490 HydrophobicContact CD1-CB 4.4Å; F241-D490 WeakPolarHBondContact CD1-OD2 3.18Å; F241-M491 HydrophobicContact CD1-CG 3.92Å; F241-M491 HydrophobicContact CD2-CE 4.19Å; F241-M491 HydrophobicContact CD2-CG 3.93Å; F241-M491 HydrophobicContact CD2-SD 4.42Å; F241-M491 HydrophobicContact CE1-CB 4.37Å; F241-M491 HydrophobicContact CE1-CG 3.96Å; F241-M491 HydrophobicContact CE2-CE 3.94Å; F241-M491 HydrophobicContact CE2-CG 3.97Å; F241-M491 HydrophobicContact CG-CG 3.91Å; F241-M491 HydrophobicContact CZ-CB 4.38Å; F241-M491 HydrophobicContact CZ-CG 3.99Å; F241-H494 HydrophobicContact CE1-CB 3.9Å; F241-H494 AromaticContact CE1-CD2 3.84Å; F241-H494 AromaticContact CE1-CG 3.85Å; F241-H494 HydrophobicContact CZ-CB 4.17Å
242	D	92.3	Very high	92.7	Very high	34 Å²	34	38.2 Å²	38.2	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	41.3	-178.3	-170.3	56.5	0	0	0	111.3	K214 S240 R322 V324 K326	K214-D242 WeakPolarHBondContact CE-OD2 3.49Å; K214-D242 IonicContact NZ-OD2 2.65Å; K214-D242 PolarHBondContact NZ-OD2 3.16Å; S240-D242 PolarHBondContact O-N 2.88Å; D242-R322 PolarHBondContact N-O 3.03Å; D242-V324 HydrophobicContact CB-CB 4.42Å; D242-V324 HydrophobicContact CB-CG1 4.12Å; D242-V324 HydrophobicContact CB-CG2 3.47Å; D242-V324 VanDerWaalsContact CB-CG2 3.47Å; D242-K326 IonicContact OD1-NZ 3.98Å
243	G	93.7	Very high	92.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-153.7	175.8	0	0	0	0	0	114.4	F241 R322	F241-G243 WeakPolarHBondContact CE2-O 3.33Å; F241-G243 VanDerWaalsContact CZ-CA 3.45Å; F241-G243 WeakPolarHBondContact CZ-O 3.29Å; G243-R322 WeakPolarHBondContact O-CB 2.71Å; G243-R322 PolarHBondContact O-N 3.21Å
244	Y	95.8	Very high	91.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.7	-173.7	-66.1	-79.7	0	0	0	111.6	L215 F241 F289 F293 F294 I319 I320 P321 M491 H494 L498	L215-Y244 PolarHBondContact N-O 3.34Å; L215-Y244 VanDerWaalsContact N-O 3.1Å; F241-Y244 HydrophobicContact CE1-CE2 4.49Å; F241-Y244 HydrophobicContact CE2-CE1 4.27Å; F241-Y244 HydrophobicContact CE2-CE2 4.43Å; F241-Y244 HydrophobicContact CZ-CD2 4.05Å; F241-Y244 HydrophobicContact CZ-CE1 4.22Å; F241-Y244 AromaticContact CZ-CE2 3.61Å; F241-Y244 HydrophobicContact CZ-CE2 3.61Å; F241-Y244 AromaticContact CZ-CZ 3.7Å; Y244-F289 AromaticContact CE1-CE1 3.93Å; Y244-F289 HydrophobicContact CE1-CE1 3.93Å; Y244-F289 HydrophobicContact CE1-CZ 4.22Å; Y244-F293 WeakPolarHBondContact OH-CE1 3.35Å; Y244-F294 HydrophobicContact CE1-CE2 4.45Å; Y244-I319 HydrophobicContact CD1-CD1 4.44Å; Y244-I319 HydrophobicContact CE1-CD1 4.48Å; Y244-I320 WeakPolarHBondContact CA-O 3.37Å; Y244-P321 HydrophobicContact CD1-CB 4.25Å; Y244-P321 HydrophobicContact CE1-CB 3.96Å; Y244-M491 PolarHBondContact OH-O 3.21Å; Y244-H494 HydrophobicContact CD2-CB 3.8Å; Y244-H494 HydrophobicContact CE2-CB 3.6Å; Y244-L498 HydrophobicContact CD1-CD2 4.45Å; Y244-L498 HydrophobicContact CD2-CD2 4.09Å; Y244-L498 HydrophobicContact CG-CD2 3.93Å
245	G	95.6	Very high	91.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	143	159.4	0	0	0	0	0	110.8	Y213 I319 I320	Y213-G245 CarbonylContact O-C 3.52Å; Y213-G245 WeakPolarHBondContact O-CA 3.49Å; G245-I319 WeakPolarHBondContact O-CA 3.33Å; G245-I320 PolarHBondContact N-O 3.08Å; G245-I320 PolarHBondContact O-N 3.25Å
246	I	95.9	Very high	91.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.7	178.7	-51.1	-179.8	0	0	0	107.8	Y212 Y213 L215 L272 F317 L498 M501 F502 I505	Y212-I246 WeakPolarHBondContact CA-O 3.31Å; Y213-I246 PolarHBondContact N-O 2.88Å; Y213-I246 PolarHBondContact O-N 3.45Å; L215-I246 HydrophobicContact CB-CD1 4.35Å; I246-L272 HydrophobicContact CD1-CD2 3.89Å; I246-F317 HydrophobicContact CG2-CD1 4.03Å; I246-L498 HydrophobicContact CD1-CD1 3.52Å; I246-L498 HydrophobicContact CG1-CD1 3.64Å; I246-M501 HydrophobicContact CD1-CG 4.28Å; I246-F502 HydrophobicContact CD1-CE1 4.09Å; I246-F502 HydrophobicContact CG1-CE1 4.22Å; I246-F502 HydrophobicContact CG2-CE1 3.86Å; I246-I505 HydrophobicContact CD1-CD1 4.49Å
247	L	95.7	Very high	91.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.6	172.9	-67.9	161.3	0	0	0	109	L210 Y211 Y212 F277 F281 F317 H318 I320	L210-L247 HydrophobicContact CB-CD2 4.22Å; L210-L247 HydrophobicContact CD1-CB 4.42Å; L210-L247 HydrophobicContact CD1-CD1 4.37Å; L210-L247 HydrophobicContact CD1-CD2 4.48Å; Y211-L247 CarbonylContact O-C 3.55Å; Y211-L247 WeakPolarHBondContact O-CA 3.39Å; Y212-L247 HydrophobicContact CD2-CD2 3.84Å; Y212-L247 HydrophobicContact CD2-CG 4.3Å; Y212-L247 HydrophobicContact CG-CD2 4.48Å; L247-F277 HydrophobicContact CD2-CE2 3.69Å; L247-F277 HydrophobicContact CD2-CZ 3.98Å; L247-F281 HydrophobicContact CD1-CD2 4.31Å; L247-F281 HydrophobicContact CD1-CE1 4.36Å; L247-F281 HydrophobicContact CD1-CE2 3.43Å; L247-F281 VanDerWaalsContact CD1-CE2 3.43Å; L247-F281 HydrophobicContact CD1-CZ 3.47Å; L247-F281 VanDerWaalsContact CD1-CZ 3.47Å; L247-F281 HydrophobicContact CD2-CZ 3.99Å; L247-F281 HydrophobicContact CG-CZ 4.39Å; L247-F317 WeakPolarHBondContact O-CA 3.34Å; L247-H318 HydrophobicContact CB-CB 3.97Å; L247-H318 HydrophobicContact CD1-CB 3.94Å; L247-H318 PolarHBondContact N-O 2.92Å; L247-H318 PolarHBondContact O-N 2.86Å; L247-I320 HydrophobicContact CD1-CD1 3.76Å; L247-I320 HydrophobicContact CD1-CG1 4.02Å; L247-I320 HydrophobicContact CG-CD1 4.35Å
248	C	94.2	Very high	91.5	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.02	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.5	-179.7	-58.7	0	0	0	0	110.7	L210 Y211 S250	L210-C248 CarbonylContact C-O 3.56Å; L210-C248 WeakPolarHBondContact CA-O 3.42Å; Y211-C248 PolarHBondContact N-O 3.47Å; Y211-C248 PolarHBondContact O-N 3.1Å; C248-S250 VanDerWaalsContact CB-O 3.24Å; C248-S250 WeakPolarHBondContact CB-O 3.39Å; C248-S250 PolarHBondContact O-N 3.01Å
249	H	92.7	Very high	91.4	Very high	35 Å²	35	22.8 Å²	22.8	16%	0.162	14%	0.138	C	C	.	.	S	Bend	trans	-76.4	-6.1	174.1	-68.6	88.9	0	0	0	114	I197 C200 C314 P315 T316 H318	I197-H249 HydrophobicContact CD1-CB 4.3Å; I197-H249 HydrophobicContact CG2-CB 4.24Å; C200-H249 PolarHBondContact SG-NE2 3.23Å; H249-C314 VanDerWaalsContact CE1-SG 3.59Å; H249-C314 PolarHBondContact NE2-SG 2.9Å; H249-P315 PolarHBondContact CE1-O 3.26Å; H249-P315 PolarHBondContact ND1-O 2.97Å; H249-T316 PolarHBondContact ND1-O 3.3Å; H249-H318 AromaticContact CE1-CD2 3.69Å; H249-H318 AromaticContact CE1-NE2 3.34Å; H249-H318 PolarHBondContact CE1-NE2 3.44Å; H249-H318 VanDerWaalsContact CE1-NE2 3.34Å; H249-H318 AromaticContact NE2-NE2 3.66Å
250	S	90.2	Very high	91.1	Very high	51 Å²	51	25.7 Å²	25.7	36%	0.357	15%	0.153	S	C	.	.	S	Bend	trans	-143.3	154.7	177.2	59	0	0	0	0	109.8	C248 V252	C248-S250 VanDerWaalsContact CB-O 3.24Å; C248-S250 WeakPolarHBondContact CB-O 3.39Å; C248-S250 PolarHBondContact O-N 3.01Å; S250-V252 PolarHBondContact O-N 2.74Å
251	E	89.8	Confident	90.8	Very high	97 Å²	97	23.8 Å²	23.8	45%	0.453	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-67.2	130.6	176.3	-162.8	173.8	-161.1	0	0	110.2	Y211 Y213 K274	Y211-E251 HydrophobicContact CD1-CB 4.11Å; Y211-E251 HydrophobicContact CD1-CG 4.17Å; Y211-E251 HydrophobicContact CE1-CB 4.01Å; Y211-E251 HydrophobicContact CE1-CG 4.3Å; Y211-E251 HydrophobicContact CG-CB 4.41Å; Y213-E251 WeakPolarHBondContact OH-CG 3.41Å; E251-K274 IonicContact OE1-NZ 2.99Å
252	V	88.9	Confident	90.4	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.024	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-71.6	127.8	176.5	179.9	0	0	0	0	107.6	I33 Y213 S250 A254 I256 L272 I505	I33-V252 HydrophobicContact CD1-CB 4.25Å; I33-V252 HydrophobicContact CD1-CG1 4.31Å; Y213-V252 HydrophobicContact CD2-CG2 4.14Å; Y213-V252 HydrophobicContact CE2-CB 4.22Å; Y213-V252 HydrophobicContact CE2-CG2 3.67Å; Y213-V252 PolarHBondContact OH-N 3.1Å; S250-V252 PolarHBondContact O-N 2.74Å; V252-A254 PolarHBondContact O-N 3.02Å; V252-I256 HydrophobicContact CG1-CB 4.42Å; V252-I256 HydrophobicContact CG1-CD1 4.1Å; V252-I256 HydrophobicContact CG1-CG2 3.81Å; V252-L272 HydrophobicContact CB-CD1 4.45Å; V252-L272 HydrophobicContact CG1-CD1 3.94Å; V252-L272 HydrophobicContact CG2-CD1 4.35Å; V252-I505 HydrophobicContact CG2-CG2 4.16Å
253	P	85.1	Confident	90.2	Very high	13 Å²	13	23.6 Å²	23.6	8%	0.084	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-55.9	130.4	-179.2	5.9	-12.6	0	0	0	111.4	T255 I256 L509	P253-T255 PolarHBondContact O-N 3.04Å; P253-I256 WeakPolarHBondContact O-CB 3.23Å; P253-I256 VanDerWaalsContact O-CG2 3.27Å; P253-I256 WeakPolarHBondContact O-CG2 3.16Å; P253-I256 PolarHBondContact O-N 2.77Å; P253-L509 HydrophobicContact CG-CD2 4.25Å
254	A	83.1	Confident	89.8	Confident	68 Å²	68	25.2 Å²	25.2	56%	0.562	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20	179.6	0	0	0	0	0	113.7	V252 I256	V252-A254 PolarHBondContact O-N 3.02Å; A254-I256 VanDerWaalsContact C-N 3.34Å
255	T	82.5	Confident	89.4	Confident	77 Å²	77	26.2 Å²	26.2	47%	0.472	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-0.4	177.6	51.7	0	0	0	0	114.1	P253 R525	P253-T255 PolarHBondContact O-N 3.04Å; T255-R525 WeakPolarHBondContact OG1-CD 3.44Å
256	I	89.1	Confident	89	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-62.3	131.6	176.4	-166.9	172.7	0	0	0	109.5	S32 I33 V252 P253 A254 M501 I505 H508	S32-I256 WeakPolarHBondContact CB-O 3.24Å; S32-I256 WeakPolarHBondContact OG-CG2 3.48Å; S32-I256 PolarHBondContact OG-O 3.35Å; I33-I256 HydrophobicContact CG1-CG2 4.44Å; V252-I256 HydrophobicContact CG1-CB 4.42Å; V252-I256 HydrophobicContact CG1-CD1 4.1Å; V252-I256 HydrophobicContact CG1-CG2 3.81Å; P253-I256 WeakPolarHBondContact O-CB 3.23Å; P253-I256 VanDerWaalsContact O-CG2 3.27Å; P253-I256 WeakPolarHBondContact O-CG2 3.16Å; P253-I256 PolarHBondContact O-N 2.77Å; A254-I256 VanDerWaalsContact C-N 3.34Å; I256-M501 HydrophobicContact CD1-CE 4.34Å; I256-I505 HydrophobicContact CD1-CG1 4.11Å; I256-H508 HydrophobicContact CD1-CB 3.88Å; I256-H508 HydrophobicContact CG1-CB 3.92Å
257	P	89.6	Confident	88.7	Confident	12 Å²	12	30.5 Å²	30.5	8%	0.078	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-79.7	158.9	176.8	31.5	-34.7	0	0	0	111.7	H504 H508 A526	P257-H504 PolarHBondContact O-NE2 3.1Å; P257-H508 WeakPolarHBondContact CD-CE1 3.41Å; P257-A526 HydrophobicContact CB-CB 3.9Å; P257-A526 HydrophobicContact CG-CB 4.1Å
258	D	90.1	Very high	88.5	Confident	20 Å²	20	30.5 Å²	30.5	11%	0.107	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-62.9	142	171.9	-66.4	-46.2	0	0	0	111	S32 K269 S271	S32-D258 WeakPolarHBondContact CA-OD1 3.47Å; S32-D258 WeakPolarHBondContact CB-OD1 3.45Å; D258-K269 HydrophobicContact CB-CD 4.45Å; D258-K269 VanDerWaalsContact CB-CE 3.46Å; D258-K269 HydrophobicContact CB-CG 4.12Å; D258-K269 WeakPolarHBondContact OD2-CE 3.37Å; D258-K269 IonicContact OD2-NZ 2.75Å; D258-K269 PolarHBondContact OD2-NZ 2.91Å; D258-S271 WeakPolarHBondContact OD1-CB 3.36Å
259	R	91.5	Very high	88.4	Confident	17 Å²	17	33.1 Å²	33.1	6%	0.064	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.8	179.4	-178.2	75.4	-128.3	174.3	14.8	110.8	L270 V500 M501 H504 E529 P539	R259-L270 HydrophobicContact CB-CB 4.17Å; R259-L270 HydrophobicContact CB-CD1 4.45Å; R259-L270 HydrophobicContact CG-CD1 4.3Å; R259-L270 PolarHBondContact N-O 3.03Å; R259-L270 PolarHBondContact O-N 3.33Å; R259-V500 HydrophobicContact CG-CG1 4.02Å; R259-M501 HydrophobicContact CB-SD 4.4Å; R259-H504 VanDerWaalsContact CD-ND1 3.3Å; R259-H504 WeakPolarHBondContact CD-ND1 3.1Å; R259-H504 PolarHBondContact NH1-ND1 3.41Å; R259-E529 IonicContact CZ-OE1 2.74Å; R259-E529 IonicContact NH1-OE1 2.75Å; R259-E529 PolarHBondContact NH1-OE1 3.05Å; R259-E529 IonicContact NH2-OE1 2.82Å; R259-E529 PolarHBondContact NH2-OE1 2.81Å; R259-P539 VanDerWaalsContact NH2-CG 3.35Å
260	L	88.6	Confident	88.5	Confident	60 Å²	60	31.4 Å²	31.4	31%	0.314	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.7	169	-59.2	179.5	0	0	0	110.8	Y268 K269 M598	L260-Y268 WeakPolarHBondContact CA-O 3.29Å; L260-K269 HydrophobicContact CD2-CB 3.98Å; L260-K269 HydrophobicContact CD2-CG 4.11Å; L260-M598 HydrophobicContact CB-CE 4.25Å; L260-M598 HydrophobicContact CD1-CE 4.37Å
261	M	87.8	Confident	88.6	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.2	173.2	71	173.3	-55.8	0	0	111.3	R263 E267 Y268 L270 K497 V500	M261-R263 HydrophobicContact CE-CB 4.46Å; M261-E267 CarbonylContact O-C 3.54Å; M261-E267 WeakPolarHBondContact O-CA 3.49Å; M261-Y268 HydrophobicContact CG-CD2 4.43Å; M261-Y268 PolarHBondContact N-O 2.78Å; M261-Y268 PolarHBondContact O-N 2.83Å; M261-L270 HydrophobicContact SD-CD1 3.92Å; M261-L270 HydrophobicContact SD-CD2 4.16Å; M261-L270 HydrophobicContact SD-CG 4.31Å; M261-K497 HydrophobicContact CE-CG 4.48Å; M261-K497 HydrophobicContact SD-CB 4.37Å; M261-K497 HydrophobicContact SD-CD 4.34Å; M261-K497 HydrophobicContact SD-CG 3.82Å; M261-V500 HydrophobicContact CE-CG2 4.25Å
262	I	87.1	Confident	88.8	Confident	23 Å²	23	24.6 Å²	24.6	12%	0.118	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.4	179	-54.7	-176.4	0	0	0	109.8	I266 E267 N540 I567 Q571	I262-I266 WeakPolarHBondContact CA-O 3.43Å; I262-E267 HydrophobicContact CG1-CG 4.45Å; I262-N540 PolarHBondContact N-OD1 3.48Å; I262-N540 VanDerWaalsContact O-CG 3.26Å; I262-N540 PolarHBondContact O-ND2 3.47Å; I262-N540 PolarHBondContact O-OD1 2.98Å; I262-I567 HydrophobicContact CD1-CG2 3.75Å; I262-Q571 HydrophobicContact CD1-CG 4.27Å
263	R	86.7	Confident	88.9	Confident	13 Å²	13	25.9 Å²	25.9	5%	0.049	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134.3	177.9	-159.5	174.8	171	143.3	-25.2	109.9	M261 N265 I266 Y268	M261-R263 HydrophobicContact CE-CB 4.46Å; R263-N265 PolarHBondContact O-N 3.49Å; R263-I266 PolarHBondContact N-O 3.35Å; R263-I266 PolarHBondContact O-N 2.75Å; R263-Y268 HydrophobicContact CB-CD2 4.21Å; R263-Y268 HydrophobicContact CB-CE2 3.93Å
264	W	86.5	Confident	89.1	Confident	35 Å²	35	29.6 Å²	29.6	13%	0.133	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	32.4	-170.5	-48.3	-84.5	0	0	0	114.5	N222 I266 Y268 L552 P560 Y562 G563	N222-W264 HydrophobicContact CB-CE3 4.43Å; N222-W264 HydrophobicContact CB-CH2 4.46Å; N222-W264 HydrophobicContact CB-CZ3 4.11Å; W264-I266 PolarHBondContact O-N 2.7Å; W264-Y268 HydrophobicContact CE3-CE2 4.14Å; W264-Y268 HydrophobicContact CZ3-CE2 4.29Å; W264-L552 HydrophobicContact CH2-CD2 4.31Å; W264-L552 HydrophobicContact CZ2-CD1 4.47Å; W264-L552 HydrophobicContact CZ2-CD2 3.74Å; W264-P560 HydrophobicContact CD2-CB 4.24Å; W264-P560 HydrophobicContact CG-CB 4.21Å; W264-P560 HydrophobicContact CZ2-CB 4.37Å; W264-Y562 HydrophobicContact CB-CD1 3.81Å; W264-Y562 HydrophobicContact CB-CE1 4.02Å; W264-Y562 HydrophobicContact CB-CG 4.4Å; W264-Y562 AromaticContact CD1-CE1 3.61Å; W264-Y562 AromaticContact CD1-CZ 3.75Å; W264-Y562 HydrophobicContact CG-CD1 4.47Å; W264-Y562 HydrophobicContact CG-CE1 4.22Å; W264-Y562 CarbonylContact O-C 3.19Å; W264-Y562 WeakPolarHBondContact O-CA 3.33Å; W264-G563 PolarHBondContact O-N 3.05Å
265	N	85.9	Confident	89.3	Confident	20 Å²	20	27.2 Å²	27.2	11%	0.107	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	25.4	-173.7	-47	-33.5	0	0	0	114	R263 G563 I567 Q568	R263-N265 PolarHBondContact O-N 3.49Å; N265-G563 WeakPolarHBondContact O-CA 3.48Å; N265-I567 WeakPolarHBondContact O-CD1 3.34Å; N265-Q568 PolarHBondContact OD1-NE2 3.4Å
266	I	88.8	Confident	89.6	Confident	18 Å²	18	26.5 Å²	26.5	9%	0.092	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.7	170.2	-58	172	0	0	0	106.4	P219 I221 I262 R263 W264 Y268	P219-I266 HydrophobicContact CG-CG2 3.9Å; I221-I266 HydrophobicContact CB-CD1 4.21Å; I221-I266 HydrophobicContact CD1-CD1 4.41Å; I221-I266 HydrophobicContact CG2-CD1 3.65Å; I262-I266 WeakPolarHBondContact CA-O 3.43Å; R263-I266 PolarHBondContact N-O 3.35Å; R263-I266 PolarHBondContact O-N 2.75Å; W264-I266 PolarHBondContact O-N 2.7Å; I266-Y268 HydrophobicContact CB-CE2 3.8Å; I266-Y268 HydrophobicContact CG2-CD2 4.39Å; I266-Y268 HydrophobicContact CG2-CE1 4.21Å; I266-Y268 HydrophobicContact CG2-CE2 3.92Å; I266-Y268 WeakPolarHBondContact O-CD2 3.1Å
267	E	88.5	Confident	89.7	Confident	73 Å²	73	27.7 Å²	27.7	34%	0.341	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112.4	174.3	-170.5	176.9	-75.3	0	0	107.8	P219 M261 I262 R570	P219-E267 WeakPolarHBondContact CD-O 3.35Å; M261-E267 CarbonylContact O-C 3.54Å; M261-E267 WeakPolarHBondContact O-CA 3.49Å; I262-E267 HydrophobicContact CG1-CG 4.45Å; E267-R570 IonicContact OE1-NH1 3.46Å
268	Y	91.7	Very high	89.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.7	173.8	-61	-90	0	0	0	108.9	V217 S218 P219 I221 L260 M261 R263 W264 I266	V217-Y268 HydrophobicContact CG1-CD1 3.89Å; S218-Y268 WeakPolarHBondContact O-CA 3.49Å; P219-Y268 WeakPolarHBondContact O-CD1 3.36Å; P219-Y268 WeakPolarHBondContact O-CE1 3.43Å; I221-Y268 VanDerWaalsContact O-CE1 3.29Å; I221-Y268 WeakPolarHBondContact O-CE1 3.19Å; I221-Y268 PolarHBondContact O-OH 3.29Å; I221-Y268 VanDerWaalsContact O-OH 3.07Å; L260-Y268 WeakPolarHBondContact CA-O 3.29Å; M261-Y268 HydrophobicContact CG-CD2 4.43Å; M261-Y268 PolarHBondContact N-O 2.78Å; M261-Y268 PolarHBondContact O-N 2.83Å; R263-Y268 HydrophobicContact CB-CD2 4.21Å; R263-Y268 HydrophobicContact CB-CE2 3.93Å; W264-Y268 HydrophobicContact CE3-CE2 4.14Å; W264-Y268 HydrophobicContact CZ3-CE2 4.29Å; I266-Y268 HydrophobicContact CB-CE2 3.8Å; I266-Y268 HydrophobicContact CG2-CD2 4.39Å; I266-Y268 HydrophobicContact CG2-CE1 4.21Å; I266-Y268 HydrophobicContact CG2-CE2 3.92Å; I266-Y268 WeakPolarHBondContact O-CD2 3.1Å
269	K	92.7	Very high	89.8	Confident	57 Å²	57	29.4 Å²	29.4	25%	0.248	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.7	170.4	-178	172.8	177.6	161.5	0	108.2	S218 D258 L260	S218-K269 PolarHBondContact N-O 2.86Å; S218-K269 PolarHBondContact O-N 3.04Å; D258-K269 HydrophobicContact CB-CD 4.45Å; D258-K269 VanDerWaalsContact CB-CE 3.46Å; D258-K269 HydrophobicContact CB-CG 4.12Å; D258-K269 WeakPolarHBondContact OD2-CE 3.37Å; D258-K269 IonicContact OD2-NZ 2.75Å; D258-K269 PolarHBondContact OD2-NZ 2.91Å; L260-K269 HydrophobicContact CD2-CB 3.98Å; L260-K269 HydrophobicContact CD2-CG 4.11Å
270	L	93.6	Very high	89.9	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.8	174.2	-42.3	178.1	0	0	0	108.4	L215 S216 V217 R259 M261 K497 V500 M501	L215-L270 HydrophobicContact CD1-CB 4.18Å; S216-L270 WeakPolarHBondContact O-CA 3.48Å; V217-L270 HydrophobicContact CB-CD2 4.31Å; V217-L270 HydrophobicContact CG1-CD2 3.9Å; V217-L270 HydrophobicContact CG2-CD2 3.82Å; R259-L270 HydrophobicContact CB-CB 4.17Å; R259-L270 HydrophobicContact CB-CD1 4.45Å; R259-L270 HydrophobicContact CG-CD1 4.3Å; R259-L270 PolarHBondContact N-O 3.03Å; R259-L270 PolarHBondContact O-N 3.33Å; M261-L270 HydrophobicContact SD-CD1 3.92Å; M261-L270 HydrophobicContact SD-CD2 4.16Å; M261-L270 HydrophobicContact SD-CG 4.31Å; L270-K497 HydrophobicContact CD1-CB 4.4Å; L270-K497 HydrophobicContact CD2-CB 4.14Å; L270-K497 HydrophobicContact CD2-CD 4.03Å; L270-K497 HydrophobicContact CD2-CG 4.42Å; L270-V500 HydrophobicContact CD1-CB 4.27Å; L270-V500 HydrophobicContact CD1-CG1 4.35Å; L270-M501 HydrophobicContact CB-SD 4.36Å
271	S	93.2	Very high	90.2	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.6	178	56.4	0	0	0	0	110.4	S216 D258	S216-S271 PolarHBondContact N-O 3.35Å; S216-S271 PolarHBondContact O-N 2.68Å; D258-S271 WeakPolarHBondContact OD1-CB 3.36Å
272	L	93.1	Very high	90.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135	173.5	-64.1	177.3	0	0	0	109.1	I33 R34 Y213 K214 I246 V252 M501 I505	I33-L272 VanDerWaalsContact CA-O 3.29Å; I33-L272 WeakPolarHBondContact CA-O 3.33Å; I33-L272 HydrophobicContact CG1-CB 4.41Å; R34-L272 PolarHBondContact N-O 2.64Å; R34-L272 VanDerWaalsContact N-O 3.11Å; Y213-L272 HydrophobicContact CD1-CB 4.39Å; K214-L272 CarbonylContact O-C 3.48Å; K214-L272 WeakPolarHBondContact O-CA 3.47Å; I246-L272 HydrophobicContact CD1-CD2 3.89Å; V252-L272 HydrophobicContact CB-CD1 4.45Å; V252-L272 HydrophobicContact CG1-CD1 3.94Å; V252-L272 HydrophobicContact CG2-CD1 4.35Å; L272-M501 HydrophobicContact CD1-CE 3.72Å; L272-M501 HydrophobicContact CD2-CE 3.89Å; L272-M501 HydrophobicContact CD2-CG 4.11Å; L272-M501 HydrophobicContact CD2-SD 4.47Å; L272-M501 HydrophobicContact CG-CE 3.58Å; L272-I505 HydrophobicContact CD1-CD1 4.08Å; L272-I505 HydrophobicContact CD1-CG1 4.41Å; L272-I505 HydrophobicContact CD2-CD1 4.49Å
273	E	90.9	Very high	90.9	Very high	31 Å²	31	26.3 Å²	26.3	15%	0.145	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.4	172.1	-64.8	176.2	-176.3	0	0	108.6	R34 Y213 K214 S216 E275	R34-E273 HydrophobicContact CB-CG 4.39Å; R34-E273 CarbonylContact O-C 3.5Å; R34-E273 VanDerWaalsContact O-CA 3.26Å; R34-E273 WeakPolarHBondContact O-CA 3.33Å; Y213-E273 CarbonylContact C-O 3.53Å; Y213-E273 WeakPolarHBondContact CA-O 3.26Å; K214-E273 HydrophobicContact CB-CB 4.22Å; K214-E273 PolarHBondContact N-O 3.2Å; K214-E273 PolarHBondContact O-N 3.07Å; S216-E273 VanDerWaalsContact CB-CD 3.48Å; S216-E273 WeakPolarHBondContact CB-OE1 3.29Å; S216-E273 PolarHBondContact OG-OE1 2.98Å; E273-E275 PolarHBondContact O-N 2.68Å
274	K	89.8	Confident	91.3	Very high	91 Å²	91	28.5 Å²	28.5	40%	0.396	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	115.8	174.4	-166.9	170.3	-177	169.7	0	107.6	I33 R34 A36 E251	I33-K274 HydrophobicContact CG2-CB 3.82Å; R34-K274 PolarHBondContact O-N 2.86Å; A36-K274 PolarHBondContact N-O 3.22Å; A36-K274 VanDerWaalsContact N-O 3.13Å; E251-K274 IonicContact OE1-NZ 2.99Å
275	E	87.7	Confident	91.7	Very high	18 Å²	18	26.8 Å²	26.8	8%	0.084	14%	0.135	C	C	.	.			trans	-118.5	166.4	178.8	-88.4	-172.2	-148.8	0	0	110.5	A36 H38 Y212 K214 E273 R322	A36-E275 HydrophobicContact CB-CB 4.45Å; A36-E275 HydrophobicContact CB-CG 3.32Å; H38-E275 IonicContact CE1-OE1 2.87Å; H38-E275 PolarHBondContact CE1-OE1 2.87Å; H38-E275 VanDerWaalsContact NE2-CD 3.35Å; H38-E275 IonicContact NE2-OE1 2.69Å; H38-E275 PolarHBondContact NE2-OE1 3.04Å; H38-E275 IonicContact NE2-OE2 3.17Å; Y212-E275 HydrophobicContact CD1-CB 4.02Å; Y212-E275 HydrophobicContact CE1-CB 3.73Å; K214-E275 WeakPolarHBondContact CD-OE1 3.33Å; K214-E275 IonicContact NZ-OE1 3.94Å; E273-E275 PolarHBondContact O-N 2.68Å; E275-R322 IonicContact OE1-CZ 3.39Å; E275-R322 IonicContact OE1-NH1 3.62Å; E275-R322 PolarHBondContact OE1-NH1 3.43Å; E275-R322 IonicContact OE1-NH2 3.26Å; E275-R322 PolarHBondContact OE1-NH2 2.91Å; E275-R322 IonicContact OE2-CZ 3.49Å; E275-R322 IonicContact OE2-NH1 2.62Å; E275-R322 PolarHBondContact OE2-NH1 2.88Å; E275-R322 IonicContact OE2-NH2 3.13Å; E275-R322 PolarHBondContact OE2-NH2 3.46Å
276	A	88.5	Confident	92.2	Very high	63 Å²	63	26 Å²	26	52%	0.521	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-58	143.5	170.1	0	0	0	0	0	110.7	L40 Y212	L40-A276 HydrophobicContact CB-CB 4.37Å; L40-A276 HydrophobicContact CD2-CB 4.35Å; L40-A276 WeakPolarHBondContact CD2-O 3.27Å; Y212-A276 WeakPolarHBondContact CD1-O 3.4Å
277	F	90.9	Very high	92.5	Very high	25 Å²	25	27.1 Å²	27.1	11%	0.11	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-68.6	127.5	-177.1	-168.4	-86.5	0	0	0	110.3	R207 L210 L247 F281	R207-F277 HydrophobicContact CB-CE1 4.12Å; R207-F277 HydrophobicContact CB-CZ 4.4Å; R207-F277 HydrophobicContact CG-CD1 4.43Å; R207-F277 HydrophobicContact CG-CE1 4.43Å; L210-F277 HydrophobicContact CB-CE2 3.96Å; L210-F277 HydrophobicContact CB-CZ 4.16Å; L210-F277 WeakPolarHBondContact O-CE2 3.45Å; L247-F277 HydrophobicContact CD2-CE2 3.69Å; L247-F277 HydrophobicContact CD2-CZ 3.98Å; F277-F281 HydrophobicContact CD1-CE1 4.47Å; F277-F281 AromaticContact CE1-CE1 3.64Å; F277-F281 HydrophobicContact CE1-CE1 3.64Å; F277-F281 AromaticContact CE1-CZ 3.98Å; F277-F281 HydrophobicContact CE1-CZ 3.98Å; F277-F281 AromaticContact CZ-CE1 3.92Å; F277-F281 HydrophobicContact CZ-CE1 3.92Å; F277-F281 AromaticContact CZ-CZ 3.81Å; F277-F281 HydrophobicContact CZ-CZ 3.81Å
278	P	91.5	Very high	92.8	Very high	5 Å²	5	24 Å²	24	3%	0.032	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-70	134.6	175.8	28.1	-33	0	0	0	110.5	Y212 F281 I320 L334	Y212-P278 HydrophobicContact CD2-CG 3.75Å; Y212-P278 HydrophobicContact CE2-CG 3.66Å; Y212-P278 VanDerWaalsContact CG-CD 3.44Å; Y212-P278 HydrophobicContact CG-CG 4.22Å; P278-F281 HydrophobicContact CB-CD1 4.35Å; P278-F281 HydrophobicContact CG-CD1 4.19Å; P278-F281 HydrophobicContact CG-CE1 3.99Å; P278-F281 WeakPolarHBondContact O-CD1 3.45Å; P278-F281 WeakPolarHBondContact O-CE1 3.37Å; P278-I320 HydrophobicContact CB-CD1 4.32Å; P278-I320 HydrophobicContact CG-CD1 3.53Å; P278-L334 HydrophobicContact CB-CD2 3.76Å
279	E	90.4	Very high	93.1	Very high	63 Å²	63	24 Å²	24	29%	0.294	13%	0.125	S	C	.	.			trans	-94.2	-41	-174.5	-65.7	178.3	178.6	0	0	113.4	L42 V62 N205 F281	L42-E279 HydrophobicContact CD1-CB 3.68Å; L42-E279 HydrophobicContact CD1-CG 3.59Å; V62-E279 WeakPolarHBondContact CB-O 3.49Å; V62-E279 HydrophobicContact CG2-CB 4.07Å; N205-E279 PolarHBondContact ND2-O 2.95Å; E279-F281 PolarHBondContact O-N 2.85Å
280	Y	93.1	Very high	93.2	Very high	29 Å²	29	22.9 Å²	22.9	11%	0.114	12%	0.119	C	C	.	.	S	Bend	trans	-87.5	66.6	-169.3	-61.1	-72.9	0	0	0	113.5	L42 V43 R44 Y49 M337	L42-Y280 HydrophobicContact CB-CD2 4.01Å; L42-Y280 HydrophobicContact CB-CE2 4Å; L42-Y280 HydrophobicContact CD1-CD2 4.47Å; V43-Y280 WeakPolarHBondContact O-CD2 3.49Å; R44-Y280 HydrophobicContact CB-CE2 4.29Å; R44-Y280 HydrophobicContact CG-CE2 4.13Å; R44-Y280 VanDerWaalsContact CG-OH 3.24Å; R44-Y280 WeakPolarHBondContact CG-OH 3.17Å; Y49-Y280 AromaticContact CD2-CD1 3.99Å; Y49-Y280 HydrophobicContact CD2-CD1 3.99Å; Y49-Y280 HydrophobicContact CD2-CG 4.47Å; Y49-Y280 HydrophobicContact CG-CD1 4.11Å; Y280-M337 PolarHBondContact O-N 2.92Å
281	F	94.9	Very high	93.3	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.133	C	C	.	.			trans	-152.5	161.1	170.4	78.1	-84.6	0	0	0	110.3	N205 L247 F277 P278 E279 D285 I320 M337	N205-F281 HydrophobicContact CB-CD1 4.29Å; N205-F281 HydrophobicContact CB-CE1 3.97Å; N205-F281 HydrophobicContact CB-CE2 4.31Å; N205-F281 HydrophobicContact CB-CZ 3.96Å; N205-F281 WeakPolarHBondContact CB-O 3.39Å; L247-F281 HydrophobicContact CD1-CD2 4.31Å; L247-F281 HydrophobicContact CD1-CE1 4.36Å; L247-F281 HydrophobicContact CD1-CE2 3.43Å; L247-F281 VanDerWaalsContact CD1-CE2 3.43Å; L247-F281 HydrophobicContact CD1-CZ 3.47Å; L247-F281 VanDerWaalsContact CD1-CZ 3.47Å; L247-F281 HydrophobicContact CD2-CZ 3.99Å; L247-F281 HydrophobicContact CG-CZ 4.39Å; F277-F281 HydrophobicContact CD1-CE1 4.47Å; F277-F281 AromaticContact CE1-CE1 3.64Å; F277-F281 HydrophobicContact CE1-CE1 3.64Å; F277-F281 AromaticContact CE1-CZ 3.98Å; F277-F281 HydrophobicContact CE1-CZ 3.98Å; F277-F281 AromaticContact CZ-CE1 3.92Å; F277-F281 HydrophobicContact CZ-CE1 3.92Å; F277-F281 AromaticContact CZ-CZ 3.81Å; F277-F281 HydrophobicContact CZ-CZ 3.81Å; P278-F281 HydrophobicContact CB-CD1 4.35Å; P278-F281 HydrophobicContact CG-CD1 4.19Å; P278-F281 HydrophobicContact CG-CE1 3.99Å; P278-F281 WeakPolarHBondContact O-CD1 3.45Å; P278-F281 WeakPolarHBondContact O-CE1 3.37Å; E279-F281 PolarHBondContact O-N 2.85Å; F281-D285 WeakPolarHBondContact CA-OD2 3.43Å; F281-I320 HydrophobicContact CB-CD1 4.44Å; F281-I320 HydrophobicContact CD1-CD1 3.64Å; F281-I320 HydrophobicContact CD2-CD1 4.07Å; F281-I320 HydrophobicContact CE1-CD1 3.8Å; F281-I320 HydrophobicContact CE2-CD1 4.26Å; F281-I320 HydrophobicContact CG-CD1 3.78Å; F281-I320 HydrophobicContact CG-CG1 4.49Å; F281-I320 HydrophobicContact CZ-CD1 4.14Å; F281-M337 HydrophobicContact CB-CB 3.99Å; F281-M337 HydrophobicContact CB-CG 3.65Å
282	T	95	Very high	93.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.			trans	-119	162.1	164.2	64.4	0	0	0	0	111.5	Y49 A64 L68 P202 L203 E284 D285 C286	Y49-T282 HydrophobicContact CD1-CG2 4.29Å; Y49-T282 HydrophobicContact CE1-CG2 4.01Å; A64-T282 HydrophobicContact CB-CG2 4.11Å; L68-T282 HydrophobicContact CD2-CG2 3.82Å; P202-T282 WeakPolarHBondContact O-CB 3.45Å; L203-T282 WeakPolarHBondContact O-CG2 3.32Å; T282-E284 PolarHBondContact O-N 3.37Å; T282-D285 PolarHBondContact N-OD2 3.06Å; T282-D285 WeakPolarHBondContact O-CB 3.38Å; T282-D285 PolarHBondContact O-N 2.64Å; T282-D285 VanDerWaalsContact O-N 3.16Å; T282-D285 VanDerWaalsContact OG1-CG 3.28Å; T282-D285 PolarHBondContact OG1-N 3.11Å; T282-D285 PolarHBondContact OG1-OD2 2.69Å; T282-C286 PolarHBondContact O-N 2.76Å; T282-C286 PolarHBondContact O-SG 3.18Å
283	V	94.5	Very high	93.5	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.036	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-36.5	175.5	167.3	0	0	0	0	111.3	C200 P202 T204 N206 L210 D285 C286 C287 H318	C200-V283 HydrophobicContact CB-CG1 4.32Å; C200-V283 HydrophobicContact CB-CG2 4.02Å; P202-V283 PolarHBondContact O-N 3.14Å; T204-V283 PolarHBondContact O-N 2.86Å; T204-V283 VanDerWaalsContact O-N 3.1Å; N206-V283 HydrophobicContact CB-CG2 4.5Å; N206-V283 VanDerWaalsContact ND2-CG2 3.34Å; N206-V283 WeakPolarHBondContact ND2-CG2 3.31Å; L210-V283 HydrophobicContact CD1-CG2 4.23Å; V283-D285 PolarHBondContact O-N 2.8Å; V283-C286 WeakPolarHBondContact O-CB 3.34Å; V283-C286 PolarHBondContact O-N 2.83Å; V283-C287 PolarHBondContact O-N 3.03Å; V283-C287 PolarHBondContact O-SG 2.97Å; V283-C287 VanDerWaalsContact O-SG 3.32Å; V283-H318 VanDerWaalsContact CG1-CE1 3.44Å; V283-H318 WeakPolarHBondContact CG1-CE1 3.43Å
284	E	95.3	Very high	93.7	Very high	58 Å²	58	24.2 Å²	24.2	27%	0.271	13%	0.125	S	C	.	.	H	α-helix	trans	-62.1	-40.5	174.8	-170.3	63.4	-165.6	0	0	111.9	P202 T282 C286 C287 L288	P202-E284 HydrophobicContact CB-CB 4.2Å; P202-E284 VanDerWaalsContact O-CB 3.28Å; P202-E284 WeakPolarHBondContact O-CB 3.31Å; P202-E284 PolarHBondContact O-N 3.15Å; T282-E284 PolarHBondContact O-N 3.37Å; E284-C286 PolarHBondContact O-N 2.97Å; E284-C287 PolarHBondContact O-N 2.94Å; E284-C287 VanDerWaalsContact O-N 3.16Å; E284-L288 HydrophobicContact CG-CD1 4.07Å; E284-L288 HydrophobicContact CG-CG 4.22Å; E284-L288 VanDerWaalsContact O-CG 3.31Å; E284-L288 WeakPolarHBondContact O-CG 3.5Å; E284-L288 PolarHBondContact O-N 3.28Å
285	D	96.1	Very high	93.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-53.5	-45.3	174.5	-66.3	-34.5	0	0	0	111.3	Y49 H72 F281 T282 V283 F289 M337 L341	Y49-D285 WeakPolarHBondContact CE1-OD2 3.18Å; Y49-D285 PolarHBondContact OH-OD2 3.4Å; H72-D285 IonicContact CD2-OD1 3.28Å; H72-D285 IonicContact CE1-OD1 3.26Å; H72-D285 IonicContact NE2-OD1 3.27Å; H72-D285 PolarHBondContact NE2-OD1 3.06Å; F281-D285 WeakPolarHBondContact CA-OD2 3.43Å; T282-D285 PolarHBondContact N-OD2 3.06Å; T282-D285 WeakPolarHBondContact O-CB 3.38Å; T282-D285 PolarHBondContact O-N 2.64Å; T282-D285 VanDerWaalsContact O-N 3.16Å; T282-D285 VanDerWaalsContact OG1-CG 3.28Å; T282-D285 PolarHBondContact OG1-N 3.11Å; T282-D285 PolarHBondContact OG1-OD2 2.69Å; V283-D285 PolarHBondContact O-N 2.8Å; D285-F289 WeakPolarHBondContact O-CB 3.32Å; D285-F289 PolarHBondContact O-N 3.15Å; D285-F289 VanDerWaalsContact O-N 3.14Å; D285-M337 HydrophobicContact CB-CB 3.85Å; D285-M337 HydrophobicContact CB-CE 3.94Å; D285-M337 HydrophobicContact CB-CG 4.25Å; D285-L341 HydrophobicContact CB-CD1 4.09Å; D285-L341 VanDerWaalsContact OD1-CD1 3.31Å; D285-L341 WeakPolarHBondContact OD1-CD1 3.02Å
286	C	95.9	Very high	94.2	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.014	11%	0.11	C	C	.	.	H	α-helix	trans	-68.4	-41	-178.5	-58.3	0	0	0	0	111.8	T282 V283 E284 W290 H318 I319	T282-C286 PolarHBondContact O-N 2.76Å; T282-C286 PolarHBondContact O-SG 3.18Å; V283-C286 WeakPolarHBondContact O-CB 3.34Å; V283-C286 PolarHBondContact O-N 2.83Å; E284-C286 PolarHBondContact O-N 2.97Å; C286-W290 WeakPolarHBondContact O-CB 3.44Å; C286-W290 PolarHBondContact O-N 2.7Å; C286-H318 HydrophobicContact CB-CB 4Å; C286-I319 WeakPolarHBondContact CB-O 3.28Å; C286-I319 PolarHBondContact SG-O 2.91Å; C286-I319 VanDerWaalsContact SG-O 3.39Å
287	C	94.9	Very high	94.5	Very high	43 Å²	43	17.4 Å²	17.4	29%	0.291	9%	0.085	S	C	.	.	H	α-helix	trans	-66.8	-44.8	179.6	-71.3	0	0	0	0	112	V283 E284 W290 Q291	V283-C287 PolarHBondContact O-N 3.03Å; V283-C287 PolarHBondContact O-SG 2.97Å; V283-C287 VanDerWaalsContact O-SG 3.32Å; E284-C287 PolarHBondContact O-N 2.94Å; E284-C287 VanDerWaalsContact O-N 3.16Å; C287-W290 PolarHBondContact O-N 2.98Å; C287-Q291 PolarHBondContact O-N 3.34Å
288	L	96.2	Very high	94.7	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-60.9	-46.4	176.4	-68.7	174.7	0	0	0	111.1	H72 F75 L80 E284 Q291 Y292	H72-L288 HydrophobicContact CB-CD1 3.86Å; F75-L288 HydrophobicContact CD1-CB 4.07Å; F75-L288 HydrophobicContact CD1-CD1 4.5Å; F75-L288 HydrophobicContact CD1-CD2 4.43Å; F75-L288 HydrophobicContact CE1-CB 4.18Å; L80-L288 HydrophobicContact CD1-CD2 3.52Å; E284-L288 HydrophobicContact CG-CD1 4.07Å; E284-L288 HydrophobicContact CG-CG 4.22Å; E284-L288 VanDerWaalsContact O-CG 3.31Å; E284-L288 WeakPolarHBondContact O-CG 3.5Å; E284-L288 PolarHBondContact O-N 3.28Å; L288-Q291 PolarHBondContact O-N 3.45Å; L288-Y292 WeakPolarHBondContact O-CB 3.37Å; L288-Y292 PolarHBondContact O-N 3.05Å
289	F	96.1	Very high	94.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-44.1	177	179.4	-95	0	0	0	112.2	Y244 D285 Y292 F293 F294 I319 P321 M337 L341 L344 M487 M491	Y244-F289 AromaticContact CE1-CE1 3.93Å; Y244-F289 HydrophobicContact CE1-CE1 3.93Å; Y244-F289 HydrophobicContact CE1-CZ 4.22Å; D285-F289 WeakPolarHBondContact O-CB 3.32Å; D285-F289 PolarHBondContact O-N 3.15Å; D285-F289 VanDerWaalsContact O-N 3.14Å; F289-Y292 PolarHBondContact O-N 3.26Å; F289-F293 HydrophobicContact CE1-CB 4.18Å; F289-F293 HydrophobicContact CE1-CD1 4.14Å; F289-F293 HydrophobicContact CE1-CG 4.45Å; F289-F293 HydrophobicContact CE2-CB 4.21Å; F289-F293 HydrophobicContact CZ-CB 3.94Å; F289-F293 AromaticContact CZ-CD1 3.94Å; F289-F293 HydrophobicContact CZ-CD1 3.94Å; F289-F293 HydrophobicContact CZ-CG 4.02Å; F289-F293 WeakPolarHBondContact O-CB 3.39Å; F289-F293 PolarHBondContact O-N 2.99Å; F289-F294 HydrophobicContact CE1-CE2 4.22Å; F289-I319 HydrophobicContact CD1-CD1 3.78Å; F289-I319 HydrophobicContact CD1-CG1 4.31Å; F289-I319 HydrophobicContact CE1-CD1 3.79Å; F289-P321 HydrophobicContact CD1-CG 4.14Å; F289-P321 HydrophobicContact CD2-CG 4.08Å; F289-P321 HydrophobicContact CE1-CB 4.16Å; F289-P321 HydrophobicContact CE1-CG 3.94Å; F289-P321 HydrophobicContact CE2-CB 4.29Å; F289-P321 HydrophobicContact CE2-CG 3.87Å; F289-P321 HydrophobicContact CG-CG 4.22Å; F289-P321 HydrophobicContact CZ-CB 3.87Å; F289-P321 HydrophobicContact CZ-CG 3.8Å; F289-M337 HydrophobicContact CB-CE 4.13Å; F289-L341 HydrophobicContact CB-CD2 4.46Å; F289-L344 HydrophobicContact CD2-CD1 3.86Å; F289-L344 HydrophobicContact CE2-CD1 4.01Å; F289-M487 HydrophobicContact CE2-CE 3.88Å; F289-M487 HydrophobicContact CZ-CE 4.04Å; F289-M491 HydrophobicContact CE2-CE 4.1Å; F289-M491 HydrophobicContact CZ-CE 3.72Å
290	W	95.7	Very high	94.9	Very high	34 Å²	34	13.6 Å²	13.6	13%	0.129	7%	0.068	C	C	.	.	H	α-helix	trans	-58.1	-50.7	177.6	175.2	-90.8	0	0	0	112	C286 C287 Y292 F294 V295 V303 L305 I319 F502	C286-W290 WeakPolarHBondContact O-CB 3.44Å; C286-W290 PolarHBondContact O-N 2.7Å; C287-W290 PolarHBondContact O-N 2.98Å; W290-Y292 PolarHBondContact O-N 2.93Å; W290-F294 HydrophobicContact CD2-CB 4.07Å; W290-F294 HydrophobicContact CD2-CD2 4.18Å; W290-F294 HydrophobicContact CD2-CG 4.2Å; W290-F294 HydrophobicContact CE3-CB 4.15Å; W290-F294 HydrophobicContact CE3-CD1 4.36Å; W290-F294 AromaticContact CE3-CD2 3.57Å; W290-F294 HydrophobicContact CE3-CD2 3.57Å; W290-F294 HydrophobicContact CE3-CE2 4.06Å; W290-F294 AromaticContact CE3-CG 3.76Å; W290-F294 HydrophobicContact CE3-CG 3.76Å; W290-F294 HydrophobicContact CH2-CB 4.24Å; W290-F294 AromaticContact CH2-CD1 3.98Å; W290-F294 HydrophobicContact CH2-CD1 3.98Å; W290-F294 HydrophobicContact CH2-CG 4.03Å; W290-F294 HydrophobicContact CZ2-CB 4.16Å; W290-F294 HydrophobicContact CZ2-CG 4.44Å; W290-F294 HydrophobicContact CZ3-CB 4.23Å; W290-F294 AromaticContact CZ3-CD1 3.79Å; W290-F294 HydrophobicContact CZ3-CD1 3.79Å; W290-F294 AromaticContact CZ3-CD2 3.82Å; W290-F294 HydrophobicContact CZ3-CD2 3.82Å; W290-F294 HydrophobicContact CZ3-CE1 4.07Å; W290-F294 HydrophobicContact CZ3-CE2 4.12Å; W290-F294 AromaticContact CZ3-CG 3.66Å; W290-F294 HydrophobicContact CZ3-CG 3.66Å; W290-F294 HydrophobicContact CZ3-CZ 4.23Å; W290-F294 WeakPolarHBondContact O-CB 3.25Å; W290-F294 PolarHBondContact O-N 3.3Å; W290-V295 PolarHBondContact O-N 3.29Å; W290-V303 HydrophobicContact CH2-CG1 3.89Å; W290-V303 HydrophobicContact CZ2-CG1 3.93Å; W290-L305 HydrophobicContact CD2-CD1 3.65Å; W290-L305 HydrophobicContact CE3-CD1 3.88Å; W290-L305 HydrophobicContact CG-CD1 4.38Å; W290-L305 HydrophobicContact CH2-CD1 3.66Å; W290-L305 HydrophobicContact CH2-CD2 3.87Å; W290-L305 HydrophobicContact CH2-CG 3.88Å; W290-L305 HydrophobicContact CZ2-CD1 3.39Å; W290-L305 HydrophobicContact CZ2-CD2 4.02Å; W290-L305 HydrophobicContact CZ2-CG 3.53Å; W290-L305 HydrophobicContact CZ3-CD1 3.9Å; W290-I319 HydrophobicContact CE3-CD1 3.66Å; W290-I319 HydrophobicContact CE3-CG1 4.06Å; W290-I319 HydrophobicContact CE3-CG2 4.49Å; W290-I319 HydrophobicContact CZ3-CD1 4.24Å; W290-F502 HydrophobicContact CH2-CE2 4.05Å; W290-F502 AromaticContact CZ3-CE2 3.84Å; W290-F502 HydrophobicContact CZ3-CE2 3.84Å
291	Q	95.1	Very high	94.8	Very high	63 Å²	63	14.4 Å²	14.4	29%	0.294	7%	0.071	S	C	.	.	I	π-helix	trans	-60.8	-46.6	-178.9	-178.2	58.5	42.6	0	0	111	L80 C287 L288 V295 D296	L80-Q291 HydrophobicContact CD1-CB 4.42Å; L80-Q291 HydrophobicContact CD1-CG 4.26Å; L80-Q291 HydrophobicContact CD2-CB 4.19Å; L80-Q291 HydrophobicContact CD2-CG 3.86Å; C287-Q291 PolarHBondContact O-N 3.34Å; L288-Q291 PolarHBondContact O-N 3.45Å; Q291-V295 VanDerWaalsContact O-CB 3.32Å; Q291-V295 WeakPolarHBondContact O-CB 3.46Å; Q291-V295 PolarHBondContact O-N 2.95Å; Q291-D296 PolarHBondContact NE2-OD1 2.63Å; Q291-D296 PolarHBondContact O-N 3.39Å
292	Y	95.9	Very high	94.4	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-65.1	-52.8	179.2	178.8	-117.4	0	0	0	112.2	F75 L79 Y83 L288 F289 W290 D296 L297 L344 Y348 M487	F75-Y292 HydrophobicContact CE1-CG 4.3Å; F75-Y292 HydrophobicContact CZ-CD1 4.03Å; F75-Y292 HydrophobicContact CZ-CG 4.03Å; L79-Y292 HydrophobicContact CB-CD2 4.08Å; L79-Y292 HydrophobicContact CB-CE2 4.12Å; L79-Y292 HydrophobicContact CD1-CD2 4.21Å; L79-Y292 HydrophobicContact CD1-CE1 4.41Å; L79-Y292 HydrophobicContact CD1-CE2 3.96Å; L79-Y292 HydrophobicContact CD2-CE2 4.13Å; L79-Y292 HydrophobicContact CG-CE2 4.3Å; Y83-Y292 HydrophobicContact CE2-CD2 4.4Å; Y83-Y292 AromaticContact CE2-CE2 3.91Å; Y83-Y292 HydrophobicContact CE2-CE2 3.91Å; L288-Y292 WeakPolarHBondContact O-CB 3.37Å; L288-Y292 PolarHBondContact O-N 3.05Å; F289-Y292 PolarHBondContact O-N 3.26Å; W290-Y292 PolarHBondContact O-N 2.93Å; Y292-D296 VanDerWaalsContact O-CB 3.32Å; Y292-D296 WeakPolarHBondContact O-CB 3.33Å; Y292-D296 PolarHBondContact O-N 2.97Å; Y292-L297 HydrophobicContact CD1-CD1 4.19Å; Y292-L297 HydrophobicContact CE1-CD1 3.66Å; Y292-L297 HydrophobicContact CE1-CG 4.47Å; Y292-L297 HydrophobicContact CE2-CD1 4.29Å; Y292-L297 HydrophobicContact CE2-CD2 4.41Å; Y292-L297 HydrophobicContact CE2-CG 4.28Å; Y292-L297 WeakPolarHBondContact O-CG 3.17Å; Y292-L297 PolarHBondContact O-N 3.3Å; Y292-L344 HydrophobicContact CD1-CD1 4.48Å; Y292-Y348 VanDerWaalsContact OH-CD2 3.31Å; Y292-Y348 WeakPolarHBondContact OH-CD2 3.4Å; Y292-Y348 WeakPolarHBondContact OH-CE2 3.38Å; Y292-M487 HydrophobicContact CE1-SD 4.29Å
293	F	95.8	Very high	94.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-81.2	-52.3	-169.6	-176	-117.1	0	0	0	113.2	Y244 F289 L297 M298 M487 M491 V492	Y244-F293 WeakPolarHBondContact OH-CE1 3.35Å; F289-F293 HydrophobicContact CE1-CB 4.18Å; F289-F293 HydrophobicContact CE1-CD1 4.14Å; F289-F293 HydrophobicContact CE1-CG 4.45Å; F289-F293 HydrophobicContact CE2-CB 4.21Å; F289-F293 HydrophobicContact CZ-CB 3.94Å; F289-F293 AromaticContact CZ-CD1 3.94Å; F289-F293 HydrophobicContact CZ-CD1 3.94Å; F289-F293 HydrophobicContact CZ-CG 4.02Å; F289-F293 WeakPolarHBondContact O-CB 3.39Å; F289-F293 PolarHBondContact O-N 2.99Å; F293-L297 HydrophobicContact CD2-CD1 4.03Å; F293-L297 WeakPolarHBondContact O-CB 3.31Å; F293-M298 HydrophobicContact CD1-SD 4.06Å; F293-M298 HydrophobicContact CE1-SD 3.52Å; F293-M298 VanDerWaalsContact CE1-SD 3.52Å; F293-M298 HydrophobicContact CE2-SD 4.28Å; F293-M298 HydrophobicContact CZ-CG 4.44Å; F293-M298 HydrophobicContact CZ-SD 3.66Å; F293-M298 WeakPolarHBondContact O-CG 3.47Å; F293-M298 PolarHBondContact O-N 3.49Å; F293-M487 HydrophobicContact CB-CE 4.3Å; F293-M487 HydrophobicContact CD1-CE 4.33Å; F293-M487 HydrophobicContact CD2-CE 3.11Å; F293-M487 HydrophobicContact CD2-SD 3.43Å; F293-M487 WeakPolarHBondContact CD2-SD 3.4Å; F293-M487 HydrophobicContact CE2-CE 3.32Å; F293-M487 HydrophobicContact CE2-SD 3.8Å; F293-M487 HydrophobicContact CG-CE 3.66Å; F293-M487 HydrophobicContact CG-SD 4.36Å; F293-M487 HydrophobicContact CZ-CE 4.05Å; F293-M491 HydrophobicContact CE1-CB 4.34Å; F293-M491 HydrophobicContact CE2-CB 4.33Å; F293-M491 HydrophobicContact CZ-CB 3.72Å; F293-V492 HydrophobicContact CE2-CG2 4.23Å; F293-V492 HydrophobicContact CZ-CG2 3.9Å
294	F	95.3	Very high	93.7	Very high	1 Å²	1	19 Å²	19	0%	0.004	10%	0.096	C	C	.	.	I	π-helix	trans	-79.5	-36.5	-174	-74.5	-96.9	0	0	0	112.5	Y244 F289 W290 M298 L300 I319 L498 I499	Y244-F294 HydrophobicContact CE1-CE2 4.45Å; F289-F294 HydrophobicContact CE1-CE2 4.22Å; W290-F294 HydrophobicContact CD2-CB 4.07Å; W290-F294 HydrophobicContact CD2-CD2 4.18Å; W290-F294 HydrophobicContact CD2-CG 4.2Å; W290-F294 HydrophobicContact CE3-CB 4.15Å; W290-F294 HydrophobicContact CE3-CD1 4.36Å; W290-F294 AromaticContact CE3-CD2 3.57Å; W290-F294 HydrophobicContact CE3-CD2 3.57Å; W290-F294 HydrophobicContact CE3-CE2 4.06Å; W290-F294 AromaticContact CE3-CG 3.76Å; W290-F294 HydrophobicContact CE3-CG 3.76Å; W290-F294 HydrophobicContact CH2-CB 4.24Å; W290-F294 AromaticContact CH2-CD1 3.98Å; W290-F294 HydrophobicContact CH2-CD1 3.98Å; W290-F294 HydrophobicContact CH2-CG 4.03Å; W290-F294 HydrophobicContact CZ2-CB 4.16Å; W290-F294 HydrophobicContact CZ2-CG 4.44Å; W290-F294 HydrophobicContact CZ3-CB 4.23Å; W290-F294 AromaticContact CZ3-CD1 3.79Å; W290-F294 HydrophobicContact CZ3-CD1 3.79Å; W290-F294 AromaticContact CZ3-CD2 3.82Å; W290-F294 HydrophobicContact CZ3-CD2 3.82Å; W290-F294 HydrophobicContact CZ3-CE1 4.07Å; W290-F294 HydrophobicContact CZ3-CE2 4.12Å; W290-F294 AromaticContact CZ3-CG 3.66Å; W290-F294 HydrophobicContact CZ3-CG 3.66Å; W290-F294 HydrophobicContact CZ3-CZ 4.23Å; W290-F294 WeakPolarHBondContact O-CB 3.25Å; W290-F294 PolarHBondContact O-N 3.3Å; F294-M298 HydrophobicContact CD1-SD 4.36Å; F294-L300 HydrophobicContact CD1-CD1 3.84Å; F294-L300 WeakPolarHBondContact O-CB 3.38Å; F294-L300 PolarHBondContact O-N 2.92Å; F294-I319 HydrophobicContact CD2-CD1 3.77Å; F294-I319 HydrophobicContact CE2-CD1 3.14Å; F294-I319 HydrophobicContact CZ-CD1 3.92Å; F294-L498 HydrophobicContact CE1-CD2 4.5Å; F294-L498 HydrophobicContact CZ-CD2 3.97Å; F294-I499 HydrophobicContact CE1-CG1 4.48Å
295	V	93.8	Very high	93.4	Very high	23 Å²	23	17 Å²	17	14%	0.139	9%	0.087	C	C	.	.	I	π-helix	trans	-92.3	-51.9	-176.4	-174.4	0	0	0	0	111.6	W290 Q291 E299 Y301	W290-V295 PolarHBondContact O-N 3.29Å; Q291-V295 VanDerWaalsContact O-CB 3.32Å; Q291-V295 WeakPolarHBondContact O-CB 3.46Å; Q291-V295 PolarHBondContact O-N 2.95Å; V295-E299 VanDerWaalsContact O-CA 3.3Å; V295-E299 WeakPolarHBondContact O-CA 3.33Å; V295-E299 PolarHBondContact O-N 3.23Å; V295-Y301 HydrophobicContact CG1-CD1 3.99Å; V295-Y301 HydrophobicContact CG1-CE1 3.86Å
296	D	94	Very high	93	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.011	10%	0.102	C	C	.	.	I	π-helix	trans	-80.2	-46.1	-171.8	-58.4	-21.3	0	0	0	112.5	L80 Y83 R87 Q291 Y292 S383	L80-D296 WeakPolarHBondContact CD2-OD2 3.29Å; Y83-D296 HydrophobicContact CD1-CB 3.69Å; Y83-D296 HydrophobicContact CD2-CB 4.27Å; Y83-D296 HydrophobicContact CE1-CB 4.13Å; Y83-D296 HydrophobicContact CG-CB 3.75Å; R87-D296 IonicContact CZ-OD1 2.9Å; R87-D296 IonicContact NH1-OD1 3.32Å; R87-D296 PolarHBondContact NH1-OD1 3.43Å; R87-D296 IonicContact NH2-OD1 2.79Å; R87-D296 PolarHBondContact NH2-OD1 3.47Å; Q291-D296 PolarHBondContact NE2-OD1 2.63Å; Q291-D296 PolarHBondContact O-N 3.39Å; Y292-D296 VanDerWaalsContact O-CB 3.32Å; Y292-D296 WeakPolarHBondContact O-CB 3.33Å; Y292-D296 PolarHBondContact O-N 2.97Å; D296-S383 PolarHBondContact O-OG 3.47Å
297	L	94.3	Very high	92.4	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	10%	0.102	C	C	.	.	I	π-helix	trans	-81.9	-50.3	-179.9	-64.8	179.6	0	0	0	112.8	Y83 Y292 F293 S383 S384 T485 M487	Y83-L297 HydrophobicContact CE1-CD2 4.38Å; Y83-L297 VanDerWaalsContact OH-CD2 3.29Å; Y83-L297 WeakPolarHBondContact OH-CD2 3.47Å; Y292-L297 HydrophobicContact CD1-CD1 4.19Å; Y292-L297 HydrophobicContact CE1-CD1 3.66Å; Y292-L297 HydrophobicContact CE1-CG 4.47Å; Y292-L297 HydrophobicContact CE2-CD1 4.29Å; Y292-L297 HydrophobicContact CE2-CD2 4.41Å; Y292-L297 HydrophobicContact CE2-CG 4.28Å; Y292-L297 WeakPolarHBondContact O-CG 3.17Å; Y292-L297 PolarHBondContact O-N 3.3Å; F293-L297 HydrophobicContact CD2-CD1 4.03Å; F293-L297 WeakPolarHBondContact O-CB 3.31Å; L297-S383 PolarHBondContact O-OG 2.97Å; L297-S384 PolarHBondContact O-OG 3.17Å; L297-T485 HydrophobicContact CD1-CG2 4.12Å; L297-T485 HydrophobicContact CD2-CG2 3.99Å; L297-M487 HydrophobicContact CD1-SD 3.92Å
298	M	94.8	Very high	91.6	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.02	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.7	-175.1	-69.1	176.3	63.9	0	0	114.6	F293 F294 L300 V492 L496 T551	F293-M298 HydrophobicContact CD1-SD 4.06Å; F293-M298 HydrophobicContact CE1-SD 3.52Å; F293-M298 VanDerWaalsContact CE1-SD 3.52Å; F293-M298 HydrophobicContact CE2-SD 4.28Å; F293-M298 HydrophobicContact CZ-CG 4.44Å; F293-M298 HydrophobicContact CZ-SD 3.66Å; F293-M298 WeakPolarHBondContact O-CG 3.47Å; F293-M298 PolarHBondContact O-N 3.49Å; F294-M298 HydrophobicContact CD1-SD 4.36Å; M298-L300 VanDerWaalsContact C-N 3.31Å; M298-L300 HydrophobicContact CB-CD1 4.04Å; M298-L300 HydrophobicContact CB-CG 3.91Å; M298-L300 HydrophobicContact CE-CD1 3.48Å; M298-L300 VanDerWaalsContact CE-CD1 3.48Å; M298-L300 HydrophobicContact CE-CG 4.31Å; M298-L300 PolarHBondContact O-N 2.91Å; M298-L300 HydrophobicContact SD-CD1 4.28Å; M298-V492 HydrophobicContact CE-CG1 4.08Å; M298-V492 HydrophobicContact SD-CG2 4.46Å; M298-L496 HydrophobicContact CE-CD2 3.36Å; M298-L496 HydrophobicContact CE-CG 3.67Å; M298-T551 HydrophobicContact CB-CG2 3.89Å; M298-T551 HydrophobicContact CE-CG2 3.77Å; M298-T551 HydrophobicContact CG-CG2 3.96Å; M298-T551 PolarHBondContact O-OG1 3.35Å
299	E	94	Very high	90.5	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.023	14%	0.14	C	C	.	.			trans	52.7	41.1	-177	-56.9	-170.4	169.8	0	0	113.5	N164 V295 Y301 R381 P382 S383	N164-E299 HydrophobicContact CB-CB 3.86Å; N164-E299 WeakPolarHBondContact CB-O 3.41Å; N164-E299 PolarHBondContact N-OE2 3.29Å; N164-E299 PolarHBondContact ND2-O 2.96Å; N164-E299 VanDerWaalsContact ND2-O 3.12Å; V295-E299 VanDerWaalsContact O-CA 3.3Å; V295-E299 WeakPolarHBondContact O-CA 3.33Å; V295-E299 PolarHBondContact O-N 3.23Å; E299-Y301 VanDerWaalsContact C-N 3.28Å; E299-Y301 HydrophobicContact CB-CD2 4.35Å; E299-Y301 HydrophobicContact CB-CE2 3.69Å; E299-Y301 HydrophobicContact CG-CE2 4.21Å; E299-Y301 PolarHBondContact O-N 3.45Å; E299-Y301 VanDerWaalsContact O-N 3.09Å; E299-R381 IonicContact OE1-NE 3.33Å; E299-R381 IonicContact OE1-NH2 3.16Å; E299-R381 IonicContact OE2-CZ 2.72Å; E299-R381 IonicContact OE2-NE 2.7Å; E299-R381 IonicContact OE2-NH2 3.51Å; E299-R381 PolarHBondContact OE2-NH2 3.45Å; E299-P382 WeakPolarHBondContact OE1-CA 3.3Å; E299-S383 PolarHBondContact OE1-N 3.3Å
300	L	93	Very high	89.6	Confident	4 Å²	4	24.4 Å²	24.4	2%	0.021	15%	0.145	C	C	.	.			trans	-87.1	62.2	-179.5	-64.8	173	0	0	0	112.4	F294 M298 D302 V303 L496 I499 H547 I548	F294-L300 HydrophobicContact CD1-CD1 3.84Å; F294-L300 WeakPolarHBondContact O-CB 3.38Å; F294-L300 PolarHBondContact O-N 2.92Å; M298-L300 VanDerWaalsContact C-N 3.31Å; M298-L300 HydrophobicContact CB-CD1 4.04Å; M298-L300 HydrophobicContact CB-CG 3.91Å; M298-L300 HydrophobicContact CE-CD1 3.48Å; M298-L300 VanDerWaalsContact CE-CD1 3.48Å; M298-L300 HydrophobicContact CE-CG 4.31Å; M298-L300 PolarHBondContact O-N 2.91Å; M298-L300 HydrophobicContact SD-CD1 4.28Å; L300-D302 VanDerWaalsContact C-N 3.29Å; L300-D302 PolarHBondContact O-N 3.01Å; L300-V303 HydrophobicContact CB-CG2 3.94Å; L300-V303 PolarHBondContact O-N 2.55Å; L300-L496 HydrophobicContact CD1-CD2 4.27Å; L300-L496 HydrophobicContact CD2-CD2 4.29Å; L300-I499 HydrophobicContact CD1-CD1 3.3Å; L300-I499 HydrophobicContact CD2-CD1 4.47Å; L300-I499 HydrophobicContact CG-CD1 4.44Å; L300-H547 HydrophobicContact CD2-CB 4.27Å; L300-I548 HydrophobicContact CD2-CD1 4.03Å
301	Y	90.1	Very high	88.5	Confident	46 Å²	46	33.4 Å²	33.4	18%	0.18	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.4	-171.9	-57.9	-55.3	0	0	0	115.2	N164 V295 E299 V303	N164-Y301 HydrophobicContact CB-CD2 4.42Å; N164-Y301 WeakPolarHBondContact O-CD2 3.36Å; N164-Y301 WeakPolarHBondContact O-CE2 3.35Å; V295-Y301 HydrophobicContact CG1-CD1 3.99Å; V295-Y301 HydrophobicContact CG1-CE1 3.86Å; E299-Y301 VanDerWaalsContact C-N 3.28Å; E299-Y301 HydrophobicContact CB-CD2 4.35Å; E299-Y301 HydrophobicContact CB-CE2 3.69Å; E299-Y301 HydrophobicContact CG-CE2 4.21Å; E299-Y301 PolarHBondContact O-N 3.45Å; E299-Y301 VanDerWaalsContact O-N 3.09Å; Y301-V303 VanDerWaalsContact C-N 3.31Å
302	D	87.6	Confident	87.8	Confident	15 Å²	15	35.2 Å²	35.2	8%	0.08	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	6.8	-177.9	-67.3	-13.5	0	0	0	112.7	R166 G167 L300 N304 T543 N544 H547	R166-D302 WeakPolarHBondContact CA-OD1 3.49Å; G167-D302 PolarHBondContact N-OD1 3.47Å; G167-D302 PolarHBondContact N-OD2 3.27Å; L300-D302 VanDerWaalsContact C-N 3.29Å; L300-D302 PolarHBondContact O-N 3.01Å; D302-N304 PolarHBondContact O-N 3.01Å; D302-T543 PolarHBondContact O-OG1 2.9Å; D302-N544 HydrophobicContact CB-CB 4.16Å; D302-N544 WeakPolarHBondContact OD2-CB 3.23Å; D302-N544 PolarHBondContact OD2-ND2 3.41Å; D302-H547 IonicContact OD1-CE1 3.35Å; D302-H547 IonicContact OD2-CE1 3.91Å; D302-H547 PolarHBondContact OD2-CE1 2.78Å; D302-H547 IonicContact OD2-ND1 3.36Å; D302-H547 IonicContact OD2-NE2 3.95Å
303	V	89	Confident	87.3	Confident	18 Å²	18	37 Å²	37	11%	0.109	21%	0.209	C	C	.	.			trans	-89.5	92.4	173.6	-177	0	0	0	0	109.2	W290 L300 Y301 L305 I499 T543	W290-V303 HydrophobicContact CH2-CG1 3.89Å; W290-V303 HydrophobicContact CZ2-CG1 3.93Å; L300-V303 HydrophobicContact CB-CG2 3.94Å; L300-V303 PolarHBondContact O-N 2.55Å; Y301-V303 VanDerWaalsContact C-N 3.31Å; V303-L305 HydrophobicContact CG1-CD2 4.34Å; V303-L305 PolarHBondContact O-N 3.31Å; V303-I499 HydrophobicContact CG1-CG2 4.38Å; V303-I499 HydrophobicContact CG2-CD1 4.21Å; V303-I499 HydrophobicContact CG2-CG1 4.37Å; V303-I499 HydrophobicContact CG2-CG2 3.95Å; V303-T543 HydrophobicContact CG2-CG2 3.91Å
304	N	85.8	Confident	87	Confident	71 Å²	71	37.3 Å²	37.3	38%	0.38	21%	0.211	S	C	.	.			trans	-85.3	112.1	176.6	-65.3	-36.6	0	0	0	110.4	D302 R506	D302-N304 PolarHBondContact O-N 3.01Å; N304-R506 PolarHBondContact O-NH1 3.32Å
305	L	88	Confident	86.9	Confident	17 Å²	17	38.5 Å²	38.5	9%	0.089	22%	0.219	C	C	.	.			trans	-86.2	-15.6	171.5	-64.3	-172.6	0	0	0	113.4	W290 V303 P315 T316 F317 F502	W290-L305 HydrophobicContact CD2-CD1 3.65Å; W290-L305 HydrophobicContact CE3-CD1 3.88Å; W290-L305 HydrophobicContact CG-CD1 4.38Å; W290-L305 HydrophobicContact CH2-CD1 3.66Å; W290-L305 HydrophobicContact CH2-CD2 3.87Å; W290-L305 HydrophobicContact CH2-CG 3.88Å; W290-L305 HydrophobicContact CZ2-CD1 3.39Å; W290-L305 HydrophobicContact CZ2-CD2 4.02Å; W290-L305 HydrophobicContact CZ2-CG 3.53Å; W290-L305 HydrophobicContact CZ3-CD1 3.9Å; V303-L305 HydrophobicContact CG1-CD2 4.34Å; V303-L305 PolarHBondContact O-N 3.31Å; L305-P315 HydrophobicContact CB-CB 3.71Å; L305-P315 HydrophobicContact CD1-CB 4.19Å; L305-T316 WeakPolarHBondContact O-CB 3.27Å; L305-T316 PolarHBondContact O-N 3.21Å; L305-T316 PolarHBondContact O-OG1 3.16Å; L305-F317 HydrophobicContact CD2-CD2 4.35Å; L305-F502 HydrophobicContact CD2-CD2 3.73Å; L305-F502 HydrophobicContact CD2-CE2 3.86Å
306	L	88.2	Confident	86.7	Confident	60 Å²	60	38 Å²	38	31%	0.314	22%	0.216	S	C	.	.	S	Bend	trans	-81.5	145.6	174.4	-70.1	171.5	0	0	0	110.6
307	P	82.4	Confident	86.8	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.019	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-50.7	146.4	165	-28	36.1	0	0	0	112.1	E194 K195 G309 S310	E194-P307 HydrophobicContact CG-CB 3.82Å; E194-P307 HydrophobicContact CG-CG 3.92Å; K195-P307 WeakPolarHBondContact O-CG 3.45Å; P307-G309 PolarHBondContact O-N 3.29Å; P307-S310 WeakPolarHBondContact CD-OG 3.37Å; P307-S310 PolarHBondContact O-N 3.42Å; P307-S310 PolarHBondContact O-OG 3.34Å
308	S	78	Confident	86.8	Confident	63 Å²	63	38.3 Å²	38.3	44%	0.441	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	136	177.4	-172.5	0	0	0	0	110.9	I190 S310	I190-S308 WeakPolarHBondContact CG1-OG 3.25Å; S308-S310 PolarHBondContact O-N 3.37Å
309	G	73.2	Confident	86.9	Confident	64 Å²	64	38.2 Å²	38.2	66%	0.66	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	-8.7	-179.3	0	0	0	0	0	115.4	P307	P307-G309 PolarHBondContact O-N 3.29Å
310	S	77.1	Confident	87	Confident	16 Å²	16	38.2 Å²	38.2	11%	0.112	22%	0.217	C	C	.	.			trans	-86.9	129.2	170.5	61.6	0	0	0	0	111.6	P307 S308	P307-S310 WeakPolarHBondContact CD-OG 3.37Å; P307-S310 PolarHBondContact O-N 3.42Å; P307-S310 PolarHBondContact O-OG 3.34Å; S308-S310 PolarHBondContact O-N 3.37Å
311	W	74.3	Confident	87.2	Confident	224 Å²	224	38 Å²	38	85%	0.848	22%	0.216	S	C	*	.	S	Bend	trans	-106.2	-10.3	169.4	46.3	69.3	0	0	0	112.1
312	D	79.4	Confident	87.4	Confident	101 Å²	101	35.9 Å²	35.9	54%	0.54	21%	0.208	S	C	.	.	S	Bend	trans	-129.3	156.8	179.5	59.1	-11	0	0	0	111.1
313	G	85.7	Confident	87.8	Confident	38 Å²	38	35.3 Å²	35.3	39%	0.392	20%	0.204	S	C	.	.	S	Bend	trans	112	-170.3	178.2	0	0	0	0	0	114.5	I197	I197-G313 VanDerWaalsContact O-CA 3.29Å; I197-G313 WeakPolarHBondContact O-CA 3.46Å
314	C	89.7	Confident	88	Confident	6 Å²	6	34.4 Å²	34.4	4%	0.041	20%	0.199	C	C	.	.			trans	-85.7	141.7	-178.9	-136.6	0	0	0	0	110.9	I197 H249 H318	I197-C314 HydrophobicContact CB-CB 4.22Å; I197-C314 HydrophobicContact CG2-CB 3.85Å; I197-C314 PolarHBondContact O-N 3.2Å; H249-C314 VanDerWaalsContact CE1-SG 3.59Å; H249-C314 PolarHBondContact NE2-SG 2.9Å; C314-H318 VanDerWaalsContact SG-CE1 3.51Å; C314-H318 PolarHBondContact SG-NE2 3.33Å
315	P	91.5	Very high	88.4	Confident	26 Å²	26	32.5 Å²	32.5	17%	0.169	19%	0.19	C	C	.	.			trans	-59.2	149	167.4	27.4	-35.5	0	0	0	110.9	H249 L305 F317 H318	H249-P315 PolarHBondContact CE1-O 3.26Å; H249-P315 PolarHBondContact ND1-O 2.97Å; L305-P315 HydrophobicContact CB-CB 3.71Å; L305-P315 HydrophobicContact CD1-CB 4.19Å; P315-F317 PolarHBondContact O-N 2.89Å; P315-F317 VanDerWaalsContact O-N 3.16Å; P315-H318 VanDerWaalsContact CG-CE1 3.4Å; P315-H318 WeakPolarHBondContact CG-CE1 3.5Å
316	T	91.6	Very high	88.4	Confident	13 Å²	13	38.4 Å²	38.4	8%	0.08	22%	0.215	C	C	.	.	S	Bend	trans	-57.3	-33	179.5	-56.8	0	0	0	0	112.1	E194 I197 H249 L305 R506	E194-T316 PolarHBondContact OE1-OG1 2.75Å; I197-T316 HydrophobicContact CD1-CG2 4.49Å; H249-T316 PolarHBondContact ND1-O 3.3Å; L305-T316 WeakPolarHBondContact O-CB 3.27Å; L305-T316 PolarHBondContact O-N 3.21Å; L305-T316 PolarHBondContact O-OG1 3.16Å; T316-R506 HydrophobicContact CG2-CG 4.25Å
317	F	94.6	Very high	88.4	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.7	178.9	-52.9	-68	0	0	0	111.6	I246 L247 L305 P315 F502 I505 R506	I246-F317 HydrophobicContact CG2-CD1 4.03Å; L247-F317 WeakPolarHBondContact O-CA 3.34Å; L305-F317 HydrophobicContact CD2-CD2 4.35Å; P315-F317 PolarHBondContact O-N 2.89Å; P315-F317 VanDerWaalsContact O-N 3.16Å; F317-F502 HydrophobicContact CB-CD1 4.43Å; F317-F502 HydrophobicContact CB-CE1 3.98Å; F317-F502 HydrophobicContact CB-CE2 4.44Å; F317-F502 HydrophobicContact CB-CZ 3.97Å; F317-F502 HydrophobicContact CD1-CD1 4.5Å; F317-F502 HydrophobicContact CD2-CB 3.99Å; F317-F502 AromaticContact CD2-CD1 3.69Å; F317-F502 HydrophobicContact CD2-CD1 3.69Å; F317-F502 HydrophobicContact CD2-CD2 4.1Å; F317-F502 HydrophobicContact CD2-CE1 4.1Å; F317-F502 HydrophobicContact CD2-CE2 4.47Å; F317-F502 AromaticContact CD2-CG 3.68Å; F317-F502 HydrophobicContact CD2-CG 3.68Å; F317-F502 HydrophobicContact CD2-CZ 4.46Å; F317-F502 HydrophobicContact CE2-CB 3.78Å; F317-F502 HydrophobicContact CE2-CD1 4.01Å; F317-F502 AromaticContact CE2-CG 3.96Å; F317-F502 HydrophobicContact CE2-CG 3.96Å; F317-F502 AromaticContact CG-CD1 3.95Å; F317-F502 HydrophobicContact CG-CD1 3.95Å; F317-F502 AromaticContact CG-CE1 3.96Å; F317-F502 HydrophobicContact CG-CE1 3.96Å; F317-F502 HydrophobicContact CG-CG 4.37Å; F317-F502 HydrophobicContact CG-CZ 4.36Å; F317-I505 HydrophobicContact CE1-CB 4.31Å; F317-I505 HydrophobicContact CE1-CD1 4.33Å; F317-I505 HydrophobicContact CE1-CG2 3.84Å; F317-I505 HydrophobicContact CZ-CB 3.92Å; F317-I505 HydrophobicContact CZ-CG2 3.77Å; F317-R506 HydrophobicContact CE2-CG 3.66Å; F317-R506 HydrophobicContact CZ-CG 3.78Å
318	H	95.5	Very high	88.5	Confident	6 Å²	6	43.9 Å²	43.9	3%	0.028	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	160.1	158.3	-53.8	-82.3	0	0	0	109.8	L247 H249 V283 C286 C314 P315	L247-H318 HydrophobicContact CB-CB 3.97Å; L247-H318 HydrophobicContact CD1-CB 3.94Å; L247-H318 PolarHBondContact N-O 2.92Å; L247-H318 PolarHBondContact O-N 2.86Å; H249-H318 AromaticContact CE1-CD2 3.69Å; H249-H318 AromaticContact CE1-NE2 3.34Å; H249-H318 PolarHBondContact CE1-NE2 3.44Å; H249-H318 VanDerWaalsContact CE1-NE2 3.34Å; H249-H318 AromaticContact NE2-NE2 3.66Å; V283-H318 VanDerWaalsContact CG1-CE1 3.44Å; V283-H318 WeakPolarHBondContact CG1-CE1 3.43Å; C286-H318 HydrophobicContact CB-CB 4Å; C314-H318 VanDerWaalsContact SG-CE1 3.51Å; C314-H318 PolarHBondContact SG-NE2 3.33Å; P315-H318 VanDerWaalsContact CG-CE1 3.4Å; P315-H318 WeakPolarHBondContact CG-CE1 3.5Å
319	I	96.2	Very high	88.9	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146	-176.1	61.2	160.3	0	0	0	111.3	Y244 G245 C286 F289 W290 F294 L498 F502	Y244-I319 HydrophobicContact CD1-CD1 4.44Å; Y244-I319 HydrophobicContact CE1-CD1 4.48Å; G245-I319 WeakPolarHBondContact O-CA 3.33Å; C286-I319 WeakPolarHBondContact CB-O 3.28Å; C286-I319 PolarHBondContact SG-O 2.91Å; C286-I319 VanDerWaalsContact SG-O 3.39Å; F289-I319 HydrophobicContact CD1-CD1 3.78Å; F289-I319 HydrophobicContact CD1-CG1 4.31Å; F289-I319 HydrophobicContact CE1-CD1 3.79Å; W290-I319 HydrophobicContact CE3-CD1 3.66Å; W290-I319 HydrophobicContact CE3-CG1 4.06Å; W290-I319 HydrophobicContact CE3-CG2 4.49Å; W290-I319 HydrophobicContact CZ3-CD1 4.24Å; F294-I319 HydrophobicContact CD2-CD1 3.77Å; F294-I319 HydrophobicContact CE2-CD1 3.14Å; F294-I319 HydrophobicContact CZ-CD1 3.92Å; I319-L498 HydrophobicContact CG2-CD2 3.86Å; I319-F502 HydrophobicContact CG2-CE1 4.47Å; I319-F502 HydrophobicContact CG2-CE2 4.28Å; I319-F502 HydrophobicContact CG2-CZ 3.51Å
320	I	95.9	Very high	89.4	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.3	172.5	-63.3	172.6	0	0	0	108	Y212 Y244 G245 L247 P278 F281 R322 M337	Y212-I320 HydrophobicContact CE2-CD1 4.4Å; Y244-I320 WeakPolarHBondContact CA-O 3.37Å; G245-I320 PolarHBondContact N-O 3.08Å; G245-I320 PolarHBondContact O-N 3.25Å; L247-I320 HydrophobicContact CD1-CD1 3.76Å; L247-I320 HydrophobicContact CD1-CG1 4.02Å; L247-I320 HydrophobicContact CG-CD1 4.35Å; P278-I320 HydrophobicContact CB-CD1 4.32Å; P278-I320 HydrophobicContact CG-CD1 3.53Å; F281-I320 HydrophobicContact CB-CD1 4.44Å; F281-I320 HydrophobicContact CD1-CD1 3.64Å; F281-I320 HydrophobicContact CD2-CD1 4.07Å; F281-I320 HydrophobicContact CE1-CD1 3.8Å; F281-I320 HydrophobicContact CE2-CD1 4.26Å; F281-I320 HydrophobicContact CG-CD1 3.78Å; F281-I320 HydrophobicContact CG-CG1 4.49Å; F281-I320 HydrophobicContact CZ-CD1 4.14Å; I320-R322 PolarHBondContact O-N 2.86Å; I320-M337 HydrophobicContact CG2-CG 4.33Å; I320-M337 HydrophobicContact CG2-SD 4.1Å
321	P	96.6	Very high	89.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	124.4	166	28.3	-34.9	0	0	0	109.3	F241 Y244 F289 F323 M337 V340 M491	F241-P321 HydrophobicContact CE2-CB 4.22Å; Y244-P321 HydrophobicContact CD1-CB 4.25Å; Y244-P321 HydrophobicContact CE1-CB 3.96Å; F289-P321 HydrophobicContact CD1-CG 4.14Å; F289-P321 HydrophobicContact CD2-CG 4.08Å; F289-P321 HydrophobicContact CE1-CB 4.16Å; F289-P321 HydrophobicContact CE1-CG 3.94Å; F289-P321 HydrophobicContact CE2-CB 4.29Å; F289-P321 HydrophobicContact CE2-CG 3.87Å; F289-P321 HydrophobicContact CG-CG 4.22Å; F289-P321 HydrophobicContact CZ-CB 3.87Å; F289-P321 HydrophobicContact CZ-CG 3.8Å; P321-F323 HydrophobicContact CB-CE2 4.05Å; P321-M337 HydrophobicContact CG-CE 4.28Å; P321-M337 HydrophobicContact CG-SD 3.83Å; P321-V340 HydrophobicContact CG-CG1 4.09Å; P321-M491 HydrophobicContact CB-CE 4.05Å
322	R	95.3	Very high	90.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.9	-177.7	-64.2	-177.2	64.7	167.2	-3	110.3	Y212 K214 F241 D242 G243 E275 I320 V324 L334	Y212-R322 WeakPolarHBondContact OH-CD 3.45Å; K214-R322 VanDerWaalsContact CB-NH1 3.33Å; K214-R322 VanDerWaalsContact CE-NH1 3.33Å; F241-R322 CarbonylContact C-O 3.59Å; F241-R322 WeakPolarHBondContact CA-O 3.42Å; F241-R322 WeakPolarHBondContact CD2-O 3.29Å; D242-R322 PolarHBondContact N-O 3.03Å; G243-R322 WeakPolarHBondContact O-CB 2.71Å; G243-R322 PolarHBondContact O-N 3.21Å; E275-R322 IonicContact OE1-CZ 3.39Å; E275-R322 IonicContact OE1-NH1 3.62Å; E275-R322 PolarHBondContact OE1-NH1 3.43Å; E275-R322 IonicContact OE1-NH2 3.26Å; E275-R322 PolarHBondContact OE1-NH2 2.91Å; E275-R322 IonicContact OE2-CZ 3.49Å; E275-R322 IonicContact OE2-NH1 2.62Å; E275-R322 PolarHBondContact OE2-NH1 2.88Å; E275-R322 IonicContact OE2-NH2 3.13Å; E275-R322 PolarHBondContact OE2-NH2 3.46Å; I320-R322 PolarHBondContact O-N 2.86Å; R322-V324 HydrophobicContact CB-CG1 4.42Å; R322-L334 HydrophobicContact CB-CD1 3.98Å; R322-L334 HydrophobicContact CG-CD1 4.1Å
323	F	95.8	Very high	91.3	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.013	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.9	168.6	-71.5	-87.7	0	0	0	108.2	T230 I232 F239 S240 F241 P321 L335 V340 M491	T230-F323 HydrophobicContact CG2-CE1 3.76Å; T230-F323 HydrophobicContact CG2-CZ 3.93Å; I232-F323 HydrophobicContact CB-CD1 4.48Å; I232-F323 HydrophobicContact CD1-CD1 3.81Å; I232-F323 HydrophobicContact CD1-CD2 3.78Å; I232-F323 HydrophobicContact CD1-CE1 3.73Å; I232-F323 HydrophobicContact CD1-CE2 3.68Å; I232-F323 HydrophobicContact CD1-CG 3.82Å; I232-F323 HydrophobicContact CD1-CZ 3.66Å; I232-F323 HydrophobicContact CG1-CD1 3.85Å; I232-F323 HydrophobicContact CG1-CE1 3.78Å; I232-F323 HydrophobicContact CG1-CG 4.31Å; I232-F323 HydrophobicContact CG1-CZ 4.19Å; F239-F323 HydrophobicContact CB-CB 3.91Å; S240-F323 CarbonylContact O-C 3.58Å; S240-F323 WeakPolarHBondContact O-CA 3.46Å; F241-F323 HydrophobicContact CB-CD1 4.13Å; F241-F323 HydrophobicContact CB-CE1 3.76Å; F241-F323 HydrophobicContact CB-CZ 4.35Å; F241-F323 HydrophobicContact CD2-CE1 4.15Å; F241-F323 HydrophobicContact CD2-CE2 4.21Å; F241-F323 AromaticContact CD2-CZ 3.94Å; F241-F323 HydrophobicContact CD2-CZ 3.94Å; F241-F323 HydrophobicContact CG-CE1 4.42Å; P321-F323 HydrophobicContact CB-CE2 4.05Å; F323-L335 HydrophobicContact CB-CB 3.88Å; F323-L335 HydrophobicContact CB-CD2 3.91Å; F323-L335 HydrophobicContact CG-CD2 4.46Å; F323-L335 WeakPolarHBondContact O-CB 3.32Å; F323-L335 PolarHBondContact O-N 3.37Å; F323-V340 HydrophobicContact CD2-CG1 4.4Å; F323-V340 HydrophobicContact CD2-CG2 3.68Å; F323-V340 HydrophobicContact CE2-CG1 3.94Å; F323-V340 HydrophobicContact CE2-CG2 4.07Å; F323-M491 HydrophobicContact CE2-CE 4.38Å; F323-M491 HydrophobicContact CZ-CE 4.12Å; F323-M491 HydrophobicContact CZ-SD 4Å
324	V	94	Very high	91.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.9	-168.9	-52.7	0	0	0	0	113.8	S240 D242 R322 I332 E333 L334	S240-V324 PolarHBondContact N-O 3.48Å; S240-V324 PolarHBondContact O-N 3.32Å; S240-V324 PolarHBondContact OG-O 3.32Å; D242-V324 HydrophobicContact CB-CB 4.42Å; D242-V324 HydrophobicContact CB-CG1 4.12Å; D242-V324 HydrophobicContact CB-CG2 3.47Å; D242-V324 VanDerWaalsContact CB-CG2 3.47Å; R322-V324 HydrophobicContact CB-CG1 4.42Å; V324-I332 HydrophobicContact CB-CG2 3.39Å; V324-I332 HydrophobicContact CG1-CG2 3.6Å; V324-I332 HydrophobicContact CG2-CG2 3.87Å; V324-E333 WeakPolarHBondContact CA-O 3.41Å; V324-L334 HydrophobicContact CG1-CD1 3.96Å
325	V	93.1	Very high	92	Very high	30 Å²	30	31.2 Å²	31.2	18%	0.182	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.7	163	174.1	0	0	0	0	107.8	E238 F239 I332 E333	E238-V325 WeakPolarHBondContact O-CG2 3.24Å; F239-V325 HydrophobicContact CB-CG2 4.48Å; F239-V325 HydrophobicContact CD1-CB 4.43Å; F239-V325 HydrophobicContact CD1-CG2 3.65Å; F239-V325 HydrophobicContact CD2-CG2 4.06Å; F239-V325 HydrophobicContact CE1-CB 4.33Å; F239-V325 HydrophobicContact CE1-CG2 3.73Å; F239-V325 HydrophobicContact CE2-CG2 4.14Å; F239-V325 HydrophobicContact CG-CG2 3.81Å; F239-V325 HydrophobicContact CZ-CG2 3.96Å; V325-I332 WeakPolarHBondContact O-CA 3.42Å; V325-E333 HydrophobicContact CB-CB 4.44Å; V325-E333 PolarHBondContact N-O 2.93Å; V325-E333 VanDerWaalsContact N-O 3.08Å; V325-E333 PolarHBondContact O-N 2.81Å
326	K	88.6	Confident	92.2	Very high	142 Å²	142	30.2 Å²	30.2	62%	0.617	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.4	175.2	-65.2	-179.2	-177.7	174.7	0	108.5	D242 I332	D242-K326 IonicContact OD1-NZ 3.98Å; K326-I332 HydrophobicContact CG-CD1 4.4Å; K326-I332 HydrophobicContact CG-CG1 4.4Å
327	N	87.7	Confident	92.4	Very high	42 Å²	42	29.7 Å²	29.7	23%	0.225	16%	0.162	C	C	.	.			trans	-87.1	158.4	178.9	-68.6	-29.2	0	0	0	110.9	D329 N330 S331 E333	N327-D329 WeakPolarHBondContact CB-OD1 3.46Å; N327-D329 PolarHBondContact O-N 3.04Å; N327-N330 PolarHBondContact O-N 3.5Å; N327-S331 WeakPolarHBondContact CB-O 3.41Å; N327-S331 WeakPolarHBondContact CB-OG 3.21Å; N327-S331 PolarHBondContact N-O 3.18Å; N327-S331 PolarHBondContact ND2-OG 2.96Å; N327-E333 PolarHBondContact ND2-OE1 2.91Å
328	S	85.5	Confident	92.4	Very high	136 Å²	136	29.5 Å²	29.5	95%	0.951	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.8	179.9	54.1	0	0	0	0	113.9	N330	S328-N330 PolarHBondContact O-N 2.95Å
329	D	85.9	Confident	92.4	Very high	83 Å²	83	29.4 Å²	29.4	44%	0.444	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	12.7	177.7	65.9	-8	0	0	0	113.4	R41 N327 S331	R41-D329 IonicContact CZ-OD2 3.1Å; R41-D329 VanDerWaalsContact CZ-OD2 3.28Å; R41-D329 IonicContact NH1-OD2 2.7Å; R41-D329 PolarHBondContact NH1-OD2 2.97Å; R41-D329 IonicContact NH2-OD2 2.7Å; R41-D329 PolarHBondContact NH2-OD2 3.27Å; N327-D329 WeakPolarHBondContact CB-OD1 3.46Å; N327-D329 PolarHBondContact O-N 3.04Å; D329-S331 VanDerWaalsContact CG-OG 3.27Å; D329-S331 PolarHBondContact O-N 2.94Å; D329-S331 WeakPolarHBondContact OD1-CB 3.49Å; D329-S331 PolarHBondContact OD1-N 3.37Å; D329-S331 PolarHBondContact OD1-OG 2.79Å; D329-S331 PolarHBondContact OD2-OG 3.4Å
330	N	82.8	Confident	92.4	Very high	104 Å²	104	29.4 Å²	29.4	56%	0.556	16%	0.162	S	C	*	.	S	Bend	trans	61.3	18	-174.4	-162.1	47.9	0	0	0	113.3	K37 H38 N327 S328	K37-N330 PolarHBondContact O-ND2 3Å; K37-N330 VanDerWaalsContact O-ND2 3.17Å; H38-N330 VanDerWaalsContact CB-O 3.29Å; H38-N330 WeakPolarHBondContact CB-O 3.14Å; N327-N330 PolarHBondContact O-N 3.5Å; S328-N330 PolarHBondContact O-N 2.95Å
331	S	88.1	Confident	92.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	152.8	164.8	74.5	0	0	0	0	110.9	T39 R41 N327 D329	T39-S331 CarbonylContact O-C 3.56Å; T39-S331 VanDerWaalsContact O-CA 3.27Å; T39-S331 WeakPolarHBondContact O-CA 3.1Å; R41-S331 PolarHBondContact NH1-OG 3.22Å; N327-S331 WeakPolarHBondContact CB-O 3.41Å; N327-S331 WeakPolarHBondContact CB-OG 3.21Å; N327-S331 PolarHBondContact N-O 3.18Å; N327-S331 PolarHBondContact ND2-OG 2.96Å; D329-S331 VanDerWaalsContact CG-OG 3.27Å; D329-S331 PolarHBondContact O-N 2.94Å; D329-S331 WeakPolarHBondContact OD1-CB 3.49Å; D329-S331 PolarHBondContact OD1-N 3.37Å; D329-S331 PolarHBondContact OD1-OG 2.79Å; D329-S331 PolarHBondContact OD2-OG 3.4Å
332	I	91.1	Very high	92.4	Very high	11 Å²	11	31 Å²	31	6%	0.056	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.1	178.7	-58.2	-168.7	0	0	0	108.1	H38 T39 R41 V324 V325 K326	H38-I332 HydrophobicContact CB-CD1 4.16Å; H38-I332 HydrophobicContact CB-CG1 4.17Å; H38-I332 WeakPolarHBondContact CD2-CD1 3.31Å; T39-I332 PolarHBondContact O-N 3.05Å; R41-I332 PolarHBondContact N-O 3.46Å; V324-I332 HydrophobicContact CB-CG2 3.39Å; V324-I332 HydrophobicContact CG1-CG2 3.6Å; V324-I332 HydrophobicContact CG2-CG2 3.87Å; V325-I332 WeakPolarHBondContact O-CA 3.42Å; K326-I332 HydrophobicContact CG-CD1 4.4Å; K326-I332 HydrophobicContact CG-CG1 4.4Å
333	E	93	Very high	92.3	Very high	31 Å²	31	33 Å²	33	15%	0.145	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.9	174.1	-75.8	178.3	-144.6	0	0	110.7	R41 V43 R237 F239 V324 V325 N327	R41-E333 HydrophobicContact CB-CG 3.84Å; R41-E333 CarbonylContact O-C 3.58Å; R41-E333 VanDerWaalsContact O-CA 3.3Å; R41-E333 WeakPolarHBondContact O-CA 3.38Å; V43-E333 HydrophobicContact CG2-CB 4.28Å; R237-E333 IonicContact CZ-OE2 3.99Å; R237-E333 IonicContact NH1-OE1 3.51Å; R237-E333 IonicContact NH1-OE2 3.15Å; R237-E333 PolarHBondContact NH1-OE2 3.19Å; R237-E333 IonicContact NH2-OE2 2.96Å; F239-E333 HydrophobicContact CE1-CB 4.36Å; V324-E333 WeakPolarHBondContact CA-O 3.41Å; V325-E333 HydrophobicContact CB-CB 4.44Å; V325-E333 PolarHBondContact N-O 2.93Å; V325-E333 VanDerWaalsContact N-O 3.08Å; V325-E333 PolarHBondContact O-N 2.81Å; N327-E333 PolarHBondContact ND2-OE1 2.91Å
334	L	94.4	Very high	92.2	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.047	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.8	179.5	-177.2	68	0	0	0	111.3	L40 R41 L42 V43 P278 R322 V324	L40-L334 HydrophobicContact CD1-CB 3.96Å; L40-L334 HydrophobicContact CD2-CD2 4.49Å; R41-L334 PolarHBondContact O-N 2.9Å; L42-L334 HydrophobicContact CD2-CB 4.19Å; L42-L334 HydrophobicContact CD2-CD2 4.13Å; V43-L334 WeakPolarHBondContact CG2-O 3.45Å; V43-L334 PolarHBondContact N-O 3.23Å; V43-L334 VanDerWaalsContact N-O 3.14Å; P278-L334 HydrophobicContact CB-CD2 3.76Å; R322-L334 HydrophobicContact CB-CD1 3.98Å; R322-L334 HydrophobicContact CG-CD1 4.1Å; V324-L334 HydrophobicContact CG1-CD1 3.96Å
335	L	95.3	Very high	92.3	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-72.6	138.3	175.9	-165.8	72.6	0	0	0	111.6	I232 Y234 F239 F323 A339 V340	I232-L335 HydrophobicContact CB-CD2 4.08Å; I232-L335 HydrophobicContact CD1-CD2 4.07Å; I232-L335 HydrophobicContact CG2-CD2 3.86Å; Y234-L335 HydrophobicContact CD1-CD1 3.72Å; Y234-L335 HydrophobicContact CD2-CD1 4.29Å; Y234-L335 HydrophobicContact CE1-CD1 4.45Å; Y234-L335 HydrophobicContact CG-CD1 3.61Å; F239-L335 HydrophobicContact CB-CD2 4.43Å; F239-L335 HydrophobicContact CD1-CB 3.83Å; F239-L335 HydrophobicContact CD1-CD1 4.08Å; F239-L335 HydrophobicContact CD1-CG 4.47Å; F239-L335 HydrophobicContact CD2-CD1 3.83Å; F239-L335 HydrophobicContact CE1-CB 4.24Å; F239-L335 HydrophobicContact CE1-CD1 4.12Å; F239-L335 HydrophobicContact CE2-CD1 3.87Å; F239-L335 HydrophobicContact CG-CB 4.22Å; F239-L335 HydrophobicContact CG-CD1 3.96Å; F239-L335 HydrophobicContact CG-CD2 4.49Å; F239-L335 HydrophobicContact CG-CG 4.46Å; F239-L335 HydrophobicContact CZ-CD1 4.03Å; F323-L335 HydrophobicContact CB-CB 3.88Å; F323-L335 HydrophobicContact CB-CD2 3.91Å; F323-L335 HydrophobicContact CG-CD2 4.46Å; F323-L335 WeakPolarHBondContact O-CB 3.32Å; F323-L335 PolarHBondContact O-N 3.37Å; L335-A339 HydrophobicContact CD1-CB 4.01Å; L335-A339 HydrophobicContact CD2-CB 4.01Å; L335-A339 HydrophobicContact CG-CB 3.87Å; L335-V340 HydrophobicContact CD2-CG2 4.03Å
336	P	95.4	Very high	92.3	Very high	4 Å²	4	40 Å²	40	3%	0.026	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-68.9	154.6	176.1	30.9	-39	0	0	0	112.2	D45 Y49 S338 A339 V340	D45-P336 HydrophobicContact CB-CB 4.07Å; D45-P336 HydrophobicContact CB-CG 3.88Å; Y49-P336 HydrophobicContact CE2-CB 4.14Å; P336-S338 VanDerWaalsContact C-N 3.32Å; P336-S338 PolarHBondContact O-N 3.31Å; P336-A339 HydrophobicContact CG-CB 4.03Å; P336-A339 PolarHBondContact O-N 2.97Å; P336-V340 PolarHBondContact O-N 3.2Å
337	M	95.8	Very high	92.4	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-31.8	-178.2	-85.1	-62.5	-68	0	0	113.4	Y49 Y280 F281 D285 F289 I320 P321 A339 V340 L341	Y49-M337 WeakPolarHBondContact OH-CB 3.32Å; Y280-M337 PolarHBondContact O-N 2.92Å; F281-M337 HydrophobicContact CB-CB 3.99Å; F281-M337 HydrophobicContact CB-CG 3.65Å; D285-M337 HydrophobicContact CB-CB 3.85Å; D285-M337 HydrophobicContact CB-CE 3.94Å; D285-M337 HydrophobicContact CB-CG 4.25Å; F289-M337 HydrophobicContact CB-CE 4.13Å; I320-M337 HydrophobicContact CG2-CG 4.33Å; I320-M337 HydrophobicContact CG2-SD 4.1Å; P321-M337 HydrophobicContact CG-CE 4.28Å; P321-M337 HydrophobicContact CG-SD 3.83Å; M337-A339 VanDerWaalsContact C-N 3.3Å; M337-A339 PolarHBondContact O-N 3Å; M337-V340 WeakPolarHBondContact O-CB 3.36Å; M337-V340 PolarHBondContact O-N 3.12Å; M337-V340 VanDerWaalsContact O-N 3.11Å; M337-V340 HydrophobicContact SD-CB 4.47Å; M337-L341 WeakPolarHBondContact O-CG 3.42Å; M337-L341 PolarHBondContact O-N 3.24Å
338	S	95.4	Very high	92.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-50.5	-49.2	172.4	52.5	0	0	0	0	111.8	D45 Y49 P336 V340 L341 E342	D45-S338 PolarHBondContact OD2-OG 3.36Å; Y49-S338 WeakPolarHBondContact CE2-OG 3.4Å; Y49-S338 PolarHBondContact OH-N 2.92Å; P336-S338 VanDerWaalsContact C-N 3.32Å; P336-S338 PolarHBondContact O-N 3.31Å; S338-V340 VanDerWaalsContact C-N 3.33Å; S338-V340 PolarHBondContact O-N 3.3Å; S338-L341 PolarHBondContact O-N 3.12Å; S338-E342 VanDerWaalsContact O-CB 3.25Å; S338-E342 WeakPolarHBondContact O-CB 3.47Å; S338-E342 PolarHBondContact O-N 3.34Å
339	A	95.4	Very high	92.9	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-35	-179.7	0	0	0	0	0	112.1	Y234 L335 P336 M337 H343	Y234-A339 HydrophobicContact CD2-CB 3.54Å; Y234-A339 HydrophobicContact CE2-CB 3.54Å; Y234-A339 HydrophobicContact CG-CB 4.3Å; L335-A339 HydrophobicContact CD1-CB 4.01Å; L335-A339 HydrophobicContact CD2-CB 4.01Å; L335-A339 HydrophobicContact CG-CB 3.87Å; P336-A339 HydrophobicContact CG-CB 4.03Å; P336-A339 PolarHBondContact O-N 2.97Å; M337-A339 VanDerWaalsContact C-N 3.3Å; M337-A339 PolarHBondContact O-N 3Å; A339-H343 VanDerWaalsContact O-CB 3.22Å; A339-H343 WeakPolarHBondContact O-CB 3.18Å; A339-H343 PolarHBondContact O-N 3.06Å
340	V	95.9	Very high	93.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-66.3	-50.8	174.8	-178.7	0	0	0	0	110.5	I232 P321 F323 L335 P336 M337 S338 E342 H343 L344	I232-V340 HydrophobicContact CD1-CB 4.47Å; I232-V340 HydrophobicContact CD1-CG1 4.37Å; I232-V340 HydrophobicContact CD1-CG2 4.18Å; P321-V340 HydrophobicContact CG-CG1 4.09Å; F323-V340 HydrophobicContact CD2-CG1 4.4Å; F323-V340 HydrophobicContact CD2-CG2 3.68Å; F323-V340 HydrophobicContact CE2-CG1 3.94Å; F323-V340 HydrophobicContact CE2-CG2 4.07Å; L335-V340 HydrophobicContact CD2-CG2 4.03Å; P336-V340 PolarHBondContact O-N 3.2Å; M337-V340 WeakPolarHBondContact O-CB 3.36Å; M337-V340 PolarHBondContact O-N 3.12Å; M337-V340 VanDerWaalsContact O-N 3.11Å; M337-V340 HydrophobicContact SD-CB 4.47Å; S338-V340 VanDerWaalsContact C-N 3.33Å; S338-V340 PolarHBondContact O-N 3.3Å; V340-E342 VanDerWaalsContact C-N 3.34Å; V340-E342 PolarHBondContact O-N 3.4Å; V340-H343 PolarHBondContact O-N 2.91Å; V340-L344 HydrophobicContact CG1-CD1 4.28Å; V340-L344 WeakPolarHBondContact O-CG 3.03Å; V340-L344 PolarHBondContact O-N 3.34Å
341	L	96.1	Very high	93.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-41.7	179.5	-66.5	-179.6	0	0	0	111.8	L71 F75 D285 F289 M337 S338 L344 L345	L71-L341 HydrophobicContact CD2-CB 4.18Å; F75-L341 HydrophobicContact CD2-CB 4.18Å; F75-L341 HydrophobicContact CD2-CD2 4Å; F75-L341 HydrophobicContact CE2-CB 4.4Å; F75-L341 HydrophobicContact CE2-CD2 3.7Å; F75-L341 HydrophobicContact CZ-CD2 4.09Å; D285-L341 HydrophobicContact CB-CD1 4.09Å; D285-L341 VanDerWaalsContact OD1-CD1 3.31Å; D285-L341 WeakPolarHBondContact OD1-CD1 3.02Å; F289-L341 HydrophobicContact CB-CD2 4.46Å; M337-L341 WeakPolarHBondContact O-CG 3.42Å; M337-L341 PolarHBondContact O-N 3.24Å; S338-L341 PolarHBondContact O-N 3.12Å; L341-L344 PolarHBondContact O-N 3.24Å; L341-L345 PolarHBondContact O-N 3.25Å
342	E	95	Very high	93	Very high	39 Å²	39	28.5 Å²	28.5	18%	0.182	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-41.6	176.4	-171.8	175.2	-140.4	0	0	111.6	Y48 L71 S338 V340 L345 R346	Y48-E342 PolarHBondContact OH-OE1 3.49Å; L71-E342 HydrophobicContact CD1-CB 4.33Å; L71-E342 HydrophobicContact CD2-CB 4.43Å; S338-E342 VanDerWaalsContact O-CB 3.25Å; S338-E342 WeakPolarHBondContact O-CB 3.47Å; S338-E342 PolarHBondContact O-N 3.34Å; V340-E342 VanDerWaalsContact C-N 3.34Å; V340-E342 PolarHBondContact O-N 3.4Å; E342-L345 PolarHBondContact O-N 2.94Å; E342-R346 HydrophobicContact CG-CG 4.42Å; E342-R346 WeakPolarHBondContact O-CB 3.35Å; E342-R346 VanDerWaalsContact O-CG 3.29Å; E342-R346 WeakPolarHBondContact O-CG 3.24Å; E342-R346 PolarHBondContact O-N 3.3Å; E342-R346 IonicContact OE1-CZ 2.64Å; E342-R346 VanDerWaalsContact OE1-CZ 3.26Å; E342-R346 IonicContact OE1-NE 3.9Å; E342-R346 IonicContact OE1-NH2 3.61Å; E342-R346 PolarHBondContact OE1-NH2 3.44Å; E342-R346 IonicContact OE2-CZ 3.78Å; E342-R346 IonicContact OE2-NH1 3.17Å; E342-R346 PolarHBondContact OE2-NH1 3.48Å; E342-R346 IonicContact OE2-NH2 3.43Å; E342-R346 PolarHBondContact OE2-NH2 3.28Å; E342-R346 VanDerWaalsContact OE2-NH2 3.13Å
343	H	94.4	Very high	92.5	Very high	42 Å²	42	31.1 Å²	31.1	19%	0.194	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-44.6	174.7	176.6	78.2	0	0	0	112.1	I232 A339 V340 L345 R346 S347	I232-H343 HydrophobicContact CD1-CB 4.16Å; I232-H343 HydrophobicContact CG1-CB 4.44Å; I232-H343 HydrophobicContact CG2-CB 3.96Å; A339-H343 VanDerWaalsContact O-CB 3.22Å; A339-H343 WeakPolarHBondContact O-CB 3.18Å; A339-H343 PolarHBondContact O-N 3.06Å; V340-H343 PolarHBondContact O-N 2.91Å; H343-L345 VanDerWaalsContact C-N 3.34Å; H343-L345 PolarHBondContact O-N 3.32Å; H343-R346 PolarHBondContact O-N 3.49Å; H343-S347 PolarHBondContact CE1-OG 3.04Å; H343-S347 PolarHBondContact NE2-OG 2.53Å; H343-S347 VanDerWaalsContact O-CB 3.23Å; H343-S347 WeakPolarHBondContact O-CB 3.36Å; H343-S347 PolarHBondContact O-N 3.36Å; H343-S347 PolarHBondContact O-OG 3.42Å
344	L	94.4	Very high	91.4	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-41.5	177.7	-68.6	175.3	0	0	0	111.6	F75 F289 Y292 V340 L341 S347 Y348 M487	F75-L344 HydrophobicContact CE2-CB 4.14Å; F75-L344 HydrophobicContact CE2-CD1 4.4Å; F289-L344 HydrophobicContact CD2-CD1 3.86Å; F289-L344 HydrophobicContact CE2-CD1 4.01Å; Y292-L344 HydrophobicContact CD1-CD1 4.48Å; V340-L344 HydrophobicContact CG1-CD1 4.28Å; V340-L344 WeakPolarHBondContact O-CG 3.03Å; V340-L344 PolarHBondContact O-N 3.34Å; L341-L344 PolarHBondContact O-N 3.24Å; L344-S347 PolarHBondContact O-N 3.27Å; L344-Y348 PolarHBondContact O-N 2.9Å; L344-M487 HydrophobicContact CD2-CE 4.4Å; L344-M487 HydrophobicContact CD2-CG 3.59Å; L344-M487 HydrophobicContact CD2-SD 3.83Å
345	L	94.1	Very high	90.3	Very high	15 Å²	15	38.5 Å²	38.5	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-44.2	176.5	-79.8	168.9	0	0	0	113.1	L71 F75 R78 L79 L341 E342 H343 S347 Y348	L71-L345 HydrophobicContact CD1-CD1 3.65Å; F75-L345 HydrophobicContact CB-CD1 3.87Å; F75-L345 HydrophobicContact CB-CD2 4.3Å; F75-L345 HydrophobicContact CB-CG 4.34Å; F75-L345 HydrophobicContact CD2-CD1 3.75Å; F75-L345 HydrophobicContact CD2-CD2 3.95Å; F75-L345 HydrophobicContact CD2-CG 3.54Å; F75-L345 HydrophobicContact CE2-CG 4.23Å; F75-L345 HydrophobicContact CG-CD1 4.26Å; F75-L345 HydrophobicContact CG-CD2 4.3Å; F75-L345 HydrophobicContact CG-CG 4.28Å; R78-L345 HydrophobicContact CB-CD2 4.22Å; L79-L345 HydrophobicContact CD1-CD2 3.76Å; L79-L345 HydrophobicContact CD1-CG 4.43Å; L79-L345 HydrophobicContact CG-CD2 3.89Å; L341-L345 PolarHBondContact O-N 3.25Å; E342-L345 PolarHBondContact O-N 2.94Å; H343-L345 VanDerWaalsContact C-N 3.34Å; H343-L345 PolarHBondContact O-N 3.32Å; L345-S347 VanDerWaalsContact C-N 3.31Å; L345-Y348 PolarHBondContact O-N 2.88Å
346	R	93.7	Very high	88.9	Confident	159 Å²	159	41.1 Å²	41.1	60%	0.6	21%	0.212	S	C	*	.	H	α-helix	trans	-66.6	-35.2	178.1	-73.6	175.9	-179.1	167	-0.2	111.7	E342 H343 Y348	E342-R346 HydrophobicContact CG-CG 4.42Å; E342-R346 WeakPolarHBondContact O-CB 3.35Å; E342-R346 VanDerWaalsContact O-CG 3.29Å; E342-R346 WeakPolarHBondContact O-CG 3.24Å; E342-R346 PolarHBondContact O-N 3.3Å; E342-R346 IonicContact OE1-CZ 2.64Å; E342-R346 VanDerWaalsContact OE1-CZ 3.26Å; E342-R346 IonicContact OE1-NE 3.9Å; E342-R346 IonicContact OE1-NH2 3.61Å; E342-R346 PolarHBondContact OE1-NH2 3.44Å; E342-R346 IonicContact OE2-CZ 3.78Å; E342-R346 IonicContact OE2-NH1 3.17Å; E342-R346 PolarHBondContact OE2-NH1 3.48Å; E342-R346 IonicContact OE2-NH2 3.43Å; E342-R346 PolarHBondContact OE2-NH2 3.28Å; E342-R346 VanDerWaalsContact OE2-NH2 3.13Å; H343-R346 PolarHBondContact O-N 3.49Å; R346-Y348 VanDerWaalsContact C-N 3.27Å; R346-Y348 PolarHBondContact O-N 3.1Å
347	S	91.8	Very high	87.1	Confident	27 Å²	27	50.1 Å²	50.1	19%	0.189	25%	0.251	C	S	.	.	H	α-helix	trans	-75.6	-15.8	-179.9	-59.2	0	0	0	0	113.3	H343 L344 L345 E349 K484	H343-S347 PolarHBondContact CE1-OG 3.04Å; H343-S347 PolarHBondContact NE2-OG 2.53Å; H343-S347 VanDerWaalsContact O-CB 3.23Å; H343-S347 WeakPolarHBondContact O-CB 3.36Å; H343-S347 PolarHBondContact O-N 3.36Å; H343-S347 PolarHBondContact O-OG 3.42Å; L344-S347 PolarHBondContact O-N 3.27Å; L345-S347 VanDerWaalsContact C-N 3.31Å; S347-E349 VanDerWaalsContact C-N 3.31Å; S347-E349 PolarHBondContact O-N 3.05Å; S347-K484 WeakPolarHBondContact O-CB 3.35Å
348	Y	92.1	Very high	85.4	Confident	19 Å²	19	51.2 Å²	51.2	8%	0.075	26%	0.26	C	S	.	.			trans	-80.3	75.3	-176.4	-159.6	-99.3	0	0	0	112.9	L79 L82 Y83 Y292 L344 L345 R346 P378 Y483 K484	L79-Y348 HydrophobicContact CD2-CD1 3.3Å; L79-Y348 HydrophobicContact CD2-CD2 3.67Å; L79-Y348 HydrophobicContact CD2-CE1 3.63Å; L79-Y348 HydrophobicContact CD2-CE2 3.98Å; L79-Y348 HydrophobicContact CD2-CG 3.3Å; L82-Y348 HydrophobicContact CD2-CE1 4.09Å; Y83-Y348 PolarHBondContact OH-OH 3.1Å; Y292-Y348 VanDerWaalsContact OH-CD2 3.31Å; Y292-Y348 WeakPolarHBondContact OH-CD2 3.4Å; Y292-Y348 WeakPolarHBondContact OH-CE2 3.38Å; L344-Y348 PolarHBondContact O-N 2.9Å; L345-Y348 PolarHBondContact O-N 2.88Å; R346-Y348 VanDerWaalsContact C-N 3.27Å; R346-Y348 PolarHBondContact O-N 3.1Å; Y348-P378 WeakPolarHBondContact OH-CG 3.35Å; Y348-Y483 AromaticContact CD1-CD1 3.88Å; Y348-Y483 HydrophobicContact CD1-CD1 3.88Å; Y348-Y483 HydrophobicContact CD1-CG 4.29Å; Y348-Y483 AromaticContact CE1-CD1 3.55Å; Y348-Y483 HydrophobicContact CE1-CD1 3.55Å; Y348-Y483 HydrophobicContact CE1-CD2 4.31Å; Y348-Y483 HydrophobicContact CE1-CE1 4.14Å; Y348-Y483 AromaticContact CE1-CG 3.66Å; Y348-Y483 HydrophobicContact CE1-CG 3.66Å; Y348-Y483 HydrophobicContact CE2-CG 4.26Å; Y348-Y483 AromaticContact CZ-CG 3.64Å; Y348-K484 WeakPolarHBondContact CA-O 3.47Å; Y348-K484 VanDerWaalsContact CD2-O 3.27Å; Y348-K484 WeakPolarHBondContact CD2-O 3.23Å
349	E	90.9	Very high	83.9	Confident	119 Å²	119	53.9 Å²	53.9	56%	0.556	28%	0.279	S	S	*	.			trans	-122.2	161	179.3	-62.8	-177.1	161.1	0	0	110.9	S347 V351 Y483 K484	S347-E349 VanDerWaalsContact C-N 3.31Å; S347-E349 PolarHBondContact O-N 3.05Å; E349-V351 PolarHBondContact O-N 3.42Å; E349-Y483 CarbonylContact O-C 3.59Å; E349-Y483 VanDerWaalsContact O-CA 3.25Å; E349-Y483 WeakPolarHBondContact O-CA 3.22Å; E349-K484 PolarHBondContact O-N 3.02Å
350	L	89.6	Confident	82.5	Confident	64 Å²	64	55.8 Å²	55.8	34%	0.335	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-58.4	137.2	173.7	-73.2	169.8	0	0	0	110.3	F352 Y483 K484	L350-F352 PolarHBondContact O-N 3.48Å; L350-Y483 HydrophobicContact CD2-CD1 4.12Å; L350-Y483 HydrophobicContact CD2-CD2 4.4Å; L350-Y483 HydrophobicContact CD2-CE1 3.7Å; L350-Y483 HydrophobicContact CD2-CE2 4Å; L350-Y483 HydrophobicContact CD2-CG 4.44Å; L350-Y483 HydrophobicContact CG-CD1 4.4Å; L350-Y483 HydrophobicContact CG-CE1 3.98Å; L350-K484 VanDerWaalsContact O-CE 3.32Å; L350-K484 WeakPolarHBondContact O-CE 3.44Å
351	V	86.6	Confident	81.3	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	33%	0.328	C	S	.	.	S	Bend	trans	-55.9	-41.4	175.1	171.1	0	0	0	0	110.3	E349 L370 V375 L387 I390 I407 F482 K484	E349-V351 PolarHBondContact O-N 3.42Å; V351-L370 HydrophobicContact CG1-CD1 4.06Å; V351-V375 HydrophobicContact CG2-CB 4.14Å; V351-V375 HydrophobicContact CG2-CG1 3.6Å; V351-L387 HydrophobicContact CG1-CD1 4.22Å; V351-I390 HydrophobicContact CG1-CD1 3.93Å; V351-I407 HydrophobicContact CG1-CD1 4.5Å; V351-F482 HydrophobicContact CB-CB 4.35Å; V351-F482 HydrophobicContact CG2-CB 3.84Å; V351-F482 WeakPolarHBondContact CG2-O 3.37Å; V351-F482 PolarHBondContact N-O 3.19Å; V351-K484 HydrophobicContact CG2-CG 3.94Å
352	F	83.3	Confident	80.2	Confident	37 Å²	37	65.9 Å²	65.9	16%	0.162	35%	0.353	C	S	.	.			trans	-140.4	123.6	175.4	-178.3	-101.4	0	0	0	109.7	L350 P354 W363 C403 Y404 P405	L350-F352 PolarHBondContact O-N 3.48Å; F352-P354 HydrophobicContact CE1-CB 4.46Å; F352-P354 HydrophobicContact CE1-CG 4.42Å; F352-W363 HydrophobicContact CD2-CH2 4.32Å; F352-W363 AromaticContact CD2-CZ3 3.83Å; F352-W363 HydrophobicContact CD2-CZ3 3.83Å; F352-W363 AromaticContact CE2-CZ3 3.85Å; F352-W363 HydrophobicContact CE2-CZ3 3.85Å; F352-C403 WeakPolarHBondContact CE1-O 3.45Å; F352-Y404 AromaticContact CD1-CD1 3.95Å; F352-Y404 HydrophobicContact CD1-CD1 3.95Å; F352-Y404 HydrophobicContact CD1-CE1 4.44Å; F352-P405 HydrophobicContact CB-CG 4.15Å; F352-P405 HydrophobicContact CD1-CG 4.09Å; F352-P405 HydrophobicContact CD2-CG 3.68Å; F352-P405 HydrophobicContact CE1-CG 4.39Å; F352-P405 HydrophobicContact CE2-CG 4.04Å; F352-P405 VanDerWaalsContact CG-CD 3.49Å; F352-P405 HydrophobicContact CG-CG 3.7Å; F352-P405 HydrophobicContact CZ-CG 4.37Å
353	D	79.1	Confident	79.3	Confident	67 Å²	67	64.8 Å²	64.8	36%	0.358	35%	0.347	S	S	.	.			trans	-99.1	117.2	168.9	-178.4	-4.3	0	0	0	108.7	N355 A356	D353-N355 PolarHBondContact O-N 3.47Å; D353-N355 VanDerWaalsContact O-N 3.08Å; D353-N355 WeakPolarHBondContact OD1-CB 3.41Å; D353-N355 PolarHBondContact OD1-N 3.01Å; D353-N355 PolarHBondContact OD1-ND2 2.67Å; D353-A356 HydrophobicContact CB-CB 4.15Å; D353-A356 PolarHBondContact O-N 3Å
354	P	71.1	Confident	78.6	Confident	45 Å²	45	67.8 Å²	67.8	29%	0.292	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.4	177.5	-24.5	33	0	0	0	114.6	F352 Y404	F352-P354 HydrophobicContact CE1-CB 4.46Å; F352-P354 HydrophobicContact CE1-CG 4.42Å; P354-Y404 HydrophobicContact CG-CD1 4.45Å; P354-Y404 HydrophobicContact CG-CE1 3.55Å; P354-Y404 HydrophobicContact CG-CE2 4.43Å; P354-Y404 WeakPolarHBondContact CG-OH 3.43Å
355	N	70.4	Confident	77.8	Confident	150 Å²	150	72.4 Å²	72.4	80%	0.802	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.5	-178.9	-59.1	-45.6	0	0	0	112.9	D353	D353-N355 PolarHBondContact O-N 3.47Å; D353-N355 VanDerWaalsContact O-N 3.08Å; D353-N355 WeakPolarHBondContact OD1-CB 3.41Å; D353-N355 PolarHBondContact OD1-N 3.01Å; D353-N355 PolarHBondContact OD1-ND2 2.67Å
356	A	67.2	Low	77	Confident	60 Å²	60	74 Å²	74	50%	0.496	40%	0.398	S	S	.	.			trans	-101.6	85.5	-177.9	0	0	0	0	0	110.3	D353 A358	D353-A356 HydrophobicContact CB-CB 4.15Å; D353-A356 PolarHBondContact O-N 3Å; A356-A358 PolarHBondContact O-N 3.05Å
357	F	57.4	Low	76.5	Confident	194 Å²	194	68 Å²	68	85%	0.851	38%	0.379	S	S	*	.			trans	-71.6	109.7	177	-117	-91.1	0	0	0	111
358	A	59.9	Low	76	Confident	25 Å²	25	69.8 Å²	69.8	21%	0.207	40%	0.395	C	S	.	.			trans	-85.4	129.6	174.5	0	0	0	0	0	111.5	A356 Q362 R392	A356-A358 PolarHBondContact O-N 3.05Å; A358-Q362 HydrophobicContact CB-CB 4.13Å; A358-R392 PolarHBondContact O-NH2 2.78Å
359	S	62.9	Low	75.5	Confident	57 Å²	57	74.3 Å²	74.3	40%	0.399	42%	0.42	S	S	.	.			trans	-60.9	164	170.9	63.9	0	0	0	0	111.9	T361 Q362 W363	S359-T361 VanDerWaalsContact C-N 3.34Å; S359-T361 PolarHBondContact O-N 2.92Å; S359-Q362 PolarHBondContact O-N 3.19Å; S359-Q362 VanDerWaalsContact OG-CG 3.3Å; S359-Q362 WeakPolarHBondContact OG-CG 3.45Å; S359-Q362 PolarHBondContact OG-OE1 3.01Å; S359-W363 PolarHBondContact O-N 2.99Å
360	G	65.9	Low	75.2	Confident	44 Å²	44	68.9 Å²	68.9	45%	0.454	40%	0.395	S	S	.	.	H	α-helix	trans	-55	-40.4	-172.7	0	0	0	0	0	115.2	N364	G360-N364 PolarHBondContact O-N 3.37Å
361	T	71.5	Confident	75.1	Confident	101 Å²	101	71.2 Å²	71.2	62%	0.62	40%	0.402	S	S	*	.	H	α-helix	trans	-71.5	-48	176.8	45.8	0	0	0	0	111.8	S359 W363 N364 D365	S359-T361 VanDerWaalsContact C-N 3.34Å; S359-T361 PolarHBondContact O-N 2.92Å; T361-W363 PolarHBondContact O-N 3.32Å; T361-W363 VanDerWaalsContact O-N 3.16Å; T361-N364 PolarHBondContact O-N 3.2Å; T361-D365 PolarHBondContact O-N 2.74Å
362	Q	73	Confident	75.1	Confident	111 Å²	111	71.4 Å²	71.4	52%	0.519	41%	0.405	S	S	.	.	H	α-helix	trans	-56.5	-33.4	177	-71.4	171	-25.1	0	0	112.4	A358 S359 L366	A358-Q362 HydrophobicContact CB-CB 4.13Å; S359-Q362 PolarHBondContact O-N 3.19Å; S359-Q362 VanDerWaalsContact OG-CG 3.3Å; S359-Q362 WeakPolarHBondContact OG-CG 3.45Å; S359-Q362 PolarHBondContact OG-OE1 3.01Å; Q362-L366 VanDerWaalsContact O-CB 3.27Å; Q362-L366 WeakPolarHBondContact O-CB 3.48Å; Q362-L366 PolarHBondContact O-N 3.44Å
363	W	77	Confident	75.4	Confident	17 Å²	17	70.5 Å²	70.5	6%	0.064	40%	0.401	C	S	.	.	H	α-helix	trans	-66.2	-46.7	175.3	179.2	-96.8	0	0	0	112.9	F352 S359 T361 D365 L366 V367 I390 R392 P405	F352-W363 HydrophobicContact CD2-CH2 4.32Å; F352-W363 AromaticContact CD2-CZ3 3.83Å; F352-W363 HydrophobicContact CD2-CZ3 3.83Å; F352-W363 AromaticContact CE2-CZ3 3.85Å; F352-W363 HydrophobicContact CE2-CZ3 3.85Å; S359-W363 PolarHBondContact O-N 2.99Å; T361-W363 PolarHBondContact O-N 3.32Å; T361-W363 VanDerWaalsContact O-N 3.16Å; W363-D365 VanDerWaalsContact C-N 3.28Å; W363-D365 PolarHBondContact O-N 2.75Å; W363-L366 HydrophobicContact CE3-CD2 4.43Å; W363-L366 HydrophobicContact CZ3-CD2 4.3Å; W363-L366 WeakPolarHBondContact O-CB 3.27Å; W363-L366 PolarHBondContact O-N 3.13Å; W363-V367 HydrophobicContact CD2-CG2 4.19Å; W363-V367 HydrophobicContact CG-CG2 4.3Å; W363-V367 HydrophobicContact CZ2-CG2 4.02Å; W363-V367 WeakPolarHBondContact O-CG2 3.46Å; W363-V367 PolarHBondContact O-N 3.18Å; W363-I390 HydrophobicContact CH2-CD1 4.3Å; W363-I390 HydrophobicContact CZ2-CG2 4.18Å; W363-R392 VanDerWaalsContact CD1-NE 3.3Å; W363-R392 HydrophobicContact CD2-CG 4.28Å; W363-R392 VanDerWaalsContact CE2-CG 3.48Å; W363-R392 VanDerWaalsContact CE2-NE 3.27Å; W363-R392 HydrophobicContact CH2-CG 4.3Å; W363-R392 HydrophobicContact CZ2-CG 3.49Å; W363-R392 VanDerWaalsContact CZ2-CG 3.49Å; W363-P405 HydrophobicContact CH2-CB 3.89Å; W363-P405 HydrophobicContact CH2-CG 3.44Å; W363-P405 VanDerWaalsContact CH2-CG 3.44Å; W363-P405 HydrophobicContact CZ2-CB 4.37Å; W363-P405 HydrophobicContact CZ2-CG 4.32Å; W363-P405 HydrophobicContact CZ3-CG 4.2Å
364	N	79	Confident	76.1	Confident	105 Å²	105	67.4 Å²	67.4	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-62.3	-39.4	179.9	-69.9	-22.7	0	0	0	111.3	G360 T361 V367 A368	G360-N364 PolarHBondContact O-N 3.37Å; T361-N364 PolarHBondContact O-N 3.2Å; N364-V367 PolarHBondContact O-N 2.96Å; N364-A368 WeakPolarHBondContact O-CB 3.39Å; N364-A368 PolarHBondContact O-N 2.74Å
365	D	77.6	Confident	77.3	Confident	103 Å²	103	65.2 Å²	65.2	55%	0.551	37%	0.371	S	S	*	.	H	α-helix	trans	-65.7	-42.3	175.4	-63	-25	0	0	0	111.3	T361 W363 A368 N369	T361-D365 PolarHBondContact O-N 2.74Å; W363-D365 VanDerWaalsContact C-N 3.28Å; W363-D365 PolarHBondContact O-N 2.75Å; D365-A368 PolarHBondContact O-N 2.71Å; D365-N369 WeakPolarHBondContact O-CB 3.43Å; D365-N369 VanDerWaalsContact O-CG 3.26Å; D365-N369 PolarHBondContact O-N 3.15Å; D365-N369 PolarHBondContact O-ND2 2.76Å
366	L	77.8	Confident	78.4	Confident	49 Å²	49	58.1 Å²	58.1	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-46	174.3	-179.4	143.4	0	0	0	111.4	Q362 W363 A368 N369 L370	Q362-L366 VanDerWaalsContact O-CB 3.27Å; Q362-L366 WeakPolarHBondContact O-CB 3.48Å; Q362-L366 PolarHBondContact O-N 3.44Å; W363-L366 HydrophobicContact CE3-CD2 4.43Å; W363-L366 HydrophobicContact CZ3-CD2 4.3Å; W363-L366 WeakPolarHBondContact O-CB 3.27Å; W363-L366 PolarHBondContact O-N 3.13Å; L366-A368 PolarHBondContact O-N 2.93Å; L366-N369 PolarHBondContact O-N 3.37Å; L366-L370 HydrophobicContact CD2-CD1 3.54Å; L366-L370 HydrophobicContact CD2-CG 4.45Å; L366-L370 HydrophobicContact CG-CD1 4.18Å; L366-L370 VanDerWaalsContact O-CG 3.24Å; L366-L370 WeakPolarHBondContact O-CG 3.35Å; L366-L370 PolarHBondContact O-N 3.15Å; L366-L370 VanDerWaalsContact O-N 3.08Å
367	V	82.9	Confident	79.7	Confident	33 Å²	33	56.1 Å²	56.1	20%	0.2	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-44	176.8	171.2	0	0	0	0	111.4	W363 N364 N369 L370 K371 I390	W363-V367 HydrophobicContact CD2-CG2 4.19Å; W363-V367 HydrophobicContact CG-CG2 4.3Å; W363-V367 HydrophobicContact CZ2-CG2 4.02Å; W363-V367 WeakPolarHBondContact O-CG2 3.46Å; W363-V367 PolarHBondContact O-N 3.18Å; N364-V367 PolarHBondContact O-N 2.96Å; V367-N369 VanDerWaalsContact C-N 3.3Å; V367-N369 PolarHBondContact O-N 3.31Å; V367-L370 PolarHBondContact O-N 2.77Å; V367-K371 PolarHBondContact O-N 3.28Å; V367-I390 HydrophobicContact CB-CG2 3.88Å; V367-I390 HydrophobicContact CG1-CG2 3.74Å; V367-I390 HydrophobicContact CG2-CG2 3.21Å
368	A	80.9	Confident	81.4	Confident	63 Å²	63	47.1 Å²	47.1	52%	0.521	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-41.6	179.2	0	0	0	0	0	111.5	N364 D365 L366 K371	N364-A368 WeakPolarHBondContact O-CB 3.39Å; N364-A368 PolarHBondContact O-N 2.74Å; D365-A368 PolarHBondContact O-N 2.71Å; L366-A368 PolarHBondContact O-N 2.93Å; A368-K371 PolarHBondContact O-N 3.26Å
369	N	82	Confident	83	Confident	114 Å²	114	50.6 Å²	50.6	61%	0.61	29%	0.285	S	S	*	.	H	α-helix	trans	-73.4	-24.6	179.3	-70.7	-25.7	0	0	0	114	D365 L366 V367 Y488	D365-N369 WeakPolarHBondContact O-CB 3.43Å; D365-N369 VanDerWaalsContact O-CG 3.26Å; D365-N369 PolarHBondContact O-N 3.15Å; D365-N369 PolarHBondContact O-ND2 2.76Å; L366-N369 PolarHBondContact O-N 3.37Å; V367-N369 VanDerWaalsContact C-N 3.3Å; V367-N369 PolarHBondContact O-N 3.31Å; N369-Y488 PolarHBondContact O-OH 2.78Å; N369-Y488 VanDerWaalsContact O-OH 3.1Å
370	L	84.6	Confident	84.4	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-83.5	-20.6	177.4	-70.2	176.6	0	0	0	113.2	V351 L366 V367 G372 Q373 L387 I390 K484	V351-L370 HydrophobicContact CG1-CD1 4.06Å; L366-L370 HydrophobicContact CD2-CD1 3.54Å; L366-L370 HydrophobicContact CD2-CG 4.45Å; L366-L370 HydrophobicContact CG-CD1 4.18Å; L366-L370 VanDerWaalsContact O-CG 3.24Å; L366-L370 WeakPolarHBondContact O-CG 3.35Å; L366-L370 PolarHBondContact O-N 3.15Å; L366-L370 VanDerWaalsContact O-N 3.08Å; V367-L370 PolarHBondContact O-N 2.77Å; L370-G372 PolarHBondContact O-N 2.98Å; L370-Q373 VanDerWaalsContact CD2-OE1 3.31Å; L370-Q373 VanDerWaalsContact O-CB 3.25Å; L370-Q373 WeakPolarHBondContact O-CB 3.46Å; L370-Q373 PolarHBondContact O-N 3.1Å; L370-L387 HydrophobicContact CB-CD1 4.36Å; L370-L387 HydrophobicContact CB-CD2 4.04Å; L370-I390 HydrophobicContact CD1-CD1 4.4Å; L370-K484 HydrophobicContact CD2-CD 3.63Å; L370-K484 HydrophobicContact CD2-CG 3.77Å
371	K	87	Confident	85.5	Confident	113 Å²	113	50.3 Å²	50.3	49%	0.491	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	119.3	-173.7	-175.5	174.3	-176.5	-178.9	0	111.4	V367 A368 Q373	V367-K371 PolarHBondContact O-N 3.28Å; A368-K371 PolarHBondContact O-N 3.26Å; K371-Q373 VanDerWaalsContact C-N 3.32Å
372	G	86	Confident	86.6	Confident	6 Å²	6	45.7 Å²	45.7	6%	0.062	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-6.9	-179.3	0	0	0	0	0	114.3	L370 L387 Y488	L370-G372 PolarHBondContact O-N 2.98Å; G372-L387 WeakPolarHBondContact CA-O 3.34Å; G372-L387 PolarHBondContact N-O 3.34Å; G372-Y488 VanDerWaalsContact C-CD1 3.48Å; G372-Y488 WeakPolarHBondContact O-CD1 3.33Å
373	Q	91.3	Very high	87.5	Confident	19 Å²	19	40.6 Å²	40.6	9%	0.089	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	151.7	178.8	-160.2	179.3	28.4	0	0	110.9	L370 K371 L387 M487 Y488	L370-Q373 VanDerWaalsContact CD2-OE1 3.31Å; L370-Q373 VanDerWaalsContact O-CB 3.25Å; L370-Q373 WeakPolarHBondContact O-CB 3.46Å; L370-Q373 PolarHBondContact O-N 3.1Å; K371-Q373 VanDerWaalsContact C-N 3.32Å; Q373-L387 PolarHBondContact O-N 3.32Å; Q373-M487 WeakPolarHBondContact CG-O 3.39Å; Q373-Y488 HydrophobicContact CB-CE1 4.14Å; Q373-Y488 HydrophobicContact CG-CE2 4.32Å
374	L	93.9	Very high	88.3	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.5	167.6	-59.6	177.9	0	0	0	109.4	L385 R386 T485 M487 V492 C555	L374-L385 WeakPolarHBondContact CA-O 3.3Å; L374-R386 HydrophobicContact CD2-CB 4.21Å; L374-T485 PolarHBondContact O-N 2.6Å; L374-T485 PolarHBondContact O-OG1 3.39Å; L374-M487 HydrophobicContact CD1-CB 4.33Å; L374-M487 PolarHBondContact N-O 2.93Å; L374-V492 HydrophobicContact CD1-CG2 3.61Å; L374-C555 HydrophobicContact CD2-CB 3.7Å
375	V	94.7	Very high	89.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.8	171.9	-64.8	0	0	0	0	108.7	V351 S384 L385 L387 I407 F482 Y483	V351-V375 HydrophobicContact CG2-CB 4.14Å; V351-V375 HydrophobicContact CG2-CG1 3.6Å; V375-S384 CarbonylContact O-C 3.52Å; V375-S384 VanDerWaalsContact O-CA 3.27Å; V375-S384 WeakPolarHBondContact O-CA 3.35Å; V375-L385 WeakPolarHBondContact CG2-O 3.36Å; V375-L385 PolarHBondContact N-O 3.42Å; V375-L385 PolarHBondContact O-N 3.23Å; V375-L387 HydrophobicContact CG1-CB 3.98Å; V375-L387 HydrophobicContact CG1-CD1 3.85Å; V375-L387 HydrophobicContact CG2-CB 4.13Å; V375-I407 HydrophobicContact CG2-CD1 4.35Å; V375-F482 HydrophobicContact CB-CD1 4.13Å; V375-F482 HydrophobicContact CG2-CD1 3.84Å; V375-F482 HydrophobicContact CG2-CE1 4.31Å; V375-Y483 CarbonylContact C-O 3.57Å; V375-Y483 VanDerWaalsContact CA-O 3.23Å; V375-Y483 WeakPolarHBondContact CA-O 3.5Å
376	S	95	Very high	89.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.8	-175.6	-169	0	0	0	0	112.5	Y83 S383 F482 Y483	Y83-S376 WeakPolarHBondContact OH-CB 3.37Å; Y83-S376 PolarHBondContact OH-OG 3.03Å; S376-S383 CarbonylContact C-O 3.55Å; S376-S383 VanDerWaalsContact CA-O 3.28Å; S376-S383 WeakPolarHBondContact CA-O 3.2Å; S376-S383 PolarHBondContact OG-O 2.95Å; S376-S383 VanDerWaalsContact OG-O 3.11Å; S376-F482 WeakPolarHBondContact O-CA 3.4Å; S376-Y483 PolarHBondContact N-O 3.27Å; S376-Y483 PolarHBondContact O-N 3.25Å
377	N	94.6	Very high	90.5	Very high	19 Å²	19	28 Å²	28	10%	0.102	15%	0.146	C	C	.	.			trans	-120.6	102.9	167.8	-175.4	-32.3	0	0	0	108	F379 K380 S383 F482	N377-F379 PolarHBondContact O-N 3.36Å; N377-F379 PolarHBondContact OD1-N 3.4Å; N377-F379 VanDerWaalsContact OD1-N 3.15Å; N377-K380 HydrophobicContact CB-CB 4.19Å; N377-K380 HydrophobicContact CB-CG 4.34Å; N377-K380 PolarHBondContact O-N 3.24Å; N377-S383 PolarHBondContact N-O 2.99Å; N377-F482 HydrophobicContact CB-CD1 4Å; N377-F482 HydrophobicContact CB-CE1 3.92Å; N377-F482 HydrophobicContact CB-CE2 4.43Å; N377-F482 HydrophobicContact CB-CG 4.31Å; N377-F482 HydrophobicContact CB-CZ 4.16Å
378	P	92.9	Very high	90.9	Very high	4 Å²	4	27 Å²	27	3%	0.026	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.9	-175.2	-26.9	33.4	0	0	0	114	L82 Y83 A86 Q90 Y348	L82-P378 HydrophobicContact CD2-CG 3.89Å; L82-P378 HydrophobicContact CG-CB 4.31Å; L82-P378 HydrophobicContact CG-CG 4.1Å; Y83-P378 HydrophobicContact CD1-CB 3.94Å; Y83-P378 HydrophobicContact CD1-CG 4.41Å; Y83-P378 HydrophobicContact CD2-CG 4.43Å; Y83-P378 HydrophobicContact CE1-CB 3.95Å; Y83-P378 HydrophobicContact CE1-CG 4.01Å; Y83-P378 HydrophobicContact CE2-CB 4.48Å; Y83-P378 HydrophobicContact CE2-CG 3.99Å; Y83-P378 HydrophobicContact CG-CB 4.24Å; A86-P378 VanDerWaalsContact CB-C 3.47Å; A86-P378 HydrophobicContact CB-CB 3.84Å; A86-P378 WeakPolarHBondContact CB-O 3.46Å; Q90-P378 PolarHBondContact NE2-O 3.08Å; Y348-P378 WeakPolarHBondContact OH-CG 3.35Å
379	F	92.2	Very high	91.2	Very high	98 Å²	98	27.7 Å²	27.7	43%	0.43	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.4	-175.4	-63.5	-83.8	0	0	0	114	L82 A86 Q90 N377	L82-F379 HydrophobicContact CD1-CE2 4.08Å; L82-F379 HydrophobicContact CD1-CZ 4.18Å; A86-F379 HydrophobicContact CB-CD1 3.61Å; A86-F379 HydrophobicContact CB-CD2 4.45Å; A86-F379 HydrophobicContact CB-CE1 3.75Å; A86-F379 HydrophobicContact CB-CG 3.99Å; A86-F379 HydrophobicContact CB-CZ 4.23Å; Q90-F379 PolarHBondContact NE2-O 2.82Å; N377-F379 PolarHBondContact O-N 3.36Å; N377-F379 PolarHBondContact OD1-N 3.4Å; N377-F379 VanDerWaalsContact OD1-N 3.15Å
380	K	92	Very high	91.5	Very high	80 Å²	80	22.6 Å²	22.6	35%	0.348	10%	0.104	S	C	.	.	S	Bend	trans	-113.8	166.2	178.1	-64.9	-65.8	-172	173.2	0	111.9	A155 L157 N377 S383	A155-K380 CarbonylContact O-C 3.58Å; A155-K380 WeakPolarHBondContact O-CA 3.36Å; L157-K380 HydrophobicContact CB-CB 4.23Å; L157-K380 HydrophobicContact CD1-CB 3.76Å; L157-K380 HydrophobicContact CD1-CG 3.91Å; N377-K380 HydrophobicContact CB-CB 4.19Å; N377-K380 HydrophobicContact CB-CG 4.34Å; N377-K380 PolarHBondContact O-N 3.24Å; K380-S383 WeakPolarHBondContact O-CA 3.1Å; K380-S383 PolarHBondContact O-N 2.89Å
381	R	90.4	Very high	91.4	Very high	15 Å²	15	25.2 Å²	25.2	6%	0.057	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-136.1	121.5	-175.8	-60.2	-155.7	67.6	-151.1	-9.9	111.6	A155 R156 L157 F163 N164 E165 E299	A155-R381 HydrophobicContact CB-CB 4.44Å; A155-R381 HydrophobicContact CB-CG 3.9Å; A155-R381 PolarHBondContact O-N 3.34Å; R156-R381 CarbonylContact C-O 3.49Å; R156-R381 WeakPolarHBondContact CA-O 3.45Å; L157-R381 WeakPolarHBondContact CB-O 3.44Å; L157-R381 PolarHBondContact N-O 2.75Å; F163-R381 HydrophobicContact CB-CB 3.83Å; F163-R381 HydrophobicContact CD1-CB 3.85Å; F163-R381 HydrophobicContact CD2-CB 4.42Å; F163-R381 VanDerWaalsContact CD2-NH2 3.3Å; F163-R381 VanDerWaalsContact CE2-NH1 3.34Å; F163-R381 HydrophobicContact CG-CB 3.78Å; N164-R381 PolarHBondContact O-NH2 3.16Å; E165-R381 VanDerWaalsContact CG-NH1 3.32Å; E165-R381 IonicContact OE1-NH1 3.44Å; E299-R381 IonicContact OE1-NE 3.33Å; E299-R381 IonicContact OE1-NH2 3.16Å; E299-R381 IonicContact OE2-CZ 2.72Å; E299-R381 IonicContact OE2-NE 2.7Å; E299-R381 IonicContact OE2-NH2 3.51Å; E299-R381 PolarHBondContact OE2-NH2 3.45Å
382	P	93.1	Very high	90.7	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.026	12%	0.117	C	C	.	.	S	Bend	cis	-61.5	147.6	-1.4	29.3	-38.2	0	0	0	111.6	L161 F163 E299 N554	L161-P382 HydrophobicContact CB-CG 4.33Å; L161-P382 HydrophobicContact CD1-CG 4.25Å; F163-P382 HydrophobicContact CB-CB 4.39Å; E299-P382 WeakPolarHBondContact OE1-CA 3.3Å; P382-N554 WeakPolarHBondContact CB-ND2 3.36Å; P382-N554 HydrophobicContact CG-CB 4.44Å; P382-N554 WeakPolarHBondContact CG-ND2 3.36Å
383	S	92.4	Very high	89.6	Confident	4 Å²	4	27.4 Å²	27.4	3%	0.028	13%	0.127	C	C	.	.	S	Bend	trans	-63.7	-44.6	-179.9	60.2	0	0	0	0	112	D296 L297 E299 S376 N377 K380	D296-S383 PolarHBondContact O-OG 3.47Å; L297-S383 PolarHBondContact O-OG 2.97Å; E299-S383 PolarHBondContact OE1-N 3.3Å; S376-S383 CarbonylContact C-O 3.55Å; S376-S383 VanDerWaalsContact CA-O 3.28Å; S376-S383 WeakPolarHBondContact CA-O 3.2Å; S376-S383 PolarHBondContact OG-O 2.95Å; S376-S383 VanDerWaalsContact OG-O 3.11Å; N377-S383 PolarHBondContact N-O 2.99Å; K380-S383 WeakPolarHBondContact O-CA 3.1Å; K380-S383 PolarHBondContact O-N 2.89Å
384	S	94.8	Very high	87.6	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	152.4	-177.4	73.1	0	0	0	0	114	L297 V375 C555	L297-S384 PolarHBondContact O-OG 3.17Å; V375-S384 CarbonylContact O-C 3.52Å; V375-S384 VanDerWaalsContact O-CA 3.27Å; V375-S384 WeakPolarHBondContact O-CA 3.35Å; S384-C555 PolarHBondContact OG-SG 3.17Å
385	L	94.6	Very high	85.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	149.1	-179.6	-161.4	84.2	0	0	0	109.8	L161 L374 V375 H409 L477 N554	L161-L385 HydrophobicContact CD1-CD1 3.58Å; L161-L385 HydrophobicContact CD2-CD1 4.23Å; L374-L385 WeakPolarHBondContact CA-O 3.3Å; V375-L385 WeakPolarHBondContact CG2-O 3.36Å; V375-L385 PolarHBondContact N-O 3.42Å; V375-L385 PolarHBondContact O-N 3.23Å; L385-H409 HydrophobicContact CD2-CB 3.38Å; L385-H409 HydrophobicContact CG-CB 4.06Å; L385-L477 HydrophobicContact CD2-CD1 4.08Å; L385-N554 HydrophobicContact CD1-CB 4.38Å
386	R	93.7	Very high	82.9	Confident	8 Å²	8	42.3 Å²	42.3	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	125	168.8	-175.3	-174	73	-119	-7.9	110.8	L374 D388 H409 F410 N554 G556 L557 R558	L374-R386 HydrophobicContact CD2-CB 4.21Å; R386-D388 IonicContact CZ-OD1 3.79Å; R386-D388 IonicContact CZ-OD2 3.68Å; R386-D388 IonicContact NE-OD1 3.3Å; R386-D388 PolarHBondContact NE-OD1 3.08Å; R386-D388 IonicContact NE-OD2 3.08Å; R386-D388 PolarHBondContact NE-OD2 2.97Å; R386-D388 IonicContact NH2-OD1 2.6Å; R386-D388 PolarHBondContact NH2-OD1 2.66Å; R386-D388 IonicContact NH2-OD2 3.05Å; R386-D388 PolarHBondContact NH2-OD2 3.21Å; R386-H409 PolarHBondContact O-ND1 2.94Å; R386-F410 PolarHBondContact NH2-O 3.27Å; R386-N554 PolarHBondContact N-O 3.36Å; R386-G556 WeakPolarHBondContact CD-O 3.43Å; R386-G556 PolarHBondContact NH1-O 3.41Å; R386-L557 PolarHBondContact NH1-O 3.45Å; R386-R558 VanDerWaalsContact NH1-N 3.18Å
387	L	92.5	Very high	80.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.255	C	S	.	.			trans	-83.4	116.3	171.2	-172.7	156	0	0	0	109.2	V351 L370 G372 Q373 V375 I407	V351-L387 HydrophobicContact CG1-CD1 4.22Å; L370-L387 HydrophobicContact CB-CD1 4.36Å; L370-L387 HydrophobicContact CB-CD2 4.04Å; G372-L387 WeakPolarHBondContact CA-O 3.34Å; G372-L387 PolarHBondContact N-O 3.34Å; Q373-L387 PolarHBondContact O-N 3.32Å; V375-L387 HydrophobicContact CG1-CB 3.98Å; V375-L387 HydrophobicContact CG1-CD1 3.85Å; V375-L387 HydrophobicContact CG2-CB 4.13Å; L387-I407 HydrophobicContact CB-CG2 4.48Å; L387-I407 HydrophobicContact CD1-CD1 4.36Å; L387-I407 HydrophobicContact CD1-CG1 4.11Å; L387-I407 HydrophobicContact CD1-CG2 4.27Å; L387-I407 HydrophobicContact CG-CG2 4.07Å
388	D	90.1	Very high	78.4	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.053	29%	0.287	C	S	.	.			trans	-99.6	-30.2	178.8	-71.7	-55.1	0	0	0	113.7	R386 V408 H409 F410	R386-D388 IonicContact CZ-OD1 3.79Å; R386-D388 IonicContact CZ-OD2 3.68Å; R386-D388 IonicContact NE-OD1 3.3Å; R386-D388 PolarHBondContact NE-OD1 3.08Å; R386-D388 IonicContact NE-OD2 3.08Å; R386-D388 PolarHBondContact NE-OD2 2.97Å; R386-D388 IonicContact NH2-OD1 2.6Å; R386-D388 PolarHBondContact NH2-OD1 2.66Å; R386-D388 IonicContact NH2-OD2 3.05Å; R386-D388 PolarHBondContact NH2-OD2 3.21Å; D388-V408 PolarHBondContact N-O 3.04Å; D388-H409 IonicContact OD2-ND1 3.54Å; D388-F410 HydrophobicContact CB-CD2 3.47Å; D388-F410 VanDerWaalsContact CB-CD2 3.47Å; D388-F410 HydrophobicContact CB-CE2 3.87Å; D388-F410 PolarHBondContact OD2-N 3.41Å
389	Q	88	Confident	76.3	Confident	78 Å²	78	58.2 Å²	58.2	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	151.8	-179.1	169	174.8	-10.2	0	0	108.8	D391 V408 F410	Q389-D391 WeakPolarHBondContact CG-OD1 3.43Å; Q389-D391 PolarHBondContact NE2-OD1 3.33Å; Q389-D391 PolarHBondContact NE2-OD2 3.12Å; Q389-V408 HydrophobicContact CB-CB 4.03Å; Q389-V408 HydrophobicContact CG-CB 4.4Å; Q389-V408 HydrophobicContact CG-CG2 4.41Å; Q389-V408 PolarHBondContact N-O 3.26Å; Q389-V408 PolarHBondContact O-N 3.38Å; Q389-F410 HydrophobicContact CB-CE2 4.49Å
390	I	87.3	Confident	74.2	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.036	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.1	173.7	-163.3	174.1	0	0	0	108.6	V351 W363 V367 L370 P405 I406	V351-I390 HydrophobicContact CG1-CD1 3.93Å; W363-I390 HydrophobicContact CH2-CD1 4.3Å; W363-I390 HydrophobicContact CZ2-CG2 4.18Å; V367-I390 HydrophobicContact CB-CG2 3.88Å; V367-I390 HydrophobicContact CG1-CG2 3.74Å; V367-I390 HydrophobicContact CG2-CG2 3.21Å; L370-I390 HydrophobicContact CD1-CD1 4.4Å; I390-P405 HydrophobicContact CD1-CB 3.86Å; I390-P405 HydrophobicContact CD1-CG 4.46Å; I390-P405 HydrophobicContact CG1-CB 3.73Å; I390-I406 CarbonylContact C-O 3.55Å; I390-I406 VanDerWaalsContact CA-O 3.28Å; I390-I406 WeakPolarHBondContact CA-O 3.5Å
391	D	82.4	Confident	72.5	Confident	60 Å²	60	59.6 Å²	59.6	32%	0.321	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.6	-176.4	-68.3	-26.2	0	0	0	110.1	Q389 P405 I406 V408	Q389-D391 WeakPolarHBondContact CG-OD1 3.43Å; Q389-D391 PolarHBondContact NE2-OD1 3.33Å; Q389-D391 PolarHBondContact NE2-OD2 3.12Å; D391-P405 WeakPolarHBondContact O-CA 3.4Å; D391-I406 HydrophobicContact CB-CB 4.48Å; D391-I406 PolarHBondContact N-O 2.85Å; D391-I406 PolarHBondContact O-N 2.78Å; D391-V408 WeakPolarHBondContact OD2-CG2 3.27Å
392	R	73.7	Confident	70.8	Confident	121 Å²	121	61.2 Å²	61.2	46%	0.457	35%	0.347	S	S	.	.			trans	-73.4	133.2	171.7	-77.8	-179.2	167.1	179.7	-10.1	108.8	A358 W363 T394	A358-R392 PolarHBondContact O-NH2 2.78Å; W363-R392 VanDerWaalsContact CD1-NE 3.3Å; W363-R392 HydrophobicContact CD2-CG 4.28Å; W363-R392 VanDerWaalsContact CE2-CG 3.48Å; W363-R392 VanDerWaalsContact CE2-NE 3.27Å; W363-R392 HydrophobicContact CH2-CG 4.3Å; W363-R392 HydrophobicContact CZ2-CG 3.49Å; W363-R392 VanDerWaalsContact CZ2-CG 3.49Å; R392-T394 PolarHBondContact O-N 3.09Å
393	T	61.5	Low	69.6	Low	45 Å²	45	65.7 Å²	65.7	28%	0.276	38%	0.378	S	S	.	.			trans	-65.9	93.8	-178.9	-10.8	0	0	0	0	110.2	V395 Y404 I406	T393-V395 PolarHBondContact O-N 2.59Å; T393-Y404 PolarHBondContact OG1-O 2.95Å; T393-I406 HydrophobicContact CG2-CD1 4.4Å; T393-I406 HydrophobicContact CG2-CG1 4.47Å
394	T	51.1	Low	68.9	Low	122 Å²	122	68.1 Å²	68.1	75%	0.748	39%	0.387	S	S	*	.			trans	-87.2	90.3	163.7	42.4	0	0	0	0	108.1	R392 V396	R392-T394 PolarHBondContact O-N 3.09Å; T394-V396 PolarHBondContact O-N 2.85Å
395	V	44.8	Very low	68.5	Low	137 Å²	137	68.2 Å²	68.2	83%	0.83	39%	0.388	S	S	*	.			trans	37.3	77	162.1	-165.5	0	0	0	0	114.2	T393	T393-V395 PolarHBondContact O-N 2.59Å
396	V	44.3	Very low	68.2	Low	73 Å²	73	69.1 Å²	69.1	44%	0.442	39%	0.392	S	S	.	.			trans	-103.4	114.6	162.4	-172.3	0	0	0	0	107.1	T394 D398 F399	T394-V396 PolarHBondContact O-N 2.85Å; V396-D398 PolarHBondContact O-N 3.31Å; V396-F399 HydrophobicContact CB-CD2 4.33Å; V396-F399 HydrophobicContact CG1-CD2 4.3Å
397	P	44.4	Very low	68	Low	118 Å²	118	68.8 Å²	68.8	77%	0.766	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.3	-169.5	-24.6	32.9	0	0	0	116.4
398	D	50.3	Low	68	Low	143 Å²	143	68.9 Å²	68.9	77%	0.765	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	0.2	-167.4	-63.2	-31.7	0	0	0	114.7	V396	V396-D398 PolarHBondContact O-N 3.31Å
399	F	49.1	Very low	68.1	Low	96 Å²	96	68.5 Å²	68.5	42%	0.421	39%	0.389	S	S	.	.			trans	-96.3	108.8	174.6	-80.4	-84.1	0	0	0	111.1	V396 D401 G402	V396-F399 HydrophobicContact CB-CD2 4.33Å; V396-F399 HydrophobicContact CG1-CD2 4.3Å; F399-D401 PolarHBondContact O-N 3.21Å; F399-G402 PolarHBondContact O-N 3.49Å
400	V	49.1	Very low	68.3	Low	148 Å²	148	67.2 Å²	67.2	90%	0.897	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.1	172.4	-173.4	0	0	0	0	112.2
401	D	55.4	Low	68.2	Low	60 Å²	60	67 Å²	67	32%	0.321	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	41.6	-180	-76.7	-34.9	0	0	0	113	F399 C403 Y404 K480	F399-D401 PolarHBondContact O-N 3.21Å; D401-C403 PolarHBondContact O-N 2.95Å; D401-Y404 HydrophobicContact CB-CD2 4.36Å; D401-Y404 PolarHBondContact O-N 3.25Å; D401-Y404 VanDerWaalsContact O-N 3.16Å; D401-K480 IonicContact OD1-NZ 2.63Å; D401-K480 PolarHBondContact OD1-NZ 3.42Å; D401-K480 VanDerWaalsContact OD2-CD 3.25Å; D401-K480 WeakPolarHBondContact OD2-CD 3.38Å; D401-K480 IonicContact OD2-NZ 3.98Å; D401-K480 PolarHBondContact OD2-NZ 2.97Å
402	G	55.2	Low	68.4	Low	48 Å²	48	66.5 Å²	66.5	50%	0.495	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-2.9	-173.1	0	0	0	0	0	117.7	F399	F399-G402 PolarHBondContact O-N 3.49Å
403	C	67.8	Low	68.9	Low	98 Å²	98	61.5 Å²	61.5	66%	0.662	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.1	177.7	-61.1	0	0	0	0	114.4	F352 D401	F352-C403 WeakPolarHBondContact CE1-O 3.45Å; D401-C403 PolarHBondContact O-N 2.95Å
404	Y	78.2	Confident	69.9	Low	55 Å²	55	60 Å²	60	22%	0.216	35%	0.354	C	S	.	.	S	Bend	trans	-105	136.8	-176.2	-68.4	-90.5	0	0	0	111.8	F352 P354 T393 D401 S478 K480	F352-Y404 AromaticContact CD1-CD1 3.95Å; F352-Y404 HydrophobicContact CD1-CD1 3.95Å; F352-Y404 HydrophobicContact CD1-CE1 4.44Å; P354-Y404 HydrophobicContact CG-CD1 4.45Å; P354-Y404 HydrophobicContact CG-CE1 3.55Å; P354-Y404 HydrophobicContact CG-CE2 4.43Å; P354-Y404 WeakPolarHBondContact CG-OH 3.43Å; T393-Y404 PolarHBondContact OG1-O 2.95Å; D401-Y404 HydrophobicContact CB-CD2 4.36Å; D401-Y404 PolarHBondContact O-N 3.25Å; D401-Y404 VanDerWaalsContact O-N 3.16Å; Y404-S478 WeakPolarHBondContact CB-OG 3.48Å; Y404-K480 HydrophobicContact CD1-CB 3.97Å; Y404-K480 HydrophobicContact CD1-CG 4.5Å; Y404-K480 HydrophobicContact CD2-CB 4.08Å; Y404-K480 HydrophobicContact CD2-CD 4.26Å; Y404-K480 HydrophobicContact CD2-CG 4.31Å; Y404-K480 HydrophobicContact CE1-CB 4.16Å; Y404-K480 HydrophobicContact CE1-CG 4.21Å; Y404-K480 HydrophobicContact CE2-CB 4.28Å; Y404-K480 HydrophobicContact CE2-CD 4.01Å; Y404-K480 HydrophobicContact CE2-CG 4.02Å; Y404-K480 HydrophobicContact CG-CB 3.92Å
405	P	85	Confident	71.2	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.032	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-58.2	156.8	169.6	-21.4	29.5	0	0	0	112.9	F352 W363 I390 D391 S479	F352-P405 HydrophobicContact CB-CG 4.15Å; F352-P405 HydrophobicContact CD1-CG 4.09Å; F352-P405 HydrophobicContact CD2-CG 3.68Å; F352-P405 HydrophobicContact CE1-CG 4.39Å; F352-P405 HydrophobicContact CE2-CG 4.04Å; F352-P405 VanDerWaalsContact CG-CD 3.49Å; F352-P405 HydrophobicContact CG-CG 3.7Å; F352-P405 HydrophobicContact CZ-CG 4.37Å; W363-P405 HydrophobicContact CH2-CB 3.89Å; W363-P405 HydrophobicContact CH2-CG 3.44Å; W363-P405 VanDerWaalsContact CH2-CG 3.44Å; W363-P405 HydrophobicContact CZ2-CB 4.37Å; W363-P405 HydrophobicContact CZ2-CG 4.32Å; W363-P405 HydrophobicContact CZ3-CG 4.2Å; I390-P405 HydrophobicContact CD1-CB 3.86Å; I390-P405 HydrophobicContact CD1-CG 4.46Å; I390-P405 HydrophobicContact CG1-CB 3.73Å; D391-P405 WeakPolarHBondContact O-CA 3.4Å; P405-S479 WeakPolarHBondContact CD-OG 3.47Å; P405-S479 VanDerWaalsContact O-CB 3.29Å; P405-S479 WeakPolarHBondContact O-CB 3.38Å; P405-S479 PolarHBondContact O-N 3Å; P405-S479 PolarHBondContact O-OG 2.93Å
406	I	88	Confident	72.8	Confident	19 Å²	19	52.1 Å²	52.1	10%	0.097	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.1	178.2	-59.7	175.8	0	0	0	109	I390 D391 T393 V408 E476 L477	I390-I406 CarbonylContact C-O 3.55Å; I390-I406 VanDerWaalsContact CA-O 3.28Å; I390-I406 WeakPolarHBondContact CA-O 3.5Å; D391-I406 HydrophobicContact CB-CB 4.48Å; D391-I406 PolarHBondContact N-O 2.85Å; D391-I406 PolarHBondContact O-N 2.78Å; T393-I406 HydrophobicContact CG2-CD1 4.4Å; T393-I406 HydrophobicContact CG2-CG1 4.47Å; I406-V408 HydrophobicContact CG2-CG2 4.33Å; I406-E476 HydrophobicContact CG2-CB 3.79Å; I406-E476 HydrophobicContact CG2-CG 4.23Å; I406-L477 CarbonylContact C-O 3.58Å; I406-L477 WeakPolarHBondContact CA-O 3.14Å
407	I	90.7	Very high	74.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.7	168.1	-64.4	175.6	0	0	0	108.1	V351 V375 L387 E476 L477 F482	V351-I407 HydrophobicContact CG1-CD1 4.5Å; V375-I407 HydrophobicContact CG2-CD1 4.35Å; L387-I407 HydrophobicContact CB-CG2 4.48Å; L387-I407 HydrophobicContact CD1-CD1 4.36Å; L387-I407 HydrophobicContact CD1-CG1 4.11Å; L387-I407 HydrophobicContact CD1-CG2 4.27Å; L387-I407 HydrophobicContact CG-CG2 4.07Å; I407-E476 WeakPolarHBondContact O-CA 3.43Å; I407-L477 PolarHBondContact N-O 3.48Å; I407-L477 PolarHBondContact O-N 2.62Å; I407-F482 HydrophobicContact CD1-CB 3.87Å; I407-F482 HydrophobicContact CD1-CD1 4.15Å; I407-F482 HydrophobicContact CD1-CD2 3.83Å; I407-F482 HydrophobicContact CD1-CE2 4.37Å; I407-F482 HydrophobicContact CD1-CG 3.68Å
408	V	91.9	Very high	76.1	Confident	4 Å²	4	45 Å²	45	2%	0.024	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.9	175.6	-174.9	0	0	0	0	109.3	D388 Q389 D391 I406 F410 T474 I475 E476	D388-V408 PolarHBondContact N-O 3.04Å; Q389-V408 HydrophobicContact CB-CB 4.03Å; Q389-V408 HydrophobicContact CG-CB 4.4Å; Q389-V408 HydrophobicContact CG-CG2 4.41Å; Q389-V408 PolarHBondContact N-O 3.26Å; Q389-V408 PolarHBondContact O-N 3.38Å; D391-V408 WeakPolarHBondContact OD2-CG2 3.27Å; I406-V408 HydrophobicContact CG2-CG2 4.33Å; V408-F410 HydrophobicContact CG1-CE1 4.25Å; V408-F410 HydrophobicContact CG1-CE2 3.94Å; V408-F410 HydrophobicContact CG1-CZ 3.76Å; V408-T474 HydrophobicContact CG1-CG2 3.66Å; V408-I475 WeakPolarHBondContact CA-O 3.32Å; V408-E476 HydrophobicContact CG2-CG 4.36Å
409	H	92.8	Very high	77.5	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.2	176.2	173.3	77	0	0	0	110.7	L385 R386 D388 G411 I475 S553 N554	L385-H409 HydrophobicContact CD2-CB 3.38Å; L385-H409 HydrophobicContact CG-CB 4.06Å; R386-H409 PolarHBondContact O-ND1 2.94Å; D388-H409 IonicContact OD2-ND1 3.54Å; H409-G411 PolarHBondContact CD2-N 2.97Å; H409-G411 WeakPolarHBondContact NE2-CA 3.34Å; H409-G411 PolarHBondContact O-N 3.12Å; H409-I475 HydrophobicContact CB-CB 4.37Å; H409-I475 PolarHBondContact N-O 3.29Å; H409-I475 PolarHBondContact O-N 3.31Å; H409-S553 PolarHBondContact NE2-O 3.15Å; H409-N554 PolarHBondContact CE1-O 2.97Å
410	F	90.9	Very high	78.8	Confident	51 Å²	51	38.7 Å²	38.7	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	86.9	173.8	-58.7	-80.1	0	0	0	109.1	R386 D388 Q389 V408 T474 R558	R386-F410 PolarHBondContact NH2-O 3.27Å; D388-F410 HydrophobicContact CB-CD2 3.47Å; D388-F410 VanDerWaalsContact CB-CD2 3.47Å; D388-F410 HydrophobicContact CB-CE2 3.87Å; D388-F410 PolarHBondContact OD2-N 3.41Å; Q389-F410 HydrophobicContact CB-CE2 4.49Å; V408-F410 HydrophobicContact CG1-CE1 4.25Å; V408-F410 HydrophobicContact CG1-CE2 3.94Å; V408-F410 HydrophobicContact CG1-CZ 3.76Å; F410-T474 HydrophobicContact CD1-CG2 4.15Å; F410-T474 HydrophobicContact CE1-CG2 3.86Å; F410-R558 HydrophobicContact CB-CG 4.21Å; F410-R558 VanDerWaalsContact CD2-NE 3.32Å
411	G	86	Confident	80	Confident	4 Å²	4	32.7 Å²	32.7	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	178.5	-175.4	0	0	0	0	0	113.7	H409 V473	H409-G411 PolarHBondContact CD2-N 2.97Å; H409-G411 WeakPolarHBondContact NE2-CA 3.34Å; H409-G411 PolarHBondContact O-N 3.12Å; G411-V473 PolarHBondContact N-O 3.45Å; G411-V473 PolarHBondContact O-N 2.92Å; G411-V473 VanDerWaalsContact O-N 3.08Å
412	V	85.5	Confident	81.3	Confident	48 Å²	48	32.9 Å²	32.9	29%	0.291	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	111.9	174.9	177.3	0	0	0	0	108.9	P414 R471 S553	V412-P414 WeakPolarHBondContact O-CD 3.41Å; V412-R471 CarbonylContact C-O 3.5Å; V412-R471 WeakPolarHBondContact CA-O 3.49Å; V412-R471 HydrophobicContact CG1-CG 3.64Å; V412-S553 PolarHBondContact O-OG 2.74Å
413	R	86.1	Confident	82.5	Confident	17 Å²	17	34.3 Å²	34.3	6%	0.064	20%	0.203	C	C	.	.			trans	-55	129.1	176.7	-174.2	-178.9	-78.7	142.4	-10	110	D160 L417 T418 V467 S468 T470 R471	D160-R413 IonicContact OD1-CZ 2.74Å; D160-R413 IonicContact OD1-NE 3.36Å; D160-R413 PolarHBondContact OD1-NE 3.33Å; D160-R413 IonicContact OD1-NH2 2.75Å; D160-R413 PolarHBondContact OD1-NH2 3.49Å; D160-R413 IonicContact OD2-NH2 2.8Å; D160-R413 PolarHBondContact OD2-NH2 2.89Å; R413-L417 HydrophobicContact CG-CB 3.65Å; R413-L417 HydrophobicContact CG-CD1 4.23Å; R413-T418 HydrophobicContact CB-CG2 3.93Å; R413-T418 HydrophobicContact CG-CG2 3.97Å; R413-T418 WeakPolarHBondContact O-CG2 3.42Å; R413-V467 PolarHBondContact NH1-O 3.14Å; R413-V467 VanDerWaalsContact NH1-O 3.1Å; R413-S468 PolarHBondContact NH1-O 3.48Å; R413-T470 PolarHBondContact NH1-O 3.42Å; R413-R471 PolarHBondContact N-O 3.28Å
414	P	81.8	Confident	83.3	Confident	14 Å²	14	34.7 Å²	34.7	9%	0.091	20%	0.195	C	C	.	.			trans	-57.7	143.6	178.2	-31.7	41.1	0	0	0	112	D160 W162 V412 V416 L417 T418	D160-P414 WeakPolarHBondContact O-CD 3.4Å; W162-P414 HydrophobicContact CB-CG 3.94Å; W162-P414 VanDerWaalsContact CD1-CG 3.47Å; W162-P414 HydrophobicContact CG-CB 4.32Å; W162-P414 HydrophobicContact CG-CG 3.89Å; V412-P414 WeakPolarHBondContact O-CD 3.41Å; P414-V416 PolarHBondContact O-N 3.35Å; P414-L417 PolarHBondContact O-N 3.03Å; P414-T418 PolarHBondContact O-N 2.79Å
415	A	78.4	Confident	83.7	Confident	61 Å²	61	33 Å²	33	50%	0.504	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-54.8	-32.1	-169.3	0	0	0	0	0	113.8	L417 T418 G421	A415-L417 VanDerWaalsContact C-N 3.27Å; A415-L417 PolarHBondContact O-N 3.46Å; A415-T418 WeakPolarHBondContact CA-OG1 3.47Å; A415-T418 PolarHBondContact O-N 3.2Å; A415-T418 PolarHBondContact O-OG1 3.31Å; A415-G421 PolarHBondContact O-N 3.45Å; A415-G421 VanDerWaalsContact O-N 3.1Å
416	V	77.3	Confident	83.5	Confident	32 Å²	32	36.3 Å²	36.3	19%	0.194	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-61.4	-32.2	178.1	-176.1	0	0	0	0	112.7	I147 N170 P414	I147-V416 HydrophobicContact CD1-CG1 3.75Å; I147-V416 HydrophobicContact CG1-CG1 4.34Å; N170-V416 HydrophobicContact CB-CG2 4.35Å; P414-V416 PolarHBondContact O-N 3.35Å
417	L	77.3	Confident	83.4	Confident	34 Å²	34	42.6 Å²	42.6	18%	0.178	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-91.6	-12	177.6	-61.9	-177.6	0	0	0	113.3	W162 R413 P414 A415	W162-L417 HydrophobicContact CZ2-CD2 4.31Å; W162-L417 VanDerWaalsContact NE1-CG 3.3Å; R413-L417 HydrophobicContact CG-CB 3.65Å; R413-L417 HydrophobicContact CG-CD1 4.23Å; P414-L417 PolarHBondContact O-N 3.03Å; A415-L417 VanDerWaalsContact C-N 3.27Å; A415-L417 PolarHBondContact O-N 3.46Å
418	T	81.7	Confident	83.1	Confident	6 Å²	6	45 Å²	45	4%	0.037	24%	0.237	C	C	.	.	S	Bend	trans	-84.8	176.8	178.7	67.1	0	0	0	0	111.7	R413 P414 A415 N420 G421 R471	R413-T418 HydrophobicContact CB-CG2 3.93Å; R413-T418 HydrophobicContact CG-CG2 3.97Å; R413-T418 WeakPolarHBondContact O-CG2 3.42Å; P414-T418 PolarHBondContact O-N 2.79Å; A415-T418 WeakPolarHBondContact CA-OG1 3.47Å; A415-T418 PolarHBondContact O-N 3.2Å; A415-T418 PolarHBondContact O-OG1 3.31Å; T418-N420 PolarHBondContact O-N 3.01Å; T418-N420 PolarHBondContact OG1-N 3.44Å; T418-G421 PolarHBondContact O-N 3.36Å; T418-R471 HydrophobicContact CG2-CB 4.26Å
419	Y	78.5	Confident	82.8	Confident	36 Å²	36	49.5 Å²	49.5	14%	0.141	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-28	170.1	65.4	-94.5	0	0	0	113.6	G421 N422 Y425 K464 A469	Y419-G421 VanDerWaalsContact C-N 3.31Å; Y419-G421 PolarHBondContact O-N 3.43Å; Y419-N422 PolarHBondContact O-N 3.34Å; Y419-Y425 AromaticContact CD2-CD1 3.8Å; Y419-Y425 HydrophobicContact CD2-CD1 3.8Å; Y419-Y425 HydrophobicContact CD2-CD2 4.39Å; Y419-Y425 AromaticContact CD2-CE1 3.38Å; Y419-Y425 HydrophobicContact CD2-CE1 3.38Å; Y419-Y425 AromaticContact CD2-CE2 4Å; Y419-Y425 HydrophobicContact CD2-CE2 4Å; Y419-Y425 HydrophobicContact CD2-CG 4.29Å; Y419-Y425 AromaticContact CD2-CZ 3.48Å; Y419-Y425 VanDerWaalsContact CD2-CZ 3.48Å; Y419-Y425 AromaticContact CE2-CE1 3.86Å; Y419-Y425 HydrophobicContact CE2-CE1 3.86Å; Y419-Y425 AromaticContact CE2-CZ 3.89Å; Y419-Y425 HydrophobicContact CG-CE1 4.49Å; Y419-Y425 WeakPolarHBondContact O-CB 3.13Å; Y419-Y425 WeakPolarHBondContact O-CD1 3.29Å; Y419-K464 HydrophobicContact CD1-CB 4.48Å; Y419-K464 HydrophobicContact CD1-CG 3.74Å; Y419-K464 HydrophobicContact CE1-CD 4.21Å; Y419-K464 HydrophobicContact CE1-CG 3.74Å; Y419-K464 HydrophobicContact CG-CG 4.21Å; Y419-A469 WeakPolarHBondContact CD1-O 3.33Å; Y419-A469 PolarHBondContact N-O 3.23Å; Y419-A469 VanDerWaalsContact N-O 3.17Å
420	N	77.2	Confident	82.4	Confident	71 Å²	71	56.2 Å²	56.2	38%	0.38	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.3	177	-80.6	-22.1	0	0	0	113.3	T418 Q426	T418-N420 PolarHBondContact O-N 3.01Å; T418-N420 PolarHBondContact OG1-N 3.44Å; N420-Q426 PolarHBondContact O-NE2 2.89Å
421	G	75.1	Confident	82	Confident	22 Å²	22	58.8 Å²	58.8	23%	0.227	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-19	176.1	0	0	0	0	0	113.1	A415 T418 Y419 P423	A415-G421 PolarHBondContact O-N 3.45Å; A415-G421 VanDerWaalsContact O-N 3.1Å; T418-G421 PolarHBondContact O-N 3.36Å; Y419-G421 VanDerWaalsContact C-N 3.31Å; Y419-G421 PolarHBondContact O-N 3.43Å; G421-P423 WeakPolarHBondContact O-CD 3.35Å
422	N	81	Confident	82	Confident	65 Å²	65	60.5 Å²	60.5	35%	0.348	30%	0.296	S	S	.	.			trans	-72.5	115.9	-178.3	-175.9	-10.7	0	0	0	110.8	Y419 E424 Y425 Q426	Y419-N422 PolarHBondContact O-N 3.34Å; N422-E424 PolarHBondContact O-N 3.49Å; N422-E424 VanDerWaalsContact OD1-CB 3.29Å; N422-E424 WeakPolarHBondContact OD1-CB 3.44Å; N422-E424 PolarHBondContact OD1-N 3.16Å; N422-Y425 PolarHBondContact O-N 2.91Å; N422-Q426 WeakPolarHBondContact O-CG 3.48Å; N422-Q426 PolarHBondContact O-N 2.75Å; N422-Q426 VanDerWaalsContact O-N 3.09Å
423	P	82.1	Confident	81.9	Confident	77 Å²	77	61 Å²	61	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-28.3	180	25.7	-34.8	0	0	0	112.9	G421 R427	G421-P423 WeakPolarHBondContact O-CD 3.35Å; P423-R427 VanDerWaalsContact O-CG 3.29Å; P423-R427 WeakPolarHBondContact O-CG 3.5Å; P423-R427 PolarHBondContact O-N 3.35Å; P423-R427 VanDerWaalsContact O-N 3.08Å
424	E	83.8	Confident	81.5	Confident	106 Å²	106	67.2 Å²	67.2	50%	0.495	32%	0.324	S	S	.	.	H	α-helix	trans	-67.2	-51.3	175.9	-169.7	178.7	-162.4	0	0	111.5	N422 Q426 R427 E428	N422-E424 PolarHBondContact O-N 3.49Å; N422-E424 VanDerWaalsContact OD1-CB 3.29Å; N422-E424 WeakPolarHBondContact OD1-CB 3.44Å; N422-E424 PolarHBondContact OD1-N 3.16Å; E424-Q426 VanDerWaalsContact C-N 3.29Å; E424-Q426 PolarHBondContact O-N 3.19Å; E424-R427 PolarHBondContact O-N 2.92Å; E424-R427 VanDerWaalsContact O-N 3.08Å; E424-E428 PolarHBondContact O-N 3.31Å
425	Y	86.4	Confident	81.5	Confident	19 Å²	19	66.9 Å²	66.9	8%	0.075	32%	0.322	C	S	.	.	H	α-helix	trans	-56.5	-44.8	175.2	179.1	-89	0	0	0	111.3	Y419 N422 R427 E428 Y429 L460 M463	Y419-Y425 AromaticContact CD2-CD1 3.8Å; Y419-Y425 HydrophobicContact CD2-CD1 3.8Å; Y419-Y425 HydrophobicContact CD2-CD2 4.39Å; Y419-Y425 AromaticContact CD2-CE1 3.38Å; Y419-Y425 HydrophobicContact CD2-CE1 3.38Å; Y419-Y425 AromaticContact CD2-CE2 4Å; Y419-Y425 HydrophobicContact CD2-CE2 4Å; Y419-Y425 HydrophobicContact CD2-CG 4.29Å; Y419-Y425 AromaticContact CD2-CZ 3.48Å; Y419-Y425 VanDerWaalsContact CD2-CZ 3.48Å; Y419-Y425 AromaticContact CE2-CE1 3.86Å; Y419-Y425 HydrophobicContact CE2-CE1 3.86Å; Y419-Y425 AromaticContact CE2-CZ 3.89Å; Y419-Y425 HydrophobicContact CG-CE1 4.49Å; Y419-Y425 WeakPolarHBondContact O-CB 3.13Å; Y419-Y425 WeakPolarHBondContact O-CD1 3.29Å; N422-Y425 PolarHBondContact O-N 2.91Å; Y425-R427 VanDerWaalsContact C-N 3.31Å; Y425-R427 PolarHBondContact O-N 3.45Å; Y425-E428 PolarHBondContact O-N 3.44Å; Y425-Y429 HydrophobicContact CE1-CG 4.29Å; Y425-Y429 WeakPolarHBondContact O-CB 3.41Å; Y425-Y429 PolarHBondContact O-N 3.41Å; Y425-L460 HydrophobicContact CD2-CD2 3.88Å; Y425-L460 HydrophobicContact CE2-CB 4.35Å; Y425-L460 HydrophobicContact CE2-CD2 3.62Å; Y425-M463 HydrophobicContact CD2-CB 3.89Å; Y425-M463 HydrophobicContact CD2-SD 4.2Å; Y425-M463 HydrophobicContact CE2-CB 4.43Å
426	Q	81.2	Confident	81.5	Confident	75 Å²	75	64.9 Å²	64.9	35%	0.35	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-36.2	178.3	-69	-176.8	7.1	0	0	113	N420 N422 E424 R430	N420-Q426 PolarHBondContact O-NE2 2.89Å; N422-Q426 WeakPolarHBondContact O-CG 3.48Å; N422-Q426 PolarHBondContact O-N 2.75Å; N422-Q426 VanDerWaalsContact O-N 3.09Å; E424-Q426 VanDerWaalsContact C-N 3.29Å; E424-Q426 PolarHBondContact O-N 3.19Å; Q426-R430 VanDerWaalsContact O-CB 3.32Å; Q426-R430 WeakPolarHBondContact O-CB 3.41Å; Q426-R430 VanDerWaalsContact O-CG 3.23Å; Q426-R430 WeakPolarHBondContact O-CG 3.5Å; Q426-R430 PolarHBondContact O-N 2.97Å; Q426-R430 VanDerWaalsContact O-N 3.09Å; Q426-R430 PolarHBondContact O-NE 3.29Å; Q426-R430 VanDerWaalsContact O-NE 3.16Å
427	R	85.1	Confident	81.3	Confident	151 Å²	151	71 Å²	71	57%	0.57	32%	0.323	S	S	*	.	H	α-helix	trans	-68.4	-49.3	176.3	-76.9	-175.5	-61.9	170.9	4.4	110.5	P423 E424 Y425 R430 K431	P423-R427 VanDerWaalsContact O-CG 3.29Å; P423-R427 WeakPolarHBondContact O-CG 3.5Å; P423-R427 PolarHBondContact O-N 3.35Å; P423-R427 VanDerWaalsContact O-N 3.08Å; E424-R427 PolarHBondContact O-N 2.92Å; E424-R427 VanDerWaalsContact O-N 3.08Å; Y425-R427 VanDerWaalsContact C-N 3.31Å; Y425-R427 PolarHBondContact O-N 3.45Å; R427-R430 PolarHBondContact O-N 3.48Å; R427-K431 WeakPolarHBondContact O-CG 3.21Å; R427-K431 PolarHBondContact O-N 2.88Å
428	E	85.7	Confident	81.1	Confident	52 Å²	52	70.4 Å²	70.4	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-41.3	178.4	-69.1	-53	125.3	0	0	112.2	E424 Y425 R430 K431 Y432 L460 M463	E424-E428 PolarHBondContact O-N 3.31Å; Y425-E428 PolarHBondContact O-N 3.44Å; E428-R430 VanDerWaalsContact C-N 3.35Å; E428-R430 PolarHBondContact O-N 3.05Å; E428-K431 WeakPolarHBondContact O-CB 3.46Å; E428-K431 PolarHBondContact O-N 2.63Å; E428-K431 IonicContact OE1-NZ 2.87Å; E428-K431 PolarHBondContact OE1-NZ 3.01Å; E428-Y432 WeakPolarHBondContact O-CB 3.5Å; E428-Y432 PolarHBondContact O-N 2.7Å; E428-L460 HydrophobicContact CB-CD2 4.1Å; E428-M463 HydrophobicContact CB-CE 4.03Å; E428-M463 HydrophobicContact CG-CE 4.12Å
429	Y	85.8	Confident	80.9	Confident	97 Å²	97	70.6 Å²	70.6	38%	0.38	32%	0.321	S	S	.	.	H	α-helix	trans	-63.4	-40.1	175.4	-176.6	-112.9	0	0	0	112	Y425 Y432 L433 L460	Y425-Y429 HydrophobicContact CE1-CG 4.29Å; Y425-Y429 WeakPolarHBondContact O-CB 3.41Å; Y425-Y429 PolarHBondContact O-N 3.41Å; Y429-Y432 HydrophobicContact CD2-CD1 4.4Å; Y429-Y432 HydrophobicContact CE2-CD1 4.46Å; Y429-Y432 PolarHBondContact O-N 3.1Å; Y429-L433 HydrophobicContact CD1-CD1 3.96Å; Y429-L433 HydrophobicContact CD1-CG 4.42Å; Y429-L433 HydrophobicContact CE1-CD1 3.39Å; Y429-L433 HydrophobicContact CE1-CG 4.03Å; Y429-L433 HydrophobicContact CE2-CD1 4.39Å; Y429-L433 HydrophobicContact CE2-CD2 4.32Å; Y429-L433 HydrophobicContact CE2-CG 4.17Å; Y429-L433 WeakPolarHBondContact O-CG 3.43Å; Y429-L433 PolarHBondContact O-N 2.76Å; Y429-L460 HydrophobicContact CD2-CD1 4.13Å
430	R	83	Confident	80.6	Confident	142 Å²	142	75.9 Å²	75.9	54%	0.536	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-42.8	173.7	-81.9	-177	-93.4	-176.2	-11.1	111.6	Q426 R427 E428 K434	Q426-R430 VanDerWaalsContact O-CB 3.32Å; Q426-R430 WeakPolarHBondContact O-CB 3.41Å; Q426-R430 VanDerWaalsContact O-CG 3.23Å; Q426-R430 WeakPolarHBondContact O-CG 3.5Å; Q426-R430 PolarHBondContact O-N 2.97Å; Q426-R430 VanDerWaalsContact O-N 3.09Å; Q426-R430 PolarHBondContact O-NE 3.29Å; Q426-R430 VanDerWaalsContact O-NE 3.16Å; R427-R430 PolarHBondContact O-N 3.48Å; E428-R430 VanDerWaalsContact C-N 3.35Å; E428-R430 PolarHBondContact O-N 3.05Å; R430-K434 VanDerWaalsContact O-CG 3.31Å; R430-K434 WeakPolarHBondContact O-CG 3.45Å; R430-K434 PolarHBondContact O-N 2.7Å
431	K	84	Confident	80.1	Confident	106 Å²	106	73.4 Å²	73.4	46%	0.461	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-48.9	173.7	-70	175.3	-175.5	171.8	0	110.7	R427 E428 L433 K434 F435 W456	R427-K431 WeakPolarHBondContact O-CG 3.21Å; R427-K431 PolarHBondContact O-N 2.88Å; E428-K431 WeakPolarHBondContact O-CB 3.46Å; E428-K431 PolarHBondContact O-N 2.63Å; E428-K431 IonicContact OE1-NZ 2.87Å; E428-K431 PolarHBondContact OE1-NZ 3.01Å; K431-L433 PolarHBondContact O-N 3.3Å; K431-K434 WeakPolarHBondContact O-CB 3.08Å; K431-K434 PolarHBondContact O-N 3.24Å; K431-F435 PolarHBondContact O-N 3.18Å; K431-W456 HydrophobicContact CB-CH2 4.31Å; K431-W456 HydrophobicContact CB-CZ3 4.16Å; K431-W456 WeakPolarHBondContact O-CZ3 3.47Å
432	Y	86	Confident	79.8	Confident	40 Å²	40	75.8 Å²	75.8	16%	0.157	34%	0.337	C	S	.	.	H	α-helix	trans	-57.4	-47.2	177.6	170.8	-98.4	0	0	0	113.5	E428 Y429 K434 F435 C436 M453 W456 K457 L460	E428-Y432 WeakPolarHBondContact O-CB 3.5Å; E428-Y432 PolarHBondContact O-N 2.7Å; Y429-Y432 HydrophobicContact CD2-CD1 4.4Å; Y429-Y432 HydrophobicContact CE2-CD1 4.46Å; Y429-Y432 PolarHBondContact O-N 3.1Å; Y432-K434 PolarHBondContact O-N 2.72Å; Y432-F435 PolarHBondContact O-N 3.39Å; Y432-C436 WeakPolarHBondContact CE2-SG 3.28Å; Y432-C436 WeakPolarHBondContact O-CB 3.49Å; Y432-C436 PolarHBondContact O-N 3.11Å; Y432-C436 PolarHBondContact O-SG 3.22Å; Y432-M453 HydrophobicContact CE2-CG 3.9Å; Y432-W456 HydrophobicContact CD2-CB 3.88Å; Y432-W456 HydrophobicContact CD2-CE3 4.31Å; Y432-K457 HydrophobicContact CE2-CB 3.99Å; Y432-L460 HydrophobicContact CD1-CD1 3.8Å; Y432-L460 HydrophobicContact CD2-CD1 4.11Å; Y432-L460 HydrophobicContact CG-CD1 3.55Å
433	L	81.9	Confident	79	Confident	59 Å²	59	74.7 Å²	74.7	31%	0.309	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-40.1	176.9	-74.5	-178.6	0	0	0	112.4	Y429 K431 R437	Y429-L433 HydrophobicContact CD1-CD1 3.96Å; Y429-L433 HydrophobicContact CD1-CG 4.42Å; Y429-L433 HydrophobicContact CE1-CD1 3.39Å; Y429-L433 HydrophobicContact CE1-CG 4.03Å; Y429-L433 HydrophobicContact CE2-CD1 4.39Å; Y429-L433 HydrophobicContact CE2-CD2 4.32Å; Y429-L433 HydrophobicContact CE2-CG 4.17Å; Y429-L433 WeakPolarHBondContact O-CG 3.43Å; Y429-L433 PolarHBondContact O-N 2.76Å; K431-L433 PolarHBondContact O-N 3.3Å; L433-R437 WeakPolarHBondContact O-CG 3.18Å; L433-R437 PolarHBondContact O-N 3.1Å; L433-R437 VanDerWaalsContact O-N 3.14Å
434	K	77.9	Confident	78.4	Confident	146 Å²	146	76.1 Å²	76.1	64%	0.635	34%	0.341	S	S	*	.	H	α-helix	trans	-60.4	-47.2	174.3	-75.1	176.9	179.1	-175.1	0	110.4	R430 K431 Y432 R437 L438	R430-K434 VanDerWaalsContact O-CG 3.31Å; R430-K434 WeakPolarHBondContact O-CG 3.45Å; R430-K434 PolarHBondContact O-N 2.7Å; K431-K434 WeakPolarHBondContact O-CB 3.08Å; K431-K434 PolarHBondContact O-N 3.24Å; Y432-K434 PolarHBondContact O-N 2.72Å; K434-R437 WeakPolarHBondContact O-CB 3.12Å; K434-R437 PolarHBondContact O-N 2.78Å; K434-L438 WeakPolarHBondContact O-CG 3.48Å; K434-L438 PolarHBondContact O-N 3.37Å
435	F	81.4	Confident	78.1	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.035	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-42.6	179.6	-175	-112.7	0	0	0	113.4	K431 Y432 R437 L438 I439 K452 M453 W456 P915	K431-F435 PolarHBondContact O-N 3.18Å; Y432-F435 PolarHBondContact O-N 3.39Å; F435-R437 VanDerWaalsContact C-N 3.26Å; F435-R437 PolarHBondContact O-N 3.4Å; F435-L438 WeakPolarHBondContact O-CB 3.39Å; F435-L438 PolarHBondContact O-N 3.14Å; F435-L438 VanDerWaalsContact O-N 3.13Å; F435-I439 HydrophobicContact CD1-CD1 3.64Å; F435-I439 HydrophobicContact CD1-CG1 4.5Å; F435-I439 HydrophobicContact CD2-CD1 4.48Å; F435-I439 HydrophobicContact CE1-CD1 3.18Å; F435-I439 HydrophobicContact CE1-CG1 4.26Å; F435-I439 HydrophobicContact CE2-CD1 4.1Å; F435-I439 HydrophobicContact CE2-CG1 4.43Å; F435-I439 HydrophobicContact CG-CD1 4.28Å; F435-I439 HydrophobicContact CZ-CD1 3.45Å; F435-I439 VanDerWaalsContact CZ-CD1 3.45Å; F435-I439 HydrophobicContact CZ-CG1 4.22Å; F435-I439 WeakPolarHBondContact O-CG1 3.45Å; F435-I439 PolarHBondContact O-N 2.79Å; F435-K452 HydrophobicContact CE1-CB 3.97Å; F435-K452 HydrophobicContact CZ-CB 3.94Å; F435-K452 HydrophobicContact CZ-CD 4.38Å; F435-M453 HydrophobicContact CE1-CB 4.16Å; F435-W456 HydrophobicContact CB-CE3 4Å; F435-W456 HydrophobicContact CB-CH2 4.04Å; F435-W456 HydrophobicContact CB-CZ3 3.29Å; F435-W456 HydrophobicContact CD1-CE3 4Å; F435-W456 AromaticContact CD1-CZ3 3.98Å; F435-W456 HydrophobicContact CD1-CZ3 3.98Å; F435-W456 HydrophobicContact CD2-CH2 4.46Å; F435-W456 HydrophobicContact CD2-CZ3 4.4Å; F435-W456 HydrophobicContact CG-CE3 4.18Å; F435-W456 HydrophobicContact CG-CH2 4.17Å; F435-W456 AromaticContact CG-CZ3 3.67Å; F435-W456 HydrophobicContact CG-CZ3 3.67Å; F435-P915 HydrophobicContact CD2-CB 3.83Å; F435-P915 HydrophobicContact CD2-CG 3.72Å; F435-P915 HydrophobicContact CE2-CB 4.14Å; F435-P915 HydrophobicContact CE2-CG 3.79Å
436	C	80.4	Confident	77.8	Confident	18 Å²	18	75.6 Å²	75.6	12%	0.122	35%	0.348	C	S	.	.	H	α-helix	trans	-57.3	-41.4	173.9	-70.9	0	0	0	0	111.8	Y432 I439 Q440	Y432-C436 WeakPolarHBondContact CE2-SG 3.28Å; Y432-C436 WeakPolarHBondContact O-CB 3.49Å; Y432-C436 PolarHBondContact O-N 3.11Å; Y432-C436 PolarHBondContact O-SG 3.22Å; C436-I439 PolarHBondContact O-N 3.2Å; C436-Q440 WeakPolarHBondContact O-CG 2.96Å; C436-Q440 PolarHBondContact O-N 3.17Å
437	R	72.4	Confident	77.9	Confident	160 Å²	160	76.6 Å²	76.6	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-63.9	-45	175.5	-71.7	172.3	-176.8	-176.2	0.3	111.4	L433 K434 F435 I439 Q440 L441	L433-R437 WeakPolarHBondContact O-CG 3.18Å; L433-R437 PolarHBondContact O-N 3.1Å; L433-R437 VanDerWaalsContact O-N 3.14Å; K434-R437 WeakPolarHBondContact O-CB 3.12Å; K434-R437 PolarHBondContact O-N 2.78Å; F435-R437 VanDerWaalsContact C-N 3.26Å; F435-R437 PolarHBondContact O-N 3.4Å; R437-I439 VanDerWaalsContact C-N 3.33Å; R437-I439 PolarHBondContact O-N 2.84Å; R437-Q440 PolarHBondContact O-N 2.95Å; R437-L441 VanDerWaalsContact O-CD1 3.3Å; R437-L441 WeakPolarHBondContact O-CD1 3.49Å; R437-L441 WeakPolarHBondContact O-CG 3.23Å; R437-L441 PolarHBondContact O-N 3.27Å; R437-L441 VanDerWaalsContact O-N 3.14Å
438	L	73.5	Confident	77.9	Confident	23 Å²	23	75.7 Å²	75.7	12%	0.12	36%	0.363	C	S	.	.	H	α-helix	trans	-58.1	-44.5	176.7	-67.3	172.2	0	0	0	111.8	K434 F435 Q440 L441 K442 A911 R913 P915	K434-L438 WeakPolarHBondContact O-CG 3.48Å; K434-L438 PolarHBondContact O-N 3.37Å; F435-L438 WeakPolarHBondContact O-CB 3.39Å; F435-L438 PolarHBondContact O-N 3.14Å; F435-L438 VanDerWaalsContact O-N 3.13Å; L438-Q440 PolarHBondContact O-N 2.97Å; L438-L441 WeakPolarHBondContact O-CB 3.21Å; L438-L441 PolarHBondContact O-N 3.13Å; L438-L441 VanDerWaalsContact O-N 3.12Å; L438-K442 PolarHBondContact O-N 2.75Å; L438-A911 WeakPolarHBondContact CD2-O 3.47Å; L438-R913 VanDerWaalsContact CD1-O 3.26Å; L438-R913 WeakPolarHBondContact CD1-O 3.07Å; L438-R913 HydrophobicContact CD2-CB 4.33Å; L438-R913 VanDerWaalsContact CD2-O 3.31Å; L438-R913 WeakPolarHBondContact CD2-O 3.3Å; L438-P915 HydrophobicContact CD1-CB 4.45Å; L438-P915 HydrophobicContact CD1-CG 3.93Å
439	I	77.4	Confident	77.8	Confident	9 Å²	9	73.8 Å²	73.8	5%	0.046	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-39.4	179.1	-69.8	176.8	0	0	0	111.8	F435 C436 R437 L441 K442 T445 D449 M453	F435-I439 HydrophobicContact CD1-CD1 3.64Å; F435-I439 HydrophobicContact CD1-CG1 4.5Å; F435-I439 HydrophobicContact CD2-CD1 4.48Å; F435-I439 HydrophobicContact CE1-CD1 3.18Å; F435-I439 HydrophobicContact CE1-CG1 4.26Å; F435-I439 HydrophobicContact CE2-CD1 4.1Å; F435-I439 HydrophobicContact CE2-CG1 4.43Å; F435-I439 HydrophobicContact CG-CD1 4.28Å; F435-I439 HydrophobicContact CZ-CD1 3.45Å; F435-I439 VanDerWaalsContact CZ-CD1 3.45Å; F435-I439 HydrophobicContact CZ-CG1 4.22Å; F435-I439 WeakPolarHBondContact O-CG1 3.45Å; F435-I439 PolarHBondContact O-N 2.79Å; C436-I439 PolarHBondContact O-N 3.2Å; R437-I439 VanDerWaalsContact C-N 3.33Å; R437-I439 PolarHBondContact O-N 2.84Å; I439-L441 PolarHBondContact O-N 2.74Å; I439-K442 PolarHBondContact O-N 3.42Å; I439-T445 HydrophobicContact CG2-CG2 3.41Å; I439-T445 VanDerWaalsContact CG2-CG2 3.41Å; I439-D449 HydrophobicContact CD1-CB 3.74Å; I439-D449 HydrophobicContact CG1-CB 4.16Å; I439-M453 HydrophobicContact CB-CE 3.96Å; I439-M453 HydrophobicContact CD1-CB 4.44Å; I439-M453 HydrophobicContact CD1-CE 3.33Å; I439-M453 HydrophobicContact CG1-CE 4.21Å; I439-M453 HydrophobicContact CG2-CE 3.75Å
440	Q	72	Confident	77.8	Confident	147 Å²	147	75.1 Å²	75.1	69%	0.687	36%	0.362	S	S	*	.	H	α-helix	trans	-62.9	-27.4	174.6	-74.4	175.3	-6	0	0	112.6	C436 R437 L438	C436-Q440 WeakPolarHBondContact O-CG 2.96Å; C436-Q440 PolarHBondContact O-N 3.17Å; R437-Q440 PolarHBondContact O-N 2.95Å; L438-Q440 PolarHBondContact O-N 2.97Å
441	L	66.3	Low	78.1	Confident	20 Å²	20	73.6 Å²	73.6	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-85.1	-28.2	179	-64.8	161.6	0	0	0	111.9	R437 L438 I439 A911 P978 I980	R437-L441 VanDerWaalsContact O-CD1 3.3Å; R437-L441 WeakPolarHBondContact O-CD1 3.49Å; R437-L441 WeakPolarHBondContact O-CG 3.23Å; R437-L441 PolarHBondContact O-N 3.27Å; R437-L441 VanDerWaalsContact O-N 3.14Å; L438-L441 WeakPolarHBondContact O-CB 3.21Å; L438-L441 PolarHBondContact O-N 3.13Å; L438-L441 VanDerWaalsContact O-N 3.12Å; I439-L441 PolarHBondContact O-N 2.74Å; L441-A911 HydrophobicContact CD1-CB 3.76Å; L441-A911 WeakPolarHBondContact CD1-O 3.31Å; L441-A911 HydrophobicContact CD2-CB 4.48Å; L441-P978 HydrophobicContact CB-CB 3.94Å; L441-P978 HydrophobicContact CB-CG 4.16Å; L441-P978 HydrophobicContact CD2-CB 3.48Å; L441-P978 VanDerWaalsContact CD2-CB 3.48Å; L441-P978 HydrophobicContact CD2-CG 4.01Å; L441-P978 HydrophobicContact CG-CB 4.3Å; L441-P978 VanDerWaalsContact O-CA 3.3Å; L441-P978 WeakPolarHBondContact O-CA 3.49Å; L441-I980 HydrophobicContact CD2-CD1 3.71Å
442	K	69.4	Low	78.2	Confident	71 Å²	71	73.7 Å²	73.7	31%	0.309	37%	0.365	S	S	.	.	S	Bend	trans	-59.9	142.8	176.5	-79.5	-176.9	174.8	-178.4	0	111.9	L438 I439 T444 D449	L438-K442 PolarHBondContact O-N 2.75Å; I439-K442 PolarHBondContact O-N 3.42Å; K442-T444 PolarHBondContact O-N 2.99Å; K442-D449 WeakPolarHBondContact CD-OD2 3.34Å; K442-D449 IonicContact NZ-OD1 3.77Å; K442-D449 PolarHBondContact NZ-OD1 3.18Å; K442-D449 IonicContact NZ-OD2 2.78Å; K442-D449 PolarHBondContact NZ-OD2 3.44Å
443	P	64.2	Low	78.2	Confident	43 Å²	43	74.1 Å²	74.1	28%	0.279	37%	0.369	S	S	.	.	S	Bend	trans	-62.1	-40.7	178.5	22.4	-32.8	0	0	0	113.1	K979	P443-K979 WeakPolarHBondContact O-CE 3.43Å; P443-K979 PolarHBondContact O-NZ 3.38Å
444	T	69.3	Low	78.5	Confident	106 Å²	106	74.1 Å²	74.1	65%	0.65	38%	0.377	S	S	*	.	S	Bend	trans	-134.5	135.2	178.4	48.4	0	0	0	0	109.5	K442	K442-T444 PolarHBondContact O-N 2.99Å
445	T	76.2	Confident	79.1	Confident	64 Å²	64	72.5 Å²	72.5	39%	0.393	37%	0.372	S	S	.	.			trans	-86.5	118.4	176.6	53.9	0	0	0	0	109.1	I439 K450	I439-T445 HydrophobicContact CG2-CG2 3.41Å; I439-T445 VanDerWaalsContact CG2-CG2 3.41Å; T445-K450 WeakPolarHBondContact OG1-CE 3.36Å
446	T	80.9	Confident	79.4	Confident	51 Å²	51	75 Å²	75	31%	0.313	38%	0.381	S	S	.	.			trans	-72.7	155.1	178.1	64.9	0	0	0	0	110.2	E448 D449 K450	T446-E448 PolarHBondContact O-N 3.36Å; T446-D449 PolarHBondContact N-OD2 2.9Å; T446-D449 WeakPolarHBondContact O-CB 3.24Å; T446-D449 PolarHBondContact O-N 2.66Å; T446-D449 WeakPolarHBondContact OG1-CB 3.46Å; T446-D449 PolarHBondContact OG1-N 3.25Å; T446-D449 VanDerWaalsContact OG1-N 3.09Å; T446-D449 PolarHBondContact OG1-OD2 3.12Å; T446-D449 VanDerWaalsContact OG1-OD2 3.14Å; T446-K450 PolarHBondContact O-N 3.32Å
447	P	84.3	Confident	79.9	Confident	95 Å²	95	80.5 Å²	80.5	62%	0.617	40%	0.403	S	S	*	.	H	α-helix	trans	-57.6	-35.3	172.4	20.9	-31.1	0	0	0	111.9	K450 N451	P447-K450 PolarHBondContact O-N 3.2Å; P447-N451 VanDerWaalsContact O-CG 3.23Å; P447-N451 PolarHBondContact O-N 3.18Å; P447-N451 PolarHBondContact O-OD1 2.96Å
448	E	84.6	Confident	80.8	Confident	133 Å²	133	77 Å²	77	62%	0.621	39%	0.394	S	S	*	.	H	α-helix	trans	-62	-43.3	173.9	-63.9	174.1	-170.5	0	0	112.9	T446 K450 N451 K452	T446-E448 PolarHBondContact O-N 3.36Å; E448-K450 VanDerWaalsContact C-N 3.29Å; E448-K450 PolarHBondContact O-N 3.03Å; E448-N451 PolarHBondContact O-N 3.39Å; E448-K452 WeakPolarHBondContact O-CG 3.49Å; E448-K452 PolarHBondContact O-N 3.31Å
449	D	83.6	Confident	81.5	Confident	12 Å²	12	79.3 Å²	79.3	6%	0.064	41%	0.406	C	S	.	.	H	α-helix	trans	-59.8	-42.4	176.5	-76.1	-29.9	0	0	0	110.7	I439 K442 T446 M453	I439-D449 HydrophobicContact CD1-CB 3.74Å; I439-D449 HydrophobicContact CG1-CB 4.16Å; K442-D449 WeakPolarHBondContact CD-OD2 3.34Å; K442-D449 IonicContact NZ-OD1 3.77Å; K442-D449 PolarHBondContact NZ-OD1 3.18Å; K442-D449 IonicContact NZ-OD2 2.78Å; K442-D449 PolarHBondContact NZ-OD2 3.44Å; T446-D449 PolarHBondContact N-OD2 2.9Å; T446-D449 WeakPolarHBondContact O-CB 3.24Å; T446-D449 PolarHBondContact O-N 2.66Å; T446-D449 WeakPolarHBondContact OG1-CB 3.46Å; T446-D449 PolarHBondContact OG1-N 3.25Å; T446-D449 VanDerWaalsContact OG1-N 3.09Å; T446-D449 PolarHBondContact OG1-OD2 3.12Å; T446-D449 VanDerWaalsContact OG1-OD2 3.14Å; D449-M453 WeakPolarHBondContact O-CB 3.43Å; D449-M453 PolarHBondContact O-N 3.17Å
450	K	85.3	Confident	82.1	Confident	124 Å²	124	79.5 Å²	79.5	54%	0.539	41%	0.407	S	S	.	.	H	α-helix	trans	-65.8	-42.9	176.9	-68.9	-179.2	-178.3	176.2	0	111.6	T445 T446 P447 E448 M453 A454	T445-K450 WeakPolarHBondContact OG1-CE 3.36Å; T446-K450 PolarHBondContact O-N 3.32Å; P447-K450 PolarHBondContact O-N 3.2Å; E448-K450 VanDerWaalsContact C-N 3.29Å; E448-K450 PolarHBondContact O-N 3.03Å; K450-M453 PolarHBondContact O-N 2.91Å; K450-A454 WeakPolarHBondContact O-CB 3.41Å; K450-A454 PolarHBondContact O-N 3.3Å
451	N	88.6	Confident	82.8	Confident	110 Å²	110	77.4 Å²	77.4	59%	0.588	40%	0.396	S	S	*	.	H	α-helix	trans	-63.8	-47.3	178.5	-70.4	-8.8	0	0	0	111.3	P447 E448 M453 A454 E455	P447-N451 VanDerWaalsContact O-CG 3.23Å; P447-N451 PolarHBondContact O-N 3.18Å; P447-N451 PolarHBondContact O-OD1 2.96Å; E448-N451 PolarHBondContact O-N 3.39Å; N451-M453 VanDerWaalsContact C-N 3.33Å; N451-M453 PolarHBondContact O-N 3.4Å; N451-A454 PolarHBondContact O-N 2.89Å; N451-E455 WeakPolarHBondContact O-CB 3.4Å; N451-E455 PolarHBondContact O-N 3.35Å
452	K	86.4	Confident	83.8	Confident	108 Å²	108	80.5 Å²	80.5	47%	0.47	41%	0.412	S	S	.	.	H	α-helix	trans	-61	-40.8	175.2	-73.2	-178.2	-179.1	176.8	0	112.3	F435 E448 E455 W456	F435-K452 HydrophobicContact CE1-CB 3.97Å; F435-K452 HydrophobicContact CZ-CB 3.94Å; F435-K452 HydrophobicContact CZ-CD 4.38Å; E448-K452 WeakPolarHBondContact O-CG 3.49Å; E448-K452 PolarHBondContact O-N 3.31Å; K452-E455 PolarHBondContact O-N 3.4Å; K452-W456 WeakPolarHBondContact O-CB 3.35Å; K452-W456 PolarHBondContact O-N 3.4Å
453	M	85.6	Confident	84.6	Confident	49 Å²	49	78.9 Å²	78.9	24%	0.241	41%	0.406	C	S	.	.	H	α-helix	trans	-64.5	-41.5	176.5	-170.9	-170.5	-57.7	0	0	111.5	Y432 F435 I439 D449 K450 N451 K457	Y432-M453 HydrophobicContact CE2-CG 3.9Å; F435-M453 HydrophobicContact CE1-CB 4.16Å; I439-M453 HydrophobicContact CB-CE 3.96Å; I439-M453 HydrophobicContact CD1-CB 4.44Å; I439-M453 HydrophobicContact CD1-CE 3.33Å; I439-M453 HydrophobicContact CG1-CE 4.21Å; I439-M453 HydrophobicContact CG2-CE 3.75Å; D449-M453 WeakPolarHBondContact O-CB 3.43Å; D449-M453 PolarHBondContact O-N 3.17Å; K450-M453 PolarHBondContact O-N 2.91Å; N451-M453 VanDerWaalsContact C-N 3.33Å; N451-M453 PolarHBondContact O-N 3.4Å; M453-K457 WeakPolarHBondContact O-CB 3.43Å; M453-K457 PolarHBondContact O-N 3.16Å
454	A	89.5	Confident	85.5	Confident	59 Å²	59	81.1 Å²	81.1	49%	0.488	41%	0.411	S	S	.	.	H	α-helix	trans	-63.9	-45.4	176.2	0	0	0	0	0	111.3	K450 N451 K457 E458	K450-A454 WeakPolarHBondContact O-CB 3.41Å; K450-A454 PolarHBondContact O-N 3.3Å; N451-A454 PolarHBondContact O-N 2.89Å; A454-K457 PolarHBondContact O-N 3.38Å; A454-E458 WeakPolarHBondContact O-CB 3.37Å; A454-E458 PolarHBondContact O-N 3.31Å
455	E	90.3	Very high	86.1	Confident	112 Å²	112	80.5 Å²	80.5	52%	0.523	40%	0.404	S	S	.	.	H	α-helix	trans	-59.3	-50.4	176.5	-173.5	-170.9	170.5	0	0	111.8	N451 K452 K457 E458 N459	N451-E455 WeakPolarHBondContact O-CB 3.4Å; N451-E455 PolarHBondContact O-N 3.35Å; K452-E455 PolarHBondContact O-N 3.4Å; E455-K457 VanDerWaalsContact C-N 3.33Å; E455-K457 PolarHBondContact O-N 3.1Å; E455-E458 PolarHBondContact O-N 3.04Å; E455-N459 PolarHBondContact O-N 3.22Å
456	W	88.1	Confident	86.4	Confident	61 Å²	61	83.3 Å²	83.3	23%	0.231	41%	0.41	C	S	.	.	H	α-helix	trans	-63.9	-39.2	178	-74.5	9.8	0	0	0	112.6	K431 Y432 F435 K452 E458 N459 L460	K431-W456 HydrophobicContact CB-CH2 4.31Å; K431-W456 HydrophobicContact CB-CZ3 4.16Å; K431-W456 WeakPolarHBondContact O-CZ3 3.47Å; Y432-W456 HydrophobicContact CD2-CB 3.88Å; Y432-W456 HydrophobicContact CD2-CE3 4.31Å; F435-W456 HydrophobicContact CB-CE3 4Å; F435-W456 HydrophobicContact CB-CH2 4.04Å; F435-W456 HydrophobicContact CB-CZ3 3.29Å; F435-W456 HydrophobicContact CD1-CE3 4Å; F435-W456 AromaticContact CD1-CZ3 3.98Å; F435-W456 HydrophobicContact CD1-CZ3 3.98Å; F435-W456 HydrophobicContact CD2-CH2 4.46Å; F435-W456 HydrophobicContact CD2-CZ3 4.4Å; F435-W456 HydrophobicContact CG-CE3 4.18Å; F435-W456 HydrophobicContact CG-CH2 4.17Å; F435-W456 AromaticContact CG-CZ3 3.67Å; F435-W456 HydrophobicContact CG-CZ3 3.67Å; K452-W456 WeakPolarHBondContact O-CB 3.35Å; K452-W456 PolarHBondContact O-N 3.4Å; W456-E458 VanDerWaalsContact C-N 3.31Å; W456-N459 PolarHBondContact O-N 3.01Å; W456-L460 WeakPolarHBondContact O-CB 3.32Å; W456-L460 VanDerWaalsContact O-CG 3.3Å; W456-L460 WeakPolarHBondContact O-CG 3.39Å; W456-L460 PolarHBondContact O-N 3.33Å
457	K	89.4	Confident	85.8	Confident	133 Å²	133	86.5 Å²	86.5	58%	0.578	43%	0.43	S	S	*	.	H	α-helix	trans	-63.9	-39.6	175.6	-174.4	-179.1	177	-171.9	0	110.9	Y432 M453 A454 E455 K461	Y432-K457 HydrophobicContact CE2-CB 3.99Å; M453-K457 WeakPolarHBondContact O-CB 3.43Å; M453-K457 PolarHBondContact O-N 3.16Å; A454-K457 PolarHBondContact O-N 3.38Å; E455-K457 VanDerWaalsContact C-N 3.33Å; E455-K457 PolarHBondContact O-N 3.1Å; K457-K461 WeakPolarHBondContact O-CB 3.37Å; K457-K461 PolarHBondContact O-N 2.71Å
458	E	91.4	Very high	85.2	Confident	88 Å²	88	86.2 Å²	86.2	41%	0.411	43%	0.43	S	S	.	.	H	α-helix	trans	-68.1	-44.2	176.1	-168.2	58.3	-155.6	0	0	111.2	A454 E455 W456 L460 K461 I462	A454-E458 WeakPolarHBondContact O-CB 3.37Å; A454-E458 PolarHBondContact O-N 3.31Å; E455-E458 PolarHBondContact O-N 3.04Å; W456-E458 VanDerWaalsContact C-N 3.31Å; E458-L460 VanDerWaalsContact C-N 3.34Å; E458-L460 PolarHBondContact O-N 2.96Å; E458-K461 CarbonylContact O-C 3.59Å; E458-K461 WeakPolarHBondContact O-CA 3.33Å; E458-K461 WeakPolarHBondContact O-CB 3.28Å; E458-K461 PolarHBondContact O-N 2.65Å; E458-I462 HydrophobicContact CG-CD1 4.18Å; E458-I462 WeakPolarHBondContact O-CG1 3.43Å; E458-I462 PolarHBondContact O-N 3.12Å
459	N	89.3	Confident	84.6	Confident	70 Å²	70	80.6 Å²	80.6	37%	0.374	41%	0.406	S	S	.	.	H	α-helix	trans	-59.4	-42.7	174.7	-71.9	-20.7	0	0	0	112.3	E455 W456 K461 I462 M463	E455-N459 PolarHBondContact O-N 3.22Å; W456-N459 PolarHBondContact O-N 3.01Å; N459-K461 VanDerWaalsContact C-N 3.3Å; N459-K461 PolarHBondContact O-N 3.27Å; N459-I462 PolarHBondContact O-N 3.38Å; N459-M463 HydrophobicContact CB-CE 4.43Å; N459-M463 WeakPolarHBondContact O-CE 3.4Å; N459-M463 WeakPolarHBondContact O-CG 3.45Å; N459-M463 PolarHBondContact O-N 3.19Å
460	L	88.8	Confident	84.3	Confident	13 Å²	13	82.1 Å²	82.1	7%	0.068	42%	0.416	C	S	.	.	H	α-helix	trans	-64.7	-34.8	173.9	-74.6	168.8	0	0	0	112.4	Y425 E428 Y429 Y432 W456 E458 M463 K464	Y425-L460 HydrophobicContact CD2-CD2 3.88Å; Y425-L460 HydrophobicContact CE2-CB 4.35Å; Y425-L460 HydrophobicContact CE2-CD2 3.62Å; E428-L460 HydrophobicContact CB-CD2 4.1Å; Y429-L460 HydrophobicContact CD2-CD1 4.13Å; Y432-L460 HydrophobicContact CD1-CD1 3.8Å; Y432-L460 HydrophobicContact CD2-CD1 4.11Å; Y432-L460 HydrophobicContact CG-CD1 3.55Å; W456-L460 WeakPolarHBondContact O-CB 3.32Å; W456-L460 VanDerWaalsContact O-CG 3.3Å; W456-L460 WeakPolarHBondContact O-CG 3.39Å; W456-L460 PolarHBondContact O-N 3.33Å; E458-L460 VanDerWaalsContact C-N 3.34Å; E458-L460 PolarHBondContact O-N 2.96Å; L460-M463 HydrophobicContact CD2-CE 4.06Å; L460-K464 VanDerWaalsContact O-CB 3.3Å; L460-K464 WeakPolarHBondContact O-CB 3.44Å; L460-K464 PolarHBondContact O-N 2.9Å; L460-K464 VanDerWaalsContact O-N 3.08Å
461	K	88.1	Confident	84	Confident	104 Å²	104	81.9 Å²	81.9	45%	0.452	41%	0.411	S	S	.	.	H	α-helix	trans	-68.6	-47.3	175.1	-175.4	-174.2	169.7	-153.7	0	110.8	K457 E458 N459 M463 K464 D465	K457-K461 WeakPolarHBondContact O-CB 3.37Å; K457-K461 PolarHBondContact O-N 2.71Å; E458-K461 CarbonylContact O-C 3.59Å; E458-K461 WeakPolarHBondContact O-CA 3.33Å; E458-K461 WeakPolarHBondContact O-CB 3.28Å; E458-K461 PolarHBondContact O-N 2.65Å; N459-K461 VanDerWaalsContact C-N 3.3Å; N459-K461 PolarHBondContact O-N 3.27Å; K461-M463 VanDerWaalsContact C-N 3.32Å; K461-M463 PolarHBondContact O-N 3.31Å; K461-K464 CarbonylContact O-C 3.54Å; K461-K464 WeakPolarHBondContact O-CA 3.39Å; K461-K464 WeakPolarHBondContact O-CB 3.26Å; K461-K464 PolarHBondContact O-N 3.26Å; K461-D465 WeakPolarHBondContact CE-OD2 2.98Å; K461-D465 WeakPolarHBondContact CG-OD2 3.04Å; K461-D465 WeakPolarHBondContact O-CB 3.13Å; K461-D465 VanDerWaalsContact O-CG 3.29Å; K461-D465 PolarHBondContact O-N 3.41Å
462	I	87.7	Confident	83.8	Confident	85 Å²	85	82.4 Å²	82.4	44%	0.436	41%	0.414	S	S	.	.	H	α-helix	trans	-55.4	-47.1	174.1	-67.1	165.4	0	0	0	110.5	E458 N459 K464 D465 K466	E458-I462 HydrophobicContact CG-CD1 4.18Å; E458-I462 WeakPolarHBondContact O-CG1 3.43Å; E458-I462 PolarHBondContact O-N 3.12Å; N459-I462 PolarHBondContact O-N 3.38Å; I462-K464 VanDerWaalsContact C-N 3.27Å; I462-K464 PolarHBondContact O-N 3.13Å; I462-D465 PolarHBondContact O-N 3.33Å; I462-K466 WeakPolarHBondContact O-CG 3.43Å; I462-K466 PolarHBondContact O-N 2.74Å
463	M	84.4	Confident	83.7	Confident	37 Å²	37	78 Å²	78	18%	0.182	40%	0.396	C	S	.	.	H	α-helix	trans	-61.5	-34.6	176.5	-76.5	-173.6	-99.8	0	0	113.2	Y425 E428 N459 L460 K461	Y425-M463 HydrophobicContact CD2-CB 3.89Å; Y425-M463 HydrophobicContact CD2-SD 4.2Å; Y425-M463 HydrophobicContact CE2-CB 4.43Å; E428-M463 HydrophobicContact CB-CE 4.03Å; E428-M463 HydrophobicContact CG-CE 4.12Å; N459-M463 HydrophobicContact CB-CE 4.43Å; N459-M463 WeakPolarHBondContact O-CE 3.4Å; N459-M463 WeakPolarHBondContact O-CG 3.45Å; N459-M463 PolarHBondContact O-N 3.19Å; L460-M463 HydrophobicContact CD2-CE 4.06Å; K461-M463 VanDerWaalsContact C-N 3.32Å; K461-M463 PolarHBondContact O-N 3.31Å
464	K	83.2	Confident	83.9	Confident	90 Å²	90	79.2 Å²	79.2	39%	0.391	41%	0.407	S	S	.	.	H	α-helix	trans	-77.6	-36.3	-180	-174.9	-177.9	176.3	-162.3	0	112.7	Y419 L460 K461 I462 K466	Y419-K464 HydrophobicContact CD1-CB 4.48Å; Y419-K464 HydrophobicContact CD1-CG 3.74Å; Y419-K464 HydrophobicContact CE1-CD 4.21Å; Y419-K464 HydrophobicContact CE1-CG 3.74Å; Y419-K464 HydrophobicContact CG-CG 4.21Å; L460-K464 VanDerWaalsContact O-CB 3.3Å; L460-K464 WeakPolarHBondContact O-CB 3.44Å; L460-K464 PolarHBondContact O-N 2.9Å; L460-K464 VanDerWaalsContact O-N 3.08Å; K461-K464 CarbonylContact O-C 3.54Å; K461-K464 WeakPolarHBondContact O-CA 3.39Å; K461-K464 WeakPolarHBondContact O-CB 3.26Å; K461-K464 PolarHBondContact O-N 3.26Å; I462-K464 VanDerWaalsContact C-N 3.27Å; I462-K464 PolarHBondContact O-N 3.13Å; K464-K466 VanDerWaalsContact C-N 3.34Å
465	D	82.3	Confident	83.8	Confident	92 Å²	92	76.4 Å²	76.4	49%	0.492	38%	0.383	S	S	.	.	H	α-helix	trans	-83.3	-10.5	-175.4	-67.6	-8.7	0	0	0	112.4	K461 I462 V467	K461-D465 WeakPolarHBondContact CE-OD2 2.98Å; K461-D465 WeakPolarHBondContact CG-OD2 3.04Å; K461-D465 WeakPolarHBondContact O-CB 3.13Å; K461-D465 VanDerWaalsContact O-CG 3.29Å; K461-D465 PolarHBondContact O-N 3.41Å; I462-D465 PolarHBondContact O-N 3.33Å; D465-V467 PolarHBondContact O-N 3.49Å; D465-V467 VanDerWaalsContact O-N 3.14Å
466	K	82.1	Confident	83.8	Confident	124 Å²	124	76.2 Å²	76.2	54%	0.539	38%	0.383	S	S	.	.	S	Bend	trans	-51.9	122.1	166.9	-78.7	-178.7	-177.5	-176.2	0	109.3	I462 K464 S468 A469 T470	I462-K466 WeakPolarHBondContact O-CG 3.43Å; I462-K466 PolarHBondContact O-N 2.74Å; K464-K466 VanDerWaalsContact C-N 3.34Å; K466-S468 PolarHBondContact O-N 3.29Å; K466-S468 VanDerWaalsContact O-N 3.11Å; K466-A469 HydrophobicContact CB-CB 4.25Å; K466-A469 WeakPolarHBondContact O-CA 3.42Å; K466-A469 WeakPolarHBondContact O-CB 2.85Å; K466-A469 PolarHBondContact O-N 2.78Å; K466-T470 PolarHBondContact O-N 3.35Å
467	V	69.9	Low	83.9	Confident	118 Å²	118	74.3 Å²	74.3	72%	0.715	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-51.7	-40.6	-174.7	179.3	0	0	0	0	112.1	R413 D465 A469 T470	R413-V467 PolarHBondContact NH1-O 3.14Å; R413-V467 VanDerWaalsContact NH1-O 3.1Å; D465-V467 PolarHBondContact O-N 3.49Å; D465-V467 VanDerWaalsContact O-N 3.14Å; V467-A469 PolarHBondContact O-N 3.29Å; V467-T470 PolarHBondContact O-N 3.09Å; V467-T470 PolarHBondContact O-OG1 3.35Å
468	S	71.8	Confident	83.8	Confident	89 Å²	89	69.2 Å²	69.2	62%	0.622	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-67.1	-14.8	177.2	58.3	0	0	0	0	115.1	R413 K466	R413-S468 PolarHBondContact NH1-O 3.48Å; K466-S468 PolarHBondContact O-N 3.29Å; K466-S468 VanDerWaalsContact O-N 3.11Å
469	A	70.3	Confident	83.7	Confident	14 Å²	14	65.1 Å²	65.1	12%	0.116	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-109.1	-9.8	-178.5	0	0	0	0	0	113.2	Y419 K466 V467	Y419-A469 WeakPolarHBondContact CD1-O 3.33Å; Y419-A469 PolarHBondContact N-O 3.23Å; Y419-A469 VanDerWaalsContact N-O 3.17Å; K466-A469 HydrophobicContact CB-CB 4.25Å; K466-A469 WeakPolarHBondContact O-CA 3.42Å; K466-A469 WeakPolarHBondContact O-CB 2.85Å; K466-A469 PolarHBondContact O-N 2.78Å; V467-A469 PolarHBondContact O-N 3.29Å
470	T	77.8	Confident	83.6	Confident	44 Å²	44	66.1 Å²	66.1	27%	0.27	34%	0.34	S	S	.	.			trans	-59	147.8	177.8	59.6	0	0	0	0	111.4	R413 K466 V467	R413-T470 PolarHBondContact NH1-O 3.42Å; K466-T470 PolarHBondContact O-N 3.35Å; V467-T470 PolarHBondContact O-N 3.09Å; V467-T470 PolarHBondContact O-OG1 3.35Å
471	R	78.9	Confident	83.6	Confident	119 Å²	119	66.9 Å²	66.9	45%	0.449	35%	0.351	S	S	.	.	S	Bend	trans	-85	-40.5	-177	176.1	172.9	-179.3	-177.6	1.4	112.2	V412 R413 T418	V412-R471 CarbonylContact C-O 3.5Å; V412-R471 WeakPolarHBondContact CA-O 3.49Å; V412-R471 HydrophobicContact CG1-CG 3.64Å; R413-R471 PolarHBondContact N-O 3.28Å; T418-R471 HydrophobicContact CG2-CB 4.26Å
472	D	83.8	Confident	83.9	Confident	121 Å²	121	62.1 Å²	62.1	65%	0.647	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	133	179.2	-57.7	-29.8	0	0	0	108.1
473	V	85.1	Confident	84.2	Confident	15 Å²	15	61.2 Å²	61.2	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.8	-176.8	65.8	0	0	0	0	109.6	D160 G411 I475	D160-V473 HydrophobicContact CB-CG1 4.31Å; D160-V473 HydrophobicContact CB-CG2 4.06Å; D160-V473 WeakPolarHBondContact OD2-CG2 3.38Å; G411-V473 PolarHBondContact N-O 3.45Å; G411-V473 PolarHBondContact O-N 2.92Å; G411-V473 VanDerWaalsContact O-N 3.08Å; V473-I475 HydrophobicContact CG1-CD1 3.76Å; V473-I475 HydrophobicContact CG1-CG1 4Å; V473-I475 HydrophobicContact CG2-CG1 4.09Å
474	T	88.9	Confident	84.6	Confident	75 Å²	75	61.2 Å²	61.2	46%	0.46	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.2	167.4	-54.3	0	0	0	0	107.3	V408 F410	V408-T474 HydrophobicContact CG1-CG2 3.66Å; F410-T474 HydrophobicContact CD1-CG2 4.15Å; F410-T474 HydrophobicContact CE1-CG2 3.86Å
475	I	88.3	Confident	85	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.4	-179.3	-68.1	159.8	0	0	0	107.6	H158 L161 V408 H409 V473 L477	H158-I475 HydrophobicContact CB-CG2 4.18Å; L161-I475 HydrophobicContact CD1-CD1 4.01Å; L161-I475 HydrophobicContact CD2-CD1 3.32Å; L161-I475 HydrophobicContact CG-CD1 3.5Å; L161-I475 VanDerWaalsContact CG-CD1 3.5Å; V408-I475 WeakPolarHBondContact CA-O 3.32Å; H409-I475 HydrophobicContact CB-CB 4.37Å; H409-I475 PolarHBondContact N-O 3.29Å; H409-I475 PolarHBondContact O-N 3.31Å; V473-I475 HydrophobicContact CG1-CD1 3.76Å; V473-I475 HydrophobicContact CG1-CG1 4Å; V473-I475 HydrophobicContact CG2-CG1 4.09Å; I475-L477 HydrophobicContact CG2-CD1 3.76Å; I475-L477 HydrophobicContact CG2-CD2 4.28Å; I475-L477 HydrophobicContact CG2-CG 3.72Å
476	E	90.5	Very high	85.4	Confident	109 Å²	109	52.8 Å²	52.8	51%	0.509	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.5	178.6	-68.2	176.7	-166.8	0	0	108.6	I406 I407 V408	I406-E476 HydrophobicContact CG2-CB 3.79Å; I406-E476 HydrophobicContact CG2-CG 4.23Å; I407-E476 WeakPolarHBondContact O-CA 3.43Å; V408-E476 HydrophobicContact CG2-CG 4.36Å
477	L	89.3	Confident	86	Confident	20 Å²	20	46.9 Å²	46.9	11%	0.105	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	142	-176.2	-65.4	168	0	0	0	109.7	L157 H158 L385 I406 I407 I475 S479 F482	L157-L477 HydrophobicContact CD1-CD1 4.09Å; L157-L477 HydrophobicContact CD1-CD2 4.41Å; L157-L477 HydrophobicContact CD2-CD1 3.73Å; L157-L477 HydrophobicContact CG-CD1 3.75Å; L157-L477 HydrophobicContact CG-CD2 4.37Å; H158-L477 HydrophobicContact CB-CD2 4.39Å; L385-L477 HydrophobicContact CD2-CD1 4.08Å; I406-L477 CarbonylContact C-O 3.58Å; I406-L477 WeakPolarHBondContact CA-O 3.14Å; I407-L477 PolarHBondContact N-O 3.48Å; I407-L477 PolarHBondContact O-N 2.62Å; I475-L477 HydrophobicContact CG2-CD1 3.76Å; I475-L477 HydrophobicContact CG2-CD2 4.28Å; I475-L477 HydrophobicContact CG2-CG 3.72Å; L477-S479 PolarHBondContact O-N 3.22Å; L477-F482 HydrophobicContact CD1-CZ 4.29Å
478	S	88.7	Confident	87.1	Confident	27 Å²	27	43.4 Å²	43.4	19%	0.189	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	137.7	169	175.6	0	0	0	0	110.2	Y404 K480 F482	Y404-S478 WeakPolarHBondContact CB-OG 3.48Å; S478-K480 PolarHBondContact O-N 3.42Å; S478-K480 VanDerWaalsContact O-N 3.15Å; S478-K480 WeakPolarHBondContact OG-CB 3.48Å; S478-K480 PolarHBondContact OG-N 3.28Å; S478-F482 WeakPolarHBondContact O-CD2 3.29Å; S478-F482 WeakPolarHBondContact O-CE2 3.41Å
479	S	88.1	Confident	88	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.007	20%	0.2	C	C	.	.			trans	-70.5	-2.5	176.3	76.4	0	0	0	0	113.9	P405 L477 G481 F482	P405-S479 WeakPolarHBondContact CD-OG 3.47Å; P405-S479 VanDerWaalsContact O-CB 3.29Å; P405-S479 WeakPolarHBondContact O-CB 3.38Å; P405-S479 PolarHBondContact O-N 3Å; P405-S479 PolarHBondContact O-OG 2.93Å; L477-S479 PolarHBondContact O-N 3.22Å; S479-G481 PolarHBondContact O-N 3.47Å; S479-F482 PolarHBondContact O-N 3.2Å; S479-F482 VanDerWaalsContact O-N 3.15Å
480	K	88.7	Confident	89.1	Confident	92 Å²	92	38.6 Å²	38.6	40%	0.4	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	122	-178.8	-175.4	177.6	179	-180	0	111.6	D401 Y404 S478 F482	D401-K480 IonicContact OD1-NZ 2.63Å; D401-K480 PolarHBondContact OD1-NZ 3.42Å; D401-K480 VanDerWaalsContact OD2-CD 3.25Å; D401-K480 WeakPolarHBondContact OD2-CD 3.38Å; D401-K480 IonicContact OD2-NZ 3.98Å; D401-K480 PolarHBondContact OD2-NZ 2.97Å; Y404-K480 HydrophobicContact CD1-CB 3.97Å; Y404-K480 HydrophobicContact CD1-CG 4.5Å; Y404-K480 HydrophobicContact CD2-CB 4.08Å; Y404-K480 HydrophobicContact CD2-CD 4.26Å; Y404-K480 HydrophobicContact CD2-CG 4.31Å; Y404-K480 HydrophobicContact CE1-CB 4.16Å; Y404-K480 HydrophobicContact CE1-CG 4.21Å; Y404-K480 HydrophobicContact CE2-CB 4.28Å; Y404-K480 HydrophobicContact CE2-CD 4.01Å; Y404-K480 HydrophobicContact CE2-CG 4.02Å; Y404-K480 HydrophobicContact CG-CB 3.92Å; S478-K480 PolarHBondContact O-N 3.42Å; S478-K480 VanDerWaalsContact O-N 3.15Å; S478-K480 WeakPolarHBondContact OG-CB 3.48Å; S478-K480 PolarHBondContact OG-N 3.28Å; K480-F482 PolarHBondContact O-N 2.78Å
481	G	88.9	Confident	89.9	Confident	28 Å²	28	36.6 Å²	36.6	29%	0.289	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	11.2	178.2	0	0	0	0	0	115.1	S479 Y483	S479-G481 PolarHBondContact O-N 3.47Å; G481-Y483 WeakPolarHBondContact O-CD2 3.32Å
482	F	92.7	Very high	90.7	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.018	16%	0.161	C	C	.	.			trans	-86.5	135.8	169.7	-79.4	-91.5	0	0	0	110.9	L157 V351 V375 S376 N377 I407 L477 S478 S479 K480	L157-F482 HydrophobicContact CD1-CE2 4.41Å; L157-F482 HydrophobicContact CD1-CZ 3.76Å; L157-F482 HydrophobicContact CD2-CZ 4.15Å; V351-F482 HydrophobicContact CB-CB 4.35Å; V351-F482 HydrophobicContact CG2-CB 3.84Å; V351-F482 WeakPolarHBondContact CG2-O 3.37Å; V351-F482 PolarHBondContact N-O 3.19Å; V375-F482 HydrophobicContact CB-CD1 4.13Å; V375-F482 HydrophobicContact CG2-CD1 3.84Å; V375-F482 HydrophobicContact CG2-CE1 4.31Å; S376-F482 WeakPolarHBondContact O-CA 3.4Å; N377-F482 HydrophobicContact CB-CD1 4Å; N377-F482 HydrophobicContact CB-CE1 3.92Å; N377-F482 HydrophobicContact CB-CE2 4.43Å; N377-F482 HydrophobicContact CB-CG 4.31Å; N377-F482 HydrophobicContact CB-CZ 4.16Å; I407-F482 HydrophobicContact CD1-CB 3.87Å; I407-F482 HydrophobicContact CD1-CD1 4.15Å; I407-F482 HydrophobicContact CD1-CD2 3.83Å; I407-F482 HydrophobicContact CD1-CE2 4.37Å; I407-F482 HydrophobicContact CD1-CG 3.68Å; L477-F482 HydrophobicContact CD1-CZ 4.29Å; S478-F482 WeakPolarHBondContact O-CD2 3.29Å; S478-F482 WeakPolarHBondContact O-CE2 3.41Å; S479-F482 PolarHBondContact O-N 3.2Å; S479-F482 VanDerWaalsContact O-N 3.15Å; K480-F482 PolarHBondContact O-N 2.78Å
483	Y	93.8	Very high	91.1	Very high	67 Å²	67	25.1 Å²	25.1	26%	0.263	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.6	176	-64.7	-98	0	0	0	110.1	Y348 E349 L350 V375 S376 G481	Y348-Y483 AromaticContact CD1-CD1 3.88Å; Y348-Y483 HydrophobicContact CD1-CD1 3.88Å; Y348-Y483 HydrophobicContact CD1-CG 4.29Å; Y348-Y483 AromaticContact CE1-CD1 3.55Å; Y348-Y483 HydrophobicContact CE1-CD1 3.55Å; Y348-Y483 HydrophobicContact CE1-CD2 4.31Å; Y348-Y483 HydrophobicContact CE1-CE1 4.14Å; Y348-Y483 AromaticContact CE1-CG 3.66Å; Y348-Y483 HydrophobicContact CE1-CG 3.66Å; Y348-Y483 HydrophobicContact CE2-CG 4.26Å; Y348-Y483 AromaticContact CZ-CG 3.64Å; E349-Y483 CarbonylContact O-C 3.59Å; E349-Y483 VanDerWaalsContact O-CA 3.25Å; E349-Y483 WeakPolarHBondContact O-CA 3.22Å; L350-Y483 HydrophobicContact CD2-CD1 4.12Å; L350-Y483 HydrophobicContact CD2-CD2 4.4Å; L350-Y483 HydrophobicContact CD2-CE1 3.7Å; L350-Y483 HydrophobicContact CD2-CE2 4Å; L350-Y483 HydrophobicContact CD2-CG 4.44Å; L350-Y483 HydrophobicContact CG-CD1 4.4Å; L350-Y483 HydrophobicContact CG-CE1 3.98Å; V375-Y483 CarbonylContact C-O 3.57Å; V375-Y483 VanDerWaalsContact CA-O 3.23Å; V375-Y483 WeakPolarHBondContact CA-O 3.5Å; S376-Y483 PolarHBondContact N-O 3.27Å; S376-Y483 PolarHBondContact O-N 3.25Å; G481-Y483 WeakPolarHBondContact O-CD2 3.32Å
484	K	93.1	Very high	91.5	Very high	37 Å²	37	25.2 Å²	25.2	16%	0.161	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	143.3	168.3	-54.8	171.8	-163.4	175.5	0	107.9	S347 Y348 E349 L350 V351 L370	S347-K484 WeakPolarHBondContact O-CB 3.35Å; Y348-K484 WeakPolarHBondContact CA-O 3.47Å; Y348-K484 VanDerWaalsContact CD2-O 3.27Å; Y348-K484 WeakPolarHBondContact CD2-O 3.23Å; E349-K484 PolarHBondContact O-N 3.02Å; L350-K484 VanDerWaalsContact O-CE 3.32Å; L350-K484 WeakPolarHBondContact O-CE 3.44Å; V351-K484 HydrophobicContact CG2-CG 3.94Å; L370-K484 HydrophobicContact CD2-CD 3.63Å; L370-K484 HydrophobicContact CD2-CG 3.77Å
485	T	92.4	Very high	91.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-12.4	177.9	66.1	0	0	0	0	113.8	L297 L374 M487	L297-T485 HydrophobicContact CD1-CG2 4.12Å; L297-T485 HydrophobicContact CD2-CG2 3.99Å; L374-T485 PolarHBondContact O-N 2.6Å; L374-T485 PolarHBondContact O-OG1 3.39Å; T485-M487 PolarHBondContact O-N 3.41Å; T485-M487 PolarHBondContact OG1-N 3.22Å
486	G	90.6	Very high	92	Very high	5 Å²	5	21.7 Å²	21.7	5%	0.052	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.5	-5	-169.2	0	0	0	0	0	113.9	T230	T230-G486 WeakPolarHBondContact CG2-O 3.24Å
487	M	93.8	Very high	92.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	151.2	-169.8	-50.8	177.7	86.5	0	0	112	F289 Y292 F293 L297 L344 Q373 L374 T485 M491	F289-M487 HydrophobicContact CE2-CE 3.88Å; F289-M487 HydrophobicContact CZ-CE 4.04Å; Y292-M487 HydrophobicContact CE1-SD 4.29Å; F293-M487 HydrophobicContact CB-CE 4.3Å; F293-M487 HydrophobicContact CD1-CE 4.33Å; F293-M487 HydrophobicContact CD2-CE 3.11Å; F293-M487 HydrophobicContact CD2-SD 3.43Å; F293-M487 WeakPolarHBondContact CD2-SD 3.4Å; F293-M487 HydrophobicContact CE2-CE 3.32Å; F293-M487 HydrophobicContact CE2-SD 3.8Å; F293-M487 HydrophobicContact CG-CE 3.66Å; F293-M487 HydrophobicContact CG-SD 4.36Å; F293-M487 HydrophobicContact CZ-CE 4.05Å; L297-M487 HydrophobicContact CD1-SD 3.92Å; L344-M487 HydrophobicContact CD2-CE 4.4Å; L344-M487 HydrophobicContact CD2-CG 3.59Å; L344-M487 HydrophobicContact CD2-SD 3.83Å; Q373-M487 WeakPolarHBondContact CG-O 3.39Å; L374-M487 HydrophobicContact CD1-CB 4.33Å; L374-M487 PolarHBondContact N-O 2.93Å; T485-M487 PolarHBondContact O-N 3.41Å; T485-M487 PolarHBondContact OG1-N 3.22Å; M487-M491 HydrophobicContact CB-SD 4.22Å; M487-M491 HydrophobicContact CE-CE 3.24Å; M487-M491 HydrophobicContact CE-SD 3.35Å; M487-M491 WeakPolarHBondContact CE-SD 3.34Å; M487-M491 HydrophobicContact CG-SD 4.22Å
488	Y	93.7	Very high	92.4	Very high	45 Å²	45	15.5 Å²	15.5	18%	0.176	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	175.4	176.9	-69.1	-103.6	0	0	0	111.9	S228 T230 N369 G372 Q373 D490 M491	S228-Y488 WeakPolarHBondContact O-CB 3.46Å; T230-Y488 HydrophobicContact CG2-CD2 4.44Å; T230-Y488 WeakPolarHBondContact OG1-CB 3.3Å; T230-Y488 PolarHBondContact OG1-N 3.13Å; N369-Y488 PolarHBondContact O-OH 2.78Å; N369-Y488 VanDerWaalsContact O-OH 3.1Å; G372-Y488 VanDerWaalsContact C-CD1 3.48Å; G372-Y488 WeakPolarHBondContact O-CD1 3.33Å; Q373-Y488 HydrophobicContact CB-CE1 4.14Å; Q373-Y488 HydrophobicContact CG-CE2 4.32Å; Y488-D490 WeakPolarHBondContact CB-OD1 3.43Å; Y488-D490 PolarHBondContact O-N 2.9Å; Y488-M491 PolarHBondContact O-N 3.08Å
489	S	91.4	Very high	92.6	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-65.2	-19.7	-177.5	-62.8	0	0	0	0	114.7	V492 Q493 C555 G556	S489-V492 WeakPolarHBondContact O-CB 3.36Å; S489-V492 PolarHBondContact O-N 2.91Å; S489-Q493 WeakPolarHBondContact O-CG 3.19Å; S489-Q493 PolarHBondContact O-N 2.9Å; S489-C555 WeakPolarHBondContact CB-O 3.31Å; S489-C555 PolarHBondContact OG-O 3.12Å; S489-G556 PolarHBondContact OG-O 3.32Å
490	D	93.1	Very high	92.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.9	-47.2	176.6	59.8	-26.3	0	0	0	112	L223 S228 T229 T230 F241 Y488 V492 Q493 H494	L223-D490 WeakPolarHBondContact O-CB 3.43Å; S228-D490 VanDerWaalsContact O-CB 3.25Å; S228-D490 WeakPolarHBondContact O-CB 3.4Å; T229-D490 WeakPolarHBondContact CA-OD2 3.41Å; T230-D490 PolarHBondContact N-OD1 3.39Å; T230-D490 PolarHBondContact N-OD2 3.33Å; T230-D490 PolarHBondContact OG1-OD1 3.34Å; F241-D490 WeakPolarHBondContact CB-OD2 3.39Å; F241-D490 HydrophobicContact CD1-CB 4.4Å; F241-D490 WeakPolarHBondContact CD1-OD2 3.18Å; Y488-D490 WeakPolarHBondContact CB-OD1 3.43Å; Y488-D490 PolarHBondContact O-N 2.9Å; D490-V492 PolarHBondContact O-N 3.03Å; D490-Q493 PolarHBondContact O-N 3.42Å; D490-H494 PolarHBondContact O-CD2 3.42Å; D490-H494 PolarHBondContact O-N 3.23Å
491	M	94.8	Very high	93.2	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-58.9	-37.3	177.3	-66.2	-170	74.3	0	0	111.7	T230 F241 Y244 F289 F293 P321 F323 M487 Y488 G495	T230-M491 HydrophobicContact CG2-SD 3.84Å; F241-M491 HydrophobicContact CD1-CG 3.92Å; F241-M491 HydrophobicContact CD2-CE 4.19Å; F241-M491 HydrophobicContact CD2-CG 3.93Å; F241-M491 HydrophobicContact CD2-SD 4.42Å; F241-M491 HydrophobicContact CE1-CB 4.37Å; F241-M491 HydrophobicContact CE1-CG 3.96Å; F241-M491 HydrophobicContact CE2-CE 3.94Å; F241-M491 HydrophobicContact CE2-CG 3.97Å; F241-M491 HydrophobicContact CG-CG 3.91Å; F241-M491 HydrophobicContact CZ-CB 4.38Å; F241-M491 HydrophobicContact CZ-CG 3.99Å; Y244-M491 PolarHBondContact OH-O 3.21Å; F289-M491 HydrophobicContact CE2-CE 4.1Å; F289-M491 HydrophobicContact CZ-CE 3.72Å; F293-M491 HydrophobicContact CE1-CB 4.34Å; F293-M491 HydrophobicContact CE2-CB 4.33Å; F293-M491 HydrophobicContact CZ-CB 3.72Å; P321-M491 HydrophobicContact CB-CE 4.05Å; F323-M491 HydrophobicContact CE2-CE 4.38Å; F323-M491 HydrophobicContact CZ-CE 4.12Å; F323-M491 HydrophobicContact CZ-SD 4Å; M487-M491 HydrophobicContact CB-SD 4.22Å; M487-M491 HydrophobicContact CE-CE 3.24Å; M487-M491 HydrophobicContact CE-SD 3.35Å; M487-M491 WeakPolarHBondContact CE-SD 3.34Å; M487-M491 HydrophobicContact CG-SD 4.22Å; Y488-M491 PolarHBondContact O-N 3.08Å; M491-G495 PolarHBondContact O-N 2.97Å
492	V	94.5	Very high	93.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-67.9	-43.7	175.2	177.4	0	0	0	0	110.5	F293 M298 L374 S489 D490 H494 G495 L496 T551 C555	F293-V492 HydrophobicContact CE2-CG2 4.23Å; F293-V492 HydrophobicContact CZ-CG2 3.9Å; M298-V492 HydrophobicContact CE-CG1 4.08Å; M298-V492 HydrophobicContact SD-CG2 4.46Å; L374-V492 HydrophobicContact CD1-CG2 3.61Å; S489-V492 WeakPolarHBondContact O-CB 3.36Å; S489-V492 PolarHBondContact O-N 2.91Å; D490-V492 PolarHBondContact O-N 3.03Å; V492-H494 PolarHBondContact O-N 3.44Å; V492-G495 PolarHBondContact O-N 2.95Å; V492-L496 HydrophobicContact CG1-CD1 3.92Å; V492-L496 HydrophobicContact CG1-CG 4.34Å; V492-L496 VanDerWaalsContact O-CG 3.24Å; V492-L496 WeakPolarHBondContact O-CG 3.34Å; V492-L496 PolarHBondContact O-N 3.37Å; V492-T551 HydrophobicContact CG1-CG2 4.05Å; V492-C555 HydrophobicContact CG1-CB 4.16Å; V492-C555 HydrophobicContact CG2-CB 4.08Å
493	Q	92.9	Very high	93.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-66.1	-36.3	-179.5	-66	-52.1	-16.1	0	0	113.5	L223 S489 D490 K497 G556 L557	L223-Q493 HydrophobicContact CD2-CB 4.48Å; S489-Q493 WeakPolarHBondContact O-CG 3.19Å; S489-Q493 PolarHBondContact O-N 2.9Å; D490-Q493 PolarHBondContact O-N 3.42Å; Q493-K497 WeakPolarHBondContact O-CG 3.33Å; Q493-K497 PolarHBondContact O-NZ 3.36Å; Q493-G556 VanDerWaalsContact NE2-CA 3.27Å; Q493-L557 HydrophobicContact CG-CD1 4.25Å; Q493-L557 HydrophobicContact CG-CG 4.18Å
494	H	93.7	Very high	93.4	Very high	17 Å²	17	7 Å²	7	8%	0.079	3%	0.032	C	C	.	.	H	α-helix	trans	-71.6	-42.9	172.1	-81.5	-101.4	0	0	0	111.2	F241 Y244 D490 V492 L496 K497 L498	F241-H494 HydrophobicContact CE1-CB 3.9Å; F241-H494 AromaticContact CE1-CD2 3.84Å; F241-H494 AromaticContact CE1-CG 3.85Å; F241-H494 HydrophobicContact CZ-CB 4.17Å; Y244-H494 HydrophobicContact CD2-CB 3.8Å; Y244-H494 HydrophobicContact CE2-CB 3.6Å; D490-H494 PolarHBondContact O-CD2 3.42Å; D490-H494 PolarHBondContact O-N 3.23Å; V492-H494 PolarHBondContact O-N 3.44Å; H494-L496 VanDerWaalsContact C-N 3.3Å; H494-L496 PolarHBondContact O-N 2.98Å; H494-K497 PolarHBondContact O-N 3.4Å; H494-L498 PolarHBondContact O-N 3.03Å
495	G	93.8	Very high	93.4	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.3	-38.8	-178.8	0	0	0	0	0	112.3	M491 V492 K497 L498 I499	M491-G495 PolarHBondContact O-N 2.97Å; V492-G495 PolarHBondContact O-N 2.95Å; G495-K497 VanDerWaalsContact C-N 3.29Å; G495-K497 PolarHBondContact O-N 2.78Å; G495-L498 WeakPolarHBondContact O-CB 3.5Å; G495-L498 PolarHBondContact O-N 2.95Å; G495-I499 WeakPolarHBondContact O-CG1 3.44Å; G495-I499 PolarHBondContact O-N 3.47Å
496	L	94	Very high	93.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-70.3	-22.6	176.6	-63.4	174.4	0	0	0	113.6	M298 L300 V492 H494 I499 I548 T551 L552	M298-L496 HydrophobicContact CE-CD2 3.36Å; M298-L496 HydrophobicContact CE-CG 3.67Å; L300-L496 HydrophobicContact CD1-CD2 4.27Å; L300-L496 HydrophobicContact CD2-CD2 4.29Å; V492-L496 HydrophobicContact CG1-CD1 3.92Å; V492-L496 HydrophobicContact CG1-CG 4.34Å; V492-L496 VanDerWaalsContact O-CG 3.24Å; V492-L496 WeakPolarHBondContact O-CG 3.34Å; V492-L496 PolarHBondContact O-N 3.37Å; H494-L496 VanDerWaalsContact C-N 3.3Å; H494-L496 PolarHBondContact O-N 2.98Å; L496-I499 HydrophobicContact CD2-CD1 4.22Å; L496-I548 HydrophobicContact CD1-CG2 4.42Å; L496-I548 HydrophobicContact CD2-CD1 3.52Å; L496-I548 HydrophobicContact CD2-CG2 4.22Å; L496-T551 HydrophobicContact CD1-CG2 4.41Å; L496-T551 HydrophobicContact CD2-CG2 4.28Å; L496-L552 HydrophobicContact CD1-CD2 4.07Å; L496-L552 HydrophobicContact CD1-CG 3.86Å
497	K	93.6	Very high	93.6	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-83.1	-34.8	172.4	-66.7	-178.5	-177.2	73.3	0	111.5	V217 L223 M261 L270 Q493 H494 G495 I499 V500 M501	V217-K497 HydrophobicContact CG1-CD 3.68Å; V217-K497 HydrophobicContact CG2-CD 4.07Å; L223-K497 HydrophobicContact CD2-CD 4.08Å; M261-K497 HydrophobicContact CE-CG 4.48Å; M261-K497 HydrophobicContact SD-CB 4.37Å; M261-K497 HydrophobicContact SD-CD 4.34Å; M261-K497 HydrophobicContact SD-CG 3.82Å; L270-K497 HydrophobicContact CD1-CB 4.4Å; L270-K497 HydrophobicContact CD2-CB 4.14Å; L270-K497 HydrophobicContact CD2-CD 4.03Å; L270-K497 HydrophobicContact CD2-CG 4.42Å; Q493-K497 WeakPolarHBondContact O-CG 3.33Å; Q493-K497 PolarHBondContact O-NZ 3.36Å; H494-K497 PolarHBondContact O-N 3.4Å; G495-K497 VanDerWaalsContact C-N 3.29Å; G495-K497 PolarHBondContact O-N 2.78Å; K497-I499 VanDerWaalsContact C-N 3.31Å; K497-I499 PolarHBondContact O-N 3.21Å; K497-V500 WeakPolarHBondContact O-CB 3.48Å; K497-V500 PolarHBondContact O-N 3Å; K497-V500 VanDerWaalsContact O-N 3.12Å; K497-M501 PolarHBondContact O-N 2.99Å
498	L	94	Very high	93.6	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-56.8	-42.7	175.8	178.4	65.3	0	0	0	112.5	L215 Y244 I246 F294 I319 H494 G495 V500 M501 F502	L215-L498 HydrophobicContact CD2-CB 4.01Å; L215-L498 HydrophobicContact CD2-CD1 4.02Å; Y244-L498 HydrophobicContact CD1-CD2 4.45Å; Y244-L498 HydrophobicContact CD2-CD2 4.09Å; Y244-L498 HydrophobicContact CG-CD2 3.93Å; I246-L498 HydrophobicContact CD1-CD1 3.52Å; I246-L498 HydrophobicContact CG1-CD1 3.64Å; F294-L498 HydrophobicContact CE1-CD2 4.5Å; F294-L498 HydrophobicContact CZ-CD2 3.97Å; I319-L498 HydrophobicContact CG2-CD2 3.86Å; H494-L498 PolarHBondContact O-N 3.03Å; G495-L498 WeakPolarHBondContact O-CB 3.5Å; G495-L498 PolarHBondContact O-N 2.95Å; L498-V500 PolarHBondContact O-N 2.81Å; L498-M501 WeakPolarHBondContact O-CA 3.3Å; L498-M501 WeakPolarHBondContact O-CB 3.35Å; L498-M501 PolarHBondContact O-N 3.32Å; L498-F502 HydrophobicContact CD1-CD1 4.14Å; L498-F502 HydrophobicContact CD1-CE1 3.45Å; L498-F502 VanDerWaalsContact CD1-CE1 3.45Å; L498-F502 HydrophobicContact CD1-CZ 3.72Å; L498-F502 HydrophobicContact CD2-CE1 4.41Å; L498-F502 HydrophobicContact CD2-CE2 4.27Å; L498-F502 HydrophobicContact CD2-CZ 3.81Å; L498-F502 HydrophobicContact CG-CD1 4.4Å; L498-F502 HydrophobicContact CG-CE1 3.79Å; L498-F502 HydrophobicContact CG-CE2 4.03Å; L498-F502 HydrophobicContact CG-CZ 3.58Å; L498-F502 PolarHBondContact O-N 3.35Å
499	I	94.2	Very high	93.5	Very high	5 Å²	5	5.5 Å²	5.5	3%	0.026	3%	0.026	C	C	.	.	H	α-helix	trans	-59.5	-37.6	177.4	-61.9	158	0	0	0	111.6	F294 L300 V303 G495 L496 K497 M501 F502 H503 T543 I548	F294-I499 HydrophobicContact CE1-CG1 4.48Å; L300-I499 HydrophobicContact CD1-CD1 3.3Å; L300-I499 HydrophobicContact CD2-CD1 4.47Å; L300-I499 HydrophobicContact CG-CD1 4.44Å; V303-I499 HydrophobicContact CG1-CG2 4.38Å; V303-I499 HydrophobicContact CG2-CD1 4.21Å; V303-I499 HydrophobicContact CG2-CG1 4.37Å; V303-I499 HydrophobicContact CG2-CG2 3.95Å; G495-I499 WeakPolarHBondContact O-CG1 3.44Å; G495-I499 PolarHBondContact O-N 3.47Å; L496-I499 HydrophobicContact CD2-CD1 4.22Å; K497-I499 VanDerWaalsContact C-N 3.31Å; K497-I499 PolarHBondContact O-N 3.21Å; I499-M501 VanDerWaalsContact C-N 3.31Å; I499-F502 PolarHBondContact O-N 3.4Å; I499-H503 PolarHBondContact O-N 3.42Å; I499-T543 HydrophobicContact CG2-CG2 4Å; I499-I548 HydrophobicContact CD1-CD1 4.05Å
500	V	93.9	Very high	93.6	Very high	3 Å²	3	5.6 Å²	5.6	2%	0.018	3%	0.027	C	C	.	.	H	α-helix	trans	-64.5	-40.4	175.4	-177	0	0	0	0	110.7	R259 M261 L270 K497 L498 H504 P539 A542	R259-V500 HydrophobicContact CG-CG1 4.02Å; M261-V500 HydrophobicContact CE-CG2 4.25Å; L270-V500 HydrophobicContact CD1-CB 4.27Å; L270-V500 HydrophobicContact CD1-CG1 4.35Å; K497-V500 WeakPolarHBondContact O-CB 3.48Å; K497-V500 PolarHBondContact O-N 3Å; K497-V500 VanDerWaalsContact O-N 3.12Å; L498-V500 PolarHBondContact O-N 2.81Å; V500-H504 WeakPolarHBondContact O-CB 3.44Å; V500-H504 PolarHBondContact O-N 3.08Å; V500-H504 VanDerWaalsContact O-N 3.12Å; V500-P539 WeakPolarHBondContact CG1-O 3.37Å; V500-A542 HydrophobicContact CB-CB 4.23Å; V500-A542 HydrophobicContact CG1-CB 4.44Å; V500-A542 HydrophobicContact CG2-CB 4.08Å
501	M	93.8	Very high	93.6	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.01	3%	0.027	C	C	.	.	H	α-helix	trans	-65.4	-39	176	-164.5	66.6	-154.5	0	0	112.5	L215 I246 I256 R259 L270 L272 K497 L498 I499 H503 H504 I505	L215-M501 HydrophobicContact CD1-CB 4.05Å; L215-M501 HydrophobicContact CD1-CG 3.93Å; L215-M501 HydrophobicContact CD1-SD 4.36Å; I246-M501 HydrophobicContact CD1-CG 4.28Å; I256-M501 HydrophobicContact CD1-CE 4.34Å; R259-M501 HydrophobicContact CB-SD 4.4Å; L270-M501 HydrophobicContact CB-SD 4.36Å; L272-M501 HydrophobicContact CD1-CE 3.72Å; L272-M501 HydrophobicContact CD2-CE 3.89Å; L272-M501 HydrophobicContact CD2-CG 4.11Å; L272-M501 HydrophobicContact CD2-SD 4.47Å; L272-M501 HydrophobicContact CG-CE 3.58Å; K497-M501 PolarHBondContact O-N 2.99Å; L498-M501 WeakPolarHBondContact O-CA 3.3Å; L498-M501 WeakPolarHBondContact O-CB 3.35Å; L498-M501 PolarHBondContact O-N 3.32Å; I499-M501 VanDerWaalsContact C-N 3.31Å; M501-H503 PolarHBondContact O-N 3.28Å; M501-H504 WeakPolarHBondContact O-CB 3.38Å; M501-H504 PolarHBondContact O-N 3.44Å; M501-I505 HydrophobicContact CE-CD1 4.04Å; M501-I505 HydrophobicContact CE-CG1 3.69Å; M501-I505 HydrophobicContact CG-CD1 3.99Å; M501-I505 HydrophobicContact CG-CG1 4.33Å; M501-I505 WeakPolarHBondContact O-CG1 3.39Å; M501-I505 PolarHBondContact O-N 2.99Å
502	F	93.7	Very high	93.5	Very high	7 Å²	7	10.5 Å²	10.5	3%	0.031	5%	0.045	C	C	.	.	H	α-helix	trans	-60.7	-46	177.3	-69.9	-12.3	0	0	0	113.1	I246 W290 L305 F317 I319 L498 I499 H504 I505 R506	I246-F502 HydrophobicContact CD1-CE1 4.09Å; I246-F502 HydrophobicContact CG1-CE1 4.22Å; I246-F502 HydrophobicContact CG2-CE1 3.86Å; W290-F502 HydrophobicContact CH2-CE2 4.05Å; W290-F502 AromaticContact CZ3-CE2 3.84Å; W290-F502 HydrophobicContact CZ3-CE2 3.84Å; L305-F502 HydrophobicContact CD2-CD2 3.73Å; L305-F502 HydrophobicContact CD2-CE2 3.86Å; F317-F502 HydrophobicContact CB-CD1 4.43Å; F317-F502 HydrophobicContact CB-CE1 3.98Å; F317-F502 HydrophobicContact CB-CE2 4.44Å; F317-F502 HydrophobicContact CB-CZ 3.97Å; F317-F502 HydrophobicContact CD1-CD1 4.5Å; F317-F502 HydrophobicContact CD2-CB 3.99Å; F317-F502 AromaticContact CD2-CD1 3.69Å; F317-F502 HydrophobicContact CD2-CD1 3.69Å; F317-F502 HydrophobicContact CD2-CD2 4.1Å; F317-F502 HydrophobicContact CD2-CE1 4.1Å; F317-F502 HydrophobicContact CD2-CE2 4.47Å; F317-F502 AromaticContact CD2-CG 3.68Å; F317-F502 HydrophobicContact CD2-CG 3.68Å; F317-F502 HydrophobicContact CD2-CZ 4.46Å; F317-F502 HydrophobicContact CE2-CB 3.78Å; F317-F502 HydrophobicContact CE2-CD1 4.01Å; F317-F502 AromaticContact CE2-CG 3.96Å; F317-F502 HydrophobicContact CE2-CG 3.96Å; F317-F502 AromaticContact CG-CD1 3.95Å; F317-F502 HydrophobicContact CG-CD1 3.95Å; F317-F502 AromaticContact CG-CE1 3.96Å; F317-F502 HydrophobicContact CG-CE1 3.96Å; F317-F502 HydrophobicContact CG-CG 4.37Å; F317-F502 HydrophobicContact CG-CZ 4.36Å; I319-F502 HydrophobicContact CG2-CE1 4.47Å; I319-F502 HydrophobicContact CG2-CE2 4.28Å; I319-F502 HydrophobicContact CG2-CZ 3.51Å; L498-F502 HydrophobicContact CD1-CD1 4.14Å; L498-F502 HydrophobicContact CD1-CE1 3.45Å; L498-F502 VanDerWaalsContact CD1-CE1 3.45Å; L498-F502 HydrophobicContact CD1-CZ 3.72Å; L498-F502 HydrophobicContact CD2-CE1 4.41Å; L498-F502 HydrophobicContact CD2-CE2 4.27Å; L498-F502 HydrophobicContact CD2-CZ 3.81Å; L498-F502 HydrophobicContact CG-CD1 4.4Å; L498-F502 HydrophobicContact CG-CE1 3.79Å; L498-F502 HydrophobicContact CG-CE2 4.03Å; L498-F502 HydrophobicContact CG-CZ 3.58Å; L498-F502 PolarHBondContact O-N 3.35Å; I499-F502 PolarHBondContact O-N 3.4Å; F502-H504 VanDerWaalsContact C-N 3.29Å; F502-H504 PolarHBondContact O-N 2.9Å; F502-I505 PolarHBondContact O-N 3.44Å; F502-R506 WeakPolarHBondContact O-CG 3.48Å; F502-R506 PolarHBondContact O-N 2.76Å
503	H	92.9	Very high	93.5	Very high	21 Å²	21	11.8 Å²	11.8	10%	0.097	5%	0.053	C	C	.	.	H	α-helix	trans	-60.8	-42.7	175	-178.8	93.1	0	0	0	111.1	V186 F191 I499 M501 R506 F507 Y537 A542	V186-H503 VanDerWaalsContact CG1-CE1 3.41Å; V186-H503 WeakPolarHBondContact CG1-CE1 3.42Å; F191-H503 AromaticContact CZ-ND1 3.7Å; I499-H503 PolarHBondContact O-N 3.42Å; M501-H503 PolarHBondContact O-N 3.28Å; H503-R506 PolarHBondContact O-N 3.28Å; H503-F507 VanDerWaalsContact O-CB 3.24Å; H503-F507 WeakPolarHBondContact O-CB 3.31Å; H503-F507 PolarHBondContact O-N 2.74Å; H503-Y537 PolarHBondContact NE2-OH 3.07Å; H503-A542 HydrophobicContact CB-CB 3.59Å
504	H	93.3	Very high	93.5	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.009	5%	0.053	C	C	.	.	H	α-helix	trans	-60.9	-46.7	177.9	-168.7	69.8	0	0	0	112.7	P257 R259 V500 M501 F502 F507 H508 E529	P257-H504 PolarHBondContact O-NE2 3.1Å; R259-H504 VanDerWaalsContact CD-ND1 3.3Å; R259-H504 WeakPolarHBondContact CD-ND1 3.1Å; R259-H504 PolarHBondContact NH1-ND1 3.41Å; V500-H504 WeakPolarHBondContact O-CB 3.44Å; V500-H504 PolarHBondContact O-N 3.08Å; V500-H504 VanDerWaalsContact O-N 3.12Å; M501-H504 WeakPolarHBondContact O-CB 3.38Å; M501-H504 PolarHBondContact O-N 3.44Å; F502-H504 VanDerWaalsContact C-N 3.29Å; F502-H504 PolarHBondContact O-N 2.9Å; H504-F507 PolarHBondContact O-N 2.73Å; H504-H508 AromaticContact CE1-CD2 3.43Å; H504-H508 PolarHBondContact CE1-CD2 3.28Å; H504-H508 VanDerWaalsContact CE1-CD2 3.43Å; H504-H508 AromaticContact CE1-NE2 3.31Å; H504-H508 PolarHBondContact CE1-NE2 2.76Å; H504-H508 VanDerWaalsContact CE1-NE2 3.31Å; H504-H508 AromaticContact ND1-CD2 3.79Å; H504-H508 AromaticContact ND1-NE2 3.98Å; H504-H508 AromaticContact NE2-CD2 3.6Å; H504-H508 AromaticContact NE2-NE2 3.73Å; H504-H508 PolarHBondContact O-CD2 3.09Å; H504-H508 PolarHBondContact O-N 2.9Å; H504-E529 IonicContact CE1-OE2 3.7Å; H504-E529 PolarHBondContact CE1-OE2 3.31Å; H504-E529 IonicContact ND1-OE2 2.77Å
505	I	93.4	Very high	93.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-63.3	-48.7	177.9	-64.3	167.1	0	0	0	110.6	I246 V252 I256 L272 F317 M501 F502 F507 H508 L509	I246-I505 HydrophobicContact CD1-CD1 4.49Å; V252-I505 HydrophobicContact CG2-CG2 4.16Å; I256-I505 HydrophobicContact CD1-CG1 4.11Å; L272-I505 HydrophobicContact CD1-CD1 4.08Å; L272-I505 HydrophobicContact CD1-CG1 4.41Å; L272-I505 HydrophobicContact CD2-CD1 4.49Å; F317-I505 HydrophobicContact CE1-CB 4.31Å; F317-I505 HydrophobicContact CE1-CD1 4.33Å; F317-I505 HydrophobicContact CE1-CG2 3.84Å; F317-I505 HydrophobicContact CZ-CB 3.92Å; F317-I505 HydrophobicContact CZ-CG2 3.77Å; M501-I505 HydrophobicContact CE-CD1 4.04Å; M501-I505 HydrophobicContact CE-CG1 3.69Å; M501-I505 HydrophobicContact CG-CD1 3.99Å; M501-I505 HydrophobicContact CG-CG1 4.33Å; M501-I505 WeakPolarHBondContact O-CG1 3.39Å; M501-I505 PolarHBondContact O-N 2.99Å; F502-I505 PolarHBondContact O-N 3.44Å; I505-F507 VanDerWaalsContact C-N 3.31Å; I505-F507 PolarHBondContact O-N 3.48Å; I505-H508 PolarHBondContact O-N 3.19Å; I505-L509 HydrophobicContact CG2-CD1 3.97Å; I505-L509 HydrophobicContact CG2-CG 4.37Å; I505-L509 WeakPolarHBondContact O-CG 3.26Å; I505-L509 PolarHBondContact O-N 3.2Å
506	R	93.5	Very high	93.6	Very high	15 Å²	15	18.6 Å²	18.6	6%	0.057	9%	0.085	C	C	.	.	H	α-helix	trans	-60.6	-41.6	179	-72.6	174.5	75.7	-172.4	3.9	111.9	F191 E194 N304 T316 F317 F502 H503 L509 S510	F191-R506 HydrophobicContact CD1-CB 3.84Å; F191-R506 HydrophobicContact CD2-CB 4Å; F191-R506 VanDerWaalsContact CD2-CZ 3.49Å; F191-R506 HydrophobicContact CE1-CB 3.74Å; F191-R506 HydrophobicContact CE2-CB 3.92Å; F191-R506 VanDerWaalsContact CE2-CZ 3.41Å; F191-R506 HydrophobicContact CG-CB 3.95Å; F191-R506 HydrophobicContact CZ-CB 3.78Å; E194-R506 VanDerWaalsContact CD-NH2 3.3Å; E194-R506 IonicContact OE1-CZ 3.65Å; E194-R506 VanDerWaalsContact OE1-CZ 3.31Å; E194-R506 IonicContact OE1-NE 2.63Å; E194-R506 PolarHBondContact OE1-NE 2.96Å; E194-R506 IonicContact OE1-NH2 2.67Å; E194-R506 PolarHBondContact OE1-NH2 3.43Å; E194-R506 VanDerWaalsContact OE1-NH2 3.1Å; E194-R506 IonicContact OE2-CZ 3.3Å; E194-R506 IonicContact OE2-NE 3.37Å; E194-R506 PolarHBondContact OE2-NE 3.35Å; E194-R506 IonicContact OE2-NH2 3.55Å; E194-R506 PolarHBondContact OE2-NH2 2.87Å; N304-R506 PolarHBondContact O-NH1 3.32Å; T316-R506 HydrophobicContact CG2-CG 4.25Å; F317-R506 HydrophobicContact CE2-CG 3.66Å; F317-R506 HydrophobicContact CZ-CG 3.78Å; F502-R506 WeakPolarHBondContact O-CG 3.48Å; F502-R506 PolarHBondContact O-N 2.76Å; H503-R506 PolarHBondContact O-N 3.28Å; R506-L509 PolarHBondContact O-N 3.14Å; R506-S510 PolarHBondContact O-N 3.3Å
507	F	93.8	Very high	93.5	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.013	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-53.4	175.4	179	-112.6	0	0	0	111.5	V186 F191 H503 H504 I505 L509 S510 L511 E529 L532 F656 L658	V186-F507 HydrophobicContact CG1-CD2 4.37Å; V186-F507 HydrophobicContact CG2-CD2 3.88Å; V186-F507 HydrophobicContact CG2-CE2 4.2Å; F191-F507 HydrophobicContact CE1-CB 4.08Å; H503-F507 VanDerWaalsContact O-CB 3.24Å; H503-F507 WeakPolarHBondContact O-CB 3.31Å; H503-F507 PolarHBondContact O-N 2.74Å; H504-F507 PolarHBondContact O-N 2.73Å; I505-F507 VanDerWaalsContact C-N 3.31Å; I505-F507 PolarHBondContact O-N 3.48Å; F507-L509 VanDerWaalsContact C-N 3.28Å; F507-L509 PolarHBondContact O-N 3.13Å; F507-S510 WeakPolarHBondContact O-CA 3.44Å; F507-S510 WeakPolarHBondContact O-CB 3.19Å; F507-S510 PolarHBondContact O-N 2.81Å; F507-S510 PolarHBondContact O-OG 3.16Å; F507-L511 HydrophobicContact CD1-CD1 4.29Å; F507-L511 HydrophobicContact CE1-CD1 3.78Å; F507-L511 HydrophobicContact CE1-CD2 4.26Å; F507-L511 HydrophobicContact CE1-CG 4.19Å; F507-L511 HydrophobicContact CE2-CD2 4.04Å; F507-L511 HydrophobicContact CE2-CG 4.5Å; F507-L511 HydrophobicContact CZ-CD1 4.15Å; F507-L511 HydrophobicContact CZ-CD2 3.78Å; F507-L511 HydrophobicContact CZ-CG 4.18Å; F507-L511 PolarHBondContact O-N 3Å; F507-E529 HydrophobicContact CE1-CB 4.07Å; F507-E529 HydrophobicContact CE1-CG 3.83Å; F507-L532 HydrophobicContact CZ-CB 4.39Å; F507-L532 HydrophobicContact CZ-CD1 3.86Å; F507-F656 VanDerWaalsContact CE2-O 3.29Å; F507-F656 WeakPolarHBondContact CE2-O 3.39Å; F507-L658 HydrophobicContact CD1-CD1 4.41Å; F507-L658 HydrophobicContact CD2-CD2 3.91Å; F507-L658 HydrophobicContact CE1-CD1 3.88Å; F507-L658 HydrophobicContact CE1-CG 4.43Å; F507-L658 HydrophobicContact CE2-CD1 4.3Å; F507-L658 HydrophobicContact CE2-CD2 3.78Å; F507-L658 HydrophobicContact CE2-CG 3.96Å; F507-L658 HydrophobicContact CG-CD2 4.38Å; F507-L658 HydrophobicContact CZ-CD1 3.8Å; F507-L658 HydrophobicContact CZ-CD2 4.15Å; F507-L658 HydrophobicContact CZ-CG 3.88Å
508	H	93.2	Very high	93.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-30.1	178.9	-85.8	-79.9	0	0	0	113.7	I256 P257 H504 I505 R525 E529	I256-H508 HydrophobicContact CD1-CB 3.88Å; I256-H508 HydrophobicContact CG1-CB 3.92Å; P257-H508 WeakPolarHBondContact CD-CE1 3.41Å; H504-H508 AromaticContact CE1-CD2 3.43Å; H504-H508 PolarHBondContact CE1-CD2 3.28Å; H504-H508 VanDerWaalsContact CE1-CD2 3.43Å; H504-H508 AromaticContact CE1-NE2 3.31Å; H504-H508 PolarHBondContact CE1-NE2 2.76Å; H504-H508 VanDerWaalsContact CE1-NE2 3.31Å; H504-H508 AromaticContact ND1-CD2 3.79Å; H504-H508 AromaticContact ND1-NE2 3.98Å; H504-H508 AromaticContact NE2-CD2 3.6Å; H504-H508 AromaticContact NE2-NE2 3.73Å; H504-H508 PolarHBondContact O-CD2 3.09Å; H504-H508 PolarHBondContact O-N 2.9Å; I505-H508 PolarHBondContact O-N 3.19Å; H508-R525 PolarHBondContact O-NH1 2.9Å; H508-R525 PolarHBondContact O-NH2 3.04Å; H508-E529 IonicContact CD2-OE2 3.47Å; H508-E529 IonicContact CE1-OE2 3.68Å; H508-E529 IonicContact NE2-OE2 3.46Å; H508-E529 PolarHBondContact NE2-OE2 3.19Å
509	L	92	Very high	93.4	Very high	37 Å²	37	31.1 Å²	31.1	19%	0.194	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-42.3	170.7	-72.6	173.3	0	0	0	111.3	P253 I505 R506 F507 L511 R512	P253-L509 HydrophobicContact CG-CD2 4.25Å; I505-L509 HydrophobicContact CG2-CD1 3.97Å; I505-L509 HydrophobicContact CG2-CG 4.37Å; I505-L509 WeakPolarHBondContact O-CG 3.26Å; I505-L509 PolarHBondContact O-N 3.2Å; R506-L509 PolarHBondContact O-N 3.14Å; F507-L509 VanDerWaalsContact C-N 3.28Å; F507-L509 PolarHBondContact O-N 3.13Å; L509-L511 VanDerWaalsContact C-N 3.3Å; L509-L511 PolarHBondContact O-N 2.96Å; L509-R512 WeakPolarHBondContact O-CB 3.31Å; L509-R512 PolarHBondContact O-N 3.39Å
510	S	93	Very high	93.4	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-33.4	176.9	73.7	0	0	0	0	113	A192 R506 F507 R512 V513 F656	A192-S510 WeakPolarHBondContact O-CA 3.23Å; A192-S510 VanDerWaalsContact O-CB 3.23Å; A192-S510 WeakPolarHBondContact O-CB 3.26Å; R506-S510 PolarHBondContact O-N 3.3Å; F507-S510 WeakPolarHBondContact O-CA 3.44Å; F507-S510 WeakPolarHBondContact O-CB 3.19Å; F507-S510 PolarHBondContact O-N 2.81Å; F507-S510 PolarHBondContact O-OG 3.16Å; S510-R512 PolarHBondContact O-N 2.97Å; S510-V513 WeakPolarHBondContact O-CB 3.27Å; S510-V513 PolarHBondContact O-N 3.37Å; S510-F656 VanDerWaalsContact O-CE1 3.31Å; S510-F656 WeakPolarHBondContact O-CE1 3.48Å
511	L	94.2	Very high	93.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-21.3	177.1	-66.4	-177.8	0	0	0	114	F507 L509 V513 L514 E515 L528 L532 F656	F507-L511 HydrophobicContact CD1-CD1 4.29Å; F507-L511 HydrophobicContact CE1-CD1 3.78Å; F507-L511 HydrophobicContact CE1-CD2 4.26Å; F507-L511 HydrophobicContact CE1-CG 4.19Å; F507-L511 HydrophobicContact CE2-CD2 4.04Å; F507-L511 HydrophobicContact CE2-CG 4.5Å; F507-L511 HydrophobicContact CZ-CD1 4.15Å; F507-L511 HydrophobicContact CZ-CD2 3.78Å; F507-L511 HydrophobicContact CZ-CG 4.18Å; F507-L511 PolarHBondContact O-N 3Å; L509-L511 VanDerWaalsContact C-N 3.3Å; L509-L511 PolarHBondContact O-N 2.96Å; L511-V513 PolarHBondContact O-N 3.26Å; L511-L514 HydrophobicContact CD2-CD2 4.28Å; L511-L514 PolarHBondContact O-N 3.03Å; L511-L514 VanDerWaalsContact O-N 3.12Å; L511-E515 WeakPolarHBondContact O-CG 3.33Å; L511-E515 PolarHBondContact O-N 2.88Å; L511-L528 HydrophobicContact CB-CD2 4.22Å; L511-L528 HydrophobicContact CD1-CD2 3.95Å; L511-L528 HydrophobicContact CD1-CG 4.16Å; L511-L528 HydrophobicContact CD2-CD2 4.28Å; L511-L528 HydrophobicContact CD2-CG 4.45Å; L511-L528 HydrophobicContact CG-CD2 4.38Å; L511-L532 HydrophobicContact CD2-CD1 3.42Å; L511-L532 VanDerWaalsContact CD2-CD1 3.42Å; L511-F656 HydrophobicContact CD2-CD1 4.2Å
512	R	92.2	Very high	93.3	Very high	104 Å²	104	36.6 Å²	36.6	39%	0.392	17%	0.173	S	C	.	.	H	α-helix	trans	-59.9	-34.6	172.4	-67.4	-178	175.1	163.7	-0.8	112	L509 S510 Q516	L509-R512 WeakPolarHBondContact O-CB 3.31Å; L509-R512 PolarHBondContact O-N 3.39Å; S510-R512 PolarHBondContact O-N 2.97Å; R512-Q516 WeakPolarHBondContact O-CB 3.23Å; R512-Q516 WeakPolarHBondContact O-CG 3.26Å; R512-Q516 PolarHBondContact O-N 3.3Å
513	V	93.6	Very high	93.1	Very high	28 Å²	28	41 Å²	41	17%	0.17	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-41.9	176.1	-178.5	0	0	0	0	110.3	A192 S510 L511 Q516 R517 F656	A192-V513 HydrophobicContact CB-CG1 4.49Å; S510-V513 WeakPolarHBondContact O-CB 3.27Å; S510-V513 PolarHBondContact O-N 3.37Å; L511-V513 PolarHBondContact O-N 3.26Å; V513-Q516 PolarHBondContact O-N 3.12Å; V513-R517 WeakPolarHBondContact O-CG 3.36Å; V513-R517 PolarHBondContact O-N 3.42Å; V513-F656 HydrophobicContact CB-CE1 4.34Å; V513-F656 HydrophobicContact CB-CZ 4.07Å; V513-F656 HydrophobicContact CG1-CZ 4.16Å
514	L	94.4	Very high	92.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-47.7	176.4	-177.1	60.1	0	0	0	111.1	L511 Q516 R517 L518 L528 L532 F656	L511-L514 HydrophobicContact CD2-CD2 4.28Å; L511-L514 PolarHBondContact O-N 3.03Å; L511-L514 VanDerWaalsContact O-N 3.12Å; L514-Q516 VanDerWaalsContact C-N 3.28Å; L514-Q516 PolarHBondContact O-N 2.73Å; L514-R517 WeakPolarHBondContact O-CB 3.24Å; L514-R517 PolarHBondContact O-N 3.39Å; L514-R517 VanDerWaalsContact O-N 3.08Å; L514-L518 HydrophobicContact CD1-CD1 4.2Å; L514-L518 HydrophobicContact CD1-CG 4.2Å; L514-L518 HydrophobicContact CG-CD1 3.96Å; L514-L518 HydrophobicContact CG-CG 4.37Å; L514-L518 VanDerWaalsContact O-CG 3.31Å; L514-L518 WeakPolarHBondContact O-CG 3.46Å; L514-L518 PolarHBondContact O-N 3.48Å; L514-L528 HydrophobicContact CD2-CD1 4.17Å; L514-L532 HydrophobicContact CD2-CD1 4.01Å; L514-L532 HydrophobicContact CD2-CD2 4.37Å; L514-F656 HydrophobicContact CB-CD1 4.2Å; L514-F656 HydrophobicContact CB-CD2 4.16Å; L514-F656 HydrophobicContact CB-CE1 3.94Å; L514-F656 HydrophobicContact CB-CE2 3.89Å; L514-F656 HydrophobicContact CB-CG 4.31Å; L514-F656 HydrophobicContact CB-CZ 3.78Å; L514-F656 HydrophobicContact CD1-CD2 4Å; L514-F656 HydrophobicContact CD1-CE2 3.94Å; L514-F656 HydrophobicContact CD2-CB 4.41Å; L514-F656 HydrophobicContact CD2-CD2 4.2Å; L514-F656 HydrophobicContact CD2-CG 4.19Å; L514-F656 HydrophobicContact CG-CD2 4.35Å; L514-F656 HydrophobicContact CG-CE2 4.38Å
515	E	94.3	Very high	92.8	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.075	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-38.6	176.3	-71.8	176.6	124.4	0	0	112.3	L511 L518 Q519 Y520 S521 F522 R525 L528	L511-E515 WeakPolarHBondContact O-CG 3.33Å; L511-E515 PolarHBondContact O-N 2.88Å; E515-L518 PolarHBondContact O-N 2.97Å; E515-Q519 PolarHBondContact O-N 2.73Å; E515-Y520 VanDerWaalsContact CA-O 3.3Å; E515-Y520 WeakPolarHBondContact CA-O 3.44Å; E515-Y520 VanDerWaalsContact CB-O 3.24Å; E515-Y520 WeakPolarHBondContact CB-O 3.46Å; E515-Y520 PolarHBondContact O-N 3.07Å; E515-Y520 VanDerWaalsContact O-N 3.08Å; E515-S521 PolarHBondContact OE1-OG 3.32Å; E515-F522 HydrophobicContact CG-CD2 4.42Å; E515-F522 PolarHBondContact OE1-N 3.11Å; E515-R525 IonicContact OE1-NE 3.03Å; E515-R525 IonicContact OE2-CZ 2.69Å; E515-R525 IonicContact OE2-NE 2.68Å; E515-R525 PolarHBondContact OE2-NE 2.92Å; E515-R525 IonicContact OE2-NH2 3.5Å; E515-R525 PolarHBondContact OE2-NH2 2.6Å; E515-L528 HydrophobicContact CG-CD2 4.19Å
516	Q	93.6	Very high	92.7	Very high	144 Å²	144	43.9 Å²	43.9	67%	0.673	23%	0.225	S	C	*	.	H	α-helix	trans	-63.6	-44.6	172.7	-76.4	170.7	-8.2	0	0	112.2	R512 V513 L514 L518 Q519	R512-Q516 WeakPolarHBondContact O-CB 3.23Å; R512-Q516 WeakPolarHBondContact O-CG 3.26Å; R512-Q516 PolarHBondContact O-N 3.3Å; V513-Q516 PolarHBondContact O-N 3.12Å; L514-Q516 VanDerWaalsContact C-N 3.28Å; L514-Q516 PolarHBondContact O-N 2.73Å; Q516-L518 VanDerWaalsContact C-N 3.33Å; Q516-L518 PolarHBondContact O-N 3.18Å; Q516-Q519 PolarHBondContact O-N 3.22Å; Q516-Q519 VanDerWaalsContact O-N 3.16Å
517	R	93.6	Very high	92.6	Very high	104 Å²	104	43.7 Å²	43.7	39%	0.392	23%	0.225	S	C	.	.	H	α-helix	trans	-63.6	-37.6	176.5	-71	177.8	-172.5	169.7	5.3	112.2	V513 L514 Q519 I651 E655	V513-R517 WeakPolarHBondContact O-CG 3.36Å; V513-R517 PolarHBondContact O-N 3.42Å; L514-R517 WeakPolarHBondContact O-CB 3.24Å; L514-R517 PolarHBondContact O-N 3.39Å; L514-R517 VanDerWaalsContact O-N 3.08Å; R517-Q519 VanDerWaalsContact C-N 3.27Å; R517-I651 WeakPolarHBondContact CD-O 3.47Å; R517-I651 PolarHBondContact NH1-O 3.43Å; R517-E655 IonicContact CZ-OE2 3.61Å; R517-E655 VanDerWaalsContact CZ-OE2 3.32Å; R517-E655 IonicContact NH1-OE2 3.81Å; R517-E655 PolarHBondContact NH1-OE2 3.27Å; R517-E655 IonicContact NH2-OE2 3.19Å; R517-E655 PolarHBondContact NH2-OE2 3.49Å
518	L	92.8	Very high	92.7	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-78.2	-11.8	176.7	-62	175	0	0	0	113	L514 E515 Q516 Y520 F522 I651 L682 V698	L514-L518 HydrophobicContact CD1-CD1 4.2Å; L514-L518 HydrophobicContact CD1-CG 4.2Å; L514-L518 HydrophobicContact CG-CD1 3.96Å; L514-L518 HydrophobicContact CG-CG 4.37Å; L514-L518 VanDerWaalsContact O-CG 3.31Å; L514-L518 WeakPolarHBondContact O-CG 3.46Å; L514-L518 PolarHBondContact O-N 3.48Å; E515-L518 PolarHBondContact O-N 2.97Å; Q516-L518 VanDerWaalsContact C-N 3.33Å; Q516-L518 PolarHBondContact O-N 3.18Å; L518-Y520 PolarHBondContact O-N 3Å; L518-F522 HydrophobicContact CD1-CE2 4.31Å; L518-I651 HydrophobicContact CD2-CD1 4.29Å; L518-L682 HydrophobicContact CD1-CD1 4.18Å; L518-L682 HydrophobicContact CD1-CD2 4.2Å; L518-L682 HydrophobicContact CD2-CD2 4.21Å; L518-V698 HydrophobicContact CD2-CG1 3.76Å
519	Q	92.6	Very high	92.7	Very high	150 Å²	150	44.3 Å²	44.3	70%	0.701	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	37.3	-170.6	-55.3	180	5.7	0	0	112.1	E515 Q516 R517 R697	E515-Q519 PolarHBondContact O-N 2.73Å; Q516-Q519 PolarHBondContact O-N 3.22Å; Q516-Q519 VanDerWaalsContact O-N 3.16Å; R517-Q519 VanDerWaalsContact C-N 3.27Å; Q519-R697 PolarHBondContact O-NH2 3.18Å
520	Y	94	Very high	92.8	Very high	35 Å²	35	44.4 Å²	44.4	14%	0.137	23%	0.229	C	C	.	.			trans	-147.6	130.4	-178.9	-178.8	-100.3	0	0	0	109.7	E515 L518 F522 L686 D689 G690 V694	E515-Y520 VanDerWaalsContact CA-O 3.3Å; E515-Y520 WeakPolarHBondContact CA-O 3.44Å; E515-Y520 VanDerWaalsContact CB-O 3.24Å; E515-Y520 WeakPolarHBondContact CB-O 3.46Å; E515-Y520 PolarHBondContact O-N 3.07Å; E515-Y520 VanDerWaalsContact O-N 3.08Å; L518-Y520 PolarHBondContact O-N 3Å; Y520-F522 AromaticContact CD1-CD2 3.8Å; Y520-F522 HydrophobicContact CD1-CD2 3.8Å; Y520-F522 AromaticContact CD1-CE2 3.88Å; Y520-F522 HydrophobicContact CD1-CE2 3.88Å; Y520-F522 HydrophobicContact CD1-CG 4.3Å; Y520-F522 HydrophobicContact CD1-CZ 4.44Å; Y520-F522 HydrophobicContact CE1-CD1 4.18Å; Y520-F522 AromaticContact CE1-CD2 3.93Å; Y520-F522 HydrophobicContact CE1-CD2 3.93Å; Y520-F522 HydrophobicContact CE1-CE1 4.42Å; Y520-F522 HydrophobicContact CE1-CE2 4.18Å; Y520-F522 AromaticContact CE1-CG 3.96Å; Y520-F522 HydrophobicContact CE1-CG 3.96Å; Y520-F522 HydrophobicContact CE1-CZ 4.44Å; Y520-L686 HydrophobicContact CD1-CD2 3.35Å; Y520-L686 HydrophobicContact CE1-CD2 3.73Å; Y520-L686 HydrophobicContact CG-CD2 4.02Å; Y520-D689 WeakPolarHBondContact CE1-OD2 3.43Å; Y520-D689 PolarHBondContact OH-OD2 3.1Å; Y520-G690 VanDerWaalsContact OH-CA 3.23Å; Y520-G690 WeakPolarHBondContact OH-CA 3.47Å; Y520-G690 PolarHBondContact OH-N 2.83Å; Y520-V694 HydrophobicContact CD1-CG1 4.48Å; Y520-V694 HydrophobicContact CD2-CG1 3.37Å; Y520-V694 HydrophobicContact CD2-CG2 4.44Å; Y520-V694 HydrophobicContact CE2-CB 4.45Å; Y520-V694 HydrophobicContact CE2-CG1 3.58Å; Y520-V694 HydrophobicContact CE2-CG2 4.16Å; Y520-V694 HydrophobicContact CG-CG1 3.87Å
521	S	93.1	Very high	92.9	Very high	84 Å²	84	44.2 Å²	44.2	59%	0.587	23%	0.228	S	C	*	.			trans	-103.2	126.7	173.9	-169.4	0	0	0	0	109.3	E515	E515-S521 PolarHBondContact OE1-OG 3.32Å
522	F	92.4	Very high	93	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.022	23%	0.228	C	C	.	.			trans	-74	133.2	-178.9	-83.3	-102.2	0	0	0	110.8	E515 L518 Y520 L528 L682 A685 L686 D689	E515-F522 HydrophobicContact CG-CD2 4.42Å; E515-F522 PolarHBondContact OE1-N 3.11Å; L518-F522 HydrophobicContact CD1-CE2 4.31Å; Y520-F522 AromaticContact CD1-CD2 3.8Å; Y520-F522 HydrophobicContact CD1-CD2 3.8Å; Y520-F522 AromaticContact CD1-CE2 3.88Å; Y520-F522 HydrophobicContact CD1-CE2 3.88Å; Y520-F522 HydrophobicContact CD1-CG 4.3Å; Y520-F522 HydrophobicContact CD1-CZ 4.44Å; Y520-F522 HydrophobicContact CE1-CD1 4.18Å; Y520-F522 AromaticContact CE1-CD2 3.93Å; Y520-F522 HydrophobicContact CE1-CD2 3.93Å; Y520-F522 HydrophobicContact CE1-CE1 4.42Å; Y520-F522 HydrophobicContact CE1-CE2 4.18Å; Y520-F522 AromaticContact CE1-CG 3.96Å; Y520-F522 HydrophobicContact CE1-CG 3.96Å; Y520-F522 HydrophobicContact CE1-CZ 4.44Å; F522-L528 HydrophobicContact CB-CB 4.49Å; F522-L528 HydrophobicContact CD1-CB 4.12Å; F522-L528 HydrophobicContact CD2-CB 4.23Å; F522-L528 HydrophobicContact CD2-CD1 4.19Å; F522-L528 HydrophobicContact CD2-CD2 3.78Å; F522-L528 HydrophobicContact CD2-CG 4.29Å; F522-L528 HydrophobicContact CE1-CB 4.36Å; F522-L528 HydrophobicContact CE2-CB 4.47Å; F522-L528 HydrophobicContact CE2-CD1 3.74Å; F522-L528 HydrophobicContact CE2-CD2 4.15Å; F522-L528 HydrophobicContact CE2-CG 4.33Å; F522-L528 HydrophobicContact CG-CB 4.02Å; F522-L528 HydrophobicContact CG-CD2 4.26Å; F522-L528 HydrophobicContact CZ-CD1 3.92Å; F522-L682 HydrophobicContact CE2-CD1 4.46Å; F522-L682 HydrophobicContact CZ-CD1 4.1Å; F522-A685 HydrophobicContact CE1-CB 4.12Å; F522-L686 HydrophobicContact CE1-CD2 4.16Å; F522-L686 HydrophobicContact CE1-CG 4.44Å; F522-L686 HydrophobicContact CE2-CD2 3.69Å; F522-L686 HydrophobicContact CE2-CG 4.36Å; F522-L686 HydrophobicContact CZ-CD2 3.4Å; F522-L686 VanDerWaalsContact CZ-CD2 3.4Å; F522-L686 HydrophobicContact CZ-CG 3.69Å; F522-D689 WeakPolarHBondContact CA-OD2 3.27Å; F522-D689 HydrophobicContact CD1-CB 3.9Å; F522-D689 HydrophobicContact CE1-CB 4.14Å
523	S	89.5	Confident	93	Very high	101 Å²	101	39.9 Å²	39.9	71%	0.706	21%	0.212	S	C	*	.	S	Bend	trans	-68.8	-40.2	171.6	-60.9	0	0	0	0	110.4	D689	S523-D689 PolarHBondContact N-OD1 2.99Å; S523-D689 PolarHBondContact N-OD2 3.21Å
524	D	88.7	Confident	92.9	Very high	39 Å²	39	40.3 Å²	40.3	21%	0.209	21%	0.213	C	C	.	.			trans	-110.9	100.3	173.8	-176.6	4.5	0	0	0	112.4	R26 A526 L527 L528 D689	R26-D524 IonicContact CZ-OD2 3.43Å; R26-D524 IonicContact NH1-OD2 2.72Å; R26-D524 PolarHBondContact NH1-OD2 3.24Å; D524-A526 VanDerWaalsContact C-N 3.26Å; D524-A526 PolarHBondContact O-N 3.41Å; D524-A526 WeakPolarHBondContact OD1-CA 3.47Å; D524-A526 VanDerWaalsContact OD1-CB 3.23Å; D524-A526 WeakPolarHBondContact OD1-CB 3.45Å; D524-A526 PolarHBondContact OD1-N 3.36Å; D524-L527 HydrophobicContact CB-CB 4.21Å; D524-L527 WeakPolarHBondContact O-CB 3.45Å; D524-L527 PolarHBondContact O-N 3.03Å; D524-L527 PolarHBondContact OD1-N 3.22Å; D524-L528 PolarHBondContact O-N 2.63Å; D524-D689 PolarHBondContact N-OD1 3.17Å; D524-D689 VanDerWaalsContact N-OD1 3.16Å
525	R	91	Very high	92.6	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-69.9	-18.5	176.2	-77.2	-174.1	145.8	-146.6	-12.1	114.4	T255 H508 E515 L527 L528 E529	T255-R525 WeakPolarHBondContact OG1-CD 3.44Å; H508-R525 PolarHBondContact O-NH1 2.9Å; H508-R525 PolarHBondContact O-NH2 3.04Å; E515-R525 IonicContact OE1-NE 3.03Å; E515-R525 IonicContact OE2-CZ 2.69Å; E515-R525 IonicContact OE2-NE 2.68Å; E515-R525 PolarHBondContact OE2-NE 2.92Å; E515-R525 IonicContact OE2-NH2 3.5Å; E515-R525 PolarHBondContact OE2-NH2 2.6Å; R525-L527 VanDerWaalsContact C-N 3.29Å; R525-L528 PolarHBondContact O-N 3.43Å; R525-E529 PolarHBondContact O-N 3.21Å
526	A	90.3	Very high	92.1	Very high	37 Å²	37	42.3 Å²	42.3	31%	0.306	23%	0.228	S	C	.	.	H	α-helix	trans	-68	-35.6	173.1	0	0	0	0	0	110.8	P257 D524 E529 L530	P257-A526 HydrophobicContact CB-CB 3.9Å; P257-A526 HydrophobicContact CG-CB 4.1Å; D524-A526 VanDerWaalsContact C-N 3.26Å; D524-A526 PolarHBondContact O-N 3.41Å; D524-A526 WeakPolarHBondContact OD1-CA 3.47Å; D524-A526 VanDerWaalsContact OD1-CB 3.23Å; D524-A526 WeakPolarHBondContact OD1-CB 3.45Å; D524-A526 PolarHBondContact OD1-N 3.36Å; A526-E529 PolarHBondContact O-N 3.26Å; A526-L530 WeakPolarHBondContact O-CB 3.33Å; A526-L530 PolarHBondContact O-N 3.29Å
527	L	92.8	Very high	91.7	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-42.2	174.9	-174.6	65.6	0	0	0	111.7	D524 R525 L530 A531 L603 A685 L688 D689	D524-L527 HydrophobicContact CB-CB 4.21Å; D524-L527 WeakPolarHBondContact O-CB 3.45Å; D524-L527 PolarHBondContact O-N 3.03Å; D524-L527 PolarHBondContact OD1-N 3.22Å; R525-L527 VanDerWaalsContact C-N 3.29Å; L527-L530 WeakPolarHBondContact O-CB 3.42Å; L527-L530 PolarHBondContact O-N 3.06Å; L527-A531 PolarHBondContact O-N 3.21Å; L527-L603 HydrophobicContact CD1-CD1 4.16Å; L527-L603 HydrophobicContact CD1-CD2 4.03Å; L527-A685 HydrophobicContact CD1-CB 4.49Å; L527-A685 HydrophobicContact CD2-CB 4.29Å; L527-A685 WeakPolarHBondContact CD2-O 3.28Å; L527-A685 HydrophobicContact CG-CB 3.94Å; L527-L688 HydrophobicContact CD1-CD1 4.44Å; L527-L688 HydrophobicContact CD2-CB 4Å; L527-D689 HydrophobicContact CD2-CB 4.11Å
528	L	94.8	Very high	90.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-45.7	174.7	178.4	57.1	0	0	0	111.8	L511 L514 E515 F522 D524 R525 L530 A531 L532 L682	L511-L528 HydrophobicContact CB-CD2 4.22Å; L511-L528 HydrophobicContact CD1-CD2 3.95Å; L511-L528 HydrophobicContact CD1-CG 4.16Å; L511-L528 HydrophobicContact CD2-CD2 4.28Å; L511-L528 HydrophobicContact CD2-CG 4.45Å; L511-L528 HydrophobicContact CG-CD2 4.38Å; L514-L528 HydrophobicContact CD2-CD1 4.17Å; E515-L528 HydrophobicContact CG-CD2 4.19Å; F522-L528 HydrophobicContact CB-CB 4.49Å; F522-L528 HydrophobicContact CD1-CB 4.12Å; F522-L528 HydrophobicContact CD2-CB 4.23Å; F522-L528 HydrophobicContact CD2-CD1 4.19Å; F522-L528 HydrophobicContact CD2-CD2 3.78Å; F522-L528 HydrophobicContact CD2-CG 4.29Å; F522-L528 HydrophobicContact CE1-CB 4.36Å; F522-L528 HydrophobicContact CE2-CB 4.47Å; F522-L528 HydrophobicContact CE2-CD1 3.74Å; F522-L528 HydrophobicContact CE2-CD2 4.15Å; F522-L528 HydrophobicContact CE2-CG 4.33Å; F522-L528 HydrophobicContact CG-CB 4.02Å; F522-L528 HydrophobicContact CG-CD2 4.26Å; F522-L528 HydrophobicContact CZ-CD1 3.92Å; D524-L528 PolarHBondContact O-N 2.63Å; R525-L528 PolarHBondContact O-N 3.43Å; L528-L530 VanDerWaalsContact C-N 3.3Å; L528-L530 PolarHBondContact O-N 2.91Å; L528-A531 PolarHBondContact O-N 3.19Å; L528-L532 HydrophobicContact CD1-CD1 4.19Å; L528-L532 HydrophobicContact CG-CD1 4.33Å; L528-L532 WeakPolarHBondContact O-CG 3.25Å; L528-L532 PolarHBondContact O-N 3.4Å; L528-L682 HydrophobicContact CD1-CD1 3.72Å
529	E	94.1	Very high	90.1	Very high	17 Å²	17	36.3 Å²	36.3	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-59.2	-42.3	174	175.2	179.6	161.1	0	0	111.7	R259 H504 F507 H508 R525 A526 A531 L532 T533 L658	R259-E529 IonicContact CZ-OE1 2.74Å; R259-E529 IonicContact NH1-OE1 2.75Å; R259-E529 PolarHBondContact NH1-OE1 3.05Å; R259-E529 IonicContact NH2-OE1 2.82Å; R259-E529 PolarHBondContact NH2-OE1 2.81Å; H504-E529 IonicContact CE1-OE2 3.7Å; H504-E529 PolarHBondContact CE1-OE2 3.31Å; H504-E529 IonicContact ND1-OE2 2.77Å; F507-E529 HydrophobicContact CE1-CB 4.07Å; F507-E529 HydrophobicContact CE1-CG 3.83Å; H508-E529 IonicContact CD2-OE2 3.47Å; H508-E529 IonicContact CE1-OE2 3.68Å; H508-E529 IonicContact NE2-OE2 3.46Å; H508-E529 PolarHBondContact NE2-OE2 3.19Å; R525-E529 PolarHBondContact O-N 3.21Å; A526-E529 PolarHBondContact O-N 3.26Å; E529-A531 VanDerWaalsContact C-N 3.35Å; E529-A531 PolarHBondContact O-N 3.11Å; E529-L532 PolarHBondContact O-N 2.89Å; E529-T533 PolarHBondContact O-N 3.03Å; E529-T533 PolarHBondContact O-OG1 3.35Å; E529-L658 HydrophobicContact CG-CD1 4.19Å
530	L	93	Very high	89.5	Confident	38 Å²	38	30 Å²	30	20%	0.199	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-42.7	178.8	-177.5	63.7	0	0	0	111.5	A526 L527 L528 L532 T533 N600 L603	A526-L530 WeakPolarHBondContact O-CB 3.33Å; A526-L530 PolarHBondContact O-N 3.29Å; L527-L530 WeakPolarHBondContact O-CB 3.42Å; L527-L530 PolarHBondContact O-N 3.06Å; L528-L530 VanDerWaalsContact C-N 3.3Å; L528-L530 PolarHBondContact O-N 2.91Å; L530-L532 PolarHBondContact O-N 3.46Å; L530-T533 PolarHBondContact O-N 2.88Å; L530-T533 VanDerWaalsContact O-N 3.11Å; L530-N600 WeakPolarHBondContact O-CB 3.33Å; L530-L603 HydrophobicContact CB-CD1 4.26Å; L530-L603 HydrophobicContact CD2-CD1 4.02Å; L530-L603 HydrophobicContact CG-CD1 3.92Å
531	A	95.9	Very high	88.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-34.5	177.1	0	0	0	0	0	112.8	L527 L528 E529 N600 L603 A681 A685	L527-A531 PolarHBondContact O-N 3.21Å; L528-A531 PolarHBondContact O-N 3.19Å; E529-A531 VanDerWaalsContact C-N 3.35Å; E529-A531 PolarHBondContact O-N 3.11Å; A531-N600 VanDerWaalsContact O-CB 3.25Å; A531-N600 WeakPolarHBondContact O-CB 3.44Å; A531-N600 PolarHBondContact O-ND2 3.37Å; A531-N600 VanDerWaalsContact O-ND2 3.14Å; A531-L603 HydrophobicContact CB-CD1 3.95Å; A531-A681 HydrophobicContact CB-CB 4.42Å; A531-A685 HydrophobicContact CB-CB 3.84Å
532	L	95.5	Very high	88.1	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.5	179.7	-62.4	170.5	0	0	0	113.6	F507 L511 L514 L528 E529 L530 L653 F656 L658	F507-L532 HydrophobicContact CZ-CB 4.39Å; F507-L532 HydrophobicContact CZ-CD1 3.86Å; L511-L532 HydrophobicContact CD2-CD1 3.42Å; L511-L532 VanDerWaalsContact CD2-CD1 3.42Å; L514-L532 HydrophobicContact CD2-CD1 4.01Å; L514-L532 HydrophobicContact CD2-CD2 4.37Å; L528-L532 HydrophobicContact CD1-CD1 4.19Å; L528-L532 HydrophobicContact CG-CD1 4.33Å; L528-L532 WeakPolarHBondContact O-CG 3.25Å; L528-L532 PolarHBondContact O-N 3.4Å; E529-L532 PolarHBondContact O-N 2.89Å; L530-L532 PolarHBondContact O-N 3.46Å; L532-L653 HydrophobicContact CD2-CD1 3.45Å; L532-L653 VanDerWaalsContact CD2-CD1 3.45Å; L532-L653 HydrophobicContact CD2-CG 4.36Å; L532-F656 HydrophobicContact CD1-CB 4.06Å; L532-F656 HydrophobicContact CD2-CB 4.28Å; L532-L658 PolarHBondContact O-N 3.32Å
533	T	93.3	Very high	87.8	Confident	11 Å²	11	28 Å²	28	7%	0.067	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-91.6	104.8	-175.3	-60	0	0	0	0	112.3	E529 L530 Y537 M598 N600	E529-T533 PolarHBondContact O-N 3.03Å; E529-T533 PolarHBondContact O-OG1 3.35Å; L530-T533 PolarHBondContact O-N 2.88Å; L530-T533 VanDerWaalsContact O-N 3.11Å; T533-Y537 HydrophobicContact CG2-CD1 3.95Å; T533-M598 VanDerWaalsContact CG2-O 3.26Å; T533-M598 WeakPolarHBondContact CG2-O 3.4Å; T533-N600 PolarHBondContact O-N 2.98Å; T533-N600 PolarHBondContact O-OD1 3.46Å
534	H	91.6	Very high	87.7	Confident	38 Å²	38	23.4 Å²	23.4	18%	0.176	12%	0.123	C	C	.	.			trans	-71.2	148	176.7	-176.7	-95.2	0	0	0	111.7	S536 Y537 L658	H534-S536 VanDerWaalsContact ND1-CB 3.34Å; H534-S536 WeakPolarHBondContact ND1-CB 3.34Å; H534-S536 PolarHBondContact ND1-N 3.33Å; H534-S536 VanDerWaalsContact ND1-N 3.1Å; H534-S536 PolarHBondContact ND1-OG 2.89Å; H534-S536 PolarHBondContact O-N 3.08Å; H534-Y537 WeakPolarHBondContact O-CB 3.33Å; H534-Y537 PolarHBondContact O-N 2.79Å; H534-L658 WeakPolarHBondContact CB-O 3.3Å; H534-L658 PolarHBondContact N-O 3.45Å
535	P	87.2	Confident	87.7	Confident	18 Å²	18	22.7 Å²	22.7	12%	0.117	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.4	-179.9	-29.1	37.5	0	0	0	116.1	R538 N599 E601	P535-R538 PolarHBondContact O-NH1 2.99Å; P535-N599 HydrophobicContact CB-CB 4.38Å; P535-N599 HydrophobicContact CG-CB 4.13Å; P535-E601 HydrophobicContact CG-CG 3.58Å; P535-E601 WeakPolarHBondContact CG-OE1 3.25Å
536	S	83.4	Confident	87.6	Confident	40 Å²	40	23.1 Å²	23.1	28%	0.28	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-22.3	174.8	72	0	0	0	0	113.2	H534 V660 L665	H534-S536 VanDerWaalsContact ND1-CB 3.34Å; H534-S536 WeakPolarHBondContact ND1-CB 3.34Å; H534-S536 PolarHBondContact ND1-N 3.33Å; H534-S536 VanDerWaalsContact ND1-N 3.1Å; H534-S536 PolarHBondContact ND1-OG 2.89Å; H534-S536 PolarHBondContact O-N 3.08Å; S536-V660 PolarHBondContact OG-N 2.9Å; S536-L665 VanDerWaalsContact OG-CD1 3.28Å; S536-L665 WeakPolarHBondContact OG-CD1 3.48Å
537	Y	85.2	Confident	87.6	Confident	26 Å²	26	21.4 Å²	21.4	10%	0.102	11%	0.111	C	C	.	.			trans	-70.2	140.2	-176	-171.6	-106.6	0	0	0	112	H503 T533 H534 P539 L658 V660	H503-Y537 PolarHBondContact NE2-OH 3.07Å; T533-Y537 HydrophobicContact CG2-CD1 3.95Å; H534-Y537 WeakPolarHBondContact O-CB 3.33Å; H534-Y537 PolarHBondContact O-N 2.79Å; Y537-P539 HydrophobicContact CE1-CB 3.9Å; Y537-L658 WeakPolarHBondContact CB-O 3.2Å; Y537-L658 HydrophobicContact CD1-CB 4.01Å; Y537-L658 HydrophobicContact CD1-CD1 4.48Å; Y537-L658 HydrophobicContact CD2-CB 3.96Å; Y537-L658 HydrophobicContact CE1-CB 4.17Å; Y537-L658 HydrophobicContact CE1-CD1 4.08Å; Y537-L658 HydrophobicContact CE2-CB 4.12Å; Y537-L658 HydrophobicContact CE2-CD2 4.35Å; Y537-L658 HydrophobicContact CG-CB 3.9Å; Y537-V660 HydrophobicContact CD2-CG2 4.42Å
538	R	78.8	Confident	87.6	Confident	93 Å²	93	21 Å²	21	35%	0.351	11%	0.109	S	C	.	.			trans	-133.6	114.9	174.9	-66.5	-66	-179.1	-83.7	2.9	107.7	P535 N540 Q571	P535-R538 PolarHBondContact O-NH1 2.99Å; R538-N540 PolarHBondContact O-N 3.16Å; R538-Q571 PolarHBondContact NH2-O 3.38Å
539	P	75.1	Confident	87.4	Confident	11 Å²	11	26.6 Å²	26.6	7%	0.071	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	9.5	-171.4	31.4	-37.7	0	0	0	114.7	R259 V500 Y537 Y541	R259-P539 VanDerWaalsContact NH2-CG 3.35Å; V500-P539 WeakPolarHBondContact CG1-O 3.37Å; Y537-P539 HydrophobicContact CE1-CB 3.9Å; P539-Y541 PolarHBondContact O-N 2.94Å
540	N	79.2	Confident	87.4	Confident	18 Å²	18	25.9 Å²	25.9	10%	0.096	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-20	-165.4	-66.2	-24	0	0	0	114.3	I262 R538	I262-N540 PolarHBondContact N-OD1 3.48Å; I262-N540 VanDerWaalsContact O-CG 3.26Å; I262-N540 PolarHBondContact O-ND2 3.47Å; I262-N540 PolarHBondContact O-OD1 2.98Å; R538-N540 PolarHBondContact O-N 3.16Å
541	Y	77.5	Confident	87.4	Confident	53 Å²	53	24.2 Å²	24.2	21%	0.208	12%	0.118	C	C	.	.			trans	-120.6	-29.7	-167.5	-61.2	-69.9	0	0	0	113.7	P539 T543 A545 I548 R549	P539-Y541 PolarHBondContact O-N 2.94Å; Y541-T543 PolarHBondContact O-N 3.43Å; Y541-A545 HydrophobicContact CD1-CB 4.38Å; Y541-A545 HydrophobicContact CD2-CB 3.71Å; Y541-A545 HydrophobicContact CE2-CB 4.36Å; Y541-A545 HydrophobicContact CG-CB 3.73Å; Y541-I548 HydrophobicContact CD1-CB 3.68Å; Y541-I548 HydrophobicContact CD1-CG1 4.16Å; Y541-I548 HydrophobicContact CD1-CG2 3.59Å; Y541-I548 HydrophobicContact CE1-CB 4.33Å; Y541-I548 HydrophobicContact CE1-CG2 3.99Å; Y541-R549 HydrophobicContact CE1-CG 4.2Å
542	A	81.6	Confident	87.2	Confident	17 Å²	17	25.7 Å²	25.7	14%	0.14	13%	0.126	C	C	.	.	S	Bend	trans	55.2	-31.4	-179.1	0	0	0	0	0	116.7	Y189 V500 H503	Y189-A542 VanDerWaalsContact CE1-O 3.32Å; Y189-A542 WeakPolarHBondContact CE1-O 3.46Å; V500-A542 HydrophobicContact CB-CB 4.23Å; V500-A542 HydrophobicContact CG1-CB 4.44Å; V500-A542 HydrophobicContact CG2-CB 4.08Å; H503-A542 HydrophobicContact CB-CB 3.59Å
543	T	85	Confident	87	Confident	13 Å²	13	26.2 Å²	26.2	8%	0.08	13%	0.13	C	C	.	.	S	Bend	trans	-112.2	-166.2	167.9	-170.3	0	0	0	0	112	Y189 D302 V303 I499 Y541 A545 I548	Y189-T543 VanDerWaalsContact OH-C 3.32Å; Y189-T543 WeakPolarHBondContact OH-CA 3.39Å; Y189-T543 WeakPolarHBondContact OH-CB 3.3Å; Y189-T543 PolarHBondContact OH-OG1 3.36Å; D302-T543 PolarHBondContact O-OG1 2.9Å; V303-T543 HydrophobicContact CG2-CG2 3.91Å; I499-T543 HydrophobicContact CG2-CG2 4Å; Y541-T543 PolarHBondContact O-N 3.43Å; T543-A545 PolarHBondContact O-N 3.2Å; T543-I548 HydrophobicContact CG2-CD1 3.6Å; T543-I548 HydrophobicContact CG2-CG1 3.72Å
544	N	88.1	Confident	87	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.021	13%	0.128	C	C	.	.			trans	-50.9	112.7	172.2	-175.1	-19.1	0	0	0	110.8	E168 V174 Y189 D302 D546 H547 I548	E168-N544 PolarHBondContact O-ND2 3.2Å; V174-N544 HydrophobicContact CG2-CB 4.44Å; V174-N544 WeakPolarHBondContact CG2-ND2 3.23Å; Y189-N544 PolarHBondContact OH-N 2.86Å; D302-N544 HydrophobicContact CB-CB 4.16Å; D302-N544 WeakPolarHBondContact OD2-CB 3.23Å; D302-N544 PolarHBondContact OD2-ND2 3.41Å; N544-D546 PolarHBondContact O-N 3.44Å; N544-D546 PolarHBondContact OD1-N 3.42Å; N544-D546 VanDerWaalsContact OD1-N 3.16Å; N544-H547 HydrophobicContact CB-CB 4.19Å; N544-H547 PolarHBondContact ND2-CD2 2.9Å; N544-H547 PolarHBondContact ND2-NE2 2.84Å; N544-H547 VanDerWaalsContact ND2-NE2 3.12Å; N544-H547 WeakPolarHBondContact O-CB 3.49Å; N544-H547 PolarHBondContact O-N 3.33Å; N544-H547 VanDerWaalsContact O-N 3.08Å; N544-I548 PolarHBondContact O-N 2.85Å
545	A	87.9	Confident	87	Confident	24 Å²	24	24.2 Å²	24.2	20%	0.198	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-30.1	-173.2	0	0	0	0	0	112.8	Y541 T543 R549	Y541-A545 HydrophobicContact CD1-CB 4.38Å; Y541-A545 HydrophobicContact CD2-CB 3.71Å; Y541-A545 HydrophobicContact CE2-CB 4.36Å; Y541-A545 HydrophobicContact CG-CB 3.73Å; T543-A545 PolarHBondContact O-N 3.2Å; A545-R549 WeakPolarHBondContact O-CB 3.32Å; A545-R549 WeakPolarHBondContact O-CG 3.31Å; A545-R549 PolarHBondContact O-N 3.38Å; A545-R549 VanDerWaalsContact O-N 3.1Å
546	D	88.6	Confident	87.2	Confident	16 Å²	16	23.4 Å²	23.4	9%	0.086	12%	0.115	C	C	.	.	H	α-helix	trans	-74.3	-34.6	177.6	-80	-4.1	0	0	0	111.8	N170 N544 I548 R549 N550	N170-D546 VanDerWaalsContact CB-OD2 3.26Å; N170-D546 WeakPolarHBondContact CB-OD2 3.26Å; N170-D546 PolarHBondContact N-OD2 3.43Å; N170-D546 PolarHBondContact ND2-OD2 3.22Å; N544-D546 PolarHBondContact O-N 3.44Å; N544-D546 PolarHBondContact OD1-N 3.42Å; N544-D546 VanDerWaalsContact OD1-N 3.16Å; D546-I548 VanDerWaalsContact C-N 3.35Å; D546-I548 PolarHBondContact O-N 2.96Å; D546-R549 PolarHBondContact O-N 3.38Å; D546-R549 IonicContact OD1-CZ 3.19Å; D546-R549 IonicContact OD1-NH1 3.44Å; D546-R549 PolarHBondContact OD1-NH1 2.93Å; D546-N550 VanDerWaalsContact O-CB 3.28Å; D546-N550 WeakPolarHBondContact O-CB 3.26Å; D546-N550 PolarHBondContact O-N 3.24Å; D546-N550 PolarHBondContact O-ND2 2.93Å; D546-N550 PolarHBondContact O-OD1 3.23Å
547	H	91.9	Very high	87.4	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-57.8	-50.5	173	-71.6	-164.7	0	0	0	110.7	N164 E165 E168 L300 D302 N544 R549 N550 T551	N164-H547 HydrophobicContact CB-CB 4.41Å; N164-H547 WeakPolarHBondContact ND2-CA 3.45Å; N164-H547 PolarHBondContact ND2-O 3.44Å; N164-H547 WeakPolarHBondContact OD1-CA 3.24Å; E165-H547 PolarHBondContact O-CE1 2.97Å; E165-H547 VanDerWaalsContact O-CE1 3.29Å; E165-H547 PolarHBondContact O-NE2 3.33Å; E168-H547 PolarHBondContact O-NE2 3.09Å; L300-H547 HydrophobicContact CD2-CB 4.27Å; D302-H547 IonicContact OD1-CE1 3.35Å; D302-H547 IonicContact OD2-CE1 3.91Å; D302-H547 PolarHBondContact OD2-CE1 2.78Å; D302-H547 IonicContact OD2-ND1 3.36Å; D302-H547 IonicContact OD2-NE2 3.95Å; N544-H547 HydrophobicContact CB-CB 4.19Å; N544-H547 PolarHBondContact ND2-CD2 2.9Å; N544-H547 PolarHBondContact ND2-NE2 2.84Å; N544-H547 VanDerWaalsContact ND2-NE2 3.12Å; N544-H547 WeakPolarHBondContact O-CB 3.49Å; N544-H547 PolarHBondContact O-N 3.33Å; N544-H547 VanDerWaalsContact O-N 3.08Å; H547-R549 VanDerWaalsContact C-N 3.33Å; H547-R549 PolarHBondContact O-N 3.27Å; H547-N550 PolarHBondContact O-N 3.07Å; H547-T551 WeakPolarHBondContact O-CB 3.31Å; H547-T551 PolarHBondContact O-N 2.9Å; H547-T551 PolarHBondContact O-OG1 2.81Å
548	I	92	Very high	87.4	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-40.4	178.7	-57.2	-64.4	0	0	0	112	L300 L496 I499 Y541 T543 N544 D546 L552	L300-I548 HydrophobicContact CD2-CD1 4.03Å; L496-I548 HydrophobicContact CD1-CG2 4.42Å; L496-I548 HydrophobicContact CD2-CD1 3.52Å; L496-I548 HydrophobicContact CD2-CG2 4.22Å; I499-I548 HydrophobicContact CD1-CD1 4.05Å; Y541-I548 HydrophobicContact CD1-CB 3.68Å; Y541-I548 HydrophobicContact CD1-CG1 4.16Å; Y541-I548 HydrophobicContact CD1-CG2 3.59Å; Y541-I548 HydrophobicContact CE1-CB 4.33Å; Y541-I548 HydrophobicContact CE1-CG2 3.99Å; T543-I548 HydrophobicContact CG2-CD1 3.6Å; T543-I548 HydrophobicContact CG2-CG1 3.72Å; N544-I548 PolarHBondContact O-N 2.85Å; D546-I548 VanDerWaalsContact C-N 3.35Å; D546-I548 PolarHBondContact O-N 2.96Å; I548-L552 VanDerWaalsContact O-CB 3.27Å; I548-L552 WeakPolarHBondContact O-CB 3.49Å; I548-L552 WeakPolarHBondContact O-CG 3.37Å; I548-L552 PolarHBondContact O-N 3.39Å
549	R	91.1	Very high	87.8	Confident	119 Å²	119	28.8 Å²	28.8	45%	0.449	13%	0.13	S	C	.	.	H	α-helix	trans	-69.8	-40.9	179.4	-74.2	170.5	-169.8	155.8	0.5	112.5	Y541 A545 D546 H547 L552 S553	Y541-R549 HydrophobicContact CE1-CG 4.2Å; A545-R549 WeakPolarHBondContact O-CB 3.32Å; A545-R549 WeakPolarHBondContact O-CG 3.31Å; A545-R549 PolarHBondContact O-N 3.38Å; A545-R549 VanDerWaalsContact O-N 3.1Å; D546-R549 PolarHBondContact O-N 3.38Å; D546-R549 IonicContact OD1-CZ 3.19Å; D546-R549 IonicContact OD1-NH1 3.44Å; D546-R549 PolarHBondContact OD1-NH1 2.93Å; H547-R549 VanDerWaalsContact C-N 3.33Å; H547-R549 PolarHBondContact O-N 3.27Å; R549-L552 WeakPolarHBondContact O-CB 3.37Å; R549-L552 PolarHBondContact O-N 3.03Å; R549-S553 PolarHBondContact O-N 3.45Å
550	N	92.7	Very high	88.3	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-66.5	-49	178.1	-66.9	-14.3	0	0	0	109.8	N164 N170 D546 H547 L552 S553 N554	N164-N550 WeakPolarHBondContact OD1-CB 3.47Å; N164-N550 PolarHBondContact OD1-ND2 2.98Å; N170-N550 PolarHBondContact ND2-OD1 3.44Å; N170-N550 VanDerWaalsContact ND2-OD1 3.08Å; N170-N550 PolarHBondContact OD1-ND2 3.13Å; D546-N550 VanDerWaalsContact O-CB 3.28Å; D546-N550 WeakPolarHBondContact O-CB 3.26Å; D546-N550 PolarHBondContact O-N 3.24Å; D546-N550 PolarHBondContact O-ND2 2.93Å; D546-N550 PolarHBondContact O-OD1 3.23Å; H547-N550 PolarHBondContact O-N 3.07Å; N550-L552 PolarHBondContact O-N 3.06Å; N550-S553 WeakPolarHBondContact O-CB 3.34Å; N550-S553 PolarHBondContact O-N 3.4Å; N550-N554 WeakPolarHBondContact O-CB 3.24Å; N550-N554 PolarHBondContact O-N 3.22Å; N550-N554 PolarHBondContact O-ND2 3.17Å; N550-N554 PolarHBondContact O-OD1 2.75Å
551	T	93.7	Very high	88.8	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-38.1	175.1	-52.5	0	0	0	0	111.6	N164 M298 V492 L496 H547 N554 C555	N164-T551 PolarHBondContact ND2-OG1 3.39Å; M298-T551 HydrophobicContact CB-CG2 3.89Å; M298-T551 HydrophobicContact CE-CG2 3.77Å; M298-T551 HydrophobicContact CG-CG2 3.96Å; M298-T551 PolarHBondContact O-OG1 3.35Å; V492-T551 HydrophobicContact CG1-CG2 4.05Å; L496-T551 HydrophobicContact CD1-CG2 4.41Å; L496-T551 HydrophobicContact CD2-CG2 4.28Å; H547-T551 WeakPolarHBondContact O-CB 3.31Å; H547-T551 PolarHBondContact O-N 2.9Å; H547-T551 PolarHBondContact O-OG1 2.81Å; T551-N554 PolarHBondContact O-N 3.23Å; T551-C555 WeakPolarHBondContact O-CA 3.39Å; T551-C555 WeakPolarHBondContact O-CB 3.42Å; T551-C555 PolarHBondContact O-N 3.33Å
552	L	91.7	Very high	89.2	Confident	31 Å²	31	37.1 Å²	37.1	16%	0.162	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-43	173.2	-98.6	178.5	0	0	0	114.2	W264 L496 I548 R549 N550 G556	W264-L552 HydrophobicContact CH2-CD2 4.31Å; W264-L552 HydrophobicContact CZ2-CD1 4.47Å; W264-L552 HydrophobicContact CZ2-CD2 3.74Å; L496-L552 HydrophobicContact CD1-CD2 4.07Å; L496-L552 HydrophobicContact CD1-CG 3.86Å; I548-L552 VanDerWaalsContact O-CB 3.27Å; I548-L552 WeakPolarHBondContact O-CB 3.49Å; I548-L552 WeakPolarHBondContact O-CG 3.37Å; I548-L552 PolarHBondContact O-N 3.39Å; R549-L552 WeakPolarHBondContact O-CB 3.37Å; R549-L552 PolarHBondContact O-N 3.03Å; N550-L552 PolarHBondContact O-N 3.06Å; L552-G556 WeakPolarHBondContact O-CA 3.5Å; L552-G556 PolarHBondContact O-N 3.43Å
553	S	90.8	Very high	89.4	Confident	12 Å²	12	37.6 Å²	37.6	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-47.1	177.8	171.2	0	0	0	0	110.5	H409 V412 R549 N550	H409-S553 PolarHBondContact NE2-O 3.15Å; V412-S553 PolarHBondContact O-OG 2.74Å; R549-S553 PolarHBondContact O-N 3.45Å; N550-S553 WeakPolarHBondContact O-CB 3.34Å; N550-S553 PolarHBondContact O-N 3.4Å
554	N	93.3	Very high	89.1	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.027	21%	0.206	C	C	.	.	H	α-helix	trans	-77.1	-41.9	-170.8	-56.9	-16.9	0	0	0	111.9	W162 P382 L385 R386 H409 N550 T551	W162-N554 PolarHBondContact O-ND2 3.23Å; P382-N554 WeakPolarHBondContact CB-ND2 3.36Å; P382-N554 HydrophobicContact CG-CB 4.44Å; P382-N554 WeakPolarHBondContact CG-ND2 3.36Å; L385-N554 HydrophobicContact CD1-CB 4.38Å; R386-N554 PolarHBondContact N-O 3.36Å; H409-N554 PolarHBondContact CE1-O 2.97Å; N550-N554 WeakPolarHBondContact O-CB 3.24Å; N550-N554 PolarHBondContact O-N 3.22Å; N550-N554 PolarHBondContact O-ND2 3.17Å; N550-N554 PolarHBondContact O-OD1 2.75Å; T551-N554 PolarHBondContact O-N 3.23Å
555	C	93.2	Very high	88.2	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-124.2	-4.1	-167.5	-50.8	0	0	0	0	113.7	L374 S384 S489 V492 T551	L374-C555 HydrophobicContact CD2-CB 3.7Å; S384-C555 PolarHBondContact OG-SG 3.17Å; S489-C555 WeakPolarHBondContact CB-O 3.31Å; S489-C555 PolarHBondContact OG-O 3.12Å; V492-C555 HydrophobicContact CG1-CB 4.16Å; V492-C555 HydrophobicContact CG2-CB 4.08Å; T551-C555 WeakPolarHBondContact O-CA 3.39Å; T551-C555 WeakPolarHBondContact O-CB 3.42Å; T551-C555 PolarHBondContact O-N 3.33Å
556	G	90.5	Very high	87	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-73.9	-170.3	-179.6	0	0	0	0	0	113.7	R386 S489 Q493 L552	R386-G556 WeakPolarHBondContact CD-O 3.43Å; R386-G556 PolarHBondContact NH1-O 3.41Å; S489-G556 PolarHBondContact OG-O 3.32Å; Q493-G556 VanDerWaalsContact NE2-CA 3.27Å; L552-G556 WeakPolarHBondContact O-CA 3.5Å; L552-G556 PolarHBondContact O-N 3.43Å
557	L	88	Confident	85.7	Confident	15 Å²	15	65.1 Å²	65.1	8%	0.079	28%	0.276	C	S	.	.			trans	-74.2	143	179.7	-68.9	168.5	0	0	0	111.6	N222 S228 R386 Q493 R559	N222-L557 HydrophobicContact CB-CD1 3.85Å; N222-L557 VanDerWaalsContact O-CD1 3.31Å; N222-L557 WeakPolarHBondContact O-CD1 3.3Å; S228-L557 WeakPolarHBondContact OG-CD2 3.42Å; R386-L557 PolarHBondContact NH1-O 3.45Å; Q493-L557 HydrophobicContact CG-CD1 4.25Å; Q493-L557 HydrophobicContact CG-CG 4.18Å; L557-R559 PolarHBondContact O-N 3Å
558	R	85.7	Confident	83.9	Confident	83 Å²	83	69.2 Å²	69.2	31%	0.313	30%	0.295	S	S	.	.	S	Bend	trans	-59.8	-46.1	178.7	-173.3	-177.3	175.1	-176.7	0.7	113.3	R386 F410	R386-R558 VanDerWaalsContact NH1-N 3.18Å; F410-R558 HydrophobicContact CB-CG 4.21Å; F410-R558 VanDerWaalsContact CD2-NE 3.32Å
559	R	85.3	Confident	82.1	Confident	174 Å²	174	71.3 Å²	71.3	66%	0.657	32%	0.317	S	S	*	.	S	Bend	trans	-131.7	86.4	-179.2	-67.5	-175	-179.4	177.2	0.3	109.2	K225 L557	K225-R559 PolarHBondContact NZ-O 2.8Å; L557-R559 PolarHBondContact O-N 3Å
560	P	87.5	Confident	80.5	Confident	24 Å²	24	71 Å²	71	16%	0.156	32%	0.316	C	S	.	.			trans	-72.4	145.7	172	30.7	-32.6	0	0	0	110	N222 W264 Y562	N222-P560 WeakPolarHBondContact OD1-CA 3.48Å; W264-P560 HydrophobicContact CD2-CB 4.24Å; W264-P560 HydrophobicContact CG-CB 4.21Å; W264-P560 HydrophobicContact CZ2-CB 4.37Å; P560-Y562 HydrophobicContact CG-CE2 3.99Å; P560-Y562 WeakPolarHBondContact O-CD2 3.41Å
561	E	88.7	Confident	78.6	Confident	106 Å²	106	73.3 Å²	73.3	50%	0.495	33%	0.327	S	S	.	.			trans	-76	136	171.6	-68.1	176.2	-159.1	0	0	110.2	I221 N222 K225	I221-E561 HydrophobicContact CG2-CB 4.04Å; N222-E561 PolarHBondContact ND2-N 3.11Å; N222-E561 PolarHBondContact ND2-O 3.3Å; N222-E561 PolarHBondContact OD1-N 2.94Å; K225-E561 IonicContact NZ-OE1 2.74Å
562	Y	86.8	Confident	76.7	Confident	128 Å²	128	79 Å²	79	50%	0.502	35%	0.353	S	S	.	.			trans	-107.1	127.4	179	-72.6	-91.3	0	0	0	110.3	W264 P560	W264-Y562 HydrophobicContact CB-CD1 3.81Å; W264-Y562 HydrophobicContact CB-CE1 4.02Å; W264-Y562 HydrophobicContact CB-CG 4.4Å; W264-Y562 AromaticContact CD1-CE1 3.61Å; W264-Y562 AromaticContact CD1-CZ 3.75Å; W264-Y562 HydrophobicContact CG-CD1 4.47Å; W264-Y562 HydrophobicContact CG-CE1 4.22Å; W264-Y562 CarbonylContact O-C 3.19Å; W264-Y562 WeakPolarHBondContact O-CA 3.33Å; P560-Y562 HydrophobicContact CG-CE2 3.99Å; P560-Y562 WeakPolarHBondContact O-CD2 3.41Å
563	G	84.2	Confident	75.1	Confident	26 Å²	26	83.1 Å²	83.1	27%	0.268	37%	0.366	S	S	.	.			trans	-72.3	-179.9	172.1	0	0	0	0	0	112.9	W264 N265 K565	W264-G563 PolarHBondContact O-N 3.05Å; N265-G563 WeakPolarHBondContact O-CA 3.48Å; G563-K565 PolarHBondContact O-N 2.88Å
564	R	79.7	Confident	73.8	Confident	204 Å²	204	84.7 Å²	84.7	77%	0.77	37%	0.372	S	S	*	.			trans	-68	130.3	179.8	-65.3	-179	179.4	-176.9	-1.3	110.5	R566 I567	R564-R566 PolarHBondContact O-N 3.08Å; R564-I567 PolarHBondContact O-N 3.39Å
565	K	70.1	Confident	72.4	Confident	167 Å²	167	93.5 Å²	93.5	73%	0.726	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-56.9	-18.3	177.6	-69	-178.3	-179.7	177.5	0	114.7	G563 I567 Q568	G563-K565 PolarHBondContact O-N 2.88Å; K565-I567 PolarHBondContact O-N 3.25Å; K565-Q568 WeakPolarHBondContact O-CB 3.43Å; K565-Q568 PolarHBondContact O-N 3.36Å; K565-Q568 VanDerWaalsContact O-N 3.13Å
566	R	62.1	Low	71.2	Confident	223 Å²	223	95.6 Å²	95.6	84%	0.842	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-58.4	-29.9	-178.9	-72.6	-171.1	-179.2	-179.3	0.9	113.5	R564 Q568 G569	R564-R566 PolarHBondContact O-N 3.08Å; R566-Q568 PolarHBondContact O-N 3.34Å; R566-G569 PolarHBondContact O-N 3.4Å
567	I	61.2	Low	70.3	Confident	41 Å²	41	97.2 Å²	97.2	21%	0.21	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-62.2	-31.9	-179.9	-59.9	172.8	0	0	0	110.8	I262 N265 R564 K565 G569 R570	I262-I567 HydrophobicContact CD1-CG2 3.75Å; N265-I567 WeakPolarHBondContact O-CD1 3.34Å; R564-I567 PolarHBondContact O-N 3.39Å; K565-I567 PolarHBondContact O-N 3.25Å; I567-G569 PolarHBondContact O-N 3.31Å; I567-R570 WeakPolarHBondContact O-CB 3.32Å; I567-R570 PolarHBondContact O-N 3.07Å; I567-R570 VanDerWaalsContact O-N 3.12Å
568	Q	54.8	Low	69.5	Low	87 Å²	87	100.4 Å²	100.4	41%	0.407	45%	0.45	S	S	.	.	H	α-helix	trans	-62.3	-26.6	175.1	-64.2	-172.9	-9.1	0	0	113	N265 K565 R566 R570 Q571 H572	N265-Q568 PolarHBondContact OD1-NE2 3.4Å; K565-Q568 WeakPolarHBondContact O-CB 3.43Å; K565-Q568 PolarHBondContact O-N 3.36Å; K565-Q568 VanDerWaalsContact O-N 3.13Å; R566-Q568 PolarHBondContact O-N 3.34Å; Q568-R570 PolarHBondContact O-N 2.92Å; Q568-Q571 PolarHBondContact O-N 3.06Å; Q568-Q571 VanDerWaalsContact O-N 3.17Å; Q568-H572 PolarHBondContact O-CD2 3.16Å; Q568-H572 PolarHBondContact O-N 3.32Å
569	G	53.2	Low	69.1	Low	46 Å²	46	99.7 Å²	99.7	47%	0.474	45%	0.449	S	S	.	.	H	α-helix	trans	-63.8	-22	177.4	0	0	0	0	0	113.6	R566 I567	R566-G569 PolarHBondContact O-N 3.4Å; I567-G569 PolarHBondContact O-N 3.31Å
570	R	57.8	Low	68.8	Low	111 Å²	111	92.5 Å²	92.5	42%	0.419	42%	0.424	S	S	.	.	H	α-helix	trans	-71	-34.5	174.7	-66.7	178.8	165.7	173.6	-6.5	112.6	E267 I567 Q568 E596	E267-R570 IonicContact OE1-NH1 3.46Å; I567-R570 WeakPolarHBondContact O-CB 3.32Å; I567-R570 PolarHBondContact O-N 3.07Å; I567-R570 VanDerWaalsContact O-N 3.12Å; Q568-R570 PolarHBondContact O-N 2.92Å; R570-E596 IonicContact CZ-OE1 3.75Å; R570-E596 IonicContact CZ-OE2 2.75Å; R570-E596 VanDerWaalsContact CZ-OE2 3.24Å; R570-E596 IonicContact NE-OE1 3.9Å; R570-E596 IonicContact NE-OE2 3.55Å; R570-E596 PolarHBondContact NE-OE2 3.4Å; R570-E596 IonicContact NH2-OE1 3.69Å; R570-E596 PolarHBondContact NH2-OE1 3.39Å; R570-E596 IonicContact NH2-OE2 2.67Å; R570-E596 PolarHBondContact NH2-OE2 2.87Å
571	Q	52.6	Low	68.3	Low	50 Å²	50	92.1 Å²	92.1	23%	0.234	42%	0.42	C	S	.	.	H	α-helix	trans	-88.8	-16.1	-177.3	-67.8	-167.7	-20.6	0	0	113.8	I262 R538 Q568	I262-Q571 HydrophobicContact CD1-CG 4.27Å; R538-Q571 PolarHBondContact NH2-O 3.38Å; Q568-Q571 PolarHBondContact O-N 3.06Å; Q568-Q571 VanDerWaalsContact O-N 3.17Å
572	H	54.1	Low	68	Low	122 Å²	122	90.9 Å²	90.9	57%	0.565	41%	0.414	S	S	*	.	S	Bend	trans	-91.7	131.7	179.9	-84.8	-66.7	0	0	0	110.8	Q568 Q574	Q568-H572 PolarHBondContact O-CD2 3.16Å; Q568-H572 PolarHBondContact O-N 3.32Å; H572-Q574 PolarHBondContact O-N 3.06Å
573	R	57.4	Low	67.8	Low	119 Å²	119	84.9 Å²	84.9	45%	0.449	39%	0.391	S	S	.	.			trans	-45.8	130.7	167.8	-75.3	-174.4	169.9	165.5	6.5	109.5	R575 E601	R573-R575 HydrophobicContact CB-CG 3.93Å; R573-R575 PolarHBondContact O-N 2.82Å; R573-E601 IonicContact CZ-OE1 3.48Å; R573-E601 IonicContact NE-OE1 3.62Å; R573-E601 PolarHBondContact NE-OE1 2.82Å; R573-E601 IonicContact NH2-OE1 2.66Å; R573-E601 PolarHBondContact NH2-OE1 3.49Å
574	Q	63.2	Low	67.7	Low	44 Å²	44	83.6 Å²	83.6	21%	0.206	38%	0.378	C	S	.	.			trans	-73.9	65.1	-176.3	-70.2	175.1	-8	0	0	110.1	H572 K579 T806 H811	H572-Q574 PolarHBondContact O-N 3.06Å; Q574-K579 HydrophobicContact CB-CG 3.82Å; Q574-K579 HydrophobicContact CG-CG 4.16Å; Q574-T806 PolarHBondContact NE2-O 3.17Å; Q574-H811 PolarHBondContact OE1-CE1 2.96Å; Q574-H811 PolarHBondContact OE1-ND1 3.28Å
575	R	65.4	Low	67.9	Low	191 Å²	191	77 Å²	77	72%	0.721	36%	0.363	S	S	*	.			trans	-83.6	138.4	-173.7	-65.8	-174.6	-179.8	-176	1.4	111.7	R573	R573-R575 HydrophobicContact CB-CG 3.93Å; R573-R575 PolarHBondContact O-N 2.82Å
576	G	67.4	Low	68.6	Low	47 Å²	47	72.1 Å²	72.1	49%	0.485	34%	0.343	S	S	.	.	S	Bend	trans	105.9	148.2	170.3	0	0	0	0	0	113.4	Q578 K579 L580	G576-Q578 VanDerWaalsContact C-N 3.29Å; G576-Q578 PolarHBondContact O-N 2.83Å; G576-K579 PolarHBondContact O-N 3.1Å; G576-L580 PolarHBondContact O-N 3.39Å
577	I	70.8	Confident	69.6	Low	33 Å²	33	65.7 Å²	65.7	17%	0.169	32%	0.323	C	S	.	.	H	α-helix	trans	-56.7	-37.8	-171	-164.8	173.8	0	0	0	113.7	K579 L580 I581 Q907 L981	I577-K579 PolarHBondContact O-N 2.8Å; I577-L580 PolarHBondContact O-N 2.75Å; I577-I581 HydrophobicContact CD1-CD1 4.46Å; I577-I581 HydrophobicContact CG1-CD1 3.88Å; I577-I581 HydrophobicContact CG1-CG1 4.38Å; I577-I581 VanDerWaalsContact O-CG1 3.31Å; I577-I581 WeakPolarHBondContact O-CG1 3.41Å; I577-I581 PolarHBondContact O-N 3.21Å; I577-Q907 HydrophobicContact CD1-CB 3.9Å; I577-L981 HydrophobicContact CD1-CD1 4.19Å; I577-L981 HydrophobicContact CD1-CD2 4.06Å; I577-L981 HydrophobicContact CD1-CG 4.4Å
578	Q	72.1	Confident	70.4	Confident	83 Å²	83	65 Å²	65	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-42.7	178.9	-179.7	60	29.4	0	0	111.8	G576 E582 I980	G576-Q578 VanDerWaalsContact C-N 3.29Å; G576-Q578 PolarHBondContact O-N 2.83Å; Q578-E582 WeakPolarHBondContact O-CB 3.43Å; Q578-E582 PolarHBondContact O-N 3.41Å; Q578-I980 HydrophobicContact CB-CD1 4.24Å; Q578-I980 HydrophobicContact CG-CD1 4.45Å
579	K	76.5	Confident	71.8	Confident	68 Å²	68	63.1 Å²	63.1	30%	0.296	32%	0.322	S	S	.	.	H	α-helix	trans	-74	-37.2	-179.3	-168.1	64.2	-174.2	173.7	0	110.8	Q574 G576 I577 E582 V583	Q574-K579 HydrophobicContact CB-CG 3.82Å; Q574-K579 HydrophobicContact CG-CG 4.16Å; G576-K579 PolarHBondContact O-N 3.1Å; I577-K579 PolarHBondContact O-N 2.8Å; K579-E582 WeakPolarHBondContact CD-OE2 3.19Å; K579-E582 VanDerWaalsContact NZ-CD 3.27Å; K579-E582 IonicContact NZ-OE1 2.88Å; K579-E582 PolarHBondContact NZ-OE1 3.02Å; K579-E582 IonicContact NZ-OE2 2.8Å; K579-E582 PolarHBondContact NZ-OE2 2.86Å; K579-E582 PolarHBondContact O-N 3.48Å; K579-V583 HydrophobicContact CD-CG2 4.34Å; K579-V583 HydrophobicContact CG-CG2 4.28Å; K579-V583 WeakPolarHBondContact O-CB 3.16Å; K579-V583 WeakPolarHBondContact O-CG2 3.29Å; K579-V583 PolarHBondContact O-N 3.19Å
580	L	79	Confident	73.1	Confident	22 Å²	22	70.8 Å²	70.8	12%	0.115	34%	0.343	C	S	.	.	H	α-helix	trans	-56	-54.2	171.4	177.4	64.1	0	0	0	110.8	G576 I577 E582 V583 M584 H811 L814 W898	G576-L580 PolarHBondContact O-N 3.39Å; I577-L580 PolarHBondContact O-N 2.75Å; L580-E582 VanDerWaalsContact C-N 3.34Å; L580-E582 PolarHBondContact O-N 3.39Å; L580-V583 PolarHBondContact O-N 3.36Å; L580-M584 HydrophobicContact CD1-CG 3.61Å; L580-M584 HydrophobicContact CD1-SD 4.33Å; L580-M584 HydrophobicContact CG-CG 4.17Å; L580-M584 VanDerWaalsContact O-CB 3.3Å; L580-M584 WeakPolarHBondContact O-CB 3.47Å; L580-M584 WeakPolarHBondContact O-CG 3.25Å; L580-M584 PolarHBondContact O-N 3.29Å; L580-H811 WeakPolarHBondContact CD1-CD2 3.33Å; L580-H811 WeakPolarHBondContact CD1-NE2 3.29Å; L580-L814 HydrophobicContact CD1-CD1 4.09Å; L580-W898 HydrophobicContact CD2-CH2 3.8Å; L580-W898 HydrophobicContact CD2-CZ3 3.77Å; L580-W898 HydrophobicContact CG-CH2 3.86Å; L580-W898 HydrophobicContact CG-CZ3 4.08Å
581	I	78	Confident	74.3	Confident	16 Å²	16	69.9 Å²	69.9	8%	0.082	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-43.2	178.5	-66.5	166	0	0	0	111.1	I577 V583 S585 W898 I980 L981	I577-I581 HydrophobicContact CD1-CD1 4.46Å; I577-I581 HydrophobicContact CG1-CD1 3.88Å; I577-I581 HydrophobicContact CG1-CG1 4.38Å; I577-I581 VanDerWaalsContact O-CG1 3.31Å; I577-I581 WeakPolarHBondContact O-CG1 3.41Å; I577-I581 PolarHBondContact O-N 3.21Å; I581-V583 VanDerWaalsContact C-N 3.34Å; I581-V583 PolarHBondContact O-N 2.88Å; I581-S585 WeakPolarHBondContact O-CB 3.18Å; I581-S585 PolarHBondContact O-N 3.2Å; I581-S585 PolarHBondContact O-OG 2.85Å; I581-W898 HydrophobicContact CG1-CH2 4.33Å; I581-W898 HydrophobicContact CG1-CZ2 4.13Å; I581-I980 HydrophobicContact CD1-CG2 3.66Å; I581-L981 HydrophobicContact CD1-CD2 3.91Å
582	E	81.3	Confident	75.6	Confident	81 Å²	81	70.5 Å²	70.5	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-46.2	177.5	-173.2	-165.4	142.2	0	0	111.5	Q578 K579 L580 S585 Q586	Q578-E582 WeakPolarHBondContact O-CB 3.43Å; Q578-E582 PolarHBondContact O-N 3.41Å; K579-E582 WeakPolarHBondContact CD-OE2 3.19Å; K579-E582 VanDerWaalsContact NZ-CD 3.27Å; K579-E582 IonicContact NZ-OE1 2.88Å; K579-E582 PolarHBondContact NZ-OE1 3.02Å; K579-E582 IonicContact NZ-OE2 2.8Å; K579-E582 PolarHBondContact NZ-OE2 2.86Å; K579-E582 PolarHBondContact O-N 3.48Å; L580-E582 VanDerWaalsContact C-N 3.34Å; L580-E582 PolarHBondContact O-N 3.39Å; E582-S585 PolarHBondContact O-OG 3.27Å; E582-Q586 WeakPolarHBondContact O-CG 3.21Å
583	V	83	Confident	76.7	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.006	36%	0.362	C	S	.	.	H	α-helix	trans	-73.5	-47.8	-177.9	176	0	0	0	0	111	K579 L580 I581 S585 Q586 H807 H811	K579-V583 HydrophobicContact CD-CG2 4.34Å; K579-V583 HydrophobicContact CG-CG2 4.28Å; K579-V583 WeakPolarHBondContact O-CB 3.16Å; K579-V583 WeakPolarHBondContact O-CG2 3.29Å; K579-V583 PolarHBondContact O-N 3.19Å; L580-V583 PolarHBondContact O-N 3.36Å; I581-V583 VanDerWaalsContact C-N 3.34Å; I581-V583 PolarHBondContact O-N 2.88Å; V583-S585 PolarHBondContact O-N 2.77Å; V583-S585 VanDerWaalsContact O-N 3.13Å; V583-Q586 VanDerWaalsContact O-CB 3.26Å; V583-Q586 WeakPolarHBondContact O-CB 3.3Å; V583-Q586 PolarHBondContact O-N 2.85Å; V583-H807 PolarHBondContact O-CE1 3.39Å; V583-H807 PolarHBondContact O-NE2 3.42Å; V583-H811 WeakPolarHBondContact CG1-ND1 3.45Å
584	M	83	Confident	77.7	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-64.6	-17.4	178.4	-64	-62	-69.5	0	0	113.1	L580 H811 L814 L815 I893 W898	L580-M584 HydrophobicContact CD1-CG 3.61Å; L580-M584 HydrophobicContact CD1-SD 4.33Å; L580-M584 HydrophobicContact CG-CG 4.17Å; L580-M584 VanDerWaalsContact O-CB 3.3Å; L580-M584 WeakPolarHBondContact O-CB 3.47Å; L580-M584 WeakPolarHBondContact O-CG 3.25Å; L580-M584 PolarHBondContact O-N 3.29Å; M584-H811 HydrophobicContact SD-CB 3.83Å; M584-L814 HydrophobicContact CE-CB 3.92Å; M584-L815 HydrophobicContact CE-CD2 3.54Å; M584-L815 HydrophobicContact CE-CG 3.79Å; M584-L815 HydrophobicContact SD-CG 4.46Å; M584-I893 WeakPolarHBondContact O-CG2 3.36Å; M584-W898 HydrophobicContact CB-CD2 4.35Å; M584-W898 HydrophobicContact CB-CZ2 4.14Å; M584-W898 HydrophobicContact CE-CB 3.93Å; M584-W898 HydrophobicContact CE-CD2 3.95Å; M584-W898 HydrophobicContact CE-CE3 4.31Å; M584-W898 HydrophobicContact CE-CG 3.74Å; M584-W898 HydrophobicContact CG-CD2 4.33Å; M584-W898 HydrophobicContact CG-CZ2 4.36Å
585	S	83.5	Confident	78.4	Confident	64 Å²	64	71.3 Å²	71.3	45%	0.448	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.7	172	73.8	0	0	0	0	114	I581 E582 V583	I581-S585 WeakPolarHBondContact O-CB 3.18Å; I581-S585 PolarHBondContact O-N 3.2Å; I581-S585 PolarHBondContact O-OG 2.85Å; E582-S585 PolarHBondContact O-OG 3.27Å; V583-S585 PolarHBondContact O-N 2.77Å; V583-S585 VanDerWaalsContact O-N 3.13Å
586	Q	84.3	Confident	78.8	Confident	66 Å²	66	66.7 Å²	66.7	31%	0.308	36%	0.36	S	S	.	.	S	Bend	trans	-76	129	177.2	-63.5	175.2	7.3	0	0	109.7	E582 V583 T806	E582-Q586 WeakPolarHBondContact O-CG 3.21Å; V583-Q586 VanDerWaalsContact O-CB 3.26Å; V583-Q586 WeakPolarHBondContact O-CB 3.3Å; V583-Q586 PolarHBondContact O-N 2.85Å; Q586-T806 PolarHBondContact OE1-OG1 2.9Å
587	M	83.7	Confident	79.2	Confident	87 Å²	87	65.3 Å²	65.3	43%	0.429	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-73.5	152.9	170.7	-71.1	-69.1	176.4	0	0	110.7	K890 I893 L894	M587-K890 HydrophobicContact CE-CG 3.95Å; M587-I893 HydrophobicContact CE-CB 3.92Å; M587-I893 HydrophobicContact CE-CG2 3.59Å; M587-I893 HydrophobicContact SD-CB 4.21Å; M587-I893 HydrophobicContact SD-CD1 3.94Å; M587-I893 HydrophobicContact SD-CG2 3.88Å; M587-L894 HydrophobicContact CE-CD1 4.38Å; M587-L894 HydrophobicContact CE-CD2 3.62Å; M587-L894 HydrophobicContact CE-CG 3.59Å
588	G	78.4	Confident	79.7	Confident	27 Å²	27	68.1 Å²	68.1	28%	0.278	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-60.3	156.9	173.2	0	0	0	0	0	112.6	Y803 F804	G588-Y803 CarbonylContact C-O 3.51Å; G588-Y803 VanDerWaalsContact CA-O 3.23Å; G588-Y803 WeakPolarHBondContact CA-O 3.45Å; G588-F804 VanDerWaalsContact N-CE1 3.27Å
589	C	82.9	Confident	80.5	Confident	47 Å²	47	65.4 Å²	65.4	32%	0.318	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-71.1	148.6	171.3	-64.3	0	0	0	0	109.7	T591 Y803	C589-T591 VanDerWaalsContact C-N 3.31Å; C589-T591 VanDerWaalsContact CB-O 3.28Å; C589-T591 WeakPolarHBondContact CB-O 3.44Å; C589-Y803 PolarHBondContact N-O 3.48Å; C589-Y803 WeakPolarHBondContact O-CD1 3.33Å
590	K	81	Confident	81.3	Confident	208 Å²	208	62.2 Å²	62.2	90%	0.904	33%	0.332	S	S	*	.	S	Bend	trans	-71.1	-30.2	174.4	-67.7	-173.9	177.6	-175.3	0	112.5
591	T	82.7	Confident	82	Confident	91 Å²	91	62.3 Å²	62.3	56%	0.558	33%	0.332	S	S	*	.	S	Bend	trans	-112.4	146.7	178.6	56.7	0	0	0	0	109	C589 K593	C589-T591 VanDerWaalsContact C-N 3.31Å; C589-T591 VanDerWaalsContact CB-O 3.28Å; C589-T591 WeakPolarHBondContact CB-O 3.44Å; T591-K593 PolarHBondContact O-N 3.14Å
592	A	79.3	Confident	82.8	Confident	63 Å²	63	61.9 Å²	61.9	52%	0.521	33%	0.329	S	S	.	.			trans	-56.4	132.4	169.6	0	0	0	0	0	109.4	K802	A592-K802 WeakPolarHBondContact CA-O 3.49Å; A592-K802 HydrophobicContact CB-CB 4.21Å
593	K	77.7	Confident	83.6	Confident	127 Å²	127	58.1 Å²	58.1	55%	0.552	31%	0.311	S	S	*	.			trans	-138.5	145.3	-179	179.6	-177	178.5	-174.8	0	109.2	T591 K802 P805	T591-K593 PolarHBondContact O-N 3.14Å; K593-K802 PolarHBondContact N-O 3.37Å; K593-P805 HydrophobicContact CB-CG 4.13Å; K593-P805 HydrophobicContact CD-CG 4.47Å; K593-P805 HydrophobicContact CG-CG 4.47Å; K593-P805 WeakPolarHBondContact O-CB 3.42Å
594	E	78.1	Confident	84.2	Confident	146 Å²	146	59.8 Å²	59.8	68%	0.682	32%	0.319	S	S	*	.			trans	-67.2	145.8	175.4	-70.5	172.3	-169.8	0	0	112.1
595	S	77.6	Confident	84.9	Confident	29 Å²	29	60.1 Å²	60.1	20%	0.203	32%	0.321	C	S	.	.			trans	-66.8	145.6	174.7	-159.7	0	0	0	0	111.3	A597 R602 P805	S595-A597 VanDerWaalsContact OG-CB 3.23Å; S595-A597 WeakPolarHBondContact OG-CB 3.39Å; S595-A597 PolarHBondContact OG-N 3.26Å; S595-A597 VanDerWaalsContact OG-N 3.1Å; S595-R602 VanDerWaalsContact CB-NH1 3.31Å; S595-R602 WeakPolarHBondContact OG-CD 3.37Å; S595-R602 PolarHBondContact OG-NH1 3.25Å; S595-P805 PolarHBondContact OG-O 3.09Å; S595-P805 VanDerWaalsContact OG-O 3.09Å
596	E	74.9	Confident	85.5	Confident	95 Å²	95	57 Å²	57	44%	0.444	30%	0.299	S	S	.	.	S	Bend	trans	-83.5	-4.6	162.8	-61.2	-173.3	165.4	0	0	112.2	R570	R570-E596 IonicContact CZ-OE1 3.75Å; R570-E596 IonicContact CZ-OE2 2.75Å; R570-E596 VanDerWaalsContact CZ-OE2 3.24Å; R570-E596 IonicContact NE-OE1 3.9Å; R570-E596 IonicContact NE-OE2 3.55Å; R570-E596 PolarHBondContact NE-OE2 3.4Å; R570-E596 IonicContact NH2-OE1 3.69Å; R570-E596 PolarHBondContact NH2-OE1 3.39Å; R570-E596 IonicContact NH2-OE2 2.67Å; R570-E596 PolarHBondContact NH2-OE2 2.87Å
597	A	75.8	Confident	86.2	Confident	18 Å²	18	53.9 Å²	53.9	15%	0.149	29%	0.285	C	S	.	.			trans	-72.2	129	178.5	0	0	0	0	0	110.8	S595	S595-A597 VanDerWaalsContact OG-CB 3.23Å; S595-A597 WeakPolarHBondContact OG-CB 3.39Å; S595-A597 PolarHBondContact OG-N 3.26Å; S595-A597 VanDerWaalsContact OG-N 3.1Å
598	M	81.4	Confident	86.8	Confident	92 Å²	92	51.4 Å²	51.4	45%	0.453	27%	0.273	S	S	.	.			trans	-100.3	28.5	-176.1	-56.3	-70.3	-84.3	0	0	112.1	L260 T533	L260-M598 HydrophobicContact CB-CE 4.25Å; L260-M598 HydrophobicContact CD1-CE 4.37Å; T533-M598 VanDerWaalsContact CG2-O 3.26Å; T533-M598 WeakPolarHBondContact CG2-O 3.4Å
599	N	88.6	Confident	87.7	Confident	25 Å²	25	50.2 Å²	50.2	13%	0.134	26%	0.26	C	S	.	.	S	Bend	trans	-137.4	162.9	-179.6	66.1	-4.4	0	0	0	111.3	P535 E601	P535-N599 HydrophobicContact CB-CB 4.38Å; P535-N599 HydrophobicContact CG-CB 4.13Å; N599-E601 VanDerWaalsContact ND2-CD 3.26Å; N599-E601 PolarHBondContact ND2-OE2 2.87Å; N599-E601 PolarHBondContact O-N 2.73Å
600	N	93.8	Very high	88.3	Confident	2 Å²	2	48 Å²	48	1%	0.011	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.8	-174.8	67.7	-16.3	0	0	0	115.2	L530 A531 T533 R602 L603 E604 A681	L530-N600 WeakPolarHBondContact O-CB 3.33Å; A531-N600 VanDerWaalsContact O-CB 3.25Å; A531-N600 WeakPolarHBondContact O-CB 3.44Å; A531-N600 PolarHBondContact O-ND2 3.37Å; A531-N600 VanDerWaalsContact O-ND2 3.14Å; T533-N600 PolarHBondContact O-N 2.98Å; T533-N600 PolarHBondContact O-OD1 3.46Å; N600-R602 PolarHBondContact O-N 2.74Å; N600-L603 CarbonylContact O-C 3.6Å; N600-L603 WeakPolarHBondContact O-CA 3.17Å; N600-L603 WeakPolarHBondContact O-CB 3.37Å; N600-L603 PolarHBondContact O-N 2.85Å; N600-E604 PolarHBondContact O-N 3.12Å; N600-A681 HydrophobicContact CB-CB 3.75Å
601	E	93.7	Very high	89.1	Confident	24 Å²	24	38 Å²	38	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-51.2	-36.8	-176	-74	170.5	169.8	0	0	113.4	P535 R573 N599 E604 F605 E809	P535-E601 HydrophobicContact CG-CG 3.58Å; P535-E601 WeakPolarHBondContact CG-OE1 3.25Å; R573-E601 IonicContact CZ-OE1 3.48Å; R573-E601 IonicContact NE-OE1 3.62Å; R573-E601 PolarHBondContact NE-OE1 2.82Å; R573-E601 IonicContact NH2-OE1 2.66Å; R573-E601 PolarHBondContact NH2-OE1 3.49Å; N599-E601 VanDerWaalsContact ND2-CD 3.26Å; N599-E601 PolarHBondContact ND2-OE2 2.87Å; N599-E601 PolarHBondContact O-N 2.73Å; E601-E604 WeakPolarHBondContact O-CB 3.42Å; E601-F605 PolarHBondContact O-N 3.27Å; E601-F605 VanDerWaalsContact O-N 3.17Å; E601-E809 HydrophobicContact CB-CB 4.1Å; E601-E809 WeakPolarHBondContact O-CB 3.27Å
602	R	94.8	Very high	89.7	Confident	7 Å²	7	35.4 Å²	35.4	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-74	-33	177	-62	-173.9	76.9	-130.3	-8.5	112.9	S595 N600 L606 Y801 F804 H807 L812	S595-R602 VanDerWaalsContact CB-NH1 3.31Å; S595-R602 WeakPolarHBondContact OG-CD 3.37Å; S595-R602 PolarHBondContact OG-NH1 3.25Å; N600-R602 PolarHBondContact O-N 2.74Å; R602-L606 PolarHBondContact O-N 2.94Å; R602-Y801 HydrophobicContact CB-CD2 4.12Å; R602-Y801 HydrophobicContact CB-CE2 3.72Å; R602-Y801 PolarHBondContact NH2-O 3.43Å; R602-Y801 VanDerWaalsContact O-CD2 3.28Å; R602-Y801 WeakPolarHBondContact O-CD2 3.34Å; R602-Y801 WeakPolarHBondContact O-CE2 3.04Å; R602-F804 PolarHBondContact NH2-O 2.73Å; R602-H807 VanDerWaalsContact CD-O 3.24Å; R602-H807 WeakPolarHBondContact CD-O 3.31Å; R602-H807 PolarHBondContact NE-O 3.11Å; R602-L812 HydrophobicContact CG-CD1 4.44Å
603	L	96.6	Very high	90.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-73.8	-37.2	176.3	-73.9	170.4	0	0	0	110.4	L527 L530 A531 N600 L606 G607 A681 A685 L688 Y801	L527-L603 HydrophobicContact CD1-CD1 4.16Å; L527-L603 HydrophobicContact CD1-CD2 4.03Å; L530-L603 HydrophobicContact CB-CD1 4.26Å; L530-L603 HydrophobicContact CD2-CD1 4.02Å; L530-L603 HydrophobicContact CG-CD1 3.92Å; A531-L603 HydrophobicContact CB-CD1 3.95Å; N600-L603 CarbonylContact O-C 3.6Å; N600-L603 WeakPolarHBondContact O-CA 3.17Å; N600-L603 WeakPolarHBondContact O-CB 3.37Å; N600-L603 PolarHBondContact O-N 2.85Å; L603-L606 PolarHBondContact O-N 3.5Å; L603-G607 PolarHBondContact O-N 3.48Å; L603-A681 HydrophobicContact CB-CB 3.81Å; L603-A685 HydrophobicContact CD1-CB 4.37Å; L603-A685 HydrophobicContact CD2-CB 4.46Å; L603-L688 HydrophobicContact CD2-CD1 3.67Å; L603-Y801 HydrophobicContact CD2-CE2 3.99Å; L603-Y801 VanDerWaalsContact CD2-OH 3.25Å; L603-Y801 WeakPolarHBondContact CD2-OH 3.41Å; L603-Y801 HydrophobicContact CG-CE2 4.37Å
604	E	97.2	Very high	91.4	Very high	37 Å²	37	26.9 Å²	26.9	17%	0.173	14%	0.135	C	C	.	.	H	α-helix	trans	-53.3	-52.7	169.8	-179.2	-168.5	145.7	0	0	110.3	N600 E601 L606 G607 D608 N677 E680 A681	N600-E604 PolarHBondContact O-N 3.12Å; E601-E604 WeakPolarHBondContact O-CB 3.42Å; E604-L606 VanDerWaalsContact C-N 3.27Å; E604-L606 PolarHBondContact O-N 2.93Å; E604-G607 PolarHBondContact O-N 3.27Å; E604-G607 VanDerWaalsContact O-N 3.08Å; E604-D608 WeakPolarHBondContact O-CB 3.22Å; E604-D608 PolarHBondContact O-N 2.88Å; E604-N677 HydrophobicContact CG-CB 4.13Å; E604-N677 PolarHBondContact OE1-ND2 3.23Å; E604-N677 WeakPolarHBondContact OE2-CB 3.24Å; E604-N677 PolarHBondContact OE2-ND2 3.47Å; E604-E680 HydrophobicContact CG-CB 4.31Å; E604-E680 WeakPolarHBondContact CG-OE2 3.48Å; E604-A681 HydrophobicContact CB-CB 4.42Å
605	F	96.8	Very high	92.3	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-53.1	-39.9	175.2	170.8	-98.8	0	0	0	114.4	E601 E809 L812 S813 R816	E601-F605 PolarHBondContact O-N 3.27Å; E601-F605 VanDerWaalsContact O-N 3.17Å; F605-E809 HydrophobicContact CB-CB 4.49Å; F605-E809 HydrophobicContact CB-CG 4.06Å; F605-L812 HydrophobicContact CD1-CB 4.1Å; F605-L812 HydrophobicContact CD1-CD1 3.8Å; F605-L812 HydrophobicContact CD2-CB 4.33Å; F605-L812 HydrophobicContact CE1-CB 3.79Å; F605-L812 HydrophobicContact CE1-CD1 4.07Å; F605-L812 HydrophobicContact CE2-CB 4.04Å; F605-L812 HydrophobicContact CG-CB 4.36Å; F605-L812 HydrophobicContact CG-CD1 4.36Å; F605-L812 HydrophobicContact CZ-CB 3.76Å; F605-S813 WeakPolarHBondContact CD2-OG 3.43Å; F605-R816 HydrophobicContact CZ-CB 4.35Å
606	L	97.1	Very high	93.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-75.9	-40.9	178	-178.3	61.8	0	0	0	111.3	R602 L603 E604 A609 V610 F687 L688 E798 Y801	R602-L606 PolarHBondContact O-N 2.94Å; L603-L606 PolarHBondContact O-N 3.5Å; E604-L606 VanDerWaalsContact C-N 3.27Å; E604-L606 PolarHBondContact O-N 2.93Å; L606-A609 PolarHBondContact O-N 3.3Å; L606-V610 WeakPolarHBondContact O-CG2 3.49Å; L606-V610 PolarHBondContact O-N 3.23Å; L606-V610 VanDerWaalsContact O-N 3.08Å; L606-F687 HydrophobicContact CD1-CD1 4.33Å; L606-F687 HydrophobicContact CD1-CE1 4.24Å; L606-F687 HydrophobicContact CD2-CD1 4.03Å; L606-F687 HydrophobicContact CD2-CE1 4.49Å; L606-F687 HydrophobicContact CG-CD1 4.21Å; L606-L688 HydrophobicContact CD2-CD1 3.68Å; L606-L688 HydrophobicContact CD2-CD2 3.73Å; L606-L688 HydrophobicContact CD2-CG 3.59Å; L606-E798 HydrophobicContact CD1-CB 4.26Å; L606-Y801 HydrophobicContact CB-CD2 4.18Å; L606-Y801 HydrophobicContact CD2-CD1 4.3Å; L606-Y801 HydrophobicContact CD2-CD2 4.27Å; L606-Y801 HydrophobicContact CD2-CG 4.11Å
607	G	97.3	Very high	94.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.3	-41.2	179.2	0	0	0	0	0	113.3	L603 E604 A609 V610 I611 E680	L603-G607 PolarHBondContact O-N 3.48Å; E604-G607 PolarHBondContact O-N 3.27Å; E604-G607 VanDerWaalsContact O-N 3.08Å; G607-A609 VanDerWaalsContact C-N 3.34Å; G607-A609 PolarHBondContact O-N 3.21Å; G607-V610 WeakPolarHBondContact O-CB 3.48Å; G607-V610 PolarHBondContact O-N 3.13Å; G607-I611 WeakPolarHBondContact O-CG1 3.44Å; G607-I611 PolarHBondContact O-N 3.02Å; G607-E680 VanDerWaalsContact CA-O 3.28Å; G607-E680 WeakPolarHBondContact CA-O 3.35Å
608	D	97	Very high	95	Very high	35 Å²	35	14.4 Å²	14.4	19%	0.187	7%	0.071	C	C	.	.	H	α-helix	trans	-49	-54.9	170.2	170	63.6	0	0	0	110.8	E604 V610 I611 E612 R816	E604-D608 WeakPolarHBondContact O-CB 3.22Å; E604-D608 PolarHBondContact O-N 2.88Å; D608-V610 VanDerWaalsContact C-N 3.3Å; D608-V610 PolarHBondContact O-N 3.48Å; D608-I611 PolarHBondContact O-N 3.33Å; D608-E612 WeakPolarHBondContact O-CB 3.4Å; D608-E612 WeakPolarHBondContact O-CG 3.41Å; D608-E612 PolarHBondContact O-N 3Å; D608-R816 IonicContact OD2-NH1 3.4Å; D608-R816 IonicContact OD2-NH2 2.74Å
609	A	96.8	Very high	95.7	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.008	5%	0.051	C	C	.	.	H	α-helix	trans	-63.7	-33	178.1	0	0	0	0	0	113.4	L606 G607 F613 Q793 L794	L606-A609 PolarHBondContact O-N 3.3Å; G607-A609 VanDerWaalsContact C-N 3.34Å; G607-A609 PolarHBondContact O-N 3.21Å; A609-F613 VanDerWaalsContact O-CB 3.23Å; A609-F613 WeakPolarHBondContact O-CB 3.4Å; A609-F613 PolarHBondContact O-N 3.25Å; A609-F613 VanDerWaalsContact O-N 3.07Å; A609-Q793 HydrophobicContact CB-CG 4.21Å; A609-L794 HydrophobicContact CB-CD1 4.46Å
610	V	97.2	Very high	96	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-70.6	-45.7	177.4	172	0	0	0	0	111.3	L606 G607 D608 F613 L614 F687 I692 T695 L794	L606-V610 WeakPolarHBondContact O-CG2 3.49Å; L606-V610 PolarHBondContact O-N 3.23Å; L606-V610 VanDerWaalsContact O-N 3.08Å; G607-V610 WeakPolarHBondContact O-CB 3.48Å; G607-V610 PolarHBondContact O-N 3.13Å; D608-V610 VanDerWaalsContact C-N 3.3Å; D608-V610 PolarHBondContact O-N 3.48Å; V610-F613 PolarHBondContact O-N 3.04Å; V610-L614 HydrophobicContact CG1-CD1 4Å; V610-L614 HydrophobicContact CG1-CG 4.37Å; V610-L614 WeakPolarHBondContact O-CG 3.34Å; V610-L614 PolarHBondContact O-N 3.32Å; V610-F687 HydrophobicContact CG1-CB 4.42Å; V610-F687 HydrophobicContact CG2-CB 3.93Å; V610-F687 HydrophobicContact CG2-CD1 3.8Å; V610-F687 HydrophobicContact CG2-CD2 4.18Å; V610-F687 HydrophobicContact CG2-CE1 4.37Å; V610-F687 HydrophobicContact CG2-CG 3.7Å; V610-I692 HydrophobicContact CG1-CD1 4.09Å; V610-T695 HydrophobicContact CG1-CG2 3.77Å; V610-L794 HydrophobicContact CB-CD1 4.47Å; V610-L794 HydrophobicContact CG2-CD1 3.62Å
611	I	96.5	Very high	96	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.7	-45.6	178	-63.9	176.3	0	0	0	110	G607 D608 F613 L614 T615 V639 L644 F679 E680 L683 Y699	G607-I611 WeakPolarHBondContact O-CG1 3.44Å; G607-I611 PolarHBondContact O-N 3.02Å; D608-I611 PolarHBondContact O-N 3.33Å; I611-F613 VanDerWaalsContact C-N 3.28Å; I611-F613 PolarHBondContact O-N 3.01Å; I611-L614 PolarHBondContact O-N 3.31Å; I611-T615 HydrophobicContact CG2-CG2 4.14Å; I611-T615 WeakPolarHBondContact O-CB 2.95Å; I611-T615 WeakPolarHBondContact O-CG2 3.2Å; I611-T615 PolarHBondContact O-N 3.25Å; I611-T615 PolarHBondContact O-OG1 3.44Å; I611-V639 HydrophobicContact CG2-CG1 4.22Å; I611-V639 HydrophobicContact CG2-CG2 3.84Å; I611-L644 HydrophobicContact CD1-CD1 4.19Å; I611-L644 HydrophobicContact CD1-CD2 4.2Å; I611-F679 HydrophobicContact CD1-CD1 4.45Å; I611-E680 HydrophobicContact CD1-CB 4.37Å; I611-E680 HydrophobicContact CD1-CG 3.65Å; I611-L683 HydrophobicContact CD1-CD1 3.58Å; I611-L683 HydrophobicContact CG1-CB 4.45Å; I611-L683 HydrophobicContact CG1-CD1 3.42Å; I611-L683 VanDerWaalsContact CG1-CD1 3.42Å; I611-Y699 HydrophobicContact CG2-CE2 4.27Å
612	E	96.1	Very high	95.9	Very high	36 Å²	36	11.9 Å²	11.9	17%	0.168	6%	0.056	C	C	.	.	H	α-helix	trans	-60	-40	177.7	-74.8	-169.5	147.5	0	0	111.8	D608 T615 T616 V639 Q793	D608-E612 WeakPolarHBondContact O-CB 3.4Å; D608-E612 WeakPolarHBondContact O-CG 3.41Å; D608-E612 PolarHBondContact O-N 3Å; E612-T615 WeakPolarHBondContact CA-OG1 3.28Å; E612-T615 PolarHBondContact O-OG1 3.44Å; E612-T615 VanDerWaalsContact O-OG1 3.08Å; E612-T616 WeakPolarHBondContact O-CB 3.42Å; E612-T616 PolarHBondContact O-N 3.14Å; E612-T616 PolarHBondContact O-OG1 3.44Å; E612-V639 HydrophobicContact CG-CG1 4.08Å; E612-V639 HydrophobicContact CG-CG2 4.45Å; E612-Q793 PolarHBondContact OE2-NE2 2.68Å; E612-Q793 PolarHBondContact OE2-OE1 2.84Å
613	F	96.3	Very high	95.8	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.018	7%	0.072	C	C	.	.	H	α-helix	trans	-64.6	-51.6	175.1	173.6	-99	0	0	0	112.5	A609 V610 I611 T616 I617 I692 V791 L794 F869 L874	A609-F613 VanDerWaalsContact O-CB 3.23Å; A609-F613 WeakPolarHBondContact O-CB 3.4Å; A609-F613 PolarHBondContact O-N 3.25Å; A609-F613 VanDerWaalsContact O-N 3.07Å; V610-F613 PolarHBondContact O-N 3.04Å; I611-F613 VanDerWaalsContact C-N 3.28Å; I611-F613 PolarHBondContact O-N 3.01Å; F613-T616 PolarHBondContact O-N 3.18Å; F613-I617 HydrophobicContact CD1-CD1 3.65Å; F613-I617 HydrophobicContact CD2-CD1 3.79Å; F613-I617 HydrophobicContact CE1-CD1 3.23Å; F613-I617 HydrophobicContact CE2-CD1 3.4Å; F613-I617 VanDerWaalsContact CE2-CD1 3.4Å; F613-I617 HydrophobicContact CE2-CG1 4.4Å; F613-I617 HydrophobicContact CG-CD1 3.92Å; F613-I617 HydrophobicContact CZ-CD1 3.13Å; F613-I617 HydrophobicContact CZ-CG1 4.47Å; F613-I617 WeakPolarHBondContact O-CG1 3.31Å; F613-I617 PolarHBondContact O-N 3.15Å; F613-I692 HydrophobicContact CD1-CD1 3.95Å; F613-I692 HydrophobicContact CD1-CG1 4.41Å; F613-I692 HydrophobicContact CE1-CD1 3.95Å; F613-I692 HydrophobicContact CE1-CG1 3.91Å; F613-V791 HydrophobicContact CD2-CG2 4.34Å; F613-V791 HydrophobicContact CE2-CG2 3.93Å; F613-L794 HydrophobicContact CB-CB 4.34Å; F613-L794 HydrophobicContact CB-CD2 4.1Å; F613-L794 HydrophobicContact CD1-CD2 3.64Å; F613-L794 HydrophobicContact CD2-CB 4.3Å; F613-L794 HydrophobicContact CD2-CD2 3.71Å; F613-L794 HydrophobicContact CE1-CD2 3.82Å; F613-L794 HydrophobicContact CE2-CD2 3.87Å; F613-L794 HydrophobicContact CG-CB 4.43Å; F613-L794 HydrophobicContact CG-CD2 3.56Å; F613-L794 HydrophobicContact CZ-CD2 3.91Å; F613-F869 AromaticContact CE2-CE2 3.99Å; F613-F869 HydrophobicContact CE2-CE2 3.99Å; F613-F869 HydrophobicContact CE2-CZ 4.06Å; F613-F869 AromaticContact CZ-CE2 3.75Å; F613-F869 HydrophobicContact CZ-CE2 3.75Å; F613-F869 AromaticContact CZ-CZ 3.76Å; F613-F869 HydrophobicContact CZ-CZ 3.76Å; F613-L874 HydrophobicContact CE2-CD1 4.33Å; F613-L874 HydrophobicContact CZ-CD1 4.34Å
614	L	96	Very high	95.5	Very high	6 Å²	6	17.7 Å²	17.7	3%	0.031	9%	0.088	C	C	.	.	H	α-helix	trans	-61.2	-48.4	-179.3	-69.5	176.2	0	0	0	111.7	V610 I611 T616 I617 H618 I692 T695 D696 Y699	V610-L614 HydrophobicContact CG1-CD1 4Å; V610-L614 HydrophobicContact CG1-CG 4.37Å; V610-L614 WeakPolarHBondContact O-CG 3.34Å; V610-L614 PolarHBondContact O-N 3.32Å; I611-L614 PolarHBondContact O-N 3.31Å; L614-T616 VanDerWaalsContact C-N 3.32Å; L614-T616 PolarHBondContact O-N 3.19Å; L614-I617 PolarHBondContact O-N 3.46Å; L614-H618 PolarHBondContact O-CD2 3.28Å; L614-H618 PolarHBondContact O-N 2.86Å; L614-H618 VanDerWaalsContact O-N 3.09Å; L614-I692 HydrophobicContact CD2-CD1 3.76Å; L614-I692 HydrophobicContact CD2-CG1 4.04Å; L614-I692 HydrophobicContact CG-CD1 4.18Å; L614-T695 HydrophobicContact CD1-CG2 4.12Å; L614-D696 HydrophobicContact CD1-CB 4.35Å; L614-D696 HydrophobicContact CD2-CB 3.7Å; L614-Y699 HydrophobicContact CB-CD1 4.21Å; L614-Y699 HydrophobicContact CB-CE1 4.46Å; L614-Y699 HydrophobicContact CD1-CD1 4.17Å; L614-Y699 HydrophobicContact CD1-CG 4.5Å
615	T	96.1	Very high	95.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-41.9	177.5	51.6	0	0	0	0	111.9	I611 E612 L619 L638 V639 Y699	I611-T615 HydrophobicContact CG2-CG2 4.14Å; I611-T615 WeakPolarHBondContact O-CB 2.95Å; I611-T615 WeakPolarHBondContact O-CG2 3.2Å; I611-T615 PolarHBondContact O-N 3.25Å; I611-T615 PolarHBondContact O-OG1 3.44Å; E612-T615 WeakPolarHBondContact CA-OG1 3.28Å; E612-T615 PolarHBondContact O-OG1 3.44Å; E612-T615 VanDerWaalsContact O-OG1 3.08Å; T615-L619 WeakPolarHBondContact O-CB 3.19Å; T615-L619 WeakPolarHBondContact O-CG 3.39Å; T615-L619 PolarHBondContact O-N 3.25Å; T615-L638 HydrophobicContact CG2-CB 4.16Å; T615-L638 HydrophobicContact CG2-CD1 4.28Å; T615-V639 HydrophobicContact CG2-CG2 4.01Å; T615-Y699 HydrophobicContact CG2-CE1 3.62Å; T615-Y699 WeakPolarHBondContact CG2-OH 3.24Å
616	T	96.4	Very high	95	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.4	-43.7	179.9	-65.4	0	0	0	0	112.2	E612 F613 L614 Y620 R635 F786 L787 T790	E612-T616 WeakPolarHBondContact O-CB 3.42Å; E612-T616 PolarHBondContact O-N 3.14Å; E612-T616 PolarHBondContact O-OG1 3.44Å; F613-T616 PolarHBondContact O-N 3.18Å; L614-T616 VanDerWaalsContact C-N 3.32Å; L614-T616 PolarHBondContact O-N 3.19Å; T616-Y620 WeakPolarHBondContact O-CB 3.42Å; T616-Y620 PolarHBondContact O-N 3.02Å; T616-R635 WeakPolarHBondContact OG1-CD 3.43Å; T616-F786 HydrophobicContact CG2-CD1 3.65Å; T616-F786 HydrophobicContact CG2-CE1 3.41Å; T616-F786 VanDerWaalsContact CG2-CE1 3.41Å; T616-F786 HydrophobicContact CG2-CZ 4.08Å; T616-L787 HydrophobicContact CG2-CD1 4.08Å; T616-T790 HydrophobicContact CG2-CG2 3.89Å; T616-T790 WeakPolarHBondContact CG2-OG1 3.35Å; T616-T790 WeakPolarHBondContact OG1-CG2 3.48Å
617	I	94.7	Very high	94.7	Very high	19 Å²	19	31.6 Å²	31.6	10%	0.097	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-52.7	177.8	-75.4	167.6	0	0	0	110.9	F613 L614 L619 Y620 Y621 L787 F869	F613-I617 HydrophobicContact CD1-CD1 3.65Å; F613-I617 HydrophobicContact CD2-CD1 3.79Å; F613-I617 HydrophobicContact CE1-CD1 3.23Å; F613-I617 HydrophobicContact CE2-CD1 3.4Å; F613-I617 VanDerWaalsContact CE2-CD1 3.4Å; F613-I617 HydrophobicContact CE2-CG1 4.4Å; F613-I617 HydrophobicContact CG-CD1 3.92Å; F613-I617 HydrophobicContact CZ-CD1 3.13Å; F613-I617 HydrophobicContact CZ-CG1 4.47Å; F613-I617 WeakPolarHBondContact O-CG1 3.31Å; F613-I617 PolarHBondContact O-N 3.15Å; L614-I617 PolarHBondContact O-N 3.46Å; I617-L619 PolarHBondContact O-N 2.87Å; I617-Y620 WeakPolarHBondContact O-CB 3.37Å; I617-Y620 PolarHBondContact O-N 3.17Å; I617-Y620 VanDerWaalsContact O-N 3.15Å; I617-Y621 HydrophobicContact CG2-CD2 3.82Å; I617-Y621 HydrophobicContact CG2-CE2 3.95Å; I617-Y621 VanDerWaalsContact O-CD2 3.31Å; I617-Y621 WeakPolarHBondContact O-CD2 3.33Å; I617-Y621 PolarHBondContact O-N 3.07Å; I617-L787 HydrophobicContact CG1-CD1 3.82Å; I617-F869 HydrophobicContact CD1-CE1 3.78Å; I617-F869 HydrophobicContact CD1-CZ 3.49Å; I617-F869 VanDerWaalsContact CD1-CZ 3.49Å; I617-F869 HydrophobicContact CG1-CE1 3.92Å; I617-F869 HydrophobicContact CG1-CZ 4.16Å
618	H	94.7	Very high	94.5	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-46.7	-178.7	-79.4	-65.7	0	0	0	111.2	L614 Y620 Y621 M622 D696 W716	L614-H618 PolarHBondContact O-CD2 3.28Å; L614-H618 PolarHBondContact O-N 2.86Å; L614-H618 VanDerWaalsContact O-N 3.09Å; H618-Y620 VanDerWaalsContact C-N 3.32Å; H618-Y620 PolarHBondContact O-N 3.41Å; H618-Y621 PolarHBondContact O-N 3.28Å; H618-M622 HydrophobicContact CB-CE 4.08Å; H618-M622 VanDerWaalsContact O-CB 3.24Å; H618-M622 WeakPolarHBondContact O-CB 3.42Å; H618-M622 WeakPolarHBondContact O-CE 3.49Å; H618-M622 WeakPolarHBondContact O-CG 3.25Å; H618-M622 PolarHBondContact O-N 3.43Å; H618-D696 IonicContact CD2-OD1 3.5Å; H618-D696 PolarHBondContact CD2-OD1 3.09Å; H618-D696 IonicContact CE1-OD1 3.7Å; H618-D696 IonicContact CE1-OD2 2.82Å; H618-D696 VanDerWaalsContact NE2-CG 3.33Å; H618-D696 IonicContact NE2-OD1 2.7Å; H618-D696 PolarHBondContact NE2-OD1 3.31Å; H618-D696 IonicContact NE2-OD2 2.62Å; H618-D696 PolarHBondContact NE2-OD2 3.33Å; H618-W716 HydrophobicContact CB-CD2 4.24Å; H618-W716 HydrophobicContact CB-CE3 4.03Å; H618-W716 HydrophobicContact CB-CH2 3.5Å; H618-W716 VanDerWaalsContact CB-CH2 3.5Å; H618-W716 HydrophobicContact CB-CZ2 3.7Å; H618-W716 HydrophobicContact CB-CZ3 3.67Å; H618-W716 AromaticContact CD2-CE2 3.37Å; H618-W716 AromaticContact CD2-CH2 3.97Å; H618-W716 AromaticContact CD2-CZ2 3.22Å; H618-W716 WeakPolarHBondContact CD2-CZ2 3.3Å; H618-W716 AromaticContact CD2-NE1 3.54Å; H618-W716 AromaticContact CE1-CD1 3.87Å; H618-W716 AromaticContact CE1-CE2 3.95Å; H618-W716 AromaticContact CE1-NE1 3.58Å; H618-W716 PolarHBondContact CE1-O 3.43Å; H618-W716 AromaticContact CG-CD2 3.94Å; H618-W716 AromaticContact CG-CE2 3.51Å; H618-W716 AromaticContact CG-CH2 3.86Å; H618-W716 AromaticContact CG-CZ2 3.48Å; H618-W716 VanDerWaalsContact CG-CZ2 3.48Å; H618-W716 AromaticContact CG-NE1 3.92Å; H618-W716 AromaticContact ND1-CE2 3.91Å; H618-W716 AromaticContact ND1-NE1 3.98Å; H618-W716 PolarHBondContact ND1-O 3.48Å; H618-W716 VanDerWaalsContact ND1-O 3.09Å; H618-W716 AromaticContact NE2-CE2 3.67Å; H618-W716 AromaticContact NE2-CZ2 3.95Å; H618-W716 AromaticContact NE2-NE1 3.31Å; H618-W716 PolarHBondContact NE2-NE1 3.06Å
619	L	95.2	Very high	94.2	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-38.3	176.4	-68.6	174.2	0	0	0	112.5	T615 I617 M622 F623 L631 F634 R635 L638	T615-L619 WeakPolarHBondContact O-CB 3.19Å; T615-L619 WeakPolarHBondContact O-CG 3.39Å; T615-L619 PolarHBondContact O-N 3.25Å; I617-L619 PolarHBondContact O-N 2.87Å; L619-M622 HydrophobicContact CD2-CE 4.15Å; L619-F623 HydrophobicContact CD2-CD2 3.98Å; L619-F623 HydrophobicContact CD2-CE2 3.74Å; L619-F623 PolarHBondContact O-N 3.37Å; L619-F623 VanDerWaalsContact O-N 3.16Å; L619-L631 HydrophobicContact CB-CD2 3.96Å; L619-L631 VanDerWaalsContact O-CD2 3.3Å; L619-L631 WeakPolarHBondContact O-CD2 3.49Å; L619-F634 HydrophobicContact CD1-CB 3.73Å; L619-F634 HydrophobicContact CD2-CB 3.91Å; L619-F634 HydrophobicContact CD2-CG 4.49Å; L619-F634 HydrophobicContact CG-CB 4.5Å; L619-R635 HydrophobicContact CD1-CB 4.01Å; L619-L638 HydrophobicContact CD1-CD1 4.43Å
620	Y	95.2	Very high	94.1	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-44	179.1	177.2	-91.5	0	0	0	112.4	T616 I617 H618 H722 R783 L787 V870	T616-Y620 WeakPolarHBondContact O-CB 3.42Å; T616-Y620 PolarHBondContact O-N 3.02Å; I617-Y620 WeakPolarHBondContact O-CB 3.37Å; I617-Y620 PolarHBondContact O-N 3.17Å; I617-Y620 VanDerWaalsContact O-N 3.15Å; H618-Y620 VanDerWaalsContact C-N 3.32Å; H618-Y620 PolarHBondContact O-N 3.41Å; Y620-H722 AromaticContact CE1-CD2 3.84Å; Y620-H722 AromaticContact CZ-CD2 3.77Å; Y620-H722 PolarHBondContact OH-CD2 3.31Å; Y620-H722 PolarHBondContact OH-NE2 3.47Å; Y620-R783 HydrophobicContact CD2-CB 4.23Å; Y620-R783 HydrophobicContact CE2-CB 3.83Å; Y620-R783 WeakPolarHBondContact CE2-O 3.36Å; Y620-R783 PolarHBondContact O-NH2 3.41Å; Y620-L787 HydrophobicContact CD1-CD2 3.93Å; Y620-L787 HydrophobicContact CD2-CB 4.22Å; Y620-L787 HydrophobicContact CD2-CD2 4.27Å; Y620-L787 HydrophobicContact CE1-CD2 3.84Å; Y620-L787 HydrophobicContact CE2-CB 4.4Å; Y620-L787 HydrophobicContact CE2-CD2 4.18Å; Y620-L787 HydrophobicContact CG-CD2 4.14Å; Y620-V870 HydrophobicContact CE1-CG2 4Å
621	Y	93.9	Very high	94	Very high	38 Å²	38	35.7 Å²	35.7	15%	0.149	20%	0.195	C	C	.	.	H	α-helix	trans	-79.4	-40.5	179.3	-74	-76.3	0	0	0	112.7	I617 H618 F623 P720 H722	I617-Y621 HydrophobicContact CG2-CD2 3.82Å; I617-Y621 HydrophobicContact CG2-CE2 3.95Å; I617-Y621 VanDerWaalsContact O-CD2 3.31Å; I617-Y621 WeakPolarHBondContact O-CD2 3.33Å; I617-Y621 PolarHBondContact O-N 3.07Å; H618-Y621 PolarHBondContact O-N 3.28Å; Y621-F623 VanDerWaalsContact C-N 3.34Å; Y621-F623 PolarHBondContact O-N 2.88Å; Y621-P720 VanDerWaalsContact CD1-O 3.29Å; Y621-P720 WeakPolarHBondContact CD1-O 3.35Å; Y621-P720 WeakPolarHBondContact O-CG 3.45Å; Y621-H722 HydrophobicContact CE1-CB 4.32Å
622	M	92.6	Very high	93.9	Very high	42 Å²	42	37.1 Å²	37.1	21%	0.207	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-34.1	-179.7	-70.1	-174	-56	0	0	113.3	H618 L619 I715 W716 P719	H618-M622 HydrophobicContact CB-CE 4.08Å; H618-M622 VanDerWaalsContact O-CB 3.24Å; H618-M622 WeakPolarHBondContact O-CB 3.42Å; H618-M622 WeakPolarHBondContact O-CE 3.49Å; H618-M622 WeakPolarHBondContact O-CG 3.25Å; H618-M622 PolarHBondContact O-N 3.43Å; L619-M622 HydrophobicContact CD2-CE 4.15Å; M622-I715 HydrophobicContact CG-CG2 4.45Å; M622-I715 HydrophobicContact SD-CG2 4.03Å; M622-W716 HydrophobicContact CE-CE3 3.68Å; M622-W716 HydrophobicContact CE-CZ3 3.66Å; M622-W716 HydrophobicContact SD-CE3 4.01Å; M622-P719 HydrophobicContact CG-CB 4.45Å
623	F	93.3	Very high	93.9	Very high	84 Å²	84	39.4 Å²	39.4	37%	0.368	22%	0.224	S	C	.	.			trans	-118.1	76.5	-174.6	-59.9	-70.6	0	0	0	112.1	L619 Y621 D625 L626 L631 R783	L619-F623 HydrophobicContact CD2-CD2 3.98Å; L619-F623 HydrophobicContact CD2-CE2 3.74Å; L619-F623 PolarHBondContact O-N 3.37Å; L619-F623 VanDerWaalsContact O-N 3.16Å; Y621-F623 VanDerWaalsContact C-N 3.34Å; Y621-F623 PolarHBondContact O-N 2.88Å; F623-D625 PolarHBondContact O-N 2.97Å; F623-L626 HydrophobicContact CB-CB 3.84Å; F623-L626 HydrophobicContact CB-CD2 4.4Å; F623-L626 PolarHBondContact O-N 3.32Å; F623-L631 HydrophobicContact CB-CD2 4.1Å; F623-R783 PolarHBondContact O-NH2 2.89Å
624	S	90	Very high	93.9	Very high	47 Å²	47	43.8 Å²	43.8	33%	0.329	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.9	179	57.1	0	0	0	0	114.2	R783	S624-R783 VanDerWaalsContact O-CZ 3.26Å; S624-R783 PolarHBondContact O-NH1 3.48Å
625	D	90	Very high	93.9	Very high	152 Å²	152	45.7 Å²	45.7	81%	0.813	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-11.8	-170	-56.3	-14.5	0	0	0	112.6	F623	F623-D625 PolarHBondContact O-N 2.97Å
626	L	92.5	Very high	93.8	Very high	54 Å²	54	49.2 Å²	49.2	28%	0.283	27%	0.274	S	S	.	.			trans	-82.8	131.3	-176.9	-165.9	67.7	0	0	0	111.1	F623 L631 F634 R783	F623-L626 HydrophobicContact CB-CB 3.84Å; F623-L626 HydrophobicContact CB-CD2 4.4Å; F623-L626 PolarHBondContact O-N 3.32Å; L626-L631 HydrophobicContact CB-CD2 4.34Å; L626-L631 HydrophobicContact CB-CG 4.47Å; L626-L631 HydrophobicContact CD2-CD2 3.96Å; L626-L631 HydrophobicContact CD2-CG 4.2Å; L626-L631 HydrophobicContact CG-CG 4.45Å; L626-F634 HydrophobicContact CD2-CD2 3.72Å; L626-F634 HydrophobicContact CD2-CE2 3.54Å; L626-R783 VanDerWaalsContact O-CD 3.28Å; L626-R783 WeakPolarHBondContact O-CD 3.48Å; L626-R783 PolarHBondContact O-NE 3.4Å
627	E	92	Very high	93.8	Very high	128 Å²	128	52.9 Å²	52.9	60%	0.598	30%	0.297	S	S	*	.			trans	-67.6	160.1	173.4	-62.6	-172.5	178.7	0	0	112.2	G629 G630 L631	E627-G629 PolarHBondContact O-N 2.98Å; E627-G629 VanDerWaalsContact O-N 3.14Å; E627-G630 PolarHBondContact O-N 3.41Å; E627-L631 PolarHBondContact O-N 3.18Å
628	E	92.1	Very high	93.7	Very high	54 Å²	54	53.5 Å²	53.5	25%	0.252	30%	0.3	S	S	.	.	H	α-helix	trans	-45.6	-44.6	177.5	-173.6	-151.4	147.7	0	0	113.3	G630 L631 A632 Q782 F786	E628-G630 VanDerWaalsContact C-N 3.31Å; E628-G630 PolarHBondContact O-N 3.2Å; E628-L631 PolarHBondContact O-N 3.33Å; E628-A632 WeakPolarHBondContact O-CB 3.38Å; E628-A632 PolarHBondContact O-N 3.26Å; E628-Q782 HydrophobicContact CB-CB 4.25Å; E628-Q782 PolarHBondContact OE2-NE2 3.09Å; E628-F786 HydrophobicContact CG-CB 4.1Å; E628-F786 HydrophobicContact CG-CD2 4.48Å
629	G	90.8	Very high	93.7	Very high	47 Å²	47	53.8 Å²	53.8	49%	0.485	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-35.9	-178.6	0	0	0	0	0	113.7	E627 T633	E627-G629 PolarHBondContact O-N 2.98Å; E627-G629 VanDerWaalsContact O-N 3.14Å; G629-T633 PolarHBondContact O-N 2.97Å; G629-T633 PolarHBondContact O-OG1 3.1Å
630	G	94	Very high	93.7	Very high	22 Å²	22	58.4 Å²	58.4	23%	0.227	32%	0.324	C	S	.	.	H	α-helix	trans	-70.2	-45.4	174.3	0	0	0	0	0	111.8	E627 E628 A632 T633 F634	E627-G630 PolarHBondContact O-N 3.41Å; E628-G630 VanDerWaalsContact C-N 3.31Å; E628-G630 PolarHBondContact O-N 3.2Å; G630-A632 PolarHBondContact O-N 3.3Å; G630-T633 WeakPolarHBondContact O-CB 3.28Å; G630-T633 PolarHBondContact O-N 3.44Å; G630-F634 WeakPolarHBondContact O-CD2 3.35Å; G630-F634 PolarHBondContact O-N 3.18Å
631	L	95.4	Very high	93.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-44.6	177.2	-63.3	173.1	0	0	0	111.8	L619 F623 L626 E627 E628 T633 F634 R635 R783 F786	L619-L631 HydrophobicContact CB-CD2 3.96Å; L619-L631 VanDerWaalsContact O-CD2 3.3Å; L619-L631 WeakPolarHBondContact O-CD2 3.49Å; F623-L631 HydrophobicContact CB-CD2 4.1Å; L626-L631 HydrophobicContact CB-CD2 4.34Å; L626-L631 HydrophobicContact CB-CG 4.47Å; L626-L631 HydrophobicContact CD2-CD2 3.96Å; L626-L631 HydrophobicContact CD2-CG 4.2Å; L626-L631 HydrophobicContact CG-CG 4.45Å; E627-L631 PolarHBondContact O-N 3.18Å; E628-L631 PolarHBondContact O-N 3.33Å; L631-T633 VanDerWaalsContact C-N 3.32Å; L631-T633 PolarHBondContact O-N 3.43Å; L631-F634 PolarHBondContact O-N 2.93Å; L631-R635 WeakPolarHBondContact O-CB 3.33Å; L631-R635 PolarHBondContact O-N 2.9Å; L631-R783 HydrophobicContact CD1-CG 4.25Å; L631-F786 HydrophobicContact CB-CD1 4.29Å; L631-F786 HydrophobicContact CB-CE1 3.77Å; L631-F786 HydrophobicContact CB-CZ 4Å; L631-F786 HydrophobicContact CD1-CD1 4.31Å; L631-F786 HydrophobicContact CD1-CE1 4.42Å
632	A	94.4	Very high	93.7	Very high	30 Å²	30	63.5 Å²	63.5	25%	0.248	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-37.8	177.5	0	0	0	0	0	112.2	E628 G630 R635 S636 F786	E628-A632 WeakPolarHBondContact O-CB 3.38Å; E628-A632 PolarHBondContact O-N 3.26Å; G630-A632 PolarHBondContact O-N 3.3Å; A632-R635 PolarHBondContact O-N 2.94Å; A632-S636 WeakPolarHBondContact O-CB 3.42Å; A632-S636 PolarHBondContact O-N 3.45Å; A632-S636 PolarHBondContact O-OG 3.3Å; A632-F786 HydrophobicContact CB-CE2 4.01Å
633	T	96.3	Very high	93.8	Very high	84 Å²	84	64.3 Å²	64.3	52%	0.515	36%	0.357	S	S	.	.	H	α-helix	trans	-63.4	-47.5	175.5	-56.7	0	0	0	0	110.9	G629 G630 L631 S636 T637	G629-T633 PolarHBondContact O-N 2.97Å; G629-T633 PolarHBondContact O-OG1 3.1Å; G630-T633 WeakPolarHBondContact O-CB 3.28Å; G630-T633 PolarHBondContact O-N 3.44Å; L631-T633 VanDerWaalsContact C-N 3.32Å; L631-T633 PolarHBondContact O-N 3.43Å; T633-S636 PolarHBondContact O-N 3.29Å; T633-S636 PolarHBondContact O-OG 3.14Å; T633-T637 PolarHBondContact O-N 3.12Å; T633-T637 VanDerWaalsContact O-N 3.11Å; T633-T637 PolarHBondContact O-OG1 3.42Å
634	F	96.1	Very high	94	Very high	96 Å²	96	60.3 Å²	60.3	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-45.4	176.4	-71.7	-46.7	0	0	0	112.4	L619 L626 G630 L631 S636 T637 L638	L619-F634 HydrophobicContact CD1-CB 3.73Å; L619-F634 HydrophobicContact CD2-CB 3.91Å; L619-F634 HydrophobicContact CD2-CG 4.49Å; L619-F634 HydrophobicContact CG-CB 4.5Å; L626-F634 HydrophobicContact CD2-CD2 3.72Å; L626-F634 HydrophobicContact CD2-CE2 3.54Å; G630-F634 WeakPolarHBondContact O-CD2 3.35Å; G630-F634 PolarHBondContact O-N 3.18Å; L631-F634 PolarHBondContact O-N 2.93Å; F634-S636 PolarHBondContact O-N 2.98Å; F634-T637 PolarHBondContact O-N 3.49Å; F634-L638 WeakPolarHBondContact O-CG 3.3Å; F634-L638 PolarHBondContact O-N 2.99Å
635	R	95.7	Very high	94.3	Very high	46 Å²	46	58.2 Å²	58.2	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-55.6	-51.7	175	-175	-174.4	71.6	-178.1	5.7	111	T616 L619 L631 A632 T637 L638 V639 F786	T616-R635 WeakPolarHBondContact OG1-CD 3.43Å; L619-R635 HydrophobicContact CD1-CB 4.01Å; L631-R635 WeakPolarHBondContact O-CB 3.33Å; L631-R635 PolarHBondContact O-N 2.9Å; A632-R635 PolarHBondContact O-N 2.94Å; R635-T637 PolarHBondContact O-N 3.26Å; R635-L638 PolarHBondContact O-N 3.34Å; R635-L638 VanDerWaalsContact O-N 3.15Å; R635-V639 HydrophobicContact CG-CG2 4.24Å; R635-V639 WeakPolarHBondContact O-CG2 3.42Å; R635-V639 PolarHBondContact O-N 3.41Å; R635-F786 HydrophobicContact CB-CZ 4.13Å; R635-F786 VanDerWaalsContact CZ-CE2 3.44Å
636	S	94.6	Very high	94.5	Very high	73 Å²	73	54.9 Å²	54.9	51%	0.51	31%	0.31	S	S	.	.	H	α-helix	trans	-60.5	-30.6	-179	71.5	0	0	0	0	113.4	A632 T633 F634 Q640	A632-S636 WeakPolarHBondContact O-CB 3.42Å; A632-S636 PolarHBondContact O-N 3.45Å; A632-S636 PolarHBondContact O-OG 3.3Å; T633-S636 PolarHBondContact O-N 3.29Å; T633-S636 PolarHBondContact O-OG 3.14Å; F634-S636 PolarHBondContact O-N 2.98Å; S636-Q640 WeakPolarHBondContact O-CB 3.46Å; S636-Q640 PolarHBondContact O-N 3.45Å
637	T	95.4	Very high	94.7	Very high	78 Å²	78	52.4 Å²	52.4	48%	0.479	30%	0.297	S	S	.	.	H	α-helix	trans	-74.4	-43.4	177.4	-55.3	0	0	0	0	111.1	T633 F634 R635	T633-T637 PolarHBondContact O-N 3.12Å; T633-T637 VanDerWaalsContact O-N 3.11Å; T633-T637 PolarHBondContact O-OG1 3.42Å; F634-T637 PolarHBondContact O-N 3.49Å; R635-T637 PolarHBondContact O-N 3.26Å
638	L	94.6	Very high	94.8	Very high	31 Å²	31	46.3 Å²	46.3	16%	0.162	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-37.2	-179.6	-70.3	175.4	0	0	0	112.7	T615 L619 F634 R635 Q640 H643 L703	T615-L638 HydrophobicContact CG2-CB 4.16Å; T615-L638 HydrophobicContact CG2-CD1 4.28Å; L619-L638 HydrophobicContact CD1-CD1 4.43Å; F634-L638 WeakPolarHBondContact O-CG 3.3Å; F634-L638 PolarHBondContact O-N 2.99Å; R635-L638 PolarHBondContact O-N 3.34Å; R635-L638 VanDerWaalsContact O-N 3.15Å; L638-Q640 VanDerWaalsContact C-N 3.33Å; L638-H643 PolarHBondContact O-ND1 3.05Å; L638-L703 HydrophobicContact CD2-CD2 4.31Å
639	V	94.3	Very high	94.9	Very high	15 Å²	15	49 Å²	49	9%	0.091	28%	0.276	C	S	.	.	S	Bend	trans	-87.7	-1.7	-177.6	-170.9	0	0	0	0	112.2	I611 E612 T615 R635 N641 L644	I611-V639 HydrophobicContact CG2-CG1 4.22Å; I611-V639 HydrophobicContact CG2-CG2 3.84Å; E612-V639 HydrophobicContact CG-CG1 4.08Å; E612-V639 HydrophobicContact CG-CG2 4.45Å; T615-V639 HydrophobicContact CG2-CG2 4.01Å; R635-V639 HydrophobicContact CG-CG2 4.24Å; R635-V639 WeakPolarHBondContact O-CG2 3.42Å; R635-V639 PolarHBondContact O-N 3.41Å; V639-N641 PolarHBondContact O-N 3.32Å; V639-L644 WeakPolarHBondContact O-CD1 3.22Å
640	Q	94.7	Very high	95	Very high	103 Å²	103	51.3 Å²	51.3	48%	0.481	27%	0.273	S	S	.	.			trans	-63.2	134.2	179.5	-167.6	179.6	12.6	0	0	111.8	S636 L638 N642 H643 L644	S636-Q640 WeakPolarHBondContact O-CB 3.46Å; S636-Q640 PolarHBondContact O-N 3.45Å; L638-Q640 VanDerWaalsContact C-N 3.33Å; Q640-N642 PolarHBondContact O-N 3.05Å; Q640-H643 WeakPolarHBondContact O-CA 3.18Å; Q640-H643 WeakPolarHBondContact O-CB 3.47Å; Q640-H643 PolarHBondContact O-N 2.95Å; Q640-L644 PolarHBondContact O-N 3.13Å
641	N	94.2	Very high	94.9	Very high	60 Å²	60	51 Å²	51	32%	0.321	27%	0.266	S	S	.	.	H	α-helix	trans	-49.5	-37.9	-179.9	-65.5	10.2	0	0	0	113.9	V639 H643 L644 A645 A676	V639-N641 PolarHBondContact O-N 3.32Å; N641-H643 VanDerWaalsContact C-N 3.35Å; N641-H643 PolarHBondContact O-N 3.18Å; N641-L644 PolarHBondContact O-N 2.91Å; N641-A645 VanDerWaalsContact O-CB 3.31Å; N641-A645 WeakPolarHBondContact O-CB 3.38Å; N641-A645 PolarHBondContact O-N 3.28Å; N641-A676 HydrophobicContact CB-CB 3.99Å; N641-A676 WeakPolarHBondContact O-CB 3.29Å
642	N	94.3	Very high	94.8	Very high	87 Å²	87	51.3 Å²	51.3	47%	0.465	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-41.3	177.2	-74.1	-19.7	0	0	0	112.3	Q640 V646	Q640-N642 PolarHBondContact O-N 3.05Å; N642-V646 WeakPolarHBondContact O-CG2 3.29Å; N642-V646 PolarHBondContact O-N 3.14Å
643	H	96	Very high	94.7	Very high	59 Å²	59	49.9 Å²	49.9	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-70.2	-46.2	176.9	-178.6	-122.1	0	0	0	110.9	L638 Q640 N641 A645 V646 L647	L638-H643 PolarHBondContact O-ND1 3.05Å; Q640-H643 WeakPolarHBondContact O-CA 3.18Å; Q640-H643 WeakPolarHBondContact O-CB 3.47Å; Q640-H643 PolarHBondContact O-N 2.95Å; N641-H643 VanDerWaalsContact C-N 3.35Å; N641-H643 PolarHBondContact O-N 3.18Å; H643-A645 VanDerWaalsContact C-N 3.26Å; H643-A645 PolarHBondContact O-N 3.04Å; H643-V646 WeakPolarHBondContact O-CA 3.28Å; H643-V646 WeakPolarHBondContact O-CB 3.15Å; H643-V646 PolarHBondContact O-N 2.86Å; H643-L647 PolarHBondContact O-N 3.26Å
644	L	96.9	Very high	94.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-37.7	176.3	-61.7	-176.1	0	0	0	112.3	I611 V639 Q640 N641 V646 L647 A648 A676 F679 E680	I611-L644 HydrophobicContact CD1-CD1 4.19Å; I611-L644 HydrophobicContact CD1-CD2 4.2Å; V639-L644 WeakPolarHBondContact O-CD1 3.22Å; Q640-L644 PolarHBondContact O-N 3.13Å; N641-L644 PolarHBondContact O-N 2.91Å; L644-V646 VanDerWaalsContact C-N 3.31Å; L644-V646 PolarHBondContact O-N 2.94Å; L644-L647 HydrophobicContact CD2-CD1 4.26Å; L644-L647 PolarHBondContact O-N 2.95Å; L644-A648 VanDerWaalsContact O-CB 3.27Å; L644-A648 WeakPolarHBondContact O-CB 3.02Å; L644-A648 PolarHBondContact O-N 3.19Å; L644-A676 HydrophobicContact CB-CB 3.96Å; L644-F679 HydrophobicContact CB-CD1 4.32Å; L644-F679 HydrophobicContact CD2-CD1 4.08Å; L644-F679 HydrophobicContact CD2-CE1 4.1Å; L644-E680 HydrophobicContact CD1-CG 3.89Å; L644-E680 WeakPolarHBondContact CD1-OE1 3.31Å
645	A	95.4	Very high	94.3	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.033	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-33.6	174.1	0	0	0	0	0	113	N641 H643 R649 K672 A676	N641-A645 VanDerWaalsContact O-CB 3.31Å; N641-A645 WeakPolarHBondContact O-CB 3.38Å; N641-A645 PolarHBondContact O-N 3.28Å; H643-A645 VanDerWaalsContact C-N 3.26Å; H643-A645 PolarHBondContact O-N 3.04Å; A645-R649 WeakPolarHBondContact O-CB 3.45Å; A645-R649 PolarHBondContact O-N 3.26Å; A645-R649 VanDerWaalsContact O-N 3.08Å; A645-K672 HydrophobicContact CB-CB 4.02Å; A645-K672 HydrophobicContact CB-CG 4.37Å; A645-K672 VanDerWaalsContact CB-O 3.31Å; A645-K672 WeakPolarHBondContact CB-O 3.43Å; A645-A676 HydrophobicContact CB-CB 4.37Å
646	V	95.3	Very high	94.2	Very high	81 Å²	81	42.5 Å²	42.5	49%	0.491	22%	0.222	S	C	.	.	H	α-helix	trans	-68.9	-45.7	174	173.4	0	0	0	0	110.4	N642 H643 L644 A648 R649 K650	N642-V646 WeakPolarHBondContact O-CG2 3.29Å; N642-V646 PolarHBondContact O-N 3.14Å; H643-V646 WeakPolarHBondContact O-CA 3.28Å; H643-V646 WeakPolarHBondContact O-CB 3.15Å; H643-V646 PolarHBondContact O-N 2.86Å; L644-V646 VanDerWaalsContact C-N 3.31Å; L644-V646 PolarHBondContact O-N 2.94Å; V646-A648 PolarHBondContact O-N 2.84Å; V646-R649 WeakPolarHBondContact O-CB 3.27Å; V646-R649 PolarHBondContact O-N 3.27Å; V646-R649 VanDerWaalsContact O-N 3.13Å; V646-K650 PolarHBondContact O-N 2.9Å
647	L	95.2	Very high	94.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-43.8	175.5	-60	179.8	0	0	0	111.8	H643 L644 R649 K650 I651 F679 Y699 L703	H643-L647 PolarHBondContact O-N 3.26Å; L644-L647 HydrophobicContact CD2-CD1 4.26Å; L644-L647 PolarHBondContact O-N 2.95Å; L647-R649 PolarHBondContact O-N 3.47Å; L647-K650 WeakPolarHBondContact O-CB 3.45Å; L647-K650 PolarHBondContact O-N 3.05Å; L647-I651 PolarHBondContact O-N 3.2Å; L647-F679 HydrophobicContact CB-CE1 4.18Å; L647-F679 HydrophobicContact CB-CE2 4.36Å; L647-F679 HydrophobicContact CB-CZ 3.98Å; L647-F679 HydrophobicContact CD1-CE1 4.13Å; L647-F679 HydrophobicContact CD1-CZ 4.33Å; L647-Y699 HydrophobicContact CD1-CE2 4.2Å; L647-L703 HydrophobicContact CD1-CD2 3.59Å; L647-L703 HydrophobicContact CD1-CG 4.33Å; L647-L703 HydrophobicContact CD2-CD2 4.14Å; L647-L703 HydrophobicContact CG-CD2 4.5Å
648	A	95.7	Very high	94	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.6	-39.7	174.1	0	0	0	0	0	111.8	L644 V646 I651 G652 L653 M675 F679	L644-A648 VanDerWaalsContact O-CB 3.27Å; L644-A648 WeakPolarHBondContact O-CB 3.02Å; L644-A648 PolarHBondContact O-N 3.19Å; V646-A648 PolarHBondContact O-N 2.84Å; A648-I651 WeakPolarHBondContact O-CG1 3.45Å; A648-G652 PolarHBondContact O-N 3.37Å; A648-L653 HydrophobicContact CB-CB 4.13Å; A648-L653 HydrophobicContact CB-CD2 3.96Å; A648-L653 WeakPolarHBondContact O-CB 3.3Å; A648-L653 PolarHBondContact O-N 3.21Å; A648-M675 HydrophobicContact CB-CB 4.15Å; A648-M675 HydrophobicContact CB-CE 4.05Å; A648-F679 HydrophobicContact CB-CB 3.86Å; A648-F679 HydrophobicContact CB-CD2 4.21Å; A648-F679 HydrophobicContact CB-CG 4.23Å
649	R	93.2	Very high	93.6	Very high	111 Å²	111	35.1 Å²	35.1	42%	0.419	17%	0.172	S	C	.	.	H	α-helix	trans	-70.6	-34.6	176	-167.6	173.5	-66.8	-170.3	-1.3	112.5	A645 V646 L647 I651 G652 M675	A645-R649 WeakPolarHBondContact O-CB 3.45Å; A645-R649 PolarHBondContact O-N 3.26Å; A645-R649 VanDerWaalsContact O-N 3.08Å; V646-R649 WeakPolarHBondContact O-CB 3.27Å; V646-R649 PolarHBondContact O-N 3.27Å; V646-R649 VanDerWaalsContact O-N 3.13Å; L647-R649 PolarHBondContact O-N 3.47Å; R649-I651 VanDerWaalsContact C-N 3.32Å; R649-I651 PolarHBondContact O-N 2.97Å; R649-G652 WeakPolarHBondContact O-CA 3.4Å; R649-G652 PolarHBondContact O-N 3.26Å; R649-M675 HydrophobicContact CB-CE 3.75Å; R649-M675 HydrophobicContact CG-CE 4.37Å
650	K	92.7	Very high	92.9	Very high	96 Å²	96	37.4 Å²	37.4	42%	0.417	19%	0.186	S	C	.	.	H	α-helix	trans	-59.1	-41.7	176.3	-73	-167.3	175.6	-161.9	0	111.8	V646 L647 G652 E708	V646-K650 PolarHBondContact O-N 2.9Å; L647-K650 WeakPolarHBondContact O-CB 3.45Å; L647-K650 PolarHBondContact O-N 3.05Å; K650-G652 PolarHBondContact O-N 3.09Å; K650-E708 VanDerWaalsContact NZ-CD 3.27Å; K650-E708 IonicContact NZ-OE1 3.6Å; K650-E708 PolarHBondContact NZ-OE1 3.43Å; K650-E708 IonicContact NZ-OE2 2.79Å; K650-E708 PolarHBondContact NZ-OE2 2.75Å
651	I	93.1	Very high	91.8	Very high	15 Å²	15	33.9 Å²	33.9	8%	0.077	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.5	174.4	63.3	169	0	0	0	113.7	R517 L518 L647 A648 R649 L653 F679 L682 T702	R517-I651 WeakPolarHBondContact CD-O 3.47Å; R517-I651 PolarHBondContact NH1-O 3.43Å; L518-I651 HydrophobicContact CD2-CD1 4.29Å; L647-I651 PolarHBondContact O-N 3.2Å; A648-I651 WeakPolarHBondContact O-CG1 3.45Å; R649-I651 VanDerWaalsContact C-N 3.32Å; R649-I651 PolarHBondContact O-N 2.97Å; I651-L653 HydrophobicContact CD1-CB 4.14Å; I651-L653 HydrophobicContact CD1-CD1 4.23Å; I651-L653 HydrophobicContact CG1-CB 4.04Å; I651-F679 HydrophobicContact CD1-CD2 3.91Å; I651-F679 HydrophobicContact CD1-CE2 3.98Å; I651-L682 HydrophobicContact CD1-CD2 3.77Å; I651-T702 HydrophobicContact CG2-CG2 3.35Å
652	G	92.4	Very high	90.5	Very high	7 Å²	7	32.1 Å²	32.1	7%	0.072	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	37.9	-176	0	0	0	0	0	113.5	A648 R649 K650 D654 E655 F656	A648-G652 PolarHBondContact O-N 3.37Å; R649-G652 WeakPolarHBondContact O-CA 3.4Å; R649-G652 PolarHBondContact O-N 3.26Å; K650-G652 PolarHBondContact O-N 3.09Å; G652-D654 PolarHBondContact O-N 2.96Å; G652-E655 WeakPolarHBondContact O-CB 3.48Å; G652-E655 PolarHBondContact O-N 3.08Å; G652-E655 VanDerWaalsContact O-N 3.15Å; G652-F656 VanDerWaalsContact O-CD2 3.24Å; G652-F656 WeakPolarHBondContact O-CD2 3.48Å; G652-F656 WeakPolarHBondContact O-CE2 3.46Å
653	L	93.6	Very high	88.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-62	-30.8	-177.9	-166	61.9	0	0	0	112.7	L532 A648 I651 E655 F656 M657 A678 F679 L682	L532-L653 HydrophobicContact CD2-CD1 3.45Å; L532-L653 VanDerWaalsContact CD2-CD1 3.45Å; L532-L653 HydrophobicContact CD2-CG 4.36Å; A648-L653 HydrophobicContact CB-CB 4.13Å; A648-L653 HydrophobicContact CB-CD2 3.96Å; A648-L653 WeakPolarHBondContact O-CB 3.3Å; A648-L653 PolarHBondContact O-N 3.21Å; I651-L653 HydrophobicContact CD1-CB 4.14Å; I651-L653 HydrophobicContact CD1-CD1 4.23Å; I651-L653 HydrophobicContact CG1-CB 4.04Å; L653-E655 PolarHBondContact O-N 3.08Å; L653-F656 PolarHBondContact O-N 3.16Å; L653-M657 HydrophobicContact CG-CG 4.38Å; L653-M657 WeakPolarHBondContact O-CG 3.49Å; L653-M657 PolarHBondContact O-N 3.25Å; L653-A678 HydrophobicContact CD2-CB 3.87Å; L653-F679 HydrophobicContact CD2-CB 3.96Å; L653-L682 HydrophobicContact CD1-CD2 4.09Å
654	D	90.5	Very high	87.1	Confident	28 Å²	28	35.1 Å²	35.1	15%	0.15	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-59.3	-24.9	176	58.4	-49.3	0	0	0	113.1	G652 F656 M675	G652-D654 PolarHBondContact O-N 2.96Å; D654-F656 VanDerWaalsContact C-N 3.29Å; D654-F656 PolarHBondContact O-N 3.2Å; D654-M675 HydrophobicContact CB-CE 3.81Å; D654-M675 HydrophobicContact CB-SD 3.95Å
655	E	92	Very high	85.7	Confident	43 Å²	43	36 Å²	36	20%	0.201	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-71.5	-24	176.9	-58.7	-179.9	161.4	0	0	112.6	V186 A192 R517 G652 L653	V186-E655 WeakPolarHBondContact CG2-O 3.33Å; V186-E655 PolarHBondContact N-O 3.16Å; A192-E655 HydrophobicContact CB-CB 4.4Å; R517-E655 IonicContact CZ-OE2 3.61Å; R517-E655 VanDerWaalsContact CZ-OE2 3.32Å; R517-E655 IonicContact NH1-OE2 3.81Å; R517-E655 PolarHBondContact NH1-OE2 3.27Å; R517-E655 IonicContact NH2-OE2 3.19Å; R517-E655 PolarHBondContact NH2-OE2 3.49Å; G652-E655 WeakPolarHBondContact O-CB 3.48Å; G652-E655 PolarHBondContact O-N 3.08Å; G652-E655 VanDerWaalsContact O-N 3.15Å; L653-E655 PolarHBondContact O-N 3.08Å
656	F	94.6	Very high	84.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-12.1	-172.1	-54	-82.6	0	0	0	114.1	A192 F507 S510 L511 V513 L514 L532 G652 L653 D654 L658	A192-F656 HydrophobicContact CB-CD1 4.48Å; A192-F656 HydrophobicContact CB-CE1 3.57Å; A192-F656 HydrophobicContact CB-CZ 3.58Å; F507-F656 VanDerWaalsContact CE2-O 3.29Å; F507-F656 WeakPolarHBondContact CE2-O 3.39Å; S510-F656 VanDerWaalsContact O-CE1 3.31Å; S510-F656 WeakPolarHBondContact O-CE1 3.48Å; L511-F656 HydrophobicContact CD2-CD1 4.2Å; V513-F656 HydrophobicContact CB-CE1 4.34Å; V513-F656 HydrophobicContact CB-CZ 4.07Å; V513-F656 HydrophobicContact CG1-CZ 4.16Å; L514-F656 HydrophobicContact CB-CD1 4.2Å; L514-F656 HydrophobicContact CB-CD2 4.16Å; L514-F656 HydrophobicContact CB-CE1 3.94Å; L514-F656 HydrophobicContact CB-CE2 3.89Å; L514-F656 HydrophobicContact CB-CG 4.31Å; L514-F656 HydrophobicContact CB-CZ 3.78Å; L514-F656 HydrophobicContact CD1-CD2 4Å; L514-F656 HydrophobicContact CD1-CE2 3.94Å; L514-F656 HydrophobicContact CD2-CB 4.41Å; L514-F656 HydrophobicContact CD2-CD2 4.2Å; L514-F656 HydrophobicContact CD2-CG 4.19Å; L514-F656 HydrophobicContact CG-CD2 4.35Å; L514-F656 HydrophobicContact CG-CE2 4.38Å; L532-F656 HydrophobicContact CD1-CB 4.06Å; L532-F656 HydrophobicContact CD2-CB 4.28Å; G652-F656 VanDerWaalsContact O-CD2 3.24Å; G652-F656 WeakPolarHBondContact O-CD2 3.48Å; G652-F656 WeakPolarHBondContact O-CE2 3.46Å; L653-F656 PolarHBondContact O-N 3.16Å; D654-F656 VanDerWaalsContact C-N 3.29Å; D654-F656 PolarHBondContact O-N 3.2Å; F656-L658 PolarHBondContact O-N 3.16Å
657	M	92.9	Very high	83.6	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.015	21%	0.208	C	C	.	.			trans	-63.1	132.2	-177.7	-76.1	175.2	66.9	0	0	112.6	L653 Y659 A674 M675 A678	L653-M657 HydrophobicContact CG-CG 4.38Å; L653-M657 WeakPolarHBondContact O-CG 3.49Å; L653-M657 PolarHBondContact O-N 3.25Å; M657-Y659 HydrophobicContact CB-CD1 4.02Å; M657-Y659 HydrophobicContact CB-CE1 4.43Å; M657-A674 HydrophobicContact CE-CB 3.82Å; M657-A674 WeakPolarHBondContact CE-O 3.36Å; M657-M675 HydrophobicContact CE-CG 4.46Å; M657-M675 HydrophobicContact SD-CB 4.26Å; M657-M675 HydrophobicContact SD-CG 3.63Å; M657-A678 HydrophobicContact CE-CB 3.95Å; M657-A678 HydrophobicContact CG-CB 4.16Å; M657-A678 HydrophobicContact SD-CB 3.98Å
658	L	91.8	Very high	82.9	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-93.3	103.3	173.9	-61.6	176.7	0	0	0	109.4	V186 F507 E529 L532 H534 Y537 F656	V186-L658 HydrophobicContact CB-CD2 4.33Å; V186-L658 HydrophobicContact CG1-CD2 3.7Å; F507-L658 HydrophobicContact CD1-CD1 4.41Å; F507-L658 HydrophobicContact CD2-CD2 3.91Å; F507-L658 HydrophobicContact CE1-CD1 3.88Å; F507-L658 HydrophobicContact CE1-CG 4.43Å; F507-L658 HydrophobicContact CE2-CD1 4.3Å; F507-L658 HydrophobicContact CE2-CD2 3.78Å; F507-L658 HydrophobicContact CE2-CG 3.96Å; F507-L658 HydrophobicContact CG-CD2 4.38Å; F507-L658 HydrophobicContact CZ-CD1 3.8Å; F507-L658 HydrophobicContact CZ-CD2 4.15Å; F507-L658 HydrophobicContact CZ-CG 3.88Å; E529-L658 HydrophobicContact CG-CD1 4.19Å; L532-L658 PolarHBondContact O-N 3.32Å; H534-L658 WeakPolarHBondContact CB-O 3.3Å; H534-L658 PolarHBondContact N-O 3.45Å; Y537-L658 WeakPolarHBondContact CB-O 3.2Å; Y537-L658 HydrophobicContact CD1-CB 4.01Å; Y537-L658 HydrophobicContact CD1-CD1 4.48Å; Y537-L658 HydrophobicContact CD2-CB 3.96Å; Y537-L658 HydrophobicContact CE1-CB 4.17Å; Y537-L658 HydrophobicContact CE1-CD1 4.08Å; Y537-L658 HydrophobicContact CE2-CB 4.12Å; Y537-L658 HydrophobicContact CE2-CD2 4.35Å; Y537-L658 HydrophobicContact CG-CB 3.9Å; F656-L658 PolarHBondContact O-N 3.16Å
659	Y	86.9	Confident	82.3	Confident	21 Å²	21	51.8 Å²	51.8	8%	0.082	27%	0.265	C	S	.	.			trans	-142.4	164.9	176.5	69.6	-84	0	0	0	111.4	A187 M657 H661 L665	A187-Y659 HydrophobicContact CB-CE1 4.14Å; A187-Y659 HydrophobicContact CB-CE2 4.28Å; M657-Y659 HydrophobicContact CB-CD1 4.02Å; M657-Y659 HydrophobicContact CB-CE1 4.43Å; Y659-H661 AromaticContact CE2-CD2 3.9Å; Y659-H661 AromaticContact CE2-NE2 3.94Å; Y659-L665 HydrophobicContact CD2-CB 4.28Å; Y659-L665 HydrophobicContact CD2-CD1 4.21Å
660	V	79.1	Confident	81.9	Confident	64 Å²	64	49.7 Å²	49.7	39%	0.388	26%	0.262	S	S	.	.			trans	-104.2	138.3	175.7	173.4	0	0	0	0	109.4	S536 Y537 G662 L665	S536-V660 PolarHBondContact OG-N 2.9Å; Y537-V660 HydrophobicContact CD2-CG2 4.42Å; V660-G662 PolarHBondContact O-N 3.11Å; V660-L665 WeakPolarHBondContact O-CD1 3.41Å
661	H	71.1	Confident	81.6	Confident	29 Å²	29	46.7 Å²	46.7	13%	0.134	25%	0.25	C	S	.	.			trans	-64.9	83.3	168.2	-63.5	118.3	0	0	0	110.4	C177 A187 H188 Y659	C177-H661 PolarHBondContact SG-CD2 2.95Å; A187-H661 WeakPolarHBondContact CB-CE1 3.45Å; A187-H661 PolarHBondContact O-CE1 3.15Å; H188-H661 AromaticContact CD2-CE1 3.59Å; H188-H661 AromaticContact CE1-CE1 3.59Å; H188-H661 AromaticContact CE1-NE2 3.25Å; H188-H661 PolarHBondContact CE1-NE2 3.26Å; H188-H661 AromaticContact NE2-CE1 3.26Å; H188-H661 PolarHBondContact NE2-CE1 3.39Å; H188-H661 VanDerWaalsContact NE2-CE1 3.26Å; H188-H661 AromaticContact NE2-NE2 3.21Å; H188-H661 PolarHBondContact NE2-NE2 3.1Å; Y659-H661 AromaticContact CE2-CD2 3.9Å; Y659-H661 AromaticContact CE2-NE2 3.94Å
662	G	66.9	Low	81.5	Confident	23 Å²	23	49.3 Å²	49.3	24%	0.237	26%	0.261	C	S	.	.			trans	-84.2	169.8	163.6	0	0	0	0	0	110.8	V660 D664 C666	V660-G662 PolarHBondContact O-N 3.11Å; G662-D664 PolarHBondContact O-N 2.72Å; G662-C666 PolarHBondContact O-SG 2.9Å
663	P	60.6	Low	81.4	Confident	99 Å²	99	53 Å²	53	64%	0.643	28%	0.276	S	S	*	.	S	Bend	trans	-55.9	-35.9	171.8	22.6	-31.1	0	0	0	112.1
664	D	58.5	Low	81.4	Confident	109 Å²	109	53.3 Å²	53.3	58%	0.583	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-74.8	-55.7	-175	-45.4	-30.7	0	0	0	111.5	G662 C666 H667	G662-D664 PolarHBondContact O-N 2.72Å; D664-C666 PolarHBondContact O-N 2.76Å; D664-H667 WeakPolarHBondContact O-CB 3.45Å; D664-H667 PolarHBondContact O-CD2 3.13Å; D664-H667 PolarHBondContact O-N 3.44Å
665	L	68.4	Low	81.5	Confident	20 Å²	20	52 Å²	52	11%	0.105	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-68.4	4.4	-178	-70.2	163.5	0	0	0	115.4	S536 Y659 V660 H667 A674	S536-L665 VanDerWaalsContact OG-CD1 3.28Å; S536-L665 WeakPolarHBondContact OG-CD1 3.48Å; Y659-L665 HydrophobicContact CD2-CB 4.28Å; Y659-L665 HydrophobicContact CD2-CD1 4.21Å; V660-L665 WeakPolarHBondContact O-CD1 3.41Å; L665-H667 VanDerWaalsContact C-N 3.35Å; L665-A674 HydrophobicContact CD2-CB 4.12Å
666	C	68	Low	81.7	Confident	38 Å²	38	50 Å²	50	26%	0.257	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-82.4	-17	167.9	-68.6	0	0	0	0	112.2	G662 D664	G662-C666 PolarHBondContact O-SG 2.9Å; D664-C666 PolarHBondContact O-N 2.76Å
667	H	77.5	Confident	81.8	Confident	121 Å²	121	51.9 Å²	51.9	56%	0.56	27%	0.272	S	S	*	.	S	Bend	trans	-82.5	141.9	177.9	-68.2	-71.2	0	0	0	111.4	D664 L665 E669 D670 L671	D664-H667 WeakPolarHBondContact O-CB 3.45Å; D664-H667 PolarHBondContact O-CD2 3.13Å; D664-H667 PolarHBondContact O-N 3.44Å; L665-H667 VanDerWaalsContact C-N 3.35Å; H667-E669 VanDerWaalsContact C-N 3.32Å; H667-E669 PolarHBondContact O-N 3.06Å; H667-D670 PolarHBondContact O-N 3.37Å; H667-L671 PolarHBondContact O-N 3.2Å; H667-L671 VanDerWaalsContact O-N 3.12Å
668	E	80.6	Confident	82	Confident	111 Å²	111	51.8 Å²	51.8	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-34.6	-175	-167.4	-175.5	154.9	0	0	112.5	L671 K672	E668-L671 PolarHBondContact O-N 3.04Å; E668-K672 WeakPolarHBondContact O-CG 3.45Å; E668-K672 PolarHBondContact O-N 3.19Å; E668-K672 WeakPolarHBondContact OE1-CE 3.45Å; E668-K672 IonicContact OE1-NZ 4Å; E668-K672 PolarHBondContact OE1-NZ 3.35Å
669	E	84.3	Confident	82.3	Confident	147 Å²	147	51.7 Å²	51.7	69%	0.687	27%	0.272	S	S	*	.	H	α-helix	trans	-65.3	-49	178.5	-65.3	179	-179.9	0	0	111.5	H667 L671 K672 H673	H667-E669 VanDerWaalsContact C-N 3.32Å; H667-E669 PolarHBondContact O-N 3.06Å; E669-L671 VanDerWaalsContact C-N 3.27Å; E669-L671 PolarHBondContact O-N 3.45Å; E669-K672 WeakPolarHBondContact O-CB 3.33Å; E669-K672 PolarHBondContact O-N 3.21Å; E669-K672 VanDerWaalsContact O-N 3.15Å; E669-H673 PolarHBondContact O-CD2 3.46Å; E669-H673 PolarHBondContact O-N 2.94Å
670	D	84.7	Confident	82.8	Confident	67 Å²	67	51.1 Å²	51.1	36%	0.358	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-37.5	176.5	-70.3	-40.2	0	0	0	111.8	H667 A674	H667-D670 PolarHBondContact O-N 3.37Å; D670-A674 WeakPolarHBondContact O-CB 3.31Å; D670-A674 PolarHBondContact O-N 3.44Å
671	L	85.4	Confident	83.7	Confident	33 Å²	33	48.1 Å²	48.1	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-42.9	174.8	-176.8	63.3	0	0	0	111.7	H667 E668 E669 H673 A674 M675	H667-L671 PolarHBondContact O-N 3.2Å; H667-L671 VanDerWaalsContact O-N 3.12Å; E668-L671 PolarHBondContact O-N 3.04Å; E669-L671 VanDerWaalsContact C-N 3.27Å; E669-L671 PolarHBondContact O-N 3.45Å; L671-H673 VanDerWaalsContact C-N 3.34Å; L671-H673 PolarHBondContact O-N 3.28Å; L671-A674 PolarHBondContact O-N 2.98Å; L671-M675 HydrophobicContact CD1-CG 4.46Å; L671-M675 HydrophobicContact CG-CG 4.43Å; L671-M675 HydrophobicContact CG-SD 4.24Å; L671-M675 WeakPolarHBondContact O-CB 3.31Å; L671-M675 VanDerWaalsContact O-CG 3.24Å; L671-M675 WeakPolarHBondContact O-CG 3.32Å; L671-M675 PolarHBondContact O-N 3.11Å
672	K	90.7	Very high	84.9	Confident	70 Å²	70	46.7 Å²	46.7	30%	0.304	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-45.4	175.6	-77.4	172.2	-177.9	163.8	0	111.1	A645 E668 E669 M675 A676	A645-K672 HydrophobicContact CB-CB 4.02Å; A645-K672 HydrophobicContact CB-CG 4.37Å; A645-K672 VanDerWaalsContact CB-O 3.31Å; A645-K672 WeakPolarHBondContact CB-O 3.43Å; E668-K672 WeakPolarHBondContact O-CG 3.45Å; E668-K672 PolarHBondContact O-N 3.19Å; E668-K672 WeakPolarHBondContact OE1-CE 3.45Å; E668-K672 IonicContact OE1-NZ 4Å; E668-K672 PolarHBondContact OE1-NZ 3.35Å; E669-K672 WeakPolarHBondContact O-CB 3.33Å; E669-K672 PolarHBondContact O-N 3.21Å; E669-K672 VanDerWaalsContact O-N 3.15Å; K672-M675 PolarHBondContact O-N 3.3Å; K672-A676 PolarHBondContact O-N 2.81Å
673	H	92.1	Very high	86.4	Confident	85 Å²	85	45.6 Å²	45.6	39%	0.394	23%	0.234	S	C	.	.	H	α-helix	trans	-59.6	-48.1	174.6	-75.5	-60.3	0	0	0	111.9	E669 L671 M675 A676 N677	E669-H673 PolarHBondContact O-CD2 3.46Å; E669-H673 PolarHBondContact O-N 2.94Å; L671-H673 VanDerWaalsContact C-N 3.34Å; L671-H673 PolarHBondContact O-N 3.28Å; H673-M675 VanDerWaalsContact C-N 3.28Å; H673-M675 PolarHBondContact O-N 3.02Å; H673-A676 PolarHBondContact O-N 3.5Å; H673-N677 PolarHBondContact O-N 3.3Å; H673-N677 VanDerWaalsContact O-N 3.12Å; H673-N677 PolarHBondContact O-OD1 3.17Å
674	A	92.3	Very high	88.1	Confident	7 Å²	7	40.9 Å²	40.9	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-34.8	177.6	0	0	0	0	0	113	M657 L665 D670 L671 A678	M657-A674 HydrophobicContact CE-CB 3.82Å; M657-A674 WeakPolarHBondContact CE-O 3.36Å; L665-A674 HydrophobicContact CD2-CB 4.12Å; D670-A674 WeakPolarHBondContact O-CB 3.31Å; D670-A674 PolarHBondContact O-N 3.44Å; L671-A674 PolarHBondContact O-N 2.98Å; A674-A678 VanDerWaalsContact O-CB 3.3Å; A674-A678 WeakPolarHBondContact O-CB 3.37Å; A674-A678 PolarHBondContact O-N 3.06Å
675	M	93.5	Very high	90	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-41.7	175.7	-74	176.1	69.6	0	0	112.2	A648 R649 D654 M657 L671 K672 H673 A678 F679	A648-M675 HydrophobicContact CB-CB 4.15Å; A648-M675 HydrophobicContact CB-CE 4.05Å; R649-M675 HydrophobicContact CB-CE 3.75Å; R649-M675 HydrophobicContact CG-CE 4.37Å; D654-M675 HydrophobicContact CB-CE 3.81Å; D654-M675 HydrophobicContact CB-SD 3.95Å; M657-M675 HydrophobicContact CE-CG 4.46Å; M657-M675 HydrophobicContact SD-CB 4.26Å; M657-M675 HydrophobicContact SD-CG 3.63Å; L671-M675 HydrophobicContact CD1-CG 4.46Å; L671-M675 HydrophobicContact CG-CG 4.43Å; L671-M675 HydrophobicContact CG-SD 4.24Å; L671-M675 WeakPolarHBondContact O-CB 3.31Å; L671-M675 VanDerWaalsContact O-CG 3.24Å; L671-M675 WeakPolarHBondContact O-CG 3.32Å; L671-M675 PolarHBondContact O-N 3.11Å; K672-M675 PolarHBondContact O-N 3.3Å; H673-M675 VanDerWaalsContact C-N 3.28Å; H673-M675 PolarHBondContact O-N 3.02Å; M675-A678 PolarHBondContact O-N 3.5Å; M675-F679 WeakPolarHBondContact O-CB 3.23Å; M675-F679 PolarHBondContact O-N 3.45Å
676	A	96.5	Very high	91.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-51.6	175.9	0	0	0	0	0	111	N641 L644 A645 K672 H673 A678 F679 E680	N641-A676 HydrophobicContact CB-CB 3.99Å; N641-A676 WeakPolarHBondContact O-CB 3.29Å; L644-A676 HydrophobicContact CB-CB 3.96Å; A645-A676 HydrophobicContact CB-CB 4.37Å; K672-A676 PolarHBondContact O-N 2.81Å; H673-A676 PolarHBondContact O-N 3.5Å; A676-A678 VanDerWaalsContact C-N 3.27Å; A676-A678 PolarHBondContact O-N 3.45Å; A676-F679 WeakPolarHBondContact O-CB 3.32Å; A676-F679 PolarHBondContact O-N 3.19Å; A676-E680 PolarHBondContact O-N 2.88Å
677	N	96.5	Very high	92.7	Very high	40 Å²	40	33.9 Å²	33.9	21%	0.214	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-37.7	176.8	-68.9	36.7	0	0	0	112.4	E604 H673 F679 A681	E604-N677 HydrophobicContact CG-CB 4.13Å; E604-N677 PolarHBondContact OE1-ND2 3.23Å; E604-N677 WeakPolarHBondContact OE2-CB 3.24Å; E604-N677 PolarHBondContact OE2-ND2 3.47Å; H673-N677 PolarHBondContact O-N 3.3Å; H673-N677 VanDerWaalsContact O-N 3.12Å; H673-N677 PolarHBondContact O-OD1 3.17Å; N677-F679 VanDerWaalsContact C-N 3.34Å; N677-A681 WeakPolarHBondContact O-CB 3.26Å; N677-A681 PolarHBondContact O-N 3.48Å
678	A	96.7	Very high	93.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-68.6	-33.5	176	0	0	0	0	0	112.4	L653 M657 A674 M675 A676 A681 L682	L653-A678 HydrophobicContact CD2-CB 3.87Å; M657-A678 HydrophobicContact CE-CB 3.95Å; M657-A678 HydrophobicContact CG-CB 4.16Å; M657-A678 HydrophobicContact SD-CB 3.98Å; A674-A678 VanDerWaalsContact O-CB 3.3Å; A674-A678 WeakPolarHBondContact O-CB 3.37Å; A674-A678 PolarHBondContact O-N 3.06Å; M675-A678 PolarHBondContact O-N 3.5Å; A676-A678 VanDerWaalsContact C-N 3.27Å; A676-A678 PolarHBondContact O-N 3.45Å; A678-A681 PolarHBondContact O-N 3.05Å; A678-L682 WeakPolarHBondContact O-CB 3.5Å; A678-L682 PolarHBondContact O-N 2.9Å
679	F	97.5	Very high	94.1	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-69.5	-43	175.6	-176.1	-104.6	0	0	0	111.6	I611 L644 L647 A648 I651 L653 M675 A676 N677 A681 L682 L683 Y699	I611-F679 HydrophobicContact CD1-CD1 4.45Å; L644-F679 HydrophobicContact CB-CD1 4.32Å; L644-F679 HydrophobicContact CD2-CD1 4.08Å; L644-F679 HydrophobicContact CD2-CE1 4.1Å; L647-F679 HydrophobicContact CB-CE1 4.18Å; L647-F679 HydrophobicContact CB-CE2 4.36Å; L647-F679 HydrophobicContact CB-CZ 3.98Å; L647-F679 HydrophobicContact CD1-CE1 4.13Å; L647-F679 HydrophobicContact CD1-CZ 4.33Å; A648-F679 HydrophobicContact CB-CB 3.86Å; A648-F679 HydrophobicContact CB-CD2 4.21Å; A648-F679 HydrophobicContact CB-CG 4.23Å; I651-F679 HydrophobicContact CD1-CD2 3.91Å; I651-F679 HydrophobicContact CD1-CE2 3.98Å; L653-F679 HydrophobicContact CD2-CB 3.96Å; M675-F679 WeakPolarHBondContact O-CB 3.23Å; M675-F679 PolarHBondContact O-N 3.45Å; A676-F679 WeakPolarHBondContact O-CB 3.32Å; A676-F679 PolarHBondContact O-N 3.19Å; N677-F679 VanDerWaalsContact C-N 3.34Å; F679-A681 PolarHBondContact O-N 2.94Å; F679-L682 WeakPolarHBondContact O-CB 3.49Å; F679-L682 PolarHBondContact O-N 2.85Å; F679-L683 HydrophobicContact CD1-CD1 4.08Å; F679-L683 HydrophobicContact CE1-CD1 3.59Å; F679-L683 HydrophobicContact CE1-CG 4.45Å; F679-L683 HydrophobicContact CZ-CD1 3.94Å; F679-L683 PolarHBondContact O-N 2.71Å; F679-Y699 HydrophobicContact CE1-CD2 4.21Å; F679-Y699 HydrophobicContact CE1-CE2 4.22Å; F679-Y699 HydrophobicContact CZ-CD2 4.22Å
680	E	97.8	Very high	94.5	Very high	9 Å²	9	20.2 Å²	20.2	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-56.3	-51.2	169.2	-71.3	168.5	161.2	0	0	110.8	E604 G607 I611 L644 A676 L682 L683 G684	E604-E680 HydrophobicContact CG-CB 4.31Å; E604-E680 WeakPolarHBondContact CG-OE2 3.48Å; G607-E680 VanDerWaalsContact CA-O 3.28Å; G607-E680 WeakPolarHBondContact CA-O 3.35Å; I611-E680 HydrophobicContact CD1-CB 4.37Å; I611-E680 HydrophobicContact CD1-CG 3.65Å; L644-E680 HydrophobicContact CD1-CG 3.89Å; L644-E680 WeakPolarHBondContact CD1-OE1 3.31Å; A676-E680 PolarHBondContact O-N 2.88Å; E680-L682 VanDerWaalsContact C-N 3.27Å; E680-L682 PolarHBondContact O-N 3.02Å; E680-L683 PolarHBondContact O-N 3.23Å; E680-L683 VanDerWaalsContact O-N 3.12Å; E680-G684 PolarHBondContact O-N 3.2Å
681	A	97.9	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.1	-35.4	178.4	0	0	0	0	0	113.5	A531 N600 L603 E604 N677 A678 F679 G684 A685	A531-A681 HydrophobicContact CB-CB 4.42Å; N600-A681 HydrophobicContact CB-CB 3.75Å; L603-A681 HydrophobicContact CB-CB 3.81Å; E604-A681 HydrophobicContact CB-CB 4.42Å; N677-A681 WeakPolarHBondContact O-CB 3.26Å; N677-A681 PolarHBondContact O-N 3.48Å; A678-A681 PolarHBondContact O-N 3.05Å; F679-A681 PolarHBondContact O-N 2.94Å; A681-G684 PolarHBondContact O-N 3.29Å; A681-A685 WeakPolarHBondContact O-CB 3.34Å; A681-A685 PolarHBondContact O-N 3.15Å
682	L	97.6	Very high	95.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-45.1	174.7	177.2	65.2	0	0	0	111.3	L518 F522 L528 I651 L653 A678 F679 E680 A685 L686	L518-L682 HydrophobicContact CD1-CD1 4.18Å; L518-L682 HydrophobicContact CD1-CD2 4.2Å; L518-L682 HydrophobicContact CD2-CD2 4.21Å; F522-L682 HydrophobicContact CE2-CD1 4.46Å; F522-L682 HydrophobicContact CZ-CD1 4.1Å; L528-L682 HydrophobicContact CD1-CD1 3.72Å; I651-L682 HydrophobicContact CD1-CD2 3.77Å; L653-L682 HydrophobicContact CD1-CD2 4.09Å; A678-L682 WeakPolarHBondContact O-CB 3.5Å; A678-L682 PolarHBondContact O-N 2.9Å; F679-L682 WeakPolarHBondContact O-CB 3.49Å; F679-L682 PolarHBondContact O-N 2.85Å; E680-L682 VanDerWaalsContact C-N 3.27Å; E680-L682 PolarHBondContact O-N 3.02Å; L682-A685 WeakPolarHBondContact O-CB 3.35Å; L682-A685 PolarHBondContact O-N 2.85Å; L682-L686 HydrophobicContact CG-CD1 4.32Å; L682-L686 WeakPolarHBondContact O-CG 3.28Å; L682-L686 PolarHBondContact O-N 3.43Å
683	L	97.3	Very high	95.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67	-37.9	176.7	-66.3	176.3	0	0	0	111.6	I611 F679 E680 A685 L686 F687 T695 V698 Y699	I611-L683 HydrophobicContact CD1-CD1 3.58Å; I611-L683 HydrophobicContact CG1-CB 4.45Å; I611-L683 HydrophobicContact CG1-CD1 3.42Å; I611-L683 VanDerWaalsContact CG1-CD1 3.42Å; F679-L683 HydrophobicContact CD1-CD1 4.08Å; F679-L683 HydrophobicContact CE1-CD1 3.59Å; F679-L683 HydrophobicContact CE1-CG 4.45Å; F679-L683 HydrophobicContact CZ-CD1 3.94Å; F679-L683 PolarHBondContact O-N 2.71Å; E680-L683 PolarHBondContact O-N 3.23Å; E680-L683 VanDerWaalsContact O-N 3.12Å; L683-A685 VanDerWaalsContact C-N 3.31Å; L683-A685 PolarHBondContact O-N 2.93Å; L683-L686 HydrophobicContact CD2-CD1 4.03Å; L683-L686 PolarHBondContact O-N 2.95Å; L683-F687 WeakPolarHBondContact O-CB 3.48Å; L683-F687 PolarHBondContact O-N 3.18Å; L683-T695 HydrophobicContact CB-CG2 4.01Å; L683-T695 HydrophobicContact CD2-CG2 3.83Å; L683-T695 HydrophobicContact CG-CG2 4.48Å; L683-V698 HydrophobicContact CD2-CG1 4.43Å; L683-Y699 HydrophobicContact CD1-CD2 3.82Å; L683-Y699 HydrophobicContact CD1-CE2 4.44Å; L683-Y699 HydrophobicContact CD1-CG 4.42Å
684	G	97.2	Very high	95.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.5	-36.8	170.7	0	0	0	0	0	113	E680 A681 L688	E680-G684 PolarHBondContact O-N 3.2Å; A681-G684 PolarHBondContact O-N 3.29Å; G684-L688 WeakPolarHBondContact O-CG 3.41Å; G684-L688 PolarHBondContact O-N 3.21Å
685	A	96.9	Very high	95.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.3	-42.3	174.3	0	0	0	0	0	112.6	F522 L527 A531 L603 A681 L682 L683 F687 L688 D689	F522-A685 HydrophobicContact CE1-CB 4.12Å; L527-A685 HydrophobicContact CD1-CB 4.49Å; L527-A685 HydrophobicContact CD2-CB 4.29Å; L527-A685 WeakPolarHBondContact CD2-O 3.28Å; L527-A685 HydrophobicContact CG-CB 3.94Å; A531-A685 HydrophobicContact CB-CB 3.84Å; L603-A685 HydrophobicContact CD1-CB 4.37Å; L603-A685 HydrophobicContact CD2-CB 4.46Å; A681-A685 WeakPolarHBondContact O-CB 3.34Å; A681-A685 PolarHBondContact O-N 3.15Å; L682-A685 WeakPolarHBondContact O-CB 3.35Å; L682-A685 PolarHBondContact O-N 2.85Å; L683-A685 VanDerWaalsContact C-N 3.31Å; L683-A685 PolarHBondContact O-N 2.93Å; A685-F687 VanDerWaalsContact C-N 3.3Å; A685-F687 PolarHBondContact O-N 3.27Å; A685-L688 PolarHBondContact O-N 2.74Å; A685-D689 WeakPolarHBondContact O-CB 3.41Å; A685-D689 PolarHBondContact O-N 3.09Å
686	L	96.5	Very high	95.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.8	-42.1	173.8	-76.3	166	0	0	0	111.2	Y520 F522 L682 L683 L688 D689 G690 G691 V694 T695 V698	Y520-L686 HydrophobicContact CD1-CD2 3.35Å; Y520-L686 HydrophobicContact CE1-CD2 3.73Å; Y520-L686 HydrophobicContact CG-CD2 4.02Å; F522-L686 HydrophobicContact CE1-CD2 4.16Å; F522-L686 HydrophobicContact CE1-CG 4.44Å; F522-L686 HydrophobicContact CE2-CD2 3.69Å; F522-L686 HydrophobicContact CE2-CG 4.36Å; F522-L686 HydrophobicContact CZ-CD2 3.4Å; F522-L686 VanDerWaalsContact CZ-CD2 3.4Å; F522-L686 HydrophobicContact CZ-CG 3.69Å; L682-L686 HydrophobicContact CG-CD1 4.32Å; L682-L686 WeakPolarHBondContact O-CG 3.28Å; L682-L686 PolarHBondContact O-N 3.43Å; L683-L686 HydrophobicContact CD2-CD1 4.03Å; L683-L686 PolarHBondContact O-N 2.95Å; L686-L688 VanDerWaalsContact C-N 3.29Å; L686-L688 PolarHBondContact O-N 3.38Å; L686-D689 PolarHBondContact O-N 2.66Å; L686-G690 WeakPolarHBondContact O-CA 3.34Å; L686-G690 PolarHBondContact O-N 3.08Å; L686-G691 PolarHBondContact O-N 2.97Å; L686-V694 HydrophobicContact CD2-CG1 4.41Å; L686-T695 HydrophobicContact CB-CG2 4.3Å; L686-V698 HydrophobicContact CD1-CB 4.07Å; L686-V698 HydrophobicContact CD1-CG1 3.8Å; L686-V698 HydrophobicContact CD1-CG2 4.15Å
687	F	96.5	Very high	95.6	Very high	19 Å²	19	20 Å²	20	8%	0.083	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-38	177.1	173.2	-110.1	0	0	0	112.3	L606 V610 L683 A685 G691 I692 T695 L794 E798	L606-F687 HydrophobicContact CD1-CD1 4.33Å; L606-F687 HydrophobicContact CD1-CE1 4.24Å; L606-F687 HydrophobicContact CD2-CD1 4.03Å; L606-F687 HydrophobicContact CD2-CE1 4.49Å; L606-F687 HydrophobicContact CG-CD1 4.21Å; V610-F687 HydrophobicContact CG1-CB 4.42Å; V610-F687 HydrophobicContact CG2-CB 3.93Å; V610-F687 HydrophobicContact CG2-CD1 3.8Å; V610-F687 HydrophobicContact CG2-CD2 4.18Å; V610-F687 HydrophobicContact CG2-CE1 4.37Å; V610-F687 HydrophobicContact CG2-CG 3.7Å; L683-F687 WeakPolarHBondContact O-CB 3.48Å; L683-F687 PolarHBondContact O-N 3.18Å; A685-F687 VanDerWaalsContact C-N 3.3Å; A685-F687 PolarHBondContact O-N 3.27Å; F687-G691 VanDerWaalsContact O-CA 3.23Å; F687-G691 WeakPolarHBondContact O-CA 3.37Å; F687-G691 PolarHBondContact O-N 2.87Å; F687-I692 HydrophobicContact CD2-CB 4.19Å; F687-I692 HydrophobicContact CD2-CD1 3.95Å; F687-I692 HydrophobicContact CE2-CB 4.15Å; F687-I692 HydrophobicContact CE2-CD1 4.14Å; F687-T695 VanDerWaalsContact CA-OG1 3.26Å; F687-T695 WeakPolarHBondContact CA-OG1 3.28Å; F687-T695 PolarHBondContact N-OG1 2.95Å; F687-L794 HydrophobicContact CE1-CD1 4.46Å; F687-L794 HydrophobicContact CZ-CD1 4.3Å; F687-E798 HydrophobicContact CE1-CB 4.45Å; F687-E798 HydrophobicContact CE1-CG 4.06Å; F687-E798 HydrophobicContact CZ-CG 4.45Å
688	L	94.7	Very high	95.5	Very high	34 Å²	34	18.3 Å²	18.3	18%	0.178	11%	0.111	C	C	.	.	H	α-helix	trans	-78.5	-24.1	178.4	-70.6	174.9	0	0	0	114.6	R26 L527 L603 L606 G684 A685 L686 Y801	R26-L688 PolarHBondContact NH2-O 2.99Å; L527-L688 HydrophobicContact CD1-CD1 4.44Å; L527-L688 HydrophobicContact CD2-CB 4Å; L603-L688 HydrophobicContact CD2-CD1 3.67Å; L606-L688 HydrophobicContact CD2-CD1 3.68Å; L606-L688 HydrophobicContact CD2-CD2 3.73Å; L606-L688 HydrophobicContact CD2-CG 3.59Å; G684-L688 WeakPolarHBondContact O-CG 3.41Å; G684-L688 PolarHBondContact O-N 3.21Å; A685-L688 PolarHBondContact O-N 2.74Å; L686-L688 VanDerWaalsContact C-N 3.29Å; L686-L688 PolarHBondContact O-N 3.38Å; L688-Y801 HydrophobicContact CD1-CD1 4.14Å; L688-Y801 HydrophobicContact CD1-CE1 3.44Å; L688-Y801 VanDerWaalsContact CD1-CE1 3.44Å; L688-Y801 HydrophobicContact CD2-CD1 4.47Å; L688-Y801 HydrophobicContact CD2-CE1 4.44Å
689	D	93.8	Very high	95.4	Very high	30 Å²	30	18.3 Å²	18.3	16%	0.16	11%	0.111	C	C	.	.	H	α-helix	trans	-96.1	-51.4	-178.4	-164.5	70.9	0	0	0	112	Y520 F522 S523 D524 L527 A685 L686	Y520-D689 WeakPolarHBondContact CE1-OD2 3.43Å; Y520-D689 PolarHBondContact OH-OD2 3.1Å; F522-D689 WeakPolarHBondContact CA-OD2 3.27Å; F522-D689 HydrophobicContact CD1-CB 3.9Å; F522-D689 HydrophobicContact CE1-CB 4.14Å; S523-D689 PolarHBondContact N-OD1 2.99Å; S523-D689 PolarHBondContact N-OD2 3.21Å; D524-D689 PolarHBondContact N-OD1 3.17Å; D524-D689 VanDerWaalsContact N-OD1 3.16Å; L527-D689 HydrophobicContact CD2-CB 4.11Å; A685-D689 WeakPolarHBondContact O-CB 3.41Å; A685-D689 PolarHBondContact O-N 3.09Å; L686-D689 PolarHBondContact O-N 2.66Å
690	G	91.7	Very high	95.3	Very high	28 Å²	28	18.2 Å²	18.2	29%	0.289	11%	0.111	S	C	.	.	H	α-helix	trans	-109.9	-4.5	-174.6	0	0	0	0	0	115.3	Y520 L686 V694	Y520-G690 VanDerWaalsContact OH-CA 3.23Å; Y520-G690 WeakPolarHBondContact OH-CA 3.47Å; Y520-G690 PolarHBondContact OH-N 2.83Å; L686-G690 WeakPolarHBondContact O-CA 3.34Å; L686-G690 PolarHBondContact O-N 3.08Å; G690-V694 VanDerWaalsContact O-CG2 3.24Å; G690-V694 WeakPolarHBondContact O-CG2 3.26Å
691	G	93.6	Very high	95	Very high	27 Å²	27	19.9 Å²	19.9	28%	0.278	12%	0.122	S	C	.	.	H	α-helix	trans	80.8	-175	-180	0	0	0	0	0	114.3	L686 F687 T695	L686-G691 PolarHBondContact O-N 2.97Å; F687-G691 VanDerWaalsContact O-CA 3.23Å; F687-G691 WeakPolarHBondContact O-CA 3.37Å; F687-G691 PolarHBondContact O-N 2.87Å; G691-T695 PolarHBondContact O-N 3.02Å; G691-T695 PolarHBondContact O-OG1 2.95Å
692	I	93.2	Very high	94.8	Very high	38 Å²	38	20.5 Å²	20.5	20%	0.195	13%	0.126	C	C	.	.	H	α-helix	trans	-69.3	-39.5	-171.4	-164.8	63.7	0	0	0	113.1	V610 F613 L614 F687 V694 T695 D696	V610-I692 HydrophobicContact CG1-CD1 4.09Å; F613-I692 HydrophobicContact CD1-CD1 3.95Å; F613-I692 HydrophobicContact CD1-CG1 4.41Å; F613-I692 HydrophobicContact CE1-CD1 3.95Å; F613-I692 HydrophobicContact CE1-CG1 3.91Å; L614-I692 HydrophobicContact CD2-CD1 3.76Å; L614-I692 HydrophobicContact CD2-CG1 4.04Å; L614-I692 HydrophobicContact CG-CD1 4.18Å; F687-I692 HydrophobicContact CD2-CB 4.19Å; F687-I692 HydrophobicContact CD2-CD1 3.95Å; F687-I692 HydrophobicContact CE2-CB 4.15Å; F687-I692 HydrophobicContact CE2-CD1 4.14Å; I692-V694 PolarHBondContact O-N 3.49Å; I692-T695 PolarHBondContact O-N 2.87Å; I692-D696 PolarHBondContact O-N 3.35Å
693	A	92.6	Very high	94.6	Very high	57 Å²	57	21 Å²	21	47%	0.471	13%	0.129	S	C	.	.	H	α-helix	trans	-64.6	-41	-177.3	0	0	0	0	0	112.6	T695 R697	A693-T695 VanDerWaalsContact C-N 3.33Å; A693-R697 PolarHBondContact O-N 3.26Å; A693-R697 VanDerWaalsContact O-N 3.07Å
694	V	94.6	Very high	94.4	Very high	26 Å²	26	23.6 Å²	23.6	16%	0.158	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-42.3	174.7	173.5	0	0	0	0	110.5	Y520 L686 G690 I692 R697 V698	Y520-V694 HydrophobicContact CD1-CG1 4.48Å; Y520-V694 HydrophobicContact CD2-CG1 3.37Å; Y520-V694 HydrophobicContact CD2-CG2 4.44Å; Y520-V694 HydrophobicContact CE2-CB 4.45Å; Y520-V694 HydrophobicContact CE2-CG1 3.58Å; Y520-V694 HydrophobicContact CE2-CG2 4.16Å; Y520-V694 HydrophobicContact CG-CG1 3.87Å; L686-V694 HydrophobicContact CD2-CG1 4.41Å; G690-V694 VanDerWaalsContact O-CG2 3.24Å; G690-V694 WeakPolarHBondContact O-CG2 3.26Å; I692-V694 PolarHBondContact O-N 3.49Å; V694-R697 PolarHBondContact O-N 2.97Å; V694-V698 WeakPolarHBondContact O-CG2 3.19Å; V694-V698 PolarHBondContact O-N 3.21Å
695	T	95.3	Very high	94.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65	-42.2	-179.3	-50.9	0	0	0	0	111.3	V610 L614 L683 L686 F687 G691 I692 A693 V698 Y699	V610-T695 HydrophobicContact CG1-CG2 3.77Å; L614-T695 HydrophobicContact CD1-CG2 4.12Å; L683-T695 HydrophobicContact CB-CG2 4.01Å; L683-T695 HydrophobicContact CD2-CG2 3.83Å; L683-T695 HydrophobicContact CG-CG2 4.48Å; L686-T695 HydrophobicContact CB-CG2 4.3Å; F687-T695 VanDerWaalsContact CA-OG1 3.26Å; F687-T695 WeakPolarHBondContact CA-OG1 3.28Å; F687-T695 PolarHBondContact N-OG1 2.95Å; G691-T695 PolarHBondContact O-N 3.02Å; G691-T695 PolarHBondContact O-OG1 2.95Å; I692-T695 PolarHBondContact O-N 2.87Å; A693-T695 VanDerWaalsContact C-N 3.33Å; T695-V698 PolarHBondContact O-N 2.78Å; T695-Y699 VanDerWaalsContact O-CB 3.28Å; T695-Y699 WeakPolarHBondContact O-CB 3.35Å; T695-Y699 PolarHBondContact O-N 3.07Å
696	D	95.2	Very high	93.7	Very high	12 Å²	12	28 Å²	28	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-45.9	175.8	-171.8	39.6	0	0	0	112.2	L614 H618 I692 V698 Y699 G700	L614-D696 HydrophobicContact CD1-CB 4.35Å; L614-D696 HydrophobicContact CD2-CB 3.7Å; H618-D696 IonicContact CD2-OD1 3.5Å; H618-D696 PolarHBondContact CD2-OD1 3.09Å; H618-D696 IonicContact CE1-OD1 3.7Å; H618-D696 IonicContact CE1-OD2 2.82Å; H618-D696 VanDerWaalsContact NE2-CG 3.33Å; H618-D696 IonicContact NE2-OD1 2.7Å; H618-D696 PolarHBondContact NE2-OD1 3.31Å; H618-D696 IonicContact NE2-OD2 2.62Å; H618-D696 PolarHBondContact NE2-OD2 3.33Å; I692-D696 PolarHBondContact O-N 3.35Å; D696-V698 PolarHBondContact O-N 3.42Å; D696-Y699 PolarHBondContact O-N 3.07Å; D696-G700 PolarHBondContact O-N 3.4Å
697	R	94.5	Very high	93.3	Very high	97 Å²	97	37 Å²	37	37%	0.366	21%	0.211	S	C	.	.	H	α-helix	trans	-56.2	-50	174.6	-173	-167.8	70	-154.7	5.2	111.7	Q519 A693 V694 C701	Q519-R697 PolarHBondContact O-NH2 3.18Å; A693-R697 PolarHBondContact O-N 3.26Å; A693-R697 VanDerWaalsContact O-N 3.07Å; V694-R697 PolarHBondContact O-N 2.97Å; R697-C701 VanDerWaalsContact O-CB 3.27Å; R697-C701 WeakPolarHBondContact O-CB 3.2Å; R697-C701 PolarHBondContact O-N 3.22Å; R697-C701 PolarHBondContact O-SG 3.23Å
698	V	94.3	Very high	93	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-47.6	179.5	172.3	0	0	0	0	110.3	L518 L683 L686 V694 T695 D696 C701 T702	L518-V698 HydrophobicContact CD2-CG1 3.76Å; L683-V698 HydrophobicContact CD2-CG1 4.43Å; L686-V698 HydrophobicContact CD1-CB 4.07Å; L686-V698 HydrophobicContact CD1-CG1 3.8Å; L686-V698 HydrophobicContact CD1-CG2 4.15Å; V694-V698 WeakPolarHBondContact O-CG2 3.19Å; V694-V698 PolarHBondContact O-N 3.21Å; T695-V698 PolarHBondContact O-N 2.78Å; D696-V698 PolarHBondContact O-N 3.42Å; V698-C701 PolarHBondContact O-N 2.93Å; V698-T702 VanDerWaalsContact O-CG2 3.29Å; V698-T702 WeakPolarHBondContact O-CG2 3.43Å; V698-T702 PolarHBondContact O-N 3.08Å; V698-T702 PolarHBondContact O-OG1 3.3Å
699	Y	95.4	Very high	92.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-49.9	-179.2	-177.9	-123.3	0	0	0	112.2	I611 L614 T615 L647 F679 L683 T695 D696 C701 T702 L703 W716	I611-Y699 HydrophobicContact CG2-CE2 4.27Å; L614-Y699 HydrophobicContact CB-CD1 4.21Å; L614-Y699 HydrophobicContact CB-CE1 4.46Å; L614-Y699 HydrophobicContact CD1-CD1 4.17Å; L614-Y699 HydrophobicContact CD1-CG 4.5Å; T615-Y699 HydrophobicContact CG2-CE1 3.62Å; T615-Y699 WeakPolarHBondContact CG2-OH 3.24Å; L647-Y699 HydrophobicContact CD1-CE2 4.2Å; F679-Y699 HydrophobicContact CE1-CD2 4.21Å; F679-Y699 HydrophobicContact CE1-CE2 4.22Å; F679-Y699 HydrophobicContact CZ-CD2 4.22Å; L683-Y699 HydrophobicContact CD1-CD2 3.82Å; L683-Y699 HydrophobicContact CD1-CE2 4.44Å; L683-Y699 HydrophobicContact CD1-CG 4.42Å; T695-Y699 VanDerWaalsContact O-CB 3.28Å; T695-Y699 WeakPolarHBondContact O-CB 3.35Å; T695-Y699 PolarHBondContact O-N 3.07Å; D696-Y699 PolarHBondContact O-N 3.07Å; Y699-C701 PolarHBondContact O-N 3.32Å; Y699-T702 PolarHBondContact O-N 3.44Å; Y699-T702 VanDerWaalsContact O-N 3.09Å; Y699-T702 PolarHBondContact O-OG1 3.32Å; Y699-L703 HydrophobicContact CD1-CD1 3.83Å; Y699-L703 HydrophobicContact CD2-CD1 4.38Å; Y699-L703 HydrophobicContact CD2-CG 4.36Å; Y699-L703 HydrophobicContact CE1-CD1 3.36Å; Y699-L703 HydrophobicContact CE1-CG 4.27Å; Y699-L703 HydrophobicContact CE2-CD1 3.97Å; Y699-L703 HydrophobicContact CE2-CD2 4.27Å; Y699-L703 HydrophobicContact CE2-CG 3.98Å; Y699-L703 HydrophobicContact CG-CD1 4.32Å; Y699-L703 VanDerWaalsContact CZ-CD1 3.44Å; Y699-L703 PolarHBondContact O-N 2.98Å; Y699-W716 HydrophobicContact CD1-CZ2 4.26Å; Y699-W716 HydrophobicContact CE1-CZ2 4.09Å
700	G	93.6	Very high	92.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-42.5	177.5	0	0	0	0	0	113	D696 T702 L703 F704	D696-G700 PolarHBondContact O-N 3.4Å; G700-T702 PolarHBondContact O-N 2.84Å; G700-L703 PolarHBondContact O-N 2.98Å; G700-F704 PolarHBondContact O-N 3.12Å
701	C	93.3	Very high	92.7	Very high	43 Å²	43	53.6 Å²	53.6	29%	0.291	29%	0.285	S	S	.	.	H	α-helix	trans	-63.9	-27	174.7	-73.2	0	0	0	0	113.1	R697 V698 Y699 P705	R697-C701 VanDerWaalsContact O-CB 3.27Å; R697-C701 WeakPolarHBondContact O-CB 3.2Å; R697-C701 PolarHBondContact O-N 3.22Å; R697-C701 PolarHBondContact O-SG 3.23Å; V698-C701 PolarHBondContact O-N 2.93Å; Y699-C701 PolarHBondContact O-N 3.32Å; C701-P705 WeakPolarHBondContact O-CA 3.44Å
702	T	93.5	Very high	92.6	Very high	13 Å²	13	55.9 Å²	55.9	8%	0.08	29%	0.291	C	S	.	.	H	α-helix	trans	-82.1	-34.1	175	59.3	0	0	0	0	113.5	I651 V698 Y699 G700	I651-T702 HydrophobicContact CG2-CG2 3.35Å; V698-T702 VanDerWaalsContact O-CG2 3.29Å; V698-T702 WeakPolarHBondContact O-CG2 3.43Å; V698-T702 PolarHBondContact O-N 3.08Å; V698-T702 PolarHBondContact O-OG1 3.3Å; Y699-T702 PolarHBondContact O-N 3.44Å; Y699-T702 VanDerWaalsContact O-N 3.09Å; Y699-T702 PolarHBondContact O-OG1 3.32Å; G700-T702 PolarHBondContact O-N 2.84Å
703	L	93.4	Very high	92.5	Very high	12 Å²	12	56 Å²	56	6%	0.063	29%	0.29	C	S	.	.	H	α-helix	trans	-69.5	-53.3	175.8	-78.7	174	0	0	0	111.3	L638 L647 Y699 G700 P705 W716	L638-L703 HydrophobicContact CD2-CD2 4.31Å; L647-L703 HydrophobicContact CD1-CD2 3.59Å; L647-L703 HydrophobicContact CD1-CG 4.33Å; L647-L703 HydrophobicContact CD2-CD2 4.14Å; L647-L703 HydrophobicContact CG-CD2 4.5Å; Y699-L703 HydrophobicContact CD1-CD1 3.83Å; Y699-L703 HydrophobicContact CD2-CD1 4.38Å; Y699-L703 HydrophobicContact CD2-CG 4.36Å; Y699-L703 HydrophobicContact CE1-CD1 3.36Å; Y699-L703 HydrophobicContact CE1-CG 4.27Å; Y699-L703 HydrophobicContact CE2-CD1 3.97Å; Y699-L703 HydrophobicContact CE2-CD2 4.27Å; Y699-L703 HydrophobicContact CE2-CG 3.98Å; Y699-L703 HydrophobicContact CG-CD1 4.32Å; Y699-L703 VanDerWaalsContact CZ-CD1 3.44Å; Y699-L703 PolarHBondContact O-N 2.98Å; G700-L703 PolarHBondContact O-N 2.98Å; L703-P705 WeakPolarHBondContact O-CD 3.44Å; L703-W716 HydrophobicContact CD1-CH2 3.79Å; L703-W716 HydrophobicContact CD1-CZ2 3.65Å; L703-W716 HydrophobicContact CD1-CZ3 4.42Å
704	F	92.9	Very high	92.5	Very high	54 Å²	54	59.4 Å²	59.4	24%	0.237	29%	0.291	C	S	.	.	S	Bend	trans	-125.8	79.8	-177.3	-54.4	-68.7	0	0	0	109.1	G700 L712 H713 W716	G700-F704 PolarHBondContact O-N 3.12Å; F704-L712 HydrophobicContact CB-CB 4.45Å; F704-L712 HydrophobicContact CD1-CB 3.91Å; F704-L712 HydrophobicContact CD1-CD1 4.03Å; F704-L712 HydrophobicContact CE1-CB 4.45Å; F704-L712 HydrophobicContact CE1-CD1 4.08Å; F704-L712 HydrophobicContact CG-CB 4.21Å; F704-H713 HydrophobicContact CB-CB 4.47Å; F704-H713 PolarHBondContact O-ND1 2.94Å; F704-W716 HydrophobicContact CD2-CB 4.17Å; F704-W716 HydrophobicContact CD2-CD2 4.14Å; F704-W716 HydrophobicContact CD2-CE3 4.13Å; F704-W716 HydrophobicContact CD2-CG 4.17Å; F704-W716 HydrophobicContact CE2-CD2 4.02Å; F704-W716 AromaticContact CE2-CE3 3.56Å; F704-W716 HydrophobicContact CE2-CE3 3.56Å; F704-W716 HydrophobicContact CE2-CG 4.49Å; F704-W716 HydrophobicContact CE2-CZ3 4.02Å
705	P	90.6	Very high	92.4	Very high	23 Å²	23	62 Å²	62	15%	0.149	30%	0.303	C	S	.	.			trans	-58.4	134.6	173	-21	32.6	0	0	0	109.5	C701 L703 E707 E708 D709	C701-P705 WeakPolarHBondContact O-CA 3.44Å; L703-P705 WeakPolarHBondContact O-CD 3.44Å; P705-E707 PolarHBondContact O-N 2.99Å; P705-E707 VanDerWaalsContact O-N 3.1Å; P705-E708 HydrophobicContact CB-CB 4.37Å; P705-E708 HydrophobicContact CB-CG 4.15Å; P705-E708 HydrophobicContact CG-CG 4.14Å; P705-E708 PolarHBondContact O-N 3.33Å; P705-D709 PolarHBondContact O-N 2.85Å; P705-D709 VanDerWaalsContact O-N 3.16Å
706	P	87.5	Confident	92.2	Very high	68 Å²	68	62.2 Å²	62.2	44%	0.442	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.9	179.7	26.2	-34.2	0	0	0	112.3
707	E	89.5	Confident	92.1	Very high	190 Å²	190	63.2 Å²	63.2	89%	0.888	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.1	174.4	-59.4	177.2	-168.2	0	0	113.4	P705	P705-E707 PolarHBondContact O-N 2.99Å; P705-E707 VanDerWaalsContact O-N 3.1Å
708	E	89.9	Confident	91.9	Very high	126 Å²	126	59.3 Å²	59.3	59%	0.589	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-47.8	178.6	-70	-177.7	-167.4	0	0	111.3	K650 P705	K650-E708 VanDerWaalsContact NZ-CD 3.27Å; K650-E708 IonicContact NZ-OE1 3.6Å; K650-E708 PolarHBondContact NZ-OE1 3.43Å; K650-E708 IonicContact NZ-OE2 2.79Å; K650-E708 PolarHBondContact NZ-OE2 2.75Å; P705-E708 HydrophobicContact CB-CB 4.37Å; P705-E708 HydrophobicContact CB-CG 4.15Å; P705-E708 HydrophobicContact CG-CG 4.14Å; P705-E708 PolarHBondContact O-N 3.33Å
709	D	90.8	Very high	91.7	Very high	63 Å²	63	60.9 Å²	60.9	34%	0.337	30%	0.304	S	S	.	.			trans	-154.1	101.5	178.8	-167.3	-34.4	0	0	0	111.7	P705 N711 L712 H713	P705-D709 PolarHBondContact O-N 2.85Å; P705-D709 VanDerWaalsContact O-N 3.16Å; D709-N711 VanDerWaalsContact C-N 3.31Å; D709-N711 PolarHBondContact O-N 3.27Å; D709-N711 WeakPolarHBondContact OD1-CB 3.18Å; D709-N711 PolarHBondContact OD1-N 3.48Å; D709-L712 HydrophobicContact CB-CB 4.16Å; D709-L712 HydrophobicContact CB-CD1 4.18Å; D709-L712 HydrophobicContact CB-CG 4.3Å; D709-L712 PolarHBondContact OD1-N 3.43Å; D709-L712 VanDerWaalsContact OD2-CD1 3.31Å; D709-L712 WeakPolarHBondContact OD2-CD1 3.46Å; D709-L712 WeakPolarHBondContact OD2-CG 3.41Å; D709-H713 WeakPolarHBondContact O-CB 3.38Å; D709-H713 PolarHBondContact O-N 3.35Å; D709-H713 VanDerWaalsContact O-N 3.11Å
710	E	91.7	Very high	91.5	Very high	148 Å²	148	64.5 Å²	64.5	69%	0.692	33%	0.328	S	S	*	.	H	α-helix	trans	-64.9	-33	179.7	-170.7	178.1	-175.5	0	0	112.8	W714	E710-W714 WeakPolarHBondContact O-CB 3.42Å; E710-W714 PolarHBondContact O-N 3.48Å
711	N	92	Very high	91.3	Very high	123 Å²	123	68 Å²	68	66%	0.658	35%	0.346	S	S	*	.	H	α-helix	trans	-70.9	-46.6	-178.1	-68.4	-42.9	0	0	0	110.9	D709 H713 W714 I715	D709-N711 VanDerWaalsContact C-N 3.31Å; D709-N711 PolarHBondContact O-N 3.27Å; D709-N711 WeakPolarHBondContact OD1-CB 3.18Å; D709-N711 PolarHBondContact OD1-N 3.48Å; N711-H713 VanDerWaalsContact C-N 3.33Å; N711-W714 PolarHBondContact O-N 3.48Å; N711-I715 VanDerWaalsContact O-CG1 3.31Å; N711-I715 WeakPolarHBondContact O-CG1 3.49Å; N711-I715 PolarHBondContact O-N 2.93Å
712	L	91	Very high	91.3	Very high	75 Å²	75	66.1 Å²	66.1	39%	0.393	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-39.5	177.1	-69.5	-179.7	0	0	0	111.6	F704 D709 W714 I715 W716	F704-L712 HydrophobicContact CB-CB 4.45Å; F704-L712 HydrophobicContact CD1-CB 3.91Å; F704-L712 HydrophobicContact CD1-CD1 4.03Å; F704-L712 HydrophobicContact CE1-CB 4.45Å; F704-L712 HydrophobicContact CE1-CD1 4.08Å; F704-L712 HydrophobicContact CG-CB 4.21Å; D709-L712 HydrophobicContact CB-CB 4.16Å; D709-L712 HydrophobicContact CB-CD1 4.18Å; D709-L712 HydrophobicContact CB-CG 4.3Å; D709-L712 PolarHBondContact OD1-N 3.43Å; D709-L712 VanDerWaalsContact OD2-CD1 3.31Å; D709-L712 WeakPolarHBondContact OD2-CD1 3.46Å; D709-L712 WeakPolarHBondContact OD2-CG 3.41Å; L712-W714 VanDerWaalsContact C-N 3.33Å; L712-W714 PolarHBondContact O-N 2.87Å; L712-I715 PolarHBondContact O-N 3.36Å; L712-W716 WeakPolarHBondContact O-CB 3.42Å; L712-W716 PolarHBondContact O-N 3.33Å
713	H	91.6	Very high	91.3	Very high	40 Å²	40	67.5 Å²	67.5	19%	0.185	34%	0.343	C	S	.	.	H	α-helix	trans	-56.4	-48.5	172.9	-176.2	91.5	0	0	0	111.1	F704 D709 N711 W716 F717	F704-H713 HydrophobicContact CB-CB 4.47Å; F704-H713 PolarHBondContact O-ND1 2.94Å; D709-H713 WeakPolarHBondContact O-CB 3.38Å; D709-H713 PolarHBondContact O-N 3.35Å; D709-H713 VanDerWaalsContact O-N 3.11Å; N711-H713 VanDerWaalsContact C-N 3.33Å; H713-W716 PolarHBondContact O-N 2.85Å; H713-F717 AromaticContact CD2-CD2 3.86Å; H713-F717 AromaticContact CE1-CD2 3.66Å; H713-F717 AromaticContact CE1-CE2 3.28Å; H713-F717 WeakPolarHBondContact CE1-CE2 3.5Å; H713-F717 AromaticContact ND1-CD2 3.98Å; H713-F717 AromaticContact ND1-CE2 3.64Å; H713-F717 AromaticContact NE2-CD2 3.58Å; H713-F717 AromaticContact NE2-CE2 3.68Å; H713-F717 VanDerWaalsContact O-CD2 3.25Å; H713-F717 WeakPolarHBondContact O-CD2 3.47Å; H713-F717 PolarHBondContact O-N 3.42Å
714	W	92.8	Very high	91.2	Very high	128 Å²	128	67 Å²	67	49%	0.485	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-45.1	178.5	-173.9	90.7	0	0	0	112.3	L3 E710 N711 L712 W716 F717 N718	L3-W714 HydrophobicContact CD1-CH2 4.26Å; L3-W714 HydrophobicContact CD1-CZ2 3.96Å; E710-W714 WeakPolarHBondContact O-CB 3.42Å; E710-W714 PolarHBondContact O-N 3.48Å; N711-W714 PolarHBondContact O-N 3.48Å; L712-W714 VanDerWaalsContact C-N 3.33Å; L712-W714 PolarHBondContact O-N 2.87Å; W714-W716 VanDerWaalsContact C-N 3.33Å; W714-W716 PolarHBondContact O-N 2.83Å; W714-F717 PolarHBondContact O-N 3.31Å; W714-N718 HydrophobicContact CD2-CB 4.33Å; W714-N718 HydrophobicContact CH2-CB 4.31Å; W714-N718 HydrophobicContact CZ2-CB 4.13Å; W714-N718 WeakPolarHBondContact O-CB 3.23Å; W714-N718 PolarHBondContact O-N 3.24Å; W714-N718 PolarHBondContact O-ND2 2.88Å
715	I	91.7	Very high	91.2	Very high	80 Å²	80	65.4 Å²	65.4	41%	0.41	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-42.8	180	-67.8	165.5	0	0	0	111.2	M622 N711 L712 F717 N718	M622-I715 HydrophobicContact CG-CG2 4.45Å; M622-I715 HydrophobicContact SD-CG2 4.03Å; N711-I715 VanDerWaalsContact O-CG1 3.31Å; N711-I715 WeakPolarHBondContact O-CG1 3.49Å; N711-I715 PolarHBondContact O-N 2.93Å; L712-I715 PolarHBondContact O-N 3.36Å; I715-F717 PolarHBondContact O-N 3.08Å; I715-N718 CarbonylContact O-C 3.56Å; I715-N718 PolarHBondContact O-N 3.01Å
716	W	91.9	Very high	91.3	Very high	5 Å²	5	67 Å²	67	2%	0.019	35%	0.349	C	S	.	.	H	α-helix	trans	-61.3	-43.8	179.3	-174.8	-90.4	0	0	0	112.2	H618 M622 Y699 L703 F704 L712 H713 W714	H618-W716 HydrophobicContact CB-CD2 4.24Å; H618-W716 HydrophobicContact CB-CE3 4.03Å; H618-W716 HydrophobicContact CB-CH2 3.5Å; H618-W716 VanDerWaalsContact CB-CH2 3.5Å; H618-W716 HydrophobicContact CB-CZ2 3.7Å; H618-W716 HydrophobicContact CB-CZ3 3.67Å; H618-W716 AromaticContact CD2-CE2 3.37Å; H618-W716 AromaticContact CD2-CH2 3.97Å; H618-W716 AromaticContact CD2-CZ2 3.22Å; H618-W716 WeakPolarHBondContact CD2-CZ2 3.3Å; H618-W716 AromaticContact CD2-NE1 3.54Å; H618-W716 AromaticContact CE1-CD1 3.87Å; H618-W716 AromaticContact CE1-CE2 3.95Å; H618-W716 AromaticContact CE1-NE1 3.58Å; H618-W716 PolarHBondContact CE1-O 3.43Å; H618-W716 AromaticContact CG-CD2 3.94Å; H618-W716 AromaticContact CG-CE2 3.51Å; H618-W716 AromaticContact CG-CH2 3.86Å; H618-W716 AromaticContact CG-CZ2 3.48Å; H618-W716 VanDerWaalsContact CG-CZ2 3.48Å; H618-W716 AromaticContact CG-NE1 3.92Å; H618-W716 AromaticContact ND1-CE2 3.91Å; H618-W716 AromaticContact ND1-NE1 3.98Å; H618-W716 PolarHBondContact ND1-O 3.48Å; H618-W716 VanDerWaalsContact ND1-O 3.09Å; H618-W716 AromaticContact NE2-CE2 3.67Å; H618-W716 AromaticContact NE2-CZ2 3.95Å; H618-W716 AromaticContact NE2-NE1 3.31Å; H618-W716 PolarHBondContact NE2-NE1 3.06Å; M622-W716 HydrophobicContact CE-CE3 3.68Å; M622-W716 HydrophobicContact CE-CZ3 3.66Å; M622-W716 HydrophobicContact SD-CE3 4.01Å; Y699-W716 HydrophobicContact CD1-CZ2 4.26Å; Y699-W716 HydrophobicContact CE1-CZ2 4.09Å; L703-W716 HydrophobicContact CD1-CH2 3.79Å; L703-W716 HydrophobicContact CD1-CZ2 3.65Å; L703-W716 HydrophobicContact CD1-CZ3 4.42Å; F704-W716 HydrophobicContact CD2-CB 4.17Å; F704-W716 HydrophobicContact CD2-CD2 4.14Å; F704-W716 HydrophobicContact CD2-CE3 4.13Å; F704-W716 HydrophobicContact CD2-CG 4.17Å; F704-W716 HydrophobicContact CE2-CD2 4.02Å; F704-W716 AromaticContact CE2-CE3 3.56Å; F704-W716 HydrophobicContact CE2-CE3 3.56Å; F704-W716 HydrophobicContact CE2-CG 4.49Å; F704-W716 HydrophobicContact CE2-CZ3 4.02Å; L712-W716 WeakPolarHBondContact O-CB 3.42Å; L712-W716 PolarHBondContact O-N 3.33Å; H713-W716 PolarHBondContact O-N 2.85Å; W714-W716 VanDerWaalsContact C-N 3.33Å; W714-W716 PolarHBondContact O-N 2.83Å
717	F	91.8	Very high	91.5	Very high	33 Å²	33	68.4 Å²	68.4	15%	0.145	35%	0.349	C	S	.	.	H	α-helix	trans	-85	-8.3	-177.6	-72.3	-65.4	0	0	0	114.6	C4 H713 W714 I715	C4-F717 PolarHBondContact SG-O 3.16Å; H713-F717 AromaticContact CD2-CD2 3.86Å; H713-F717 AromaticContact CE1-CD2 3.66Å; H713-F717 AromaticContact CE1-CE2 3.28Å; H713-F717 WeakPolarHBondContact CE1-CE2 3.5Å; H713-F717 AromaticContact ND1-CD2 3.98Å; H713-F717 AromaticContact ND1-CE2 3.64Å; H713-F717 AromaticContact NE2-CD2 3.58Å; H713-F717 AromaticContact NE2-CE2 3.68Å; H713-F717 VanDerWaalsContact O-CD2 3.25Å; H713-F717 WeakPolarHBondContact O-CD2 3.47Å; H713-F717 PolarHBondContact O-N 3.42Å; W714-F717 PolarHBondContact O-N 3.31Å; I715-F717 PolarHBondContact O-N 3.08Å
718	N	91.5	Very high	91.6	Very high	16 Å²	16	62.5 Å²	62.5	9%	0.086	32%	0.322	C	S	.	.	S	Bend	trans	-127.8	57.8	-179.6	-57	-97.2	0	0	0	111	L3 C4 W714 I715	L3-N718 WeakPolarHBondContact CA-OD1 3.42Å; L3-N718 HydrophobicContact CB-CB 3.91Å; L3-N718 WeakPolarHBondContact CB-OD1 3.49Å; L3-N718 PolarHBondContact N-OD1 2.77Å; C4-N718 PolarHBondContact N-OD1 3.21Å; W714-N718 HydrophobicContact CD2-CB 4.33Å; W714-N718 HydrophobicContact CH2-CB 4.31Å; W714-N718 HydrophobicContact CZ2-CB 4.13Å; W714-N718 WeakPolarHBondContact O-CB 3.23Å; W714-N718 PolarHBondContact O-N 3.24Å; W714-N718 PolarHBondContact O-ND2 2.88Å; I715-N718 CarbonylContact O-C 3.56Å; I715-N718 PolarHBondContact O-N 3.01Å
719	P	89.2	Confident	91.7	Very high	38 Å²	38	60.8 Å²	60.8	25%	0.247	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66.6	146.2	179.8	30.1	-35.2	0	0	0	111	M622	M622-P719 HydrophobicContact CG-CB 4.45Å
720	P	90.9	Very high	91.6	Very high	77 Å²	77	65.7 Å²	65.7	50%	0.5	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-70.6	158.4	178	31.1	-35.1	0	0	0	111.5	Y621	Y621-P720 VanDerWaalsContact CD1-O 3.29Å; Y621-P720 WeakPolarHBondContact CD1-O 3.35Å; Y621-P720 WeakPolarHBondContact O-CG 3.45Å
721	L	90.4	Very high	91.6	Very high	73 Å²	73	59 Å²	59	38%	0.382	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-63.4	158.6	170.9	-75.7	175.2	0	0	0	111.8	I6 A726	I6-L721 HydrophobicContact CG2-CD1 4.07Å; I6-L721 HydrophobicContact CG2-CD2 3.35Å; I6-L721 HydrophobicContact CG2-CG 3.75Å; L721-A726 HydrophobicContact CB-CB 4.47Å
722	H	92.6	Very high	91.6	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.014	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-59	139.1	172.9	-175.8	-86.9	0	0	0	110.1	Y620 Y621 L724 Q725 A726 V870	Y620-H722 AromaticContact CE1-CD2 3.84Å; Y620-H722 AromaticContact CZ-CD2 3.77Å; Y620-H722 PolarHBondContact OH-CD2 3.31Å; Y620-H722 PolarHBondContact OH-NE2 3.47Å; Y621-H722 HydrophobicContact CE1-CB 4.32Å; H722-L724 VanDerWaalsContact C-N 3.25Å; H722-L724 WeakPolarHBondContact ND1-CB 3.38Å; H722-L724 PolarHBondContact ND1-N 3.19Å; H722-L724 VanDerWaalsContact ND1-N 3.19Å; H722-L724 PolarHBondContact O-N 2.69Å; H722-L724 VanDerWaalsContact O-N 3.07Å; H722-Q725 HydrophobicContact CB-CG 4.4Å; H722-Q725 WeakPolarHBondContact O-CA 3.24Å; H722-Q725 WeakPolarHBondContact O-CB 3.46Å; H722-Q725 PolarHBondContact O-N 2.8Å; H722-A726 PolarHBondContact O-N 3.5Å; H722-V870 HydrophobicContact CB-CG1 4.06Å
723	P	93	Very high	91.6	Very high	43 Å²	43	53.5 Å²	53.5	28%	0.279	28%	0.284	S	S	.	.	H	α-helix	trans	-51	-40.2	-175.6	-30.8	35.3	0	0	0	114.6	Q725 A726 E727 L778	P723-Q725 VanDerWaalsContact C-N 3.34Å; P723-Q725 PolarHBondContact O-N 3.05Å; P723-A726 PolarHBondContact O-N 2.94Å; P723-E727 WeakPolarHBondContact O-CG 3.46Å; P723-E727 PolarHBondContact O-N 3.09Å; P723-L778 HydrophobicContact CB-CD1 4.02Å
724	L	92.9	Very high	91.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-31.3	176.8	-62.8	174.6	0	0	0	113.8	H722 R760 L761 R764 L778	H722-L724 VanDerWaalsContact C-N 3.25Å; H722-L724 WeakPolarHBondContact ND1-CB 3.38Å; H722-L724 PolarHBondContact ND1-N 3.19Å; H722-L724 VanDerWaalsContact ND1-N 3.19Å; H722-L724 PolarHBondContact O-N 2.69Å; H722-L724 VanDerWaalsContact O-N 3.07Å; L724-R760 HydrophobicContact CD1-CB 4.07Å; L724-R760 HydrophobicContact CD2-CB 4.28Å; L724-L761 HydrophobicContact CB-CD2 4.27Å; L724-L761 HydrophobicContact CD1-CD2 4.12Å; L724-R764 HydrophobicContact CD1-CB 4.16Å; L724-L778 HydrophobicContact CD2-CB 4.46Å; L724-L778 HydrophobicContact CD2-CD1 3.64Å; L724-L778 HydrophobicContact CD2-CG 3.8Å; L724-L778 HydrophobicContact CG-CD1 4.29Å
725	Q	93.1	Very high	91.5	Very high	21 Å²	21	53 Å²	53	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-79.4	-34.6	174.3	-68.6	176.6	-46.9	0	0	110.9	H722 P723 E728 P729 H758 L761 V870	H722-Q725 HydrophobicContact CB-CG 4.4Å; H722-Q725 WeakPolarHBondContact O-CA 3.24Å; H722-Q725 WeakPolarHBondContact O-CB 3.46Å; H722-Q725 PolarHBondContact O-N 2.8Å; P723-Q725 VanDerWaalsContact C-N 3.34Å; P723-Q725 PolarHBondContact O-N 3.05Å; Q725-E728 CarbonylContact O-C 3.59Å; Q725-E728 PolarHBondContact O-N 3.29Å; Q725-P729 WeakPolarHBondContact O-CA 2.94Å; Q725-H758 HydrophobicContact CG-CB 4.49Å; Q725-L761 HydrophobicContact CG-CD1 4.22Å; Q725-V870 PolarHBondContact NE2-O 3.19Å
726	A	91.7	Very high	91.5	Very high	58 Å²	58	50 Å²	50	48%	0.479	27%	0.273	S	S	.	.	H	α-helix	trans	-67.8	-34.4	176.3	0	0	0	0	0	112.7	L721 H722 P723	L721-A726 HydrophobicContact CB-CB 4.47Å; H722-A726 PolarHBondContact O-N 3.5Å; P723-A726 PolarHBondContact O-N 2.94Å
727	E	92.2	Very high	91.3	Very high	96 Å²	96	56 Å²	56	45%	0.449	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-39.7	173.4	-77.2	-179.5	176.1	0	0	112.3	P723 R760 L778	P723-E727 WeakPolarHBondContact O-CG 3.46Å; P723-E727 PolarHBondContact O-N 3.09Å; E727-R760 IonicContact OE2-CZ 3.48Å; E727-R760 IonicContact OE2-NH1 3.49Å; E727-R760 PolarHBondContact OE2-NH1 2.85Å; E727-R760 IonicContact OE2-NH2 2.88Å; E727-R760 PolarHBondContact OE2-NH2 3.48Å; E727-L778 WeakPolarHBondContact OE1-CD1 3.42Å
728	E	91.6	Very high	91.1	Very high	66 Å²	66	57.8 Å²	57.8	31%	0.308	33%	0.334	S	S	.	.			trans	-132.2	77.1	-177.3	-66.3	-63.3	166.6	0	0	111.8	Q725 N730 G731 D732 H734 H758	Q725-E728 CarbonylContact O-C 3.59Å; Q725-E728 PolarHBondContact O-N 3.29Å; E728-N730 PolarHBondContact O-N 2.98Å; E728-N730 VanDerWaalsContact O-N 3.11Å; E728-G731 PolarHBondContact O-N 3.13Å; E728-D732 HydrophobicContact CB-CB 4.26Å; E728-D732 HydrophobicContact CG-CB 4.36Å; E728-H734 IonicContact OE1-CE1 3.79Å; E728-H734 IonicContact OE1-NE2 3.87Å; E728-H734 IonicContact OE2-CE1 3.2Å; E728-H734 PolarHBondContact OE2-CE1 3.29Å; E728-H758 PolarHBondContact O-CD2 3Å; E728-H758 PolarHBondContact O-NE2 3.12Å
729	P	90.7	Very high	90.9	Very high	91 Å²	91	59.6 Å²	59.6	59%	0.591	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.3	-172.4	-27.5	35.9	0	0	0	114.7	Q725 G731	Q725-P729 WeakPolarHBondContact O-CA 2.94Å; P729-G731 VanDerWaalsContact C-N 3.32Å; P729-G731 PolarHBondContact O-N 3.07Å
730	N	90.1	Very high	90.8	Very high	165 Å²	165	65 Å²	65	88%	0.882	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	2.7	-178.4	-61.4	-37.9	0	0	0	113.8	E728	E728-N730 PolarHBondContact O-N 2.98Å; E728-N730 VanDerWaalsContact O-N 3.11Å
731	G	90.9	Very high	90.7	Very high	9 Å²	9	64.4 Å²	64.4	9%	0.093	36%	0.357	C	S	.	.			trans	99.5	156.1	-174	0	0	0	0	0	113.3	E728 P729 T757	E728-G731 PolarHBondContact O-N 3.13Å; P729-G731 VanDerWaalsContact C-N 3.32Å; P729-G731 PolarHBondContact O-N 3.07Å; G731-T757 WeakPolarHBondContact CA-O 2.95Å
732	D	92.9	Very high	90.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.338	C	S	.	.	S	Bend	trans	-110.5	15.7	-169.5	64	9.9	0	0	0	113.3	E728 H734 L735 T757 H758 I759 R760	E728-D732 HydrophobicContact CB-CB 4.26Å; E728-D732 HydrophobicContact CG-CB 4.36Å; D732-H734 PolarHBondContact O-N 3.26Å; D732-H734 VanDerWaalsContact O-N 3.15Å; D732-L735 HydrophobicContact CB-CD1 4.08Å; D732-L735 WeakPolarHBondContact O-CB 3.35Å; D732-L735 PolarHBondContact O-N 3.39Å; D732-T757 PolarHBondContact N-O 3.08Å; D732-H758 WeakPolarHBondContact OD1-CA 3.33Å; D732-H758 WeakPolarHBondContact OD2-CA 3.34Å; D732-I759 VanDerWaalsContact CG-N 3.34Å; D732-I759 WeakPolarHBondContact OD1-CG2 3.18Å; D732-I759 PolarHBondContact OD1-N 3.15Å; D732-I759 PolarHBondContact OD2-N 3.28Å; D732-R760 HydrophobicContact CB-CG 4.4Å; D732-R760 WeakPolarHBondContact OD2-CB 3.49Å; D732-R760 WeakPolarHBondContact OD2-CD 3.32Å; D732-R760 WeakPolarHBondContact OD2-CG 3.26Å; D732-R760 PolarHBondContact OD2-N 3.49Å
733	R	90.6	Very high	90.6	Very high	81 Å²	81	65.3 Å²	65.3	31%	0.306	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-59.3	-27.5	-177	-72.7	-64.9	-169.7	167.5	-3	114.2	L735 V736 E749 F756	R733-L735 PolarHBondContact O-N 3.02Å; R733-V736 WeakPolarHBondContact O-CB 3.27Å; R733-V736 WeakPolarHBondContact O-CG2 3.49Å; R733-V736 PolarHBondContact O-N 3Å; R733-E749 IonicContact CZ-OE1 2.73Å; R733-E749 IonicContact CZ-OE2 3.89Å; R733-E749 IonicContact NH1-OE1 2.7Å; R733-E749 IonicContact NH1-OE2 2.83Å; R733-E749 PolarHBondContact NH1-OE2 3.44Å; R733-E749 IonicContact NH2-OE1 3.16Å; R733-E749 PolarHBondContact NH2-OE1 3.09Å; R733-E749 IonicContact NH2-OE2 2.71Å; R733-E749 PolarHBondContact NH2-OE2 3.36Å; R733-F756 PolarHBondContact NE-O 2.88Å; R733-F756 PolarHBondContact NH2-O 3.04Å
734	H	92	Very high	90.5	Very high	111 Å²	111	67.4 Å²	67.4	51%	0.514	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-63.7	-18.7	176.7	64.6	-89.8	0	0	0	113.1	E728 D732	E728-H734 IonicContact OE1-CE1 3.79Å; E728-H734 IonicContact OE1-NE2 3.87Å; E728-H734 IonicContact OE2-CE1 3.2Å; E728-H734 PolarHBondContact OE2-CE1 3.29Å; D732-H734 PolarHBondContact O-N 3.26Å; D732-H734 VanDerWaalsContact O-N 3.15Å
735	L	90.2	Very high	90.5	Very high	47 Å²	47	67.5 Å²	67.5	25%	0.246	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-81	-16.3	178.2	-58.8	176.7	0	0	0	113.5	D732 R733 D737 G738 I739 L742	D732-L735 HydrophobicContact CB-CD1 4.08Å; D732-L735 WeakPolarHBondContact O-CB 3.35Å; D732-L735 PolarHBondContact O-N 3.39Å; R733-L735 PolarHBondContact O-N 3.02Å; L735-D737 VanDerWaalsContact C-N 3.32Å; L735-D737 PolarHBondContact O-N 2.78Å; L735-G738 PolarHBondContact O-N 3.29Å; L735-I739 HydrophobicContact CB-CD1 4.36Å; L735-I739 PolarHBondContact O-N 3.47Å; L735-L742 HydrophobicContact CB-CD1 3.82Å
736	V	90.5	Very high	90.4	Very high	16 Å²	16	68.3 Å²	68.3	10%	0.097	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-60.7	-42.4	-174.8	176.3	0	0	0	0	111.1	R733 G738 I739 L742 K743 T746 I759	R733-V736 WeakPolarHBondContact O-CB 3.27Å; R733-V736 WeakPolarHBondContact O-CG2 3.49Å; R733-V736 PolarHBondContact O-N 3Å; V736-G738 PolarHBondContact O-N 3Å; V736-I739 PolarHBondContact O-N 3.33Å; V736-L742 HydrophobicContact CG2-CB 4.32Å; V736-K743 HydrophobicContact CG1-CG 4.09Å; V736-K743 WeakPolarHBondContact O-CE 3.43Å; V736-K743 WeakPolarHBondContact O-CG 3.4Å; V736-T746 HydrophobicContact CG1-CG2 3.75Å; V736-T746 HydrophobicContact CG2-CG2 4.39Å; V736-I759 HydrophobicContact CG2-CD1 4.05Å; V736-I759 HydrophobicContact CG2-CG2 3.97Å
737	D	88	Confident	90.4	Very high	132 Å²	132	70.8 Å²	70.8	71%	0.706	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-65.4	-25.8	-177.2	-71	-29.2	0	0	0	113.4	L735 K743	L735-D737 VanDerWaalsContact C-N 3.32Å; L735-D737 PolarHBondContact O-N 2.78Å; D737-K743 VanDerWaalsContact C-CE 3.44Å; D737-K743 WeakPolarHBondContact O-CE 3.47Å; D737-K743 PolarHBondContact O-NZ 3.14Å
738	G	87.6	Confident	90.4	Very high	71 Å²	71	66.3 Å²	66.3	73%	0.732	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-91.4	-19.5	-178.4	0	0	0	0	0	115.2	L735 V736	L735-G738 PolarHBondContact O-N 3.29Å; V736-G738 PolarHBondContact O-N 3Å
739	I	88.6	Confident	90.5	Very high	53 Å²	53	63.3 Å²	63.3	27%	0.272	34%	0.34	S	S	.	.			trans	-125	112.5	-167.9	-54.2	-179.5	0	0	0	110.8	L735 V736 I741 L742 K743 L776	L735-I739 HydrophobicContact CB-CD1 4.36Å; L735-I739 PolarHBondContact O-N 3.47Å; V736-I739 PolarHBondContact O-N 3.33Å; I739-I741 VanDerWaalsContact C-N 3.29Å; I739-I741 HydrophobicContact CG2-CB 4.29Å; I739-I741 PolarHBondContact O-N 3.22Å; I739-L742 HydrophobicContact CB-CB 4.3Å; I739-L742 HydrophobicContact CB-CD1 4.06Å; I739-L742 HydrophobicContact CB-CG 3.98Å; I739-L742 HydrophobicContact CD1-CD1 3.98Å; I739-L742 HydrophobicContact CG1-CD1 4.46Å; I739-L742 HydrophobicContact CG2-CD1 4.44Å; I739-L742 HydrophobicContact CG2-CG 3.96Å; I739-L742 PolarHBondContact O-N 2.84Å; I739-K743 PolarHBondContact O-N 3.16Å; I739-K743 VanDerWaalsContact O-N 3.16Å; I739-L776 HydrophobicContact CD1-CD1 3.65Å; I739-L776 HydrophobicContact CG2-CD2 4.08Å
740	E	87.4	Confident	90.6	Very high	151 Å²	151	64.2 Å²	64.2	71%	0.706	34%	0.34	S	S	*	.	H	α-helix	trans	-56.3	-39.4	-177.3	-172	176.6	-177.6	0	0	113.4	L742 K743 N744	E740-L742 VanDerWaalsContact C-N 3.31Å; E740-L742 PolarHBondContact O-N 3.42Å; E740-K743 WeakPolarHBondContact O-CB 3.47Å; E740-K743 PolarHBondContact O-N 3.1Å; E740-N744 PolarHBondContact O-N 3.09Å
741	I	87.1	Confident	90.6	Very high	65 Å²	65	60 Å²	60	33%	0.333	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176.8	-63.4	170.4	0	0	0	110.9	I739 N744 L745 N839	I739-I741 VanDerWaalsContact C-N 3.29Å; I739-I741 HydrophobicContact CG2-CB 4.29Å; I739-I741 PolarHBondContact O-N 3.22Å; I741-N744 PolarHBondContact O-N 2.8Å; I741-L745 WeakPolarHBondContact O-CG 3.25Å; I741-L745 PolarHBondContact O-N 2.88Å; I741-N839 WeakPolarHBondContact CG2-OD1 3.46Å
742	L	90.8	Very high	90.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-69.6	-34.1	-180	-61.1	-174.7	0	0	0	111.7	L735 V736 I739 E740 N744 L745 T746 I759 A763 L776	L735-L742 HydrophobicContact CB-CD1 3.82Å; V736-L742 HydrophobicContact CG2-CB 4.32Å; I739-L742 HydrophobicContact CB-CB 4.3Å; I739-L742 HydrophobicContact CB-CD1 4.06Å; I739-L742 HydrophobicContact CB-CG 3.98Å; I739-L742 HydrophobicContact CD1-CD1 3.98Å; I739-L742 HydrophobicContact CG1-CD1 4.46Å; I739-L742 HydrophobicContact CG2-CD1 4.44Å; I739-L742 HydrophobicContact CG2-CG 3.96Å; I739-L742 PolarHBondContact O-N 2.84Å; E740-L742 VanDerWaalsContact C-N 3.31Å; E740-L742 PolarHBondContact O-N 3.42Å; L742-N744 VanDerWaalsContact C-N 3.33Å; L742-L745 HydrophobicContact CD2-CD1 4.16Å; L742-L745 PolarHBondContact O-N 3.11Å; L742-T746 PolarHBondContact O-N 3.23Å; L742-T746 VanDerWaalsContact O-N 3.16Å; L742-I759 HydrophobicContact CD1-CG2 4.08Å; L742-I759 HydrophobicContact CD2-CG2 4.13Å; L742-I759 HydrophobicContact CG-CG2 4.5Å; L742-A763 HydrophobicContact CD2-CB 3.88Å; L742-L776 HydrophobicContact CD1-CD1 4.22Å; L742-L776 HydrophobicContact CD2-CD1 4.44Å; L742-L776 HydrophobicContact CD2-CD2 4.28Å; L742-L776 HydrophobicContact CG-CD1 4.49Å
743	K	90.8	Very high	90.4	Very high	96 Å²	96	61.6 Å²	61.6	42%	0.417	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-39.5	172.5	-63.9	-175.8	179.2	175.3	0	112.4	V736 D737 I739 E740 L745 T746	V736-K743 HydrophobicContact CG1-CG 4.09Å; V736-K743 WeakPolarHBondContact O-CE 3.43Å; V736-K743 WeakPolarHBondContact O-CG 3.4Å; D737-K743 VanDerWaalsContact C-CE 3.44Å; D737-K743 WeakPolarHBondContact O-CE 3.47Å; D737-K743 PolarHBondContact O-NZ 3.14Å; I739-K743 PolarHBondContact O-N 3.16Å; I739-K743 VanDerWaalsContact O-N 3.16Å; E740-K743 WeakPolarHBondContact O-CB 3.47Å; E740-K743 PolarHBondContact O-N 3.1Å; K743-L745 VanDerWaalsContact C-N 3.27Å; K743-L745 PolarHBondContact O-N 2.93Å; K743-T746 PolarHBondContact O-N 2.89Å; K743-T746 PolarHBondContact O-OG1 2.82Å
744	N	90.2	Very high	90.4	Very high	86 Å²	86	58.3 Å²	58.3	46%	0.46	32%	0.315	S	S	.	.	H	α-helix	trans	-66.5	-33.3	175.8	-68.6	-14.2	0	0	0	111.4	E740 I741 L742 T746 E747 F837	E740-N744 PolarHBondContact O-N 3.09Å; I741-N744 PolarHBondContact O-N 2.8Å; L742-N744 VanDerWaalsContact C-N 3.33Å; N744-T746 VanDerWaalsContact C-N 3.35Å; N744-E747 WeakPolarHBondContact O-CB 3.28Å; N744-E747 PolarHBondContact O-N 3.33Å; N744-F837 WeakPolarHBondContact O-CD1 3.37Å; N744-F837 WeakPolarHBondContact O-CE1 3.41Å
745	L	92.9	Very high	90.5	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-70.7	-26.9	176.5	-65.1	174.5	0	0	0	113.3	I741 L742 K743 E747 F748 E749 I759 L762 A763 F766 F837	I741-L745 WeakPolarHBondContact O-CG 3.25Å; I741-L745 PolarHBondContact O-N 2.88Å; L742-L745 HydrophobicContact CD2-CD1 4.16Å; L742-L745 PolarHBondContact O-N 3.11Å; K743-L745 VanDerWaalsContact C-N 3.27Å; K743-L745 PolarHBondContact O-N 2.93Å; L745-E747 PolarHBondContact O-N 3.11Å; L745-F748 WeakPolarHBondContact O-CB 3.35Å; L745-F748 PolarHBondContact O-N 3.5Å; L745-F748 VanDerWaalsContact O-N 3.12Å; L745-E749 PolarHBondContact O-N 2.73Å; L745-I759 HydrophobicContact CB-CD1 4.07Å; L745-I759 HydrophobicContact CB-CG1 4.28Å; L745-L762 HydrophobicContact CB-CD2 4.13Å; L745-L762 HydrophobicContact CD1-CG 4.5Å; L745-L762 HydrophobicContact CD2-CD2 4.41Å; L745-L762 HydrophobicContact CD2-CG 4.37Å; L745-A763 HydrophobicContact CD1-CB 3.53Å; L745-F766 HydrophobicContact CD2-CD2 3.57Å; L745-F766 HydrophobicContact CD2-CE2 4.03Å; L745-F837 HydrophobicContact CD2-CB 4.14Å
746	T	92.2	Very high	90.7	Very high	38 Å²	38	57.8 Å²	57.8	23%	0.233	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-30.6	173.8	55.8	0	0	0	0	112.4	V736 L742 K743 N744 F748 E749 D750 I759	V736-T746 HydrophobicContact CG1-CG2 3.75Å; V736-T746 HydrophobicContact CG2-CG2 4.39Å; L742-T746 PolarHBondContact O-N 3.23Å; L742-T746 VanDerWaalsContact O-N 3.16Å; K743-T746 PolarHBondContact O-N 2.89Å; K743-T746 PolarHBondContact O-OG1 2.82Å; N744-T746 VanDerWaalsContact C-N 3.35Å; T746-F748 VanDerWaalsContact C-N 3.31Å; T746-F748 PolarHBondContact O-N 3.39Å; T746-E749 PolarHBondContact O-N 2.91Å; T746-D750 PolarHBondContact O-N 3.3Å; T746-D750 VanDerWaalsContact O-N 3.08Å; T746-I759 HydrophobicContact CG2-CD1 3.68Å
747	E	91.9	Very high	90.9	Very high	109 Å²	109	59.9 Å²	59.9	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-64.1	-38.1	172.6	-171.7	-170.1	163	0	0	111.3	N744 L745 D750 Q751 F837	N744-E747 WeakPolarHBondContact O-CB 3.28Å; N744-E747 PolarHBondContact O-N 3.33Å; L745-E747 PolarHBondContact O-N 3.11Å; E747-D750 PolarHBondContact O-N 2.99Å; E747-Q751 VanDerWaalsContact O-CG 3.31Å; E747-Q751 WeakPolarHBondContact O-CG 3.19Å; E747-Q751 PolarHBondContact O-N 3.16Å; E747-Q751 PolarHBondContact OE1-NE2 3.33Å; E747-F837 HydrophobicContact CB-CE1 4.16Å; E747-F837 HydrophobicContact CG-CE1 4.47Å
748	F	92.5	Very high	91.2	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-40.9	175	178	-100.9	0	0	0	112.4	L745 T746 D750 Q751 I752 L762 F766 I832 I834 F837 F864	L745-F748 WeakPolarHBondContact O-CB 3.35Å; L745-F748 PolarHBondContact O-N 3.5Å; L745-F748 VanDerWaalsContact O-N 3.12Å; T746-F748 VanDerWaalsContact C-N 3.31Å; T746-F748 PolarHBondContact O-N 3.39Å; F748-D750 VanDerWaalsContact C-N 3.32Å; F748-D750 PolarHBondContact O-N 2.95Å; F748-Q751 PolarHBondContact O-N 3.37Å; F748-I752 HydrophobicContact CD1-CD1 4.22Å; F748-I752 HydrophobicContact CD2-CD1 4.45Å; F748-I752 HydrophobicContact CD2-CG1 4.47Å; F748-I752 HydrophobicContact CE1-CD1 3.36Å; F748-I752 HydrophobicContact CE1-CG1 4.1Å; F748-I752 HydrophobicContact CE2-CD1 3.66Å; F748-I752 HydrophobicContact CE2-CG1 4.07Å; F748-I752 HydrophobicContact CZ-CD1 3.05Å; F748-I752 HydrophobicContact CZ-CG1 3.89Å; F748-I752 PolarHBondContact O-N 3.47Å; F748-L762 HydrophobicContact CD1-CD1 4.16Å; F748-L762 HydrophobicContact CD1-CD2 3.91Å; F748-L762 HydrophobicContact CE1-CD1 3.9Å; F748-L762 HydrophobicContact CE1-CD2 4.44Å; F748-F766 AromaticContact CD1-CE2 3.92Å; F748-F766 HydrophobicContact CD1-CE2 3.92Å; F748-F766 HydrophobicContact CD1-CZ 4.17Å; F748-F766 HydrophobicContact CD2-CE2 4.47Å; F748-F766 AromaticContact CE1-CE2 3.79Å; F748-F766 HydrophobicContact CE1-CE2 3.79Å; F748-F766 AromaticContact CE1-CZ 3.54Å; F748-F766 HydrophobicContact CE1-CZ 3.54Å; F748-F766 HydrophobicContact CE2-CE2 4.35Å; F748-F766 HydrophobicContact CE2-CZ 4.11Å; F748-F766 HydrophobicContact CG-CE2 4.23Å; F748-F766 AromaticContact CZ-CE2 3.98Å; F748-F766 HydrophobicContact CZ-CE2 3.98Å; F748-F766 AromaticContact CZ-CZ 3.48Å; F748-F766 HydrophobicContact CZ-CZ 3.48Å; F748-F766 VanDerWaalsContact CZ-CZ 3.48Å; F748-I832 HydrophobicContact CE2-CG2 3.79Å; F748-I832 HydrophobicContact CZ-CG2 4.21Å; F748-I834 HydrophobicContact CE2-CG1 3.83Å; F748-I834 HydrophobicContact CZ-CG1 3.98Å; F748-F837 HydrophobicContact CB-CD1 3.81Å; F748-F837 HydrophobicContact CB-CD2 3.92Å; F748-F837 HydrophobicContact CB-CE1 3.79Å; F748-F837 HydrophobicContact CB-CE2 3.89Å; F748-F837 HydrophobicContact CB-CG 3.87Å; F748-F837 HydrophobicContact CB-CZ 3.81Å; F748-F837 AromaticContact CD2-CD2 3.4Å; F748-F837 HydrophobicContact CD2-CD2 3.4Å; F748-F837 AromaticContact CD2-CE2 3.51Å; F748-F837 HydrophobicContact CD2-CE2 3.51Å; F748-F837 HydrophobicContact CD2-CG 4.09Å; F748-F837 HydrophobicContact CD2-CZ 4.26Å; F748-F837 HydrophobicContact CE2-CD2 4.22Å; F748-F837 HydrophobicContact CE2-CE2 4.49Å; F748-F837 HydrophobicContact CG-CD2 4Å; F748-F837 HydrophobicContact CG-CE2 4.17Å; F748-F837 HydrophobicContact CG-CG 4.26Å; F748-F864 HydrophobicContact CE1-CD2 4.01Å; F748-F864 AromaticContact CE1-CE2 3.65Å; F748-F864 HydrophobicContact CE1-CE2 3.65Å; F748-F864 HydrophobicContact CE1-CZ 4.27Å; F748-F864 HydrophobicContact CZ-CD2 4.32Å; F748-F864 HydrophobicContact CZ-CE2 4.16Å
749	E	93.8	Very high	91.5	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.019	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-41.7	175.4	-68.1	-175.3	128.4	0	0	112.3	R733 L745 T746 Q751 I752 G753 I754 F756 L762	R733-E749 IonicContact CZ-OE1 2.73Å; R733-E749 IonicContact CZ-OE2 3.89Å; R733-E749 IonicContact NH1-OE1 2.7Å; R733-E749 IonicContact NH1-OE2 2.83Å; R733-E749 PolarHBondContact NH1-OE2 3.44Å; R733-E749 IonicContact NH2-OE1 3.16Å; R733-E749 PolarHBondContact NH2-OE1 3.09Å; R733-E749 IonicContact NH2-OE2 2.71Å; R733-E749 PolarHBondContact NH2-OE2 3.36Å; L745-E749 PolarHBondContact O-N 2.73Å; T746-E749 PolarHBondContact O-N 2.91Å; E749-Q751 VanDerWaalsContact C-N 3.34Å; E749-I752 PolarHBondContact O-N 3.01Å; E749-G753 WeakPolarHBondContact O-CA 3.36Å; E749-G753 PolarHBondContact O-N 3.42Å; E749-I754 WeakPolarHBondContact CB-O 3.09Å; E749-I754 PolarHBondContact O-N 3.42Å; E749-F756 HydrophobicContact CG-CD2 4.34Å; E749-F756 VanDerWaalsContact OE1-CB 3.26Å; E749-F756 WeakPolarHBondContact OE1-CB 3.18Å; E749-F756 WeakPolarHBondContact OE1-CD2 3.31Å; E749-F756 PolarHBondContact OE1-N 3.37Å; E749-L762 HydrophobicContact CG-CD2 3.98Å
750	D	92.2	Very high	91.8	Very high	109 Å²	109	48.9 Å²	48.9	58%	0.583	25%	0.246	S	C	*	.	H	α-helix	trans	-66.6	-36.2	175.6	-71.5	-24.2	0	0	0	111.5	T746 E747 F748	T746-D750 PolarHBondContact O-N 3.3Å; T746-D750 VanDerWaalsContact O-N 3.08Å; E747-D750 PolarHBondContact O-N 2.99Å; F748-D750 VanDerWaalsContact C-N 3.32Å; F748-D750 PolarHBondContact O-N 2.95Å
751	Q	89.9	Confident	92.2	Very high	76 Å²	76	41.7 Å²	41.7	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-67.3	-38	175.5	-74.3	177.7	23.1	0	0	112.8	E747 F748 E749	E747-Q751 VanDerWaalsContact O-CG 3.31Å; E747-Q751 WeakPolarHBondContact O-CG 3.19Å; E747-Q751 PolarHBondContact O-N 3.16Å; E747-Q751 PolarHBondContact OE1-NE2 3.33Å; F748-Q751 PolarHBondContact O-N 3.37Å; E749-Q751 VanDerWaalsContact C-N 3.34Å
752	I	89.6	Confident	92.6	Very high	18 Å²	18	38.6 Å²	38.6	9%	0.092	20%	0.197	C	C	.	.	H	α-helix	trans	-82.7	-26.2	178	-71.2	-159.4	0	0	0	112.4	F748 E749 I754 I832 F864 I1013	F748-I752 HydrophobicContact CD1-CD1 4.22Å; F748-I752 HydrophobicContact CD2-CD1 4.45Å; F748-I752 HydrophobicContact CD2-CG1 4.47Å; F748-I752 HydrophobicContact CE1-CD1 3.36Å; F748-I752 HydrophobicContact CE1-CG1 4.1Å; F748-I752 HydrophobicContact CE2-CD1 3.66Å; F748-I752 HydrophobicContact CE2-CG1 4.07Å; F748-I752 HydrophobicContact CZ-CD1 3.05Å; F748-I752 HydrophobicContact CZ-CG1 3.89Å; F748-I752 PolarHBondContact O-N 3.47Å; E749-I752 PolarHBondContact O-N 3.01Å; I752-I754 HydrophobicContact CG2-CB 4.03Å; I752-I754 HydrophobicContact CG2-CD1 3.73Å; I752-I754 HydrophobicContact CG2-CG1 3.81Å; I752-I832 HydrophobicContact CD1-CG2 3.88Å; I752-I832 HydrophobicContact CG1-CG2 4.21Å; I752-F864 HydrophobicContact CD1-CE1 3.99Å; I752-F864 HydrophobicContact CD1-CE2 4.13Å; I752-F864 HydrophobicContact CD1-CZ 3.55Å; I752-F864 HydrophobicContact CG2-CZ 4.43Å; I752-I1013 WeakPolarHBondContact O-CG2 3.37Å
753	G	89.7	Confident	92.7	Very high	26 Å²	26	38.6 Å²	38.6	27%	0.268	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	22.9	-174	0	0	0	0	0	113.8	E749	E749-G753 WeakPolarHBondContact O-CA 3.36Å; E749-G753 PolarHBondContact O-N 3.42Å
754	I	91	Very high	92.9	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.056	18%	0.18	C	C	.	.			trans	-126.7	117.5	177.8	-59.9	170.8	0	0	0	109.1	E749 I752 F756 L868 K872 Y876 I1015	E749-I754 WeakPolarHBondContact CB-O 3.09Å; E749-I754 PolarHBondContact O-N 3.42Å; I752-I754 HydrophobicContact CG2-CB 4.03Å; I752-I754 HydrophobicContact CG2-CD1 3.73Å; I752-I754 HydrophobicContact CG2-CG1 3.81Å; I754-F756 HydrophobicContact CG2-CE2 4.44Å; I754-L868 HydrophobicContact CD1-CD1 4.11Å; I754-L868 HydrophobicContact CD1-CD2 4.32Å; I754-L868 HydrophobicContact CG2-CD1 3.91Å; I754-K872 HydrophobicContact CG2-CG 4.4Å; I754-Y876 HydrophobicContact CD1-CD1 4.14Å; I754-Y876 HydrophobicContact CG1-CD1 4.28Å; I754-Y876 HydrophobicContact CG2-CD1 4.26Å; I754-Y876 HydrophobicContact CG2-CE1 4.44Å; I754-I1015 HydrophobicContact CG1-CD1 4.4Å
755	K	93.7	Very high	93.1	Very high	141 Å²	141	30.8 Å²	30.8	61%	0.613	16%	0.158	S	C	*	.			trans	-93.8	113.7	175.8	-67.1	-170.5	176.9	-173.2	0	110.8	K872	K755-K872 WeakPolarHBondContact O-CE 3.43Å; K755-K872 PolarHBondContact O-NZ 2.92Å
756	F	94.2	Very high	93.2	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.026	16%	0.158	C	C	.	.			trans	-66.6	145.6	175.3	-77.4	-109.7	0	0	0	111.8	R733 E749 I754 L762 F864 A867 L868 D871	R733-F756 PolarHBondContact NE-O 2.88Å; R733-F756 PolarHBondContact NH2-O 3.04Å; E749-F756 HydrophobicContact CG-CD2 4.34Å; E749-F756 VanDerWaalsContact OE1-CB 3.26Å; E749-F756 WeakPolarHBondContact OE1-CB 3.18Å; E749-F756 WeakPolarHBondContact OE1-CD2 3.31Å; E749-F756 PolarHBondContact OE1-N 3.37Å; I754-F756 HydrophobicContact CG2-CE2 4.44Å; F756-L762 HydrophobicContact CD1-CB 4.34Å; F756-L762 HydrophobicContact CD2-CB 4.47Å; F756-L762 HydrophobicContact CD2-CD2 4.27Å; F756-L762 HydrophobicContact CE1-CB 4.36Å; F756-L762 HydrophobicContact CE2-CB 4.49Å; F756-L762 HydrophobicContact CE2-CD1 4.32Å; F756-L762 HydrophobicContact CE2-CD2 4.33Å; F756-L762 HydrophobicContact CG-CB 4.41Å; F756-L762 HydrophobicContact CZ-CB 4.44Å; F756-L762 HydrophobicContact CZ-CD1 4.32Å; F756-F864 HydrophobicContact CE2-CE2 4.07Å; F756-F864 AromaticContact CZ-CE2 3.95Å; F756-F864 HydrophobicContact CZ-CE2 3.95Å; F756-A867 HydrophobicContact CE1-CB 4.23Å; F756-L868 HydrophobicContact CZ-CB 4.28Å; F756-L868 HydrophobicContact CZ-CD1 4.11Å; F756-D871 VanDerWaalsContact CA-OD2 3.27Å; F756-D871 WeakPolarHBondContact CA-OD2 3.37Å; F756-D871 HydrophobicContact CD1-CB 3.57Å; F756-D871 HydrophobicContact CE1-CB 3.88Å
757	T	93.9	Very high	93.1	Very high	61 Å²	61	28.9 Å²	28.9	37%	0.374	15%	0.147	S	C	.	.	S	Bend	trans	-75.6	-40.5	168.6	-52.8	0	0	0	0	109.6	G731 D732 D871 K872	G731-T757 WeakPolarHBondContact CA-O 2.95Å; D732-T757 PolarHBondContact N-O 3.08Å; T757-D871 WeakPolarHBondContact CB-OD1 3.26Å; T757-D871 VanDerWaalsContact N-CG 3.34Å; T757-D871 PolarHBondContact N-OD1 2.63Å; T757-D871 PolarHBondContact N-OD2 3.18Å; T757-K872 PolarHBondContact OG1-NZ 3.11Å
758	H	95.1	Very high	93	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.056	13%	0.128	C	C	.	.			trans	-116.1	89.1	177.2	-60.4	85.7	0	0	0	111	Q725 E728 D732 R760 L761 D871	Q725-H758 HydrophobicContact CG-CB 4.49Å; E728-H758 PolarHBondContact O-CD2 3Å; E728-H758 PolarHBondContact O-NE2 3.12Å; D732-H758 WeakPolarHBondContact OD1-CA 3.33Å; D732-H758 WeakPolarHBondContact OD2-CA 3.34Å; H758-R760 PolarHBondContact O-N 2.95Å; H758-L761 HydrophobicContact CB-CD1 3.82Å; H758-L761 HydrophobicContact CB-CG 3.95Å; H758-L761 WeakPolarHBondContact O-CB 3.34Å; H758-L761 PolarHBondContact O-N 3.41Å; H758-D871 PolarHBondContact N-OD1 3.03Å; H758-D871 IonicContact ND1-OD1 2.67Å
759	I	94.9	Very high	92.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.1	-22.1	-179.4	-163.9	167.8	0	0	0	112.9	D732 V736 L742 L745 T746 L761 L762 A763	D732-I759 VanDerWaalsContact CG-N 3.34Å; D732-I759 WeakPolarHBondContact OD1-CG2 3.18Å; D732-I759 PolarHBondContact OD1-N 3.15Å; D732-I759 PolarHBondContact OD2-N 3.28Å; V736-I759 HydrophobicContact CG2-CD1 4.05Å; V736-I759 HydrophobicContact CG2-CG2 3.97Å; L742-I759 HydrophobicContact CD1-CG2 4.08Å; L742-I759 HydrophobicContact CD2-CG2 4.13Å; L742-I759 HydrophobicContact CG-CG2 4.5Å; L745-I759 HydrophobicContact CB-CD1 4.07Å; L745-I759 HydrophobicContact CB-CG1 4.28Å; T746-I759 HydrophobicContact CG2-CD1 3.68Å; I759-L761 PolarHBondContact O-N 3.13Å; I759-L762 WeakPolarHBondContact O-CB 3.37Å; I759-L762 PolarHBondContact O-N 3.04Å; I759-A763 PolarHBondContact O-N 3.4Å
760	R	94.8	Very high	92.1	Very high	13 Å²	13	33.7 Å²	33.7	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-26	173.5	-67.5	169.1	70	-163.1	1.4	112.3	L724 E727 D732 H758 A763 R764 Y775 L776	L724-R760 HydrophobicContact CD1-CB 4.07Å; L724-R760 HydrophobicContact CD2-CB 4.28Å; E727-R760 IonicContact OE2-CZ 3.48Å; E727-R760 IonicContact OE2-NH1 3.49Å; E727-R760 PolarHBondContact OE2-NH1 2.85Å; E727-R760 IonicContact OE2-NH2 2.88Å; E727-R760 PolarHBondContact OE2-NH2 3.48Å; D732-R760 HydrophobicContact CB-CG 4.4Å; D732-R760 WeakPolarHBondContact OD2-CB 3.49Å; D732-R760 WeakPolarHBondContact OD2-CD 3.32Å; D732-R760 WeakPolarHBondContact OD2-CG 3.26Å; D732-R760 PolarHBondContact OD2-N 3.49Å; H758-R760 PolarHBondContact O-N 2.95Å; R760-A763 PolarHBondContact O-N 2.85Å; R760-R764 WeakPolarHBondContact O-CB 3.49Å; R760-R764 PolarHBondContact O-N 3.46Å; R760-Y775 PolarHBondContact NH2-O 2.93Å; R760-L776 HydrophobicContact CG-CD1 4.11Å; R760-L776 PolarHBondContact NE-O 3.31Å; R760-L776 PolarHBondContact NH2-O 3.06Å; R760-L776 VanDerWaalsContact NH2-O 3.12Å
761	L	95.3	Very high	91.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-45	172.4	-66.5	172.8	0	0	0	110.7	L724 Q725 H758 I759 R764 A765 M784 A867 V870 D871	L724-L761 HydrophobicContact CB-CD2 4.27Å; L724-L761 HydrophobicContact CD1-CD2 4.12Å; Q725-L761 HydrophobicContact CG-CD1 4.22Å; H758-L761 HydrophobicContact CB-CD1 3.82Å; H758-L761 HydrophobicContact CB-CG 3.95Å; H758-L761 WeakPolarHBondContact O-CB 3.34Å; H758-L761 PolarHBondContact O-N 3.41Å; I759-L761 PolarHBondContact O-N 3.13Å; L761-R764 WeakPolarHBondContact O-CB 3.49Å; L761-R764 PolarHBondContact O-N 3.47Å; L761-A765 PolarHBondContact O-N 2.81Å; L761-M784 HydrophobicContact CB-CE 4.15Å; L761-M784 HydrophobicContact CD2-CE 3.7Å; L761-A867 HydrophobicContact CB-CB 4.25Å; L761-V870 HydrophobicContact CD1-CB 4.3Å; L761-V870 HydrophobicContact CD1-CG1 3.79Å; L761-V870 HydrophobicContact CD2-CG1 4.01Å; L761-D871 HydrophobicContact CD1-CB 3.89Å
762	L	95.1	Very high	91.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-43.4	174.3	179.5	63.5	0	0	0	111.2	L745 F748 E749 F756 I759 R764 A765 F766 F864	L745-L762 HydrophobicContact CB-CD2 4.13Å; L745-L762 HydrophobicContact CD1-CG 4.5Å; L745-L762 HydrophobicContact CD2-CD2 4.41Å; L745-L762 HydrophobicContact CD2-CG 4.37Å; F748-L762 HydrophobicContact CD1-CD1 4.16Å; F748-L762 HydrophobicContact CD1-CD2 3.91Å; F748-L762 HydrophobicContact CE1-CD1 3.9Å; F748-L762 HydrophobicContact CE1-CD2 4.44Å; E749-L762 HydrophobicContact CG-CD2 3.98Å; F756-L762 HydrophobicContact CD1-CB 4.34Å; F756-L762 HydrophobicContact CD2-CB 4.47Å; F756-L762 HydrophobicContact CD2-CD2 4.27Å; F756-L762 HydrophobicContact CE1-CB 4.36Å; F756-L762 HydrophobicContact CE2-CB 4.49Å; F756-L762 HydrophobicContact CE2-CD1 4.32Å; F756-L762 HydrophobicContact CE2-CD2 4.33Å; F756-L762 HydrophobicContact CG-CB 4.41Å; F756-L762 HydrophobicContact CZ-CB 4.44Å; F756-L762 HydrophobicContact CZ-CD1 4.32Å; I759-L762 WeakPolarHBondContact O-CB 3.37Å; I759-L762 PolarHBondContact O-N 3.04Å; L762-R764 VanDerWaalsContact C-N 3.27Å; L762-R764 PolarHBondContact O-N 3.18Å; L762-A765 WeakPolarHBondContact O-CB 3.35Å; L762-A765 PolarHBondContact O-N 2.94Å; L762-F766 HydrophobicContact CD1-CD2 4.25Å; L762-F766 HydrophobicContact CD1-CE1 4.31Å; L762-F766 HydrophobicContact CD1-CE2 3.65Å; L762-F766 HydrophobicContact CD1-CZ 3.68Å; L762-F766 HydrophobicContact CG-CD2 4.48Å; L762-F766 HydrophobicContact CG-CE2 4.19Å; L762-F766 PolarHBondContact O-N 3.19Å; L762-F766 VanDerWaalsContact O-N 3.15Å; L762-F864 HydrophobicContact CD1-CD2 3.7Å; L762-F864 HydrophobicContact CD1-CE2 3.95Å
763	A	93.9	Very high	90.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-39.7	174.9	0	0	0	0	0	112	L742 L745 I759 R760 F766 T767 T777	L742-A763 HydrophobicContact CD2-CB 3.88Å; L745-A763 HydrophobicContact CD1-CB 3.53Å; I759-A763 PolarHBondContact O-N 3.4Å; R760-A763 PolarHBondContact O-N 2.85Å; A763-F766 PolarHBondContact O-N 2.7Å; A763-T767 PolarHBondContact O-N 3.48Å; A763-T767 PolarHBondContact O-OG1 3.37Å; A763-T777 HydrophobicContact CB-CG2 3.83Å
764	R	94.2	Very high	90.7	Very high	17 Å²	17	36.1 Å²	36.1	6%	0.064	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-43.4	175.2	-173.6	179.7	179.8	113.4	0.5	111.6	L724 R760 L761 L762 F766 T767 T777 L778 H780 N781 M784	L724-R764 HydrophobicContact CD1-CB 4.16Å; R760-R764 WeakPolarHBondContact O-CB 3.49Å; R760-R764 PolarHBondContact O-N 3.46Å; L761-R764 WeakPolarHBondContact O-CB 3.49Å; L761-R764 PolarHBondContact O-N 3.47Å; L762-R764 VanDerWaalsContact C-N 3.27Å; L762-R764 PolarHBondContact O-N 3.18Å; R764-F766 PolarHBondContact O-N 3.15Å; R764-T767 PolarHBondContact O-N 3.41Å; R764-T777 HydrophobicContact CB-CG2 4.29Å; R764-T777 WeakPolarHBondContact CD-O 3.34Å; R764-T777 PolarHBondContact NH1-O 3.45Å; R764-L778 PolarHBondContact NH1-O 3.22Å; R764-H780 PolarHBondContact NE-O 3.27Å; R764-H780 PolarHBondContact NH2-O 2.85Å; R764-N781 WeakPolarHBondContact O-CB 3.31Å; R764-M784 HydrophobicContact CB-CE 4.01Å; R764-M784 HydrophobicContact CB-SD 3.92Å; R764-M784 HydrophobicContact CG-CE 4.12Å; R764-M784 HydrophobicContact CG-SD 3.8Å
765	A	94.8	Very high	90.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-32.4	177.6	0	0	0	0	0	113.2	L761 L762 N781 M784 S863 A867	L761-A765 PolarHBondContact O-N 2.81Å; L762-A765 WeakPolarHBondContact O-CB 3.35Å; L762-A765 PolarHBondContact O-N 2.94Å; A765-N781 WeakPolarHBondContact O-CB 3.34Å; A765-N781 PolarHBondContact O-ND2 3.36Å; A765-M784 HydrophobicContact CB-SD 4.02Å; A765-S863 WeakPolarHBondContact CB-O 3.41Å; A765-S863 WeakPolarHBondContact O-CB 3.35Å; A765-A867 HydrophobicContact CB-CB 3.81Å
766	F	93.9	Very high	90.3	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	5.4	177.3	-63.4	-15.2	0	0	0	114.4	L745 F748 L762 A763 R764 I834 F837 L860 F864	L745-F766 HydrophobicContact CD2-CD2 3.57Å; L745-F766 HydrophobicContact CD2-CE2 4.03Å; F748-F766 AromaticContact CD1-CE2 3.92Å; F748-F766 HydrophobicContact CD1-CE2 3.92Å; F748-F766 HydrophobicContact CD1-CZ 4.17Å; F748-F766 HydrophobicContact CD2-CE2 4.47Å; F748-F766 AromaticContact CE1-CE2 3.79Å; F748-F766 HydrophobicContact CE1-CE2 3.79Å; F748-F766 AromaticContact CE1-CZ 3.54Å; F748-F766 HydrophobicContact CE1-CZ 3.54Å; F748-F766 HydrophobicContact CE2-CE2 4.35Å; F748-F766 HydrophobicContact CE2-CZ 4.11Å; F748-F766 HydrophobicContact CG-CE2 4.23Å; F748-F766 AromaticContact CZ-CE2 3.98Å; F748-F766 HydrophobicContact CZ-CE2 3.98Å; F748-F766 AromaticContact CZ-CZ 3.48Å; F748-F766 HydrophobicContact CZ-CZ 3.48Å; F748-F766 VanDerWaalsContact CZ-CZ 3.48Å; L762-F766 HydrophobicContact CD1-CD2 4.25Å; L762-F766 HydrophobicContact CD1-CE1 4.31Å; L762-F766 HydrophobicContact CD1-CE2 3.65Å; L762-F766 HydrophobicContact CD1-CZ 3.68Å; L762-F766 HydrophobicContact CG-CD2 4.48Å; L762-F766 HydrophobicContact CG-CE2 4.19Å; L762-F766 PolarHBondContact O-N 3.19Å; L762-F766 VanDerWaalsContact O-N 3.15Å; A763-F766 PolarHBondContact O-N 2.7Å; R764-F766 PolarHBondContact O-N 3.15Å; F766-I834 HydrophobicContact CD1-CG2 4.01Å; F766-I834 HydrophobicContact CE1-CG2 3.53Å; F766-I834 HydrophobicContact CE2-CG2 4.49Å; F766-I834 HydrophobicContact CZ-CG1 4.33Å; F766-I834 HydrophobicContact CZ-CG2 3.83Å; F766-F837 HydrophobicContact CD2-CB 3.96Å; F766-F837 HydrophobicContact CE2-CB 4.01Å; F766-L860 HydrophobicContact CD1-CD2 4.12Å; F766-F864 HydrophobicContact CE1-CB 4.09Å; F766-F864 HydrophobicContact CE1-CD2 4.41Å; F766-F864 HydrophobicContact CZ-CD2 4.22Å
767	T	91.2	Very high	90.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.			trans	-93.9	107.7	174.9	-63.9	0	0	0	0	110.6	A763 R764 V771 H780 N781 N839	A763-T767 PolarHBondContact O-N 3.48Å; A763-T767 PolarHBondContact O-OG1 3.37Å; R764-T767 PolarHBondContact O-N 3.41Å; T767-V771 HydrophobicContact CG2-CB 3.88Å; T767-V771 HydrophobicContact CG2-CG1 4.1Å; T767-V771 HydrophobicContact CG2-CG2 4.24Å; T767-H780 WeakPolarHBondContact O-CA 3.43Å; T767-H780 WeakPolarHBondContact O-CB 3.46Å; T767-N781 WeakPolarHBondContact O-CB 3.47Å; T767-N781 PolarHBondContact O-N 2.91Å; T767-N781 PolarHBondContact O-OD1 3.49Å; T767-N839 PolarHBondContact OG1-ND2 3.06Å
768	R	89.2	Confident	89.9	Confident	31 Å²	31	38.3 Å²	38.3	12%	0.117	19%	0.185	C	C	.	.			trans	-74.7	157.3	180	-64.1	178	65.8	-135.8	3.7	111.9	S770 V771 V838 Y850 D856	R768-S770 PolarHBondContact O-N 3.12Å; R768-V771 PolarHBondContact O-N 3.3Å; R768-V838 HydrophobicContact CG-CG1 4.02Å; R768-Y850 VanDerWaalsContact NH1-CE1 3.32Å; R768-D856 IonicContact CZ-OD1 3.89Å; R768-D856 IonicContact NE-OD1 2.85Å; R768-D856 VanDerWaalsContact NH2-CG 3.35Å; R768-D856 IonicContact NH2-OD1 3.23Å; R768-D856 PolarHBondContact NH2-OD1 2.93Å; R768-D856 IonicContact NH2-OD2 3.42Å
769	K	85.7	Confident	89.6	Confident	121 Å²	121	38.1 Å²	38.1	53%	0.526	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-50.4	-28.6	175.9	-170.2	173.6	-167.9	146.6	0	114.3	V771	K769-V771 VanDerWaalsContact C-N 3.25Å; K769-V771 PolarHBondContact O-N 3.45Å
770	S	82.4	Confident	89.4	Confident	65 Å²	65	39.9 Å²	39.9	46%	0.455	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-66.8	-18.5	179.3	53.8	0	0	0	0	115.1	R768 G772	R768-S770 PolarHBondContact O-N 3.12Å; S770-G772 VanDerWaalsContact C-N 3.35Å
771	V	81.7	Confident	89.4	Confident	53 Å²	53	39.7 Å²	39.7	32%	0.321	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-81.4	-15.8	-174.9	-178.6	0	0	0	0	112.2	T767 R768 K769	T767-V771 HydrophobicContact CG2-CB 3.88Å; T767-V771 HydrophobicContact CG2-CG1 4.1Å; T767-V771 HydrophobicContact CG2-CG2 4.24Å; R768-V771 PolarHBondContact O-N 3.3Å; K769-V771 VanDerWaalsContact C-N 3.25Å; K769-V771 PolarHBondContact O-N 3.45Å
772	G	79	Confident	89.3	Confident	36 Å²	36	41 Å²	41	37%	0.371	20%	0.201	S	C	.	.			trans	70.3	-167	-174.9	0	0	0	0	0	112.8	S770	S770-G772 VanDerWaalsContact C-N 3.35Å
773	Y	84.8	Confident	89.3	Confident	155 Å²	155	41.7 Å²	41.7	61%	0.608	20%	0.203	S	C	*	.			trans	-76.3	133.6	177.2	-172.3	-91.2	0	0	0	110.6	Y775 L778	Y773-Y775 HydrophobicContact CE1-CD1 4.26Å; Y773-Y775 HydrophobicContact CE1-CE1 4.27Å; Y773-L778 WeakPolarHBondContact OH-CD2 3.27Å
774	N	85.7	Confident	89.3	Confident	36 Å²	36	41.7 Å²	41.7	19%	0.193	20%	0.203	C	C	.	.			trans	-136.5	151.8	171.7	75.2	55.8	0	0	0	109.6	L776 T777 L778	N774-L776 VanDerWaalsContact C-N 3.28Å; N774-L776 PolarHBondContact O-N 3.08Å; N774-L776 WeakPolarHBondContact OD1-CB 3.32Å; N774-L776 PolarHBondContact OD1-N 3.45Å; N774-T777 VanDerWaalsContact CG-OG1 3.28Å; N774-T777 PolarHBondContact ND2-OG1 2.82Å; N774-T777 PolarHBondContact OD1-N 3.47Å; N774-T777 PolarHBondContact OD1-OG1 2.9Å; N774-L778 VanDerWaalsContact O-CA 3.29Å; N774-L778 WeakPolarHBondContact O-CA 3.37Å; N774-L778 PolarHBondContact O-N 3.42Å
775	Y	87	Confident	89.4	Confident	200 Å²	200	41.8 Å²	41.8	78%	0.784	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-21	-178.1	-65.8	-76	0	0	0	113.4	R760 Y773	R760-Y775 PolarHBondContact NH2-O 2.93Å; Y773-Y775 HydrophobicContact CE1-CD1 4.26Å; Y773-Y775 HydrophobicContact CE1-CE1 4.27Å
776	L	89.3	Confident	89.4	Confident	34 Å²	34	42.2 Å²	42.2	18%	0.178	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-45	179.9	-177.8	61.1	0	0	0	111.8	I739 L742 R760 N774	I739-L776 HydrophobicContact CD1-CD1 3.65Å; I739-L776 HydrophobicContact CG2-CD2 4.08Å; L742-L776 HydrophobicContact CD1-CD1 4.22Å; L742-L776 HydrophobicContact CD2-CD1 4.44Å; L742-L776 HydrophobicContact CD2-CD2 4.28Å; L742-L776 HydrophobicContact CG-CD1 4.49Å; R760-L776 HydrophobicContact CG-CD1 4.11Å; R760-L776 PolarHBondContact NE-O 3.31Å; R760-L776 PolarHBondContact NH2-O 3.06Å; R760-L776 VanDerWaalsContact NH2-O 3.12Å; N774-L776 VanDerWaalsContact C-N 3.28Å; N774-L776 PolarHBondContact O-N 3.08Å; N774-L776 WeakPolarHBondContact OD1-CB 3.32Å; N774-L776 PolarHBondContact OD1-N 3.45Å
777	T	89.7	Confident	89.5	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-7.8	-172.7	65.1	0	0	0	0	113.4	A763 R764 N774 G779	A763-T777 HydrophobicContact CB-CG2 3.83Å; R764-T777 HydrophobicContact CB-CG2 4.29Å; R764-T777 WeakPolarHBondContact CD-O 3.34Å; R764-T777 PolarHBondContact NH1-O 3.45Å; N774-T777 VanDerWaalsContact CG-OG1 3.28Å; N774-T777 PolarHBondContact ND2-OG1 2.82Å; N774-T777 PolarHBondContact OD1-N 3.47Å; N774-T777 PolarHBondContact OD1-OG1 2.9Å; T777-G779 VanDerWaalsContact C-N 3.28Å; T777-G779 PolarHBondContact O-N 3.36Å; T777-G779 PolarHBondContact OG1-O 3.06Å
778	L	89.7	Confident	89.8	Confident	30 Å²	30	42.2 Å²	42.2	16%	0.157	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	37.3	-178.5	-53.8	175.5	0	0	0	113.3	P723 L724 E727 R764 Y773 N774	P723-L778 HydrophobicContact CB-CD1 4.02Å; L724-L778 HydrophobicContact CD2-CB 4.46Å; L724-L778 HydrophobicContact CD2-CD1 3.64Å; L724-L778 HydrophobicContact CD2-CG 3.8Å; L724-L778 HydrophobicContact CG-CD1 4.29Å; E727-L778 WeakPolarHBondContact OE1-CD1 3.42Å; R764-L778 PolarHBondContact NH1-O 3.22Å; Y773-L778 WeakPolarHBondContact OH-CD2 3.27Å; N774-L778 VanDerWaalsContact O-CA 3.29Å; N774-L778 WeakPolarHBondContact O-CA 3.37Å; N774-L778 PolarHBondContact O-N 3.42Å
779	G	88.8	Confident	90.1	Very high	8 Å²	8	42.9 Å²	42.9	8%	0.082	21%	0.212	C	C	.	.	S	Bend	trans	118.6	-158.2	-176.7	0	0	0	0	0	113.2	T777	T777-G779 VanDerWaalsContact C-N 3.28Å; T777-G779 PolarHBondContact O-N 3.36Å; T777-G779 PolarHBondContact OG1-O 3.06Å
780	H	91.4	Very high	90.6	Very high	37 Å²	37	37.1 Å²	37.1	17%	0.171	19%	0.187	C	C	.	.			trans	-114.5	177.7	-170.5	58.4	57.7	0	0	0	113.4	R764 T767 Q782	R764-H780 PolarHBondContact NE-O 3.27Å; R764-H780 PolarHBondContact NH2-O 2.85Å; T767-H780 WeakPolarHBondContact O-CA 3.43Å; T767-H780 WeakPolarHBondContact O-CB 3.46Å; H780-Q782 VanDerWaalsContact CE1-CG 3.47Å; H780-Q782 WeakPolarHBondContact CE1-CG 3.38Å; H780-Q782 PolarHBondContact CE1-OE1 2.78Å; H780-Q782 WeakPolarHBondContact ND1-CG 3.41Å; H780-Q782 PolarHBondContact ND1-N 3.43Å
781	N	93.5	Very high	91.3	Very high	8 Å²	8	34 Å²	34	4%	0.043	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.6	-170.6	71.5	-23.9	0	0	0	116.7	R764 A765 T767 R783 M784 E785 S863	R764-N781 WeakPolarHBondContact O-CB 3.31Å; A765-N781 WeakPolarHBondContact O-CB 3.34Å; A765-N781 PolarHBondContact O-ND2 3.36Å; T767-N781 WeakPolarHBondContact O-CB 3.47Å; T767-N781 PolarHBondContact O-N 2.91Å; T767-N781 PolarHBondContact O-OD1 3.49Å; N781-R783 PolarHBondContact O-N 3.24Å; N781-M784 CarbonylContact O-C 3.53Å; N781-M784 WeakPolarHBondContact O-CA 3.35Å; N781-M784 WeakPolarHBondContact O-CB 3.32Å; N781-M784 PolarHBondContact O-N 3.45Å; N781-E785 PolarHBondContact O-N 3.15Å; N781-S863 WeakPolarHBondContact CB-OG 3.13Å; N781-S863 PolarHBondContact ND2-OG 3.38Å; N781-S863 VanDerWaalsContact ND2-OG 3.13Å; N781-S863 PolarHBondContact O-OG 2.91Å
782	Q	93.7	Very high	92	Very high	29 Å²	29	31.6 Å²	31.6	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-48.4	-36.6	-176	-65.3	-163	-80.4	0	0	115.9	E628 H780 E785 F786	E628-Q782 HydrophobicContact CB-CB 4.25Å; E628-Q782 PolarHBondContact OE2-NE2 3.09Å; H780-Q782 VanDerWaalsContact CE1-CG 3.47Å; H780-Q782 WeakPolarHBondContact CE1-CG 3.38Å; H780-Q782 PolarHBondContact CE1-OE1 2.78Å; H780-Q782 WeakPolarHBondContact ND1-CG 3.41Å; H780-Q782 PolarHBondContact ND1-N 3.43Å; Q782-E785 WeakPolarHBondContact O-CB 3.35Å; Q782-F786 PolarHBondContact O-N 3.28Å
783	R	94.9	Very high	92.7	Very high	13 Å²	13	31 Å²	31	5%	0.049	14%	0.139	C	C	.	.	H	α-helix	trans	-71.2	-33.4	176.1	-62.9	178.1	72.6	-123.8	-17.2	112.1	Y620 F623 S624 L626 L631 N781 L787	Y620-R783 HydrophobicContact CD2-CB 4.23Å; Y620-R783 HydrophobicContact CE2-CB 3.83Å; Y620-R783 WeakPolarHBondContact CE2-O 3.36Å; Y620-R783 PolarHBondContact O-NH2 3.41Å; F623-R783 PolarHBondContact O-NH2 2.89Å; S624-R783 VanDerWaalsContact O-CZ 3.26Å; S624-R783 PolarHBondContact O-NH1 3.48Å; L626-R783 VanDerWaalsContact O-CD 3.28Å; L626-R783 WeakPolarHBondContact O-CD 3.48Å; L626-R783 PolarHBondContact O-NE 3.4Å; L631-R783 HydrophobicContact CD1-CG 4.25Å; N781-R783 PolarHBondContact O-N 3.24Å; R783-L787 PolarHBondContact O-N 2.66Å
784	M	95.3	Very high	93.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-74.7	-34.3	175.3	-71.4	172.8	158.5	0	0	111.8	L761 R764 A765 N781 L787 G788 A867	L761-M784 HydrophobicContact CB-CE 4.15Å; L761-M784 HydrophobicContact CD2-CE 3.7Å; R764-M784 HydrophobicContact CB-CE 4.01Å; R764-M784 HydrophobicContact CB-SD 3.92Å; R764-M784 HydrophobicContact CG-CE 4.12Å; R764-M784 HydrophobicContact CG-SD 3.8Å; A765-M784 HydrophobicContact CB-SD 4.02Å; N781-M784 CarbonylContact O-C 3.53Å; N781-M784 WeakPolarHBondContact O-CA 3.35Å; N781-M784 WeakPolarHBondContact O-CB 3.32Å; N781-M784 PolarHBondContact O-N 3.45Å; M784-L787 PolarHBondContact O-N 2.97Å; M784-G788 PolarHBondContact O-N 3.08Å; M784-A867 HydrophobicContact CE-CB 4.17Å; M784-A867 HydrophobicContact SD-CB 4.18Å
785	E	95.6	Very high	93.8	Very high	20 Å²	20	22.4 Å²	22.4	9%	0.093	10%	0.103	C	C	.	.	H	α-helix	trans	-54.9	-54.4	169.2	176.9	-172.2	159.5	0	0	110	N781 Q782 L787 G788 D789 D859 E862 S863	N781-E785 PolarHBondContact O-N 3.15Å; Q782-E785 WeakPolarHBondContact O-CB 3.35Å; E785-L787 VanDerWaalsContact C-N 3.33Å; E785-L787 PolarHBondContact O-N 3.2Å; E785-G788 PolarHBondContact O-N 3.46Å; E785-G788 VanDerWaalsContact O-N 3.14Å; E785-D789 PolarHBondContact O-N 2.96Å; E785-D859 HydrophobicContact CG-CB 4.12Å; E785-E862 HydrophobicContact CG-CB 4.3Å; E785-S863 PolarHBondContact N-OG 2.92Å
786	F	95.5	Very high	94.1	Very high	9 Å²	9	12.9 Å²	12.9	4%	0.039	7%	0.065	C	C	.	.	H	α-helix	trans	-54.6	-43.8	177.1	176.4	-105.2	0	0	0	113.7	T616 E628 L631 A632 R635 Q782	T616-F786 HydrophobicContact CG2-CD1 3.65Å; T616-F786 HydrophobicContact CG2-CE1 3.41Å; T616-F786 VanDerWaalsContact CG2-CE1 3.41Å; T616-F786 HydrophobicContact CG2-CZ 4.08Å; E628-F786 HydrophobicContact CG-CB 4.1Å; E628-F786 HydrophobicContact CG-CD2 4.48Å; L631-F786 HydrophobicContact CB-CD1 4.29Å; L631-F786 HydrophobicContact CB-CE1 3.77Å; L631-F786 HydrophobicContact CB-CZ 4Å; L631-F786 HydrophobicContact CD1-CD1 4.31Å; L631-F786 HydrophobicContact CD1-CE1 4.42Å; A632-F786 HydrophobicContact CB-CE2 4.01Å; R635-F786 HydrophobicContact CB-CZ 4.13Å; R635-F786 VanDerWaalsContact CZ-CE2 3.44Å; Q782-F786 PolarHBondContact O-N 3.28Å
787	L	96.1	Very high	94.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-66.7	-47.8	175.9	-179.9	60.4	0	0	0	111.6	T616 I617 Y620 R783 M784 E785 D789 T790 V791 F869 V870	T616-L787 HydrophobicContact CG2-CD1 4.08Å; I617-L787 HydrophobicContact CG1-CD1 3.82Å; Y620-L787 HydrophobicContact CD1-CD2 3.93Å; Y620-L787 HydrophobicContact CD2-CB 4.22Å; Y620-L787 HydrophobicContact CD2-CD2 4.27Å; Y620-L787 HydrophobicContact CE1-CD2 3.84Å; Y620-L787 HydrophobicContact CE2-CB 4.4Å; Y620-L787 HydrophobicContact CE2-CD2 4.18Å; Y620-L787 HydrophobicContact CG-CD2 4.14Å; R783-L787 PolarHBondContact O-N 2.66Å; M784-L787 PolarHBondContact O-N 2.97Å; E785-L787 VanDerWaalsContact C-N 3.33Å; E785-L787 PolarHBondContact O-N 3.2Å; L787-D789 PolarHBondContact O-N 2.87Å; L787-T790 PolarHBondContact O-N 2.76Å; L787-T790 PolarHBondContact O-OG1 2.7Å; L787-V791 HydrophobicContact CG-CG2 4.5Å; L787-V791 WeakPolarHBondContact O-CG2 3.43Å; L787-V791 PolarHBondContact O-N 3.29Å; L787-V791 VanDerWaalsContact O-N 3.09Å; L787-F869 HydrophobicContact CD1-CD1 4.26Å; L787-F869 HydrophobicContact CD1-CE1 4.34Å; L787-F869 HydrophobicContact CD2-CD1 4.03Å; L787-F869 HydrophobicContact CG-CD1 4.29Å; L787-V870 HydrophobicContact CD2-CG2 3.56Å
788	G	96.4	Very high	94.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.1	-36.4	-177.7	0	0	0	0	0	114.4	M784 E785 T790 V791 L792 E862	M784-G788 PolarHBondContact O-N 3.08Å; E785-G788 PolarHBondContact O-N 3.46Å; E785-G788 VanDerWaalsContact O-N 3.14Å; G788-T790 PolarHBondContact O-N 3.39Å; G788-V791 PolarHBondContact O-N 3.02Å; G788-L792 WeakPolarHBondContact O-CB 3.35Å; G788-L792 PolarHBondContact O-N 3.08Å; G788-E862 VanDerWaalsContact CA-O 3.32Å; G788-E862 WeakPolarHBondContact CA-O 3.34Å
789	D	96	Very high	94.9	Very high	45 Å²	45	13.4 Å²	13.4	24%	0.241	6%	0.064	C	C	.	.	H	α-helix	trans	-56.3	-49.8	173.1	177.6	42.5	0	0	0	110.8	E785 L787 V791 L792 Q793 E862	E785-D789 PolarHBondContact O-N 2.96Å; L787-D789 PolarHBondContact O-N 2.87Å; D789-V791 PolarHBondContact O-N 3.29Å; D789-L792 WeakPolarHBondContact O-CB 3.31Å; D789-L792 PolarHBondContact O-N 3.03Å; D789-Q793 WeakPolarHBondContact O-CB 3.35Å; D789-Q793 PolarHBondContact O-N 2.76Å; D789-E862 HydrophobicContact CB-CG 4.4Å
790	T	95.8	Very high	95.1	Very high	1 Å²	1	13 Å²	13	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-67.9	-36.3	179.3	63.1	0	0	0	0	113.9	T616 L787 G788 L792 Q793 L794	T616-T790 HydrophobicContact CG2-CG2 3.89Å; T616-T790 WeakPolarHBondContact CG2-OG1 3.35Å; T616-T790 WeakPolarHBondContact OG1-CG2 3.48Å; L787-T790 PolarHBondContact O-N 2.76Å; L787-T790 PolarHBondContact O-OG1 2.7Å; G788-T790 PolarHBondContact O-N 3.39Å; T790-L792 VanDerWaalsContact C-N 3.34Å; T790-Q793 PolarHBondContact O-N 2.9Å; T790-L794 WeakPolarHBondContact O-CB 3.48Å; T790-L794 PolarHBondContact O-N 3Å
791	V	96.5	Very high	95.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.4	-46.2	172.6	174	0	0	0	0	110	F613 L787 G788 D789 L794 I795 L865 F869 L874 C877	F613-V791 HydrophobicContact CD2-CG2 4.34Å; F613-V791 HydrophobicContact CE2-CG2 3.93Å; L787-V791 HydrophobicContact CG-CG2 4.5Å; L787-V791 WeakPolarHBondContact O-CG2 3.43Å; L787-V791 PolarHBondContact O-N 3.29Å; L787-V791 VanDerWaalsContact O-N 3.09Å; G788-V791 PolarHBondContact O-N 3.02Å; D789-V791 PolarHBondContact O-N 3.29Å; V791-L794 PolarHBondContact O-N 3.41Å; V791-I795 HydrophobicContact CG1-CD1 3.74Å; V791-I795 VanDerWaalsContact O-CG1 3.3Å; V791-I795 WeakPolarHBondContact O-CG1 3.48Å; V791-I795 PolarHBondContact O-N 2.83Å; V791-I795 VanDerWaalsContact O-N 3.09Å; V791-L865 HydrophobicContact CB-CD2 4.23Å; V791-L865 HydrophobicContact CB-CG 4.46Å; V791-L865 HydrophobicContact CG1-CD2 3.93Å; V791-L865 HydrophobicContact CG1-CG 3.99Å; V791-F869 HydrophobicContact CG2-CB 4.03Å; V791-F869 HydrophobicContact CG2-CD1 4.18Å; V791-F869 HydrophobicContact CG2-CD2 4.05Å; V791-F869 HydrophobicContact CG2-CG 3.8Å; V791-L874 HydrophobicContact CG1-CD1 4.16Å; V791-C877 HydrophobicContact CG1-CB 3.84Å
792	L	96.4	Very high	95.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-64	-43	178.5	-178.3	56.9	0	0	0	111.4	G788 D789 T790 T796 V820 L865 F885	G788-L792 WeakPolarHBondContact O-CB 3.35Å; G788-L792 PolarHBondContact O-N 3.08Å; D789-L792 WeakPolarHBondContact O-CB 3.31Å; D789-L792 PolarHBondContact O-N 3.03Å; T790-L792 VanDerWaalsContact C-N 3.34Å; L792-T796 HydrophobicContact CD1-CG2 3.89Å; L792-T796 HydrophobicContact CG-CG2 4.47Å; L792-T796 WeakPolarHBondContact O-CB 3.45Å; L792-T796 VanDerWaalsContact O-CG2 3.26Å; L792-T796 WeakPolarHBondContact O-CG2 3.26Å; L792-T796 PolarHBondContact O-N 2.95Å; L792-T796 PolarHBondContact O-OG1 3.01Å; L792-V820 HydrophobicContact CD1-CG2 4.42Å; L792-V820 HydrophobicContact CD2-CB 4.47Å; L792-V820 HydrophobicContact CD2-CG1 3.68Å; L792-V820 HydrophobicContact CD2-CG2 4.18Å; L792-V820 HydrophobicContact CG-CG1 4.08Å; L792-V820 HydrophobicContact CG-CG2 3.89Å; L792-L865 HydrophobicContact CB-CD2 3.68Å; L792-L865 HydrophobicContact CD1-CD2 4.32Å; L792-L865 HydrophobicContact CG-CD2 4.5Å; L792-F885 HydrophobicContact CD1-CD1 4.07Å; L792-F885 HydrophobicContact CD1-CD2 4.24Å; L792-F885 HydrophobicContact CD1-CE1 3.86Å; L792-F885 HydrophobicContact CD1-CE2 4.04Å; L792-F885 HydrophobicContact CD1-CG 4.25Å; L792-F885 HydrophobicContact CD1-CZ 3.84Å; L792-F885 HydrophobicContact CD2-CE1 3.73Å; L792-F885 HydrophobicContact CD2-CZ 3.75Å; L792-F885 HydrophobicContact CG-CE1 4.42Å; L792-F885 HydrophobicContact CG-CZ 4.49Å
793	Q	95.6	Very high	95	Very high	25 Å²	25	17.1 Å²	17.1	12%	0.117	8%	0.075	C	C	.	.	H	α-helix	trans	-62.7	-42.4	177.6	-176	170	-15.6	0	0	112.1	A609 E612 D789 T790 T796 S797	A609-Q793 HydrophobicContact CB-CG 4.21Å; E612-Q793 PolarHBondContact OE2-NE2 2.68Å; E612-Q793 PolarHBondContact OE2-OE1 2.84Å; D789-Q793 WeakPolarHBondContact O-CB 3.35Å; D789-Q793 PolarHBondContact O-N 2.76Å; T790-Q793 PolarHBondContact O-N 2.9Å; Q793-T796 PolarHBondContact O-OG1 2.82Å; Q793-S797 WeakPolarHBondContact O-CB 3.31Å; Q793-S797 PolarHBondContact O-N 3.3Å; Q793-S797 PolarHBondContact O-OG 3.39Å
794	L	96.1	Very high	94.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.6	-53.8	176.5	177.4	64.4	0	0	0	111.4	A609 V610 F613 F687 T790 V791 T796 S797 E798 L874	A609-L794 HydrophobicContact CB-CD1 4.46Å; V610-L794 HydrophobicContact CB-CD1 4.47Å; V610-L794 HydrophobicContact CG2-CD1 3.62Å; F613-L794 HydrophobicContact CB-CB 4.34Å; F613-L794 HydrophobicContact CB-CD2 4.1Å; F613-L794 HydrophobicContact CD1-CD2 3.64Å; F613-L794 HydrophobicContact CD2-CB 4.3Å; F613-L794 HydrophobicContact CD2-CD2 3.71Å; F613-L794 HydrophobicContact CE1-CD2 3.82Å; F613-L794 HydrophobicContact CE2-CD2 3.87Å; F613-L794 HydrophobicContact CG-CB 4.43Å; F613-L794 HydrophobicContact CG-CD2 3.56Å; F613-L794 HydrophobicContact CZ-CD2 3.91Å; F687-L794 HydrophobicContact CE1-CD1 4.46Å; F687-L794 HydrophobicContact CZ-CD1 4.3Å; T790-L794 WeakPolarHBondContact O-CB 3.48Å; T790-L794 PolarHBondContact O-N 3Å; V791-L794 PolarHBondContact O-N 3.41Å; L794-T796 VanDerWaalsContact C-N 3.33Å; L794-T796 PolarHBondContact O-N 3.33Å; L794-S797 PolarHBondContact O-N 2.87Å; L794-E798 WeakPolarHBondContact O-CB 3.27Å; L794-E798 PolarHBondContact O-N 2.83Å; L794-L874 HydrophobicContact CD2-CD2 4.43Å
795	I	95.8	Very high	94.5	Very high	9 Å²	9	17 Å²	17	5%	0.046	8%	0.075	C	C	.	.	H	α-helix	trans	-61.5	-43.1	-176.3	-66.2	166.5	0	0	0	111	V791 Y799 L874 C877 K878 C881	V791-I795 HydrophobicContact CG1-CD1 3.74Å; V791-I795 VanDerWaalsContact O-CG1 3.3Å; V791-I795 WeakPolarHBondContact O-CG1 3.48Å; V791-I795 PolarHBondContact O-N 2.83Å; V791-I795 VanDerWaalsContact O-N 3.09Å; I795-Y799 WeakPolarHBondContact O-CB 3.29Å; I795-Y799 PolarHBondContact O-N 3.41Å; I795-L874 HydrophobicContact CD1-CD1 3.97Å; I795-L874 HydrophobicContact CG1-CD1 4Å; I795-C877 HydrophobicContact CD1-CB 3.58Å; I795-K878 HydrophobicContact CD1-CG 4.11Å; I795-K878 HydrophobicContact CG1-CG 3.92Å; I795-K878 HydrophobicContact CG2-CG 4.13Å; I795-C881 HydrophobicContact CG2-CB 3.7Å
796	T	95.1	Very high	94	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.7	-40.3	179.1	55.9	0	0	0	0	112	L792 Q793 L794 Y799 L800 L819 V820	L792-T796 HydrophobicContact CD1-CG2 3.89Å; L792-T796 HydrophobicContact CG-CG2 4.47Å; L792-T796 WeakPolarHBondContact O-CB 3.45Å; L792-T796 VanDerWaalsContact O-CG2 3.26Å; L792-T796 WeakPolarHBondContact O-CG2 3.26Å; L792-T796 PolarHBondContact O-N 2.95Å; L792-T796 PolarHBondContact O-OG1 3.01Å; Q793-T796 PolarHBondContact O-OG1 2.82Å; L794-T796 VanDerWaalsContact C-N 3.33Å; L794-T796 PolarHBondContact O-N 3.33Å; T796-Y799 PolarHBondContact O-N 3.28Å; T796-L800 WeakPolarHBondContact O-CB 3.12Å; T796-L800 VanDerWaalsContact O-CG 3.22Å; T796-L800 WeakPolarHBondContact O-CG 3.4Å; T796-L800 PolarHBondContact O-N 3.05Å; T796-L819 HydrophobicContact CG2-CD2 3.66Å; T796-L819 HydrophobicContact CG2-CG 4.35Å; T796-V820 HydrophobicContact CG2-CG2 3.78Å
797	S	96	Very high	93.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.7	-42.5	176	-57.8	0	0	0	0	111.6	Q793 L794 L800 Y801 R816	Q793-S797 WeakPolarHBondContact O-CB 3.31Å; Q793-S797 PolarHBondContact O-N 3.3Å; Q793-S797 PolarHBondContact O-OG 3.39Å; L794-S797 PolarHBondContact O-N 2.87Å; S797-L800 PolarHBondContact O-N 3.09Å; S797-Y801 VanDerWaalsContact O-CB 3.31Å; S797-Y801 WeakPolarHBondContact O-CB 3.34Å; S797-Y801 PolarHBondContact O-N 2.99Å; S797-R816 WeakPolarHBondContact OG-CD 3.39Å; S797-R816 PolarHBondContact OG-NH1 3.41Å; S797-R816 VanDerWaalsContact OG-NH1 3.1Å
798	E	95	Very high	93.4	Very high	22 Å²	22	20.5 Å²	20.5	10%	0.103	10%	0.096	C	C	.	.	H	α-helix	trans	-59.2	-47.6	174.5	-175.5	-170.5	172	0	0	111.3	L606 F687 L794 Y801 K802	L606-E798 HydrophobicContact CD1-CB 4.26Å; F687-E798 HydrophobicContact CE1-CB 4.45Å; F687-E798 HydrophobicContact CE1-CG 4.06Å; F687-E798 HydrophobicContact CZ-CG 4.45Å; L794-E798 WeakPolarHBondContact O-CB 3.27Å; L794-E798 PolarHBondContact O-N 2.83Å; E798-Y801 PolarHBondContact O-N 3.15Å; E798-K802 HydrophobicContact CG-CD 4.18Å; E798-K802 WeakPolarHBondContact O-CG 3.45Å; E798-K802 PolarHBondContact O-N 3.39Å; E798-K802 WeakPolarHBondContact OE1-CE 3.36Å; E798-K802 IonicContact OE1-NZ 3.52Å; E798-K802 PolarHBondContact OE1-NZ 3.17Å
799	Y	93.7	Very high	93.1	Very high	55 Å²	55	23.7 Å²	23.7	22%	0.216	11%	0.111	C	C	.	.	H	α-helix	trans	-60.9	-50.2	177.6	-176.7	-86.8	0	0	0	111.5	I795 T796 Y801 K802 Y803 F804 I886 L889	I795-Y799 WeakPolarHBondContact O-CB 3.29Å; I795-Y799 PolarHBondContact O-N 3.41Å; T796-Y799 PolarHBondContact O-N 3.28Å; Y799-Y801 VanDerWaalsContact C-N 3.29Å; Y799-Y801 PolarHBondContact O-N 3.01Å; Y799-K802 PolarHBondContact O-N 2.71Å; Y799-Y803 HydrophobicContact CD1-CD2 4.1Å; Y799-Y803 AromaticContact CD2-CD2 3.39Å; Y799-Y803 HydrophobicContact CD2-CD2 3.39Å; Y799-Y803 AromaticContact CD2-CE2 3.45Å; Y799-Y803 HydrophobicContact CD2-CE2 3.45Å; Y799-Y803 VanDerWaalsContact CD2-CE2 3.45Å; Y799-Y803 HydrophobicContact CE1-CD2 4.05Å; Y799-Y803 HydrophobicContact CE1-CG 4.44Å; Y799-Y803 AromaticContact CE2-CD2 3.32Å; Y799-Y803 HydrophobicContact CE2-CD2 3.32Å; Y799-Y803 AromaticContact CE2-CE2 3.43Å; Y799-Y803 HydrophobicContact CE2-CE2 3.43Å; Y799-Y803 VanDerWaalsContact CE2-CE2 3.43Å; Y799-Y803 HydrophobicContact CE2-CG 4.13Å; Y799-Y803 AromaticContact CG-CD2 3.78Å; Y799-Y803 HydrophobicContact CG-CD2 3.78Å; Y799-Y803 HydrophobicContact CG-CE2 4.24Å; Y799-Y803 AromaticContact CZ-CD2 3.66Å; Y799-Y803 VanDerWaalsContact O-CD2 3.24Å; Y799-Y803 WeakPolarHBondContact O-CD2 3.08Å; Y799-Y803 PolarHBondContact O-N 3.01Å; Y799-F804 HydrophobicContact CE1-CE2 4.22Å; Y799-I886 HydrophobicContact CD1-CD1 3.54Å; Y799-I886 HydrophobicContact CD1-CG1 4.4Å; Y799-I886 HydrophobicContact CD1-CG2 4.42Å; Y799-I886 HydrophobicContact CD2-CD1 4.01Å; Y799-I886 HydrophobicContact CD2-CG1 4.14Å; Y799-I886 HydrophobicContact CD2-CG2 4.46Å; Y799-I886 HydrophobicContact CE1-CD1 3.91Å; Y799-I886 HydrophobicContact CE1-CG1 4.44Å; Y799-I886 HydrophobicContact CE1-CG2 3.67Å; Y799-I886 HydrophobicContact CE2-CD1 4.35Å; Y799-I886 HydrophobicContact CE2-CG1 4.2Å; Y799-I886 HydrophobicContact CE2-CG2 3.72Å; Y799-I886 HydrophobicContact CG-CD1 3.62Å; Y799-I886 HydrophobicContact CG-CG1 4.26Å; Y799-I886 VanDerWaalsContact OH-CG2 3.27Å; Y799-I886 WeakPolarHBondContact OH-CG2 3.37Å; Y799-L889 HydrophobicContact CE1-CD2 4.27Å
800	L	93.8	Very high	92.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-38.9	180	-69.7	174.3	0	0	0	111.4	T796 S797 F804 L812 L815 R816 L889	T796-L800 WeakPolarHBondContact O-CB 3.12Å; T796-L800 VanDerWaalsContact O-CG 3.22Å; T796-L800 WeakPolarHBondContact O-CG 3.4Å; T796-L800 PolarHBondContact O-N 3.05Å; S797-L800 PolarHBondContact O-N 3.09Å; L800-F804 HydrophobicContact CD2-CD2 3.85Å; L800-F804 HydrophobicContact CD2-CE2 3.9Å; L800-F804 VanDerWaalsContact O-CB 3.31Å; L800-F804 WeakPolarHBondContact O-CB 3.41Å; L800-F804 PolarHBondContact O-N 3.03Å; L800-L812 HydrophobicContact CB-CD2 4.12Å; L800-L815 HydrophobicContact CD1-CB 4.04Å; L800-L815 HydrophobicContact CD2-CB 3.96Å; L800-L815 HydrophobicContact CD2-CD1 4.12Å; L800-R816 HydrophobicContact CD1-CB 3.82Å; L800-L889 HydrophobicContact CD2-CD2 3.89Å
801	Y	94	Very high	92.5	Very high	27 Å²	27	23.5 Å²	23.5	11%	0.106	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-49	175.2	-176.3	-83.2	0	0	0	112	R602 L603 L606 L688 S797 E798 Y799	R602-Y801 HydrophobicContact CB-CD2 4.12Å; R602-Y801 HydrophobicContact CB-CE2 3.72Å; R602-Y801 PolarHBondContact NH2-O 3.43Å; R602-Y801 VanDerWaalsContact O-CD2 3.28Å; R602-Y801 WeakPolarHBondContact O-CD2 3.34Å; R602-Y801 WeakPolarHBondContact O-CE2 3.04Å; L603-Y801 HydrophobicContact CD2-CE2 3.99Å; L603-Y801 VanDerWaalsContact CD2-OH 3.25Å; L603-Y801 WeakPolarHBondContact CD2-OH 3.41Å; L603-Y801 HydrophobicContact CG-CE2 4.37Å; L606-Y801 HydrophobicContact CB-CD2 4.18Å; L606-Y801 HydrophobicContact CD2-CD1 4.3Å; L606-Y801 HydrophobicContact CD2-CD2 4.27Å; L606-Y801 HydrophobicContact CD2-CG 4.11Å; L688-Y801 HydrophobicContact CD1-CD1 4.14Å; L688-Y801 HydrophobicContact CD1-CE1 3.44Å; L688-Y801 VanDerWaalsContact CD1-CE1 3.44Å; L688-Y801 HydrophobicContact CD2-CD1 4.47Å; L688-Y801 HydrophobicContact CD2-CE1 4.44Å; S797-Y801 VanDerWaalsContact O-CB 3.31Å; S797-Y801 WeakPolarHBondContact O-CB 3.34Å; S797-Y801 PolarHBondContact O-N 2.99Å; E798-Y801 PolarHBondContact O-N 3.15Å; Y799-Y801 VanDerWaalsContact C-N 3.29Å; Y799-Y801 PolarHBondContact O-N 3.01Å
802	K	91.4	Very high	92.3	Very high	71 Å²	71	23.5 Å²	23.5	31%	0.309	12%	0.117	S	C	.	.	H	α-helix	trans	-71.2	-40.5	-175.4	-72.7	178.1	176.1	177.2	0	113.1	A592 K593 E798 Y799	A592-K802 WeakPolarHBondContact CA-O 3.49Å; A592-K802 HydrophobicContact CB-CB 4.21Å; K593-K802 PolarHBondContact N-O 3.37Å; E798-K802 HydrophobicContact CG-CD 4.18Å; E798-K802 WeakPolarHBondContact O-CG 3.45Å; E798-K802 PolarHBondContact O-N 3.39Å; E798-K802 WeakPolarHBondContact OE1-CE 3.36Å; E798-K802 IonicContact OE1-NZ 3.52Å; E798-K802 PolarHBondContact OE1-NZ 3.17Å; Y799-K802 PolarHBondContact O-N 2.71Å
803	Y	91.1	Very high	92.1	Very high	61 Å²	61	24.6 Å²	24.6	24%	0.239	12%	0.124	C	C	.	.	H	α-helix	trans	-100	-11.4	-170.4	-62.4	-76.7	0	0	0	114.4	G588 C589 Y799 P805	G588-Y803 CarbonylContact C-O 3.51Å; G588-Y803 VanDerWaalsContact CA-O 3.23Å; G588-Y803 WeakPolarHBondContact CA-O 3.45Å; C589-Y803 PolarHBondContact N-O 3.48Å; C589-Y803 WeakPolarHBondContact O-CD1 3.33Å; Y799-Y803 HydrophobicContact CD1-CD2 4.1Å; Y799-Y803 AromaticContact CD2-CD2 3.39Å; Y799-Y803 HydrophobicContact CD2-CD2 3.39Å; Y799-Y803 AromaticContact CD2-CE2 3.45Å; Y799-Y803 HydrophobicContact CD2-CE2 3.45Å; Y799-Y803 VanDerWaalsContact CD2-CE2 3.45Å; Y799-Y803 HydrophobicContact CE1-CD2 4.05Å; Y799-Y803 HydrophobicContact CE1-CG 4.44Å; Y799-Y803 AromaticContact CE2-CD2 3.32Å; Y799-Y803 HydrophobicContact CE2-CD2 3.32Å; Y799-Y803 AromaticContact CE2-CE2 3.43Å; Y799-Y803 HydrophobicContact CE2-CE2 3.43Å; Y799-Y803 VanDerWaalsContact CE2-CE2 3.43Å; Y799-Y803 HydrophobicContact CE2-CG 4.13Å; Y799-Y803 AromaticContact CG-CD2 3.78Å; Y799-Y803 HydrophobicContact CG-CD2 3.78Å; Y799-Y803 HydrophobicContact CG-CE2 4.24Å; Y799-Y803 AromaticContact CZ-CD2 3.66Å; Y799-Y803 VanDerWaalsContact O-CD2 3.24Å; Y799-Y803 WeakPolarHBondContact O-CD2 3.08Å; Y799-Y803 PolarHBondContact O-N 3.01Å; Y803-P805 VanDerWaalsContact O-CD 3.26Å; Y803-P805 WeakPolarHBondContact O-CD 3.43Å
804	F	90.7	Very high	91.8	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.026	13%	0.134	C	C	.	.			trans	-118.4	62.2	176.6	-66.4	-101.3	0	0	0	113	G588 R602 Y799 L800 T806 H807 L812 L815 L889 I893	G588-F804 VanDerWaalsContact N-CE1 3.27Å; R602-F804 PolarHBondContact NH2-O 2.73Å; Y799-F804 HydrophobicContact CE1-CE2 4.22Å; L800-F804 HydrophobicContact CD2-CD2 3.85Å; L800-F804 HydrophobicContact CD2-CE2 3.9Å; L800-F804 VanDerWaalsContact O-CB 3.31Å; L800-F804 WeakPolarHBondContact O-CB 3.41Å; L800-F804 PolarHBondContact O-N 3.03Å; F804-T806 PolarHBondContact O-N 2.78Å; F804-T806 VanDerWaalsContact O-N 3.16Å; F804-H807 HydrophobicContact CB-CB 4.17Å; F804-H807 AromaticContact CD1-CE1 3.63Å; F804-H807 AromaticContact CD1-ND1 3.93Å; F804-H807 AromaticContact CD1-NE2 3.82Å; F804-H807 WeakPolarHBondContact O-CB 3.21Å; F804-H807 PolarHBondContact O-N 3.38Å; F804-L812 HydrophobicContact CB-CD2 3.88Å; F804-L815 HydrophobicContact CD1-CD1 3.9Å; F804-L815 HydrophobicContact CE1-CD1 4.03Å; F804-L815 HydrophobicContact CG-CD1 4.27Å; F804-L889 HydrophobicContact CE2-CD2 3.48Å; F804-L889 VanDerWaalsContact CE2-CD2 3.48Å; F804-L889 HydrophobicContact CZ-CD2 3.44Å; F804-L889 VanDerWaalsContact CZ-CD2 3.44Å; F804-L889 HydrophobicContact CZ-CG 4.25Å; F804-I893 HydrophobicContact CE1-CD1 3.82Å; F804-I893 HydrophobicContact CZ-CD1 3.95Å
805	P	88.9	Confident	91.6	Very high	6 Å²	6	26.4 Å²	26.4	4%	0.039	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.7	-173.7	28.9	-39.1	0	0	0	115.4	K593 S595 Y803 H807	K593-P805 HydrophobicContact CB-CG 4.13Å; K593-P805 HydrophobicContact CD-CG 4.47Å; K593-P805 HydrophobicContact CG-CG 4.47Å; K593-P805 WeakPolarHBondContact O-CB 3.42Å; S595-P805 PolarHBondContact OG-O 3.09Å; S595-P805 VanDerWaalsContact OG-O 3.09Å; Y803-P805 VanDerWaalsContact O-CD 3.26Å; Y803-P805 WeakPolarHBondContact O-CD 3.43Å; P805-H807 VanDerWaalsContact C-N 3.34Å
806	T	85.2	Confident	91.5	Very high	63 Å²	63	27.8 Å²	27.8	39%	0.387	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.3	-179.7	57.2	0	0	0	0	113.4	Q574 Q586 F804	Q574-T806 PolarHBondContact NE2-O 3.17Å; Q586-T806 PolarHBondContact OE1-OG1 2.9Å; F804-T806 PolarHBondContact O-N 2.78Å; F804-T806 VanDerWaalsContact O-N 3.16Å
807	H	89	Confident	91.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	17%	0.165	C	C	.	.			trans	-91.7	134.1	-174	-70.1	56.1	0	0	0	110.4	V583 R602 F804 P805 H811 L812	V583-H807 PolarHBondContact O-CE1 3.39Å; V583-H807 PolarHBondContact O-NE2 3.42Å; R602-H807 VanDerWaalsContact CD-O 3.24Å; R602-H807 WeakPolarHBondContact CD-O 3.31Å; R602-H807 PolarHBondContact NE-O 3.11Å; F804-H807 HydrophobicContact CB-CB 4.17Å; F804-H807 AromaticContact CD1-CE1 3.63Å; F804-H807 AromaticContact CD1-ND1 3.93Å; F804-H807 AromaticContact CD1-NE2 3.82Å; F804-H807 WeakPolarHBondContact O-CB 3.21Å; F804-H807 PolarHBondContact O-N 3.38Å; P805-H807 VanDerWaalsContact C-N 3.34Å; H807-H811 HydrophobicContact CB-CB 3.87Å; H807-L812 HydrophobicContact CB-CD2 3.61Å; H807-L812 HydrophobicContact CB-CG 4.1Å
808	Q	88.5	Confident	90.9	Very high	36 Å²	36	32.2 Å²	32.2	17%	0.168	17%	0.17	C	C	.	.			trans	-81	167.5	173.9	-62.7	-175	-25.6	0	0	109.7	G810 H811 L812	Q808-G810 PolarHBondContact O-N 3.01Å; Q808-H811 WeakPolarHBondContact O-CA 3.48Å; Q808-H811 WeakPolarHBondContact O-CB 3.16Å; Q808-H811 PolarHBondContact O-N 2.98Å; Q808-L812 PolarHBondContact O-N 3.34Å
809	E	91.6	Very high	90.6	Very high	67 Å²	67	31.2 Å²	31.2	31%	0.313	17%	0.165	S	C	.	.	H	α-helix	trans	-41.2	-60.9	178.1	173.5	-76.5	129.3	0	0	111.9	E601 F605 H811 L812 S813	E601-E809 HydrophobicContact CB-CB 4.1Å; E601-E809 WeakPolarHBondContact O-CB 3.27Å; F605-E809 HydrophobicContact CB-CB 4.49Å; F605-E809 HydrophobicContact CB-CG 4.06Å; E809-H811 PolarHBondContact O-N 3.47Å; E809-L812 CarbonylContact O-C 3.2Å; E809-L812 WeakPolarHBondContact O-CA 3.49Å; E809-L812 WeakPolarHBondContact O-CB 3.33Å; E809-L812 PolarHBondContact O-N 3.11Å; E809-S813 PolarHBondContact O-N 3.43Å; E809-S813 PolarHBondContact O-OG 3.02Å; E809-S813 PolarHBondContact OE1-OG 2.98Å
810	G	87.5	Confident	90.5	Very high	30 Å²	30	29.8 Å²	29.8	31%	0.309	16%	0.162	S	C	.	.	H	α-helix	trans	-60.6	-24.3	-177.3	0	0	0	0	0	115.1	Q808 L814	Q808-G810 PolarHBondContact O-N 3.01Å; G810-L814 VanDerWaalsContact O-CG 3.27Å; G810-L814 WeakPolarHBondContact O-CG 3.22Å; G810-L814 PolarHBondContact O-N 2.85Å
811	H	89.9	Confident	90.4	Very high	13 Å²	13	31.2 Å²	31.2	6%	0.06	17%	0.172	C	C	.	.	H	α-helix	trans	-75.6	-41.1	172.4	-59.1	155.7	0	0	0	111.6	Q574 L580 V583 M584 H807 Q808 E809 L814 L815	Q574-H811 PolarHBondContact OE1-CE1 2.96Å; Q574-H811 PolarHBondContact OE1-ND1 3.28Å; L580-H811 WeakPolarHBondContact CD1-CD2 3.33Å; L580-H811 WeakPolarHBondContact CD1-NE2 3.29Å; V583-H811 WeakPolarHBondContact CG1-ND1 3.45Å; M584-H811 HydrophobicContact SD-CB 3.83Å; H807-H811 HydrophobicContact CB-CB 3.87Å; Q808-H811 WeakPolarHBondContact O-CA 3.48Å; Q808-H811 WeakPolarHBondContact O-CB 3.16Å; Q808-H811 PolarHBondContact O-N 2.98Å; E809-H811 PolarHBondContact O-N 3.47Å; H811-L814 PolarHBondContact O-N 3.49Å; H811-L815 WeakPolarHBondContact O-CG 3.44Å; H811-L815 PolarHBondContact O-N 3.48Å
812	L	92.6	Very high	90.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-43.3	175.3	-59	176.3	0	0	0	110.7	R602 F605 L800 F804 H807 Q808 E809 L814 L815 R816	R602-L812 HydrophobicContact CG-CD1 4.44Å; F605-L812 HydrophobicContact CD1-CB 4.1Å; F605-L812 HydrophobicContact CD1-CD1 3.8Å; F605-L812 HydrophobicContact CD2-CB 4.33Å; F605-L812 HydrophobicContact CE1-CB 3.79Å; F605-L812 HydrophobicContact CE1-CD1 4.07Å; F605-L812 HydrophobicContact CE2-CB 4.04Å; F605-L812 HydrophobicContact CG-CB 4.36Å; F605-L812 HydrophobicContact CG-CD1 4.36Å; F605-L812 HydrophobicContact CZ-CB 3.76Å; L800-L812 HydrophobicContact CB-CD2 4.12Å; F804-L812 HydrophobicContact CB-CD2 3.88Å; H807-L812 HydrophobicContact CB-CD2 3.61Å; H807-L812 HydrophobicContact CB-CG 4.1Å; Q808-L812 PolarHBondContact O-N 3.34Å; E809-L812 CarbonylContact O-C 3.2Å; E809-L812 WeakPolarHBondContact O-CA 3.49Å; E809-L812 WeakPolarHBondContact O-CB 3.33Å; E809-L812 PolarHBondContact O-N 3.11Å; L812-L814 PolarHBondContact O-N 2.99Å; L812-L815 PolarHBondContact O-N 2.84Å; L812-L815 VanDerWaalsContact O-N 3.17Å; L812-R816 WeakPolarHBondContact O-CB 3.38Å; L812-R816 PolarHBondContact O-N 2.92Å
813	S	92.7	Very high	90.2	Very high	23 Å²	23	37.5 Å²	37.5	16%	0.161	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-44.7	175.4	-59.9	0	0	0	0	111.8	F605 E809 L815 R816 S817	F605-S813 WeakPolarHBondContact CD2-OG 3.43Å; E809-S813 PolarHBondContact O-N 3.43Å; E809-S813 PolarHBondContact O-OG 3.02Å; E809-S813 PolarHBondContact OE1-OG 2.98Å; S813-L815 PolarHBondContact O-N 3.06Å; S813-R816 PolarHBondContact O-N 2.8Å; S813-S817 PolarHBondContact O-N 3.04Å; S813-S817 PolarHBondContact O-OG 2.89Å; S813-S817 VanDerWaalsContact O-OG 3.13Å
814	L	90	Very high	90.3	Very high	61 Å²	61	34.9 Å²	34.9	32%	0.319	19%	0.194	S	C	.	.	H	α-helix	trans	-61	-45.1	173.4	-75.8	170.8	0	0	0	112.5	L580 M584 G810 H811 L812 R816 S817 C818 W898	L580-L814 HydrophobicContact CD1-CD1 4.09Å; M584-L814 HydrophobicContact CE-CB 3.92Å; G810-L814 VanDerWaalsContact O-CG 3.27Å; G810-L814 WeakPolarHBondContact O-CG 3.22Å; G810-L814 PolarHBondContact O-N 2.85Å; H811-L814 PolarHBondContact O-N 3.49Å; L812-L814 PolarHBondContact O-N 2.99Å; L814-R816 VanDerWaalsContact C-N 3.34Å; L814-R816 PolarHBondContact O-N 3.11Å; L814-S817 PolarHBondContact O-N 3.41Å; L814-C818 PolarHBondContact O-N 3.14Å; L814-C818 PolarHBondContact O-SG 3.23Å; L814-W898 HydrophobicContact CD1-CE3 4.36Å
815	L	91.5	Very high	90.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-41	176.9	-69.5	177.3	0	0	0	111.7	M584 L800 F804 H811 L812 S813 C818 L819 L889 I893	M584-L815 HydrophobicContact CE-CD2 3.54Å; M584-L815 HydrophobicContact CE-CG 3.79Å; M584-L815 HydrophobicContact SD-CG 4.46Å; L800-L815 HydrophobicContact CD1-CB 4.04Å; L800-L815 HydrophobicContact CD2-CB 3.96Å; L800-L815 HydrophobicContact CD2-CD1 4.12Å; F804-L815 HydrophobicContact CD1-CD1 3.9Å; F804-L815 HydrophobicContact CE1-CD1 4.03Å; F804-L815 HydrophobicContact CG-CD1 4.27Å; H811-L815 WeakPolarHBondContact O-CG 3.44Å; H811-L815 PolarHBondContact O-N 3.48Å; L812-L815 PolarHBondContact O-N 2.84Å; L812-L815 VanDerWaalsContact O-N 3.17Å; S813-L815 PolarHBondContact O-N 3.06Å; L815-C818 PolarHBondContact O-N 3.23Å; L815-L819 WeakPolarHBondContact O-CB 3.49Å; L815-L819 PolarHBondContact O-N 3Å; L815-L819 VanDerWaalsContact O-N 3.11Å; L815-L889 HydrophobicContact CB-CD1 4.49Å; L815-L889 HydrophobicContact CD2-CD1 4.16Å; L815-I893 HydrophobicContact CD2-CG1 4.18Å
816	R	93.1	Very high	90.8	Very high	38 Å²	38	34.7 Å²	34.7	14%	0.143	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-52.2	176.5	-173.9	173	75.2	-175.5	6.4	111	F605 D608 S797 L800 L812 S813 L814 C818 L819 V820	F605-R816 HydrophobicContact CZ-CB 4.35Å; D608-R816 IonicContact OD2-NH1 3.4Å; D608-R816 IonicContact OD2-NH2 2.74Å; S797-R816 WeakPolarHBondContact OG-CD 3.39Å; S797-R816 PolarHBondContact OG-NH1 3.41Å; S797-R816 VanDerWaalsContact OG-NH1 3.1Å; L800-R816 HydrophobicContact CD1-CB 3.82Å; L812-R816 WeakPolarHBondContact O-CB 3.38Å; L812-R816 PolarHBondContact O-N 2.92Å; S813-R816 PolarHBondContact O-N 2.8Å; L814-R816 VanDerWaalsContact C-N 3.34Å; L814-R816 PolarHBondContact O-N 3.11Å; R816-C818 PolarHBondContact O-N 3.29Å; R816-C818 VanDerWaalsContact O-N 3.15Å; R816-L819 PolarHBondContact O-N 2.79Å; R816-L819 VanDerWaalsContact O-N 3.12Å; R816-V820 PolarHBondContact O-N 3.44Å
817	S	90.2	Very high	91.2	Very high	78 Å²	78	34.8 Å²	34.8	55%	0.545	19%	0.194	S	C	.	.	H	α-helix	trans	-62.4	-22.5	179.9	-58.9	0	0	0	0	114.2	S813 L814	S813-S817 PolarHBondContact O-N 3.04Å; S813-S817 PolarHBondContact O-OG 2.89Å; S813-S817 VanDerWaalsContact O-OG 3.13Å; L814-S817 PolarHBondContact O-N 3.41Å
818	C	87.5	Confident	91.4	Very high	16 Å²	16	34.8 Å²	34.8	11%	0.108	19%	0.194	C	C	.	.	H	α-helix	trans	-81	-41.8	174.9	-61.8	0	0	0	0	112.1	L814 L815 R816 T824 F892 W898	L814-C818 PolarHBondContact O-N 3.14Å; L814-C818 PolarHBondContact O-SG 3.23Å; L815-C818 PolarHBondContact O-N 3.23Å; R816-C818 PolarHBondContact O-N 3.29Å; R816-C818 VanDerWaalsContact O-N 3.15Å; C818-T824 PolarHBondContact O-OG1 3.4Å; C818-F892 HydrophobicContact CB-CG 4.36Å; C818-W898 WeakPolarHBondContact SG-CA 3.25Å
819	L	89.9	Confident	91.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70.2	-46.4	-179.4	-172.3	63.6	0	0	0	110.8	T796 L815 R816 S821 T824 F885 I886	T796-L819 HydrophobicContact CG2-CD2 3.66Å; T796-L819 HydrophobicContact CG2-CG 4.35Å; L815-L819 WeakPolarHBondContact O-CB 3.49Å; L815-L819 PolarHBondContact O-N 3Å; L815-L819 VanDerWaalsContact O-N 3.11Å; R816-L819 PolarHBondContact O-N 2.79Å; R816-L819 VanDerWaalsContact O-N 3.12Å; L819-S821 PolarHBondContact O-N 3.15Å; L819-T824 WeakPolarHBondContact O-CB 3.44Å; L819-T824 WeakPolarHBondContact O-CG2 3.46Å; L819-F885 HydrophobicContact CD1-CB 4.04Å; L819-F885 VanDerWaalsContact CD1-O 3.28Å; L819-F885 WeakPolarHBondContact CD1-O 3.42Å; L819-F885 HydrophobicContact CG-CB 4.32Å; L819-F885 HydrophobicContact CG-CD1 4.48Å; L819-I886 HydrophobicContact CD2-CD1 3.96Å
820	V	91.6	Very high	91.7	Very high	26 Å²	26	33.5 Å²	33.5	16%	0.158	19%	0.191	C	C	.	.	S	Bend	trans	-99.2	80.9	178.3	-172.4	0	0	0	0	108.2	L792 T796 R816	L792-V820 HydrophobicContact CD1-CG2 4.42Å; L792-V820 HydrophobicContact CD2-CB 4.47Å; L792-V820 HydrophobicContact CD2-CG1 3.68Å; L792-V820 HydrophobicContact CD2-CG2 4.18Å; L792-V820 HydrophobicContact CG-CG1 4.08Å; L792-V820 HydrophobicContact CG-CG2 3.89Å; T796-V820 HydrophobicContact CG2-CG2 3.78Å; R816-V820 PolarHBondContact O-N 3.44Å
821	S	90.6	Very high	91.9	Very high	30 Å²	30	36.8 Å²	36.8	21%	0.21	20%	0.201	C	C	.	.	S	Bend	trans	-135.2	151	174.1	76.8	0	0	0	0	110.5	L819 K823 T824 Q825	L819-S821 PolarHBondContact O-N 3.15Å; S821-K823 PolarHBondContact O-N 2.88Å; S821-T824 PolarHBondContact O-N 2.67Å; S821-T824 PolarHBondContact OG-N 3.17Å; S821-T824 PolarHBondContact OG-OG1 3.46Å; S821-Q825 WeakPolarHBondContact O-CG 3.48Å; S821-Q825 PolarHBondContact O-N 3.42Å
822	N	92.3	Very high	92	Very high	78 Å²	78	37.9 Å²	37.9	42%	0.417	21%	0.207	S	C	.	.	H	α-helix	trans	-55.4	-33.1	179.2	-55	23.5	0	0	0	111.6	A826 T854 A858	N822-A826 WeakPolarHBondContact O-CB 3.29Å; N822-A826 PolarHBondContact O-N 2.89Å; N822-T854 HydrophobicContact CB-CG2 4.31Å; N822-T854 WeakPolarHBondContact O-CG2 3.35Å; N822-A858 HydrophobicContact CB-CB 4.05Å
823	K	90.8	Very high	91.8	Very high	152 Å²	152	38.4 Å²	38.4	66%	0.661	21%	0.213	S	C	*	.	H	α-helix	trans	-66.7	-47.4	176.1	-67.6	-177.7	-179.8	179.6	0	111.6	S821 V827 T854	S821-K823 PolarHBondContact O-N 2.88Å; K823-V827 WeakPolarHBondContact O-CG2 3.41Å; K823-V827 PolarHBondContact O-N 3.32Å; K823-T854 HydrophobicContact CG-CG2 4.48Å
824	T	92	Very high	91.8	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-46	179.3	-53.8	0	0	0	0	110.8	C818 L819 S821 V827 I828 F892	C818-T824 PolarHBondContact O-OG1 3.4Å; L819-T824 WeakPolarHBondContact O-CB 3.44Å; L819-T824 WeakPolarHBondContact O-CG2 3.46Å; S821-T824 PolarHBondContact O-N 2.67Å; S821-T824 PolarHBondContact OG-N 3.17Å; S821-T824 PolarHBondContact OG-OG1 3.46Å; T824-V827 PolarHBondContact O-N 3.46Å; T824-I828 HydrophobicContact CG2-CD1 4.14Å; T824-I828 WeakPolarHBondContact O-CG1 3.47Å; T824-I828 PolarHBondContact O-N 2.96Å; T824-F892 HydrophobicContact CG2-CE2 4.3Å; T824-F892 HydrophobicContact CG2-CZ 4.23Å; T824-F892 WeakPolarHBondContact OG1-CZ 3.34Å
825	Q	95.3	Very high	91.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-65.5	-39.4	180	-64.8	-175.7	33.4	0	0	112.3	S821 V827 I828 C829 A858 V861 E862 F885	S821-Q825 WeakPolarHBondContact O-CG 3.48Å; S821-Q825 PolarHBondContact O-N 3.42Å; Q825-V827 VanDerWaalsContact C-N 3.32Å; Q825-V827 PolarHBondContact O-N 2.85Å; Q825-I828 CarbonylContact O-C 3.57Å; Q825-I828 WeakPolarHBondContact O-CB 3.33Å; Q825-I828 PolarHBondContact O-N 3.29Å; Q825-I828 VanDerWaalsContact O-N 3.11Å; Q825-C829 WeakPolarHBondContact O-CB 3.47Å; Q825-C829 PolarHBondContact O-N 2.86Å; Q825-A858 HydrophobicContact CB-CB 3.77Å; Q825-A858 PolarHBondContact OE1-O 3.08Å; Q825-A858 VanDerWaalsContact OE1-O 3.12Å; Q825-V861 HydrophobicContact CB-CB 4.47Å; Q825-E862 PolarHBondContact NE2-OE1 2.82Å; Q825-E862 PolarHBondContact OE1-OE1 3.18Å; Q825-F885 HydrophobicContact CG-CE1 3.87Å; Q825-F885 HydrophobicContact CG-CZ 4.09Å
826	A	94.4	Very high	91.5	Very high	6 Å²	6	44.5 Å²	44.5	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-62.4	-38.4	175.3	0	0	0	0	0	112.9	N822 I828 C829 D830 T854 K857	N822-A826 WeakPolarHBondContact O-CB 3.29Å; N822-A826 PolarHBondContact O-N 2.89Å; A826-I828 VanDerWaalsContact C-N 3.33Å; A826-C829 WeakPolarHBondContact O-CB 3.3Å; A826-C829 PolarHBondContact O-N 3.25Å; A826-D830 PolarHBondContact O-N 2.88Å; A826-T854 HydrophobicContact CB-CG2 3.75Å; A826-K857 HydrophobicContact CB-CB 3.8Å; A826-K857 HydrophobicContact CB-CD 4.19Å
827	V	93.2	Very high	91.3	Very high	66 Å²	66	43.4 Å²	43.4	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-65.4	-39.3	173.8	179.1	0	0	0	0	110.7	K823 T824 Q825 D830 D831	K823-V827 WeakPolarHBondContact O-CG2 3.41Å; K823-V827 PolarHBondContact O-N 3.32Å; T824-V827 PolarHBondContact O-N 3.46Å; Q825-V827 VanDerWaalsContact C-N 3.32Å; Q825-V827 PolarHBondContact O-N 2.85Å; V827-D830 PolarHBondContact O-N 3.29Å; V827-D831 WeakPolarHBondContact O-CB 3.45Å; V827-D831 PolarHBondContact O-N 3.17Å
828	I	93.3	Very high	91.1	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-42.5	175	-68.8	168.4	0	0	0	111	T824 Q825 A826 D830 D831 I832 V861 F880 C884 F885	T824-I828 HydrophobicContact CG2-CD1 4.14Å; T824-I828 WeakPolarHBondContact O-CG1 3.47Å; T824-I828 PolarHBondContact O-N 2.96Å; Q825-I828 CarbonylContact O-C 3.57Å; Q825-I828 WeakPolarHBondContact O-CB 3.33Å; Q825-I828 PolarHBondContact O-N 3.29Å; Q825-I828 VanDerWaalsContact O-N 3.11Å; A826-I828 VanDerWaalsContact C-N 3.33Å; I828-D830 VanDerWaalsContact C-N 3.31Å; I828-D830 PolarHBondContact O-N 3.24Å; I828-D831 PolarHBondContact O-N 2.59Å; I828-I832 HydrophobicContact CG2-CD1 3.52Å; I828-I832 HydrophobicContact CG2-CG1 4.28Å; I828-I832 WeakPolarHBondContact O-CB 3.05Å; I828-I832 VanDerWaalsContact O-CG1 3.27Å; I828-I832 WeakPolarHBondContact O-CG1 3.34Å; I828-I832 PolarHBondContact O-N 2.87Å; I828-V861 HydrophobicContact CG2-CG1 4.48Å; I828-F880 HydrophobicContact CG2-CZ 4.5Å; I828-C884 HydrophobicContact CD1-CB 4.42Å; I828-C884 HydrophobicContact CG2-CB 4.08Å; I828-F885 HydrophobicContact CD1-CD1 3.65Å; I828-F885 HydrophobicContact CD1-CD2 3.73Å; I828-F885 HydrophobicContact CD1-CE1 3.61Å; I828-F885 HydrophobicContact CD1-CE2 3.7Å; I828-F885 HydrophobicContact CD1-CG 3.72Å; I828-F885 HydrophobicContact CD1-CZ 3.64Å
829	C	94.4	Very high	90.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.1	-45.7	175.9	-167.8	0	0	0	0	111.6	Q825 A826 G833 I834 P835 K857 V861	Q825-C829 WeakPolarHBondContact O-CB 3.47Å; Q825-C829 PolarHBondContact O-N 2.86Å; A826-C829 WeakPolarHBondContact O-CB 3.3Å; A826-C829 PolarHBondContact O-N 3.25Å; C829-G833 PolarHBondContact O-N 3.4Å; C829-I834 PolarHBondContact O-N 3.13Å; C829-I834 VanDerWaalsContact O-N 3.16Å; C829-P835 WeakPolarHBondContact O-CD 3.32Å; C829-K857 HydrophobicContact CB-CB 3.89Å; C829-K857 WeakPolarHBondContact CB-O 3.49Å; C829-K857 PolarHBondContact SG-O 2.94Å; C829-V861 HydrophobicContact CB-CG2 3.58Å
830	D	93.2	Very high	89	Confident	77 Å²	77	45.9 Å²	45.9	41%	0.412	25%	0.247	S	C	.	.	H	α-helix	trans	-70.3	-40.8	177.6	-71.8	-27.1	0	0	0	112.5	A826 V827 I828 I832 G833 K857	A826-D830 PolarHBondContact O-N 2.88Å; V827-D830 PolarHBondContact O-N 3.29Å; I828-D830 VanDerWaalsContact C-N 3.31Å; I828-D830 PolarHBondContact O-N 3.24Å; D830-I832 VanDerWaalsContact C-N 3.33Å; D830-I832 PolarHBondContact O-N 3.27Å; D830-G833 PolarHBondContact O-N 3.03Å; D830-K857 WeakPolarHBondContact OD1-CD 3.3Å; D830-K857 VanDerWaalsContact OD1-CE 3.25Å; D830-K857 WeakPolarHBondContact OD1-CE 3.29Å; D830-K857 IonicContact OD1-NZ 3.47Å; D830-K857 PolarHBondContact OD1-NZ 2.96Å; D830-K857 IonicContact OD2-NZ 3.44Å; D830-K857 PolarHBondContact OD2-NZ 2.85Å
831	D	91.7	Very high	87.6	Confident	99 Å²	99	45.7 Å²	45.7	53%	0.529	25%	0.246	S	C	.	.	H	α-helix	trans	-66.3	-34.7	179.5	-74	-20.7	0	0	0	112.1	V827 I828 R888	V827-D831 WeakPolarHBondContact O-CB 3.45Å; V827-D831 PolarHBondContact O-N 3.17Å; I828-D831 PolarHBondContact O-N 2.59Å; D831-R888 IonicContact OD2-CZ 3.42Å; D831-R888 IonicContact OD2-NH1 3.93Å; D831-R888 IonicContact OD2-NH2 3.12Å; D831-R888 PolarHBondContact OD2-NH2 3.44Å
832	I	90.7	Very high	86	Confident	35 Å²	35	50.5 Å²	50.5	18%	0.179	27%	0.274	C	S	.	.	H	α-helix	trans	-79.1	-28.3	174.7	-64.9	169.2	0	0	0	111.1	F748 I752 I828 D830 I834 F880	F748-I832 HydrophobicContact CE2-CG2 3.79Å; F748-I832 HydrophobicContact CZ-CG2 4.21Å; I752-I832 HydrophobicContact CD1-CG2 3.88Å; I752-I832 HydrophobicContact CG1-CG2 4.21Å; I828-I832 HydrophobicContact CG2-CD1 3.52Å; I828-I832 HydrophobicContact CG2-CG1 4.28Å; I828-I832 WeakPolarHBondContact O-CB 3.05Å; I828-I832 VanDerWaalsContact O-CG1 3.27Å; I828-I832 WeakPolarHBondContact O-CG1 3.34Å; I828-I832 PolarHBondContact O-N 2.87Å; D830-I832 VanDerWaalsContact C-N 3.33Å; D830-I832 PolarHBondContact O-N 3.27Å; I832-I834 HydrophobicContact CB-CG1 4.28Å; I832-I834 HydrophobicContact CG2-CD1 4.48Å; I832-I834 HydrophobicContact CG2-CG1 3.89Å; I832-F880 HydrophobicContact CD1-CE2 3.57Å; I832-F880 HydrophobicContact CD1-CZ 3.5Å; I832-F880 VanDerWaalsContact CD1-CZ 3.5Å
833	G	90.4	Very high	84.1	Confident	12 Å²	12	51.9 Å²	51.9	12%	0.124	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	21.2	-179.1	0	0	0	0	0	114.9	C829 D830 P835 K836	C829-G833 PolarHBondContact O-N 3.4Å; D830-G833 PolarHBondContact O-N 3.03Å; G833-P835 VanDerWaalsContact C-N 3.31Å; G833-K836 PolarHBondContact O-N 3.34Å
834	I	91.4	Very high	82.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-50	-40.9	177	-62.9	175	0	0	0	113.2	F748 F766 C829 I832 K836 F837 V838 L860 V861	F748-I834 HydrophobicContact CE2-CG1 3.83Å; F748-I834 HydrophobicContact CZ-CG1 3.98Å; F766-I834 HydrophobicContact CD1-CG2 4.01Å; F766-I834 HydrophobicContact CE1-CG2 3.53Å; F766-I834 HydrophobicContact CE2-CG2 4.49Å; F766-I834 HydrophobicContact CZ-CG1 4.33Å; F766-I834 HydrophobicContact CZ-CG2 3.83Å; C829-I834 PolarHBondContact O-N 3.13Å; C829-I834 VanDerWaalsContact O-N 3.16Å; I832-I834 HydrophobicContact CB-CG1 4.28Å; I832-I834 HydrophobicContact CG2-CD1 4.48Å; I832-I834 HydrophobicContact CG2-CG1 3.89Å; I834-K836 PolarHBondContact O-N 3.29Å; I834-F837 PolarHBondContact O-N 3.24Å; I834-V838 HydrophobicContact CG2-CG2 4.22Å; I834-L860 HydrophobicContact CG2-CB 4.21Å; I834-L860 HydrophobicContact CG2-CD1 4.31Å; I834-V861 HydrophobicContact CD1-CG2 3.96Å
835	P	88.6	Confident	80	Confident	45 Å²	45	58.1 Å²	58.1	29%	0.292	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-54.2	-23	-176.5	-30.7	37.9	0	0	0	115.7	C829 G833 F837 L852	C829-P835 WeakPolarHBondContact O-CD 3.32Å; G833-P835 VanDerWaalsContact C-N 3.31Å; P835-F837 VanDerWaalsContact C-N 3.3Å; P835-F837 PolarHBondContact O-N 3.4Å; P835-L852 HydrophobicContact CB-CD1 3.91Å; P835-L852 HydrophobicContact CG-CD1 4.14Å
836	K	87.2	Confident	77.7	Confident	168 Å²	168	64 Å²	64	73%	0.73	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-71.8	-23.3	177.7	-62.3	177.6	-177	173.6	0	113.6	G833 I834	G833-K836 PolarHBondContact O-N 3.34Å; I834-K836 PolarHBondContact O-N 3.29Å
837	F	89.1	Confident	75.6	Confident	16 Å²	16	71.2 Å²	71.2	7%	0.07	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-105.7	1.6	-173.3	-57.2	-76.8	0	0	0	112.8	N744 L745 E747 F748 F766 I834 P835	N744-F837 WeakPolarHBondContact O-CD1 3.37Å; N744-F837 WeakPolarHBondContact O-CE1 3.41Å; L745-F837 HydrophobicContact CD2-CB 4.14Å; E747-F837 HydrophobicContact CB-CE1 4.16Å; E747-F837 HydrophobicContact CG-CE1 4.47Å; F748-F837 HydrophobicContact CB-CD1 3.81Å; F748-F837 HydrophobicContact CB-CD2 3.92Å; F748-F837 HydrophobicContact CB-CE1 3.79Å; F748-F837 HydrophobicContact CB-CE2 3.89Å; F748-F837 HydrophobicContact CB-CG 3.87Å; F748-F837 HydrophobicContact CB-CZ 3.81Å; F748-F837 AromaticContact CD2-CD2 3.4Å; F748-F837 HydrophobicContact CD2-CD2 3.4Å; F748-F837 AromaticContact CD2-CE2 3.51Å; F748-F837 HydrophobicContact CD2-CE2 3.51Å; F748-F837 HydrophobicContact CD2-CG 4.09Å; F748-F837 HydrophobicContact CD2-CZ 4.26Å; F748-F837 HydrophobicContact CE2-CD2 4.22Å; F748-F837 HydrophobicContact CE2-CE2 4.49Å; F748-F837 HydrophobicContact CG-CD2 4Å; F748-F837 HydrophobicContact CG-CE2 4.17Å; F748-F837 HydrophobicContact CG-CG 4.26Å; F766-F837 HydrophobicContact CD2-CB 3.96Å; F766-F837 HydrophobicContact CE2-CB 4.01Å; I834-F837 PolarHBondContact O-N 3.24Å; P835-F837 VanDerWaalsContact C-N 3.3Å; P835-F837 PolarHBondContact O-N 3.4Å
838	V	85.5	Confident	73.3	Confident	17 Å²	17	74 Å²	74	10%	0.103	41%	0.414	C	S	.	.	S	Bend	trans	-78	129	178.2	179.5	0	0	0	0	109.2	R768 I834 P840 L852 L860	R768-V838 HydrophobicContact CG-CG1 4.02Å; I834-V838 HydrophobicContact CG2-CG2 4.22Å; V838-P840 VanDerWaalsContact O-CD 3.29Å; V838-P840 WeakPolarHBondContact O-CD 3.47Å; V838-P840 VanDerWaalsContact O-N 3.13Å; V838-L852 HydrophobicContact CG2-CD1 4.32Å; V838-L860 HydrophobicContact CG2-CD1 3.57Å; V838-L860 HydrophobicContact CG2-CD2 3.98Å; V838-L860 HydrophobicContact CG2-CG 4.45Å
839	N	69.5	Low	71.4	Confident	26 Å²	26	81.5 Å²	81.5	14%	0.139	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-60.6	116.1	175.8	-71.8	-28.4	0	0	0	109.8	I741 T767	I741-N839 WeakPolarHBondContact CG2-OD1 3.46Å; T767-N839 PolarHBondContact OG1-ND2 3.06Å
840	P	64.3	Low	69.7	Low	102 Å²	102	87.4 Å²	87.4	66%	0.662	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-66.6	140.2	177.8	27.2	-32.3	0	0	0	108.9	V838	V838-P840 VanDerWaalsContact O-CD 3.29Å; V838-P840 WeakPolarHBondContact O-CD 3.47Å; V838-P840 VanDerWaalsContact O-N 3.13Å
841	P	61.1	Low	68.8	Low	22 Å²	22	90.2 Å²	90.2	14%	0.143	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-62.6	149.9	168.1	23.3	-24.7	0	0	0	109	P843 Y850	P841-P843 WeakPolarHBondContact O-CD 3.41Å; P841-Y850 HydrophobicContact CG-CD2 4.39Å; P841-Y850 HydrophobicContact CG-CE1 4.22Å; P841-Y850 HydrophobicContact CG-CE2 3.45Å; P841-Y850 VanDerWaalsContact CG-CE2 3.45Å; P841-Y850 WeakPolarHBondContact CG-OH 3.46Å
842	V	58	Low	68.4	Low	132 Å²	132	86.2 Å²	86.2	80%	0.8	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-46.7	117.4	177	-178	0	0	0	0	108.7	I844	V842-I844 PolarHBondContact O-N 3.22Å
843	P	52.9	Low	68.2	Low	107 Å²	107	92.6 Å²	92.6	70%	0.695	49%	0.492	S	S	*	.			trans	-65.7	112.8	-171.1	15.7	-22.4	0	0	0	109.9	P841 L845	P841-P843 WeakPolarHBondContact O-CD 3.41Å; P843-L845 VanDerWaalsContact C-N 3.26Å
844	I	52.4	Low	68.2	Low	165 Å²	165	95.5 Å²	95.5	85%	0.846	51%	0.508	S	S	*	.	S	Bend	trans	-74.3	-23.8	173.4	-53.4	174	0	0	0	110.1	V842	V842-I844 PolarHBondContact O-N 3.22Å
845	L	44.6	Very low	68.1	Low	123 Å²	123	100.8 Å²	100.8	64%	0.644	53%	0.531	S	S	*	.	S	Bend	trans	-137.4	141.8	179.9	-69	170.9	0	0	0	111.7	P843 N847	P843-L845 VanDerWaalsContact C-N 3.26Å; L845-N847 VanDerWaalsContact C-N 3.28Å; L845-N847 PolarHBondContact O-N 2.96Å; L845-N847 VanDerWaalsContact O-N 3.1Å
846	P	46.9	Very low	68.3	Low	124 Å²	124	99.5 Å²	99.5	81%	0.805	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-0.2	-165.8	-16.3	31.6	0	0	0	116.8
847	N	48.6	Very low	68.6	Low	158 Å²	158	92.5 Å²	92.5	85%	0.845	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.4	24.5	-165.2	-94.5	-14.8	0	0	0	115	L845 N849	L845-N847 VanDerWaalsContact C-N 3.28Å; L845-N847 PolarHBondContact O-N 2.96Å; L845-N847 VanDerWaalsContact O-N 3.1Å; N847-N849 PolarHBondContact O-N 3.07Å
848	N	46	Very low	68.9	Low	125 Å²	125	91.8 Å²	91.8	67%	0.668	49%	0.488	S	S	*	.			trans	-88.9	106.5	-179.7	-143.8	18.2	0	0	0	110.5	Y850	N848-Y850 PolarHBondContact O-N 3.01Å
849	N	53.5	Low	69.3	Low	158 Å²	158	91.9 Å²	91.9	85%	0.845	49%	0.488	S	S	*	.			trans	-56.7	108.8	164.3	-87.7	-10.7	0	0	0	107.5	N847 D851	N847-N849 PolarHBondContact O-N 3.07Å; N849-D851 VanDerWaalsContact C-N 3.27Å; N849-D851 PolarHBondContact O-N 3.23Å
850	Y	59.2	Low	70.6	Confident	125 Å²	125	90.7 Å²	90.7	49%	0.49	48%	0.482	S	S	.	.			trans	-81.4	74.2	-171.5	-141.9	-77.4	0	0	0	109.6	R768 P841 N848 L852	R768-Y850 VanDerWaalsContact NH1-CE1 3.32Å; P841-Y850 HydrophobicContact CG-CD2 4.39Å; P841-Y850 HydrophobicContact CG-CE1 4.22Å; P841-Y850 HydrophobicContact CG-CE2 3.45Å; P841-Y850 VanDerWaalsContact CG-CE2 3.45Å; P841-Y850 WeakPolarHBondContact CG-OH 3.46Å; N848-Y850 PolarHBondContact O-N 3.01Å; Y850-L852 HydrophobicContact CD1-CD2 4.21Å; Y850-L852 HydrophobicContact CE1-CD2 4.43Å; Y850-L852 PolarHBondContact O-N 3.3Å
851	D	73.1	Confident	72.1	Confident	135 Å²	135	86 Å²	86	72%	0.722	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-74.7	117.5	176.5	-159.1	6	0	0	0	109.6	N849	N849-D851 VanDerWaalsContact C-N 3.27Å; N849-D851 PolarHBondContact O-N 3.23Å
852	L	82.8	Confident	73.8	Confident	15 Å²	15	85.7 Å²	85.7	8%	0.079	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-74	133.8	-179.5	-66.3	173.8	0	0	0	109.3	P835 V838 Y850 D856 K857 L860	P835-L852 HydrophobicContact CB-CD1 3.91Å; P835-L852 HydrophobicContact CG-CD1 4.14Å; V838-L852 HydrophobicContact CG2-CD1 4.32Å; Y850-L852 HydrophobicContact CD1-CD2 4.21Å; Y850-L852 HydrophobicContact CE1-CD2 4.43Å; Y850-L852 PolarHBondContact O-N 3.3Å; L852-D856 HydrophobicContact CB-CB 4.46Å; L852-D856 HydrophobicContact CD2-CB 4.48Å; L852-K857 HydrophobicContact CB-CD 4.44Å; L852-K857 HydrophobicContact CB-CG 3.73Å; L852-K857 HydrophobicContact CD1-CG 4.45Å; L852-K857 VanDerWaalsContact O-CE 3.26Å; L852-K857 WeakPolarHBondContact O-CE 3.3Å; L852-L860 HydrophobicContact CD1-CD1 3.8Å
853	R	87.2	Confident	75.6	Confident	169 Å²	169	79.4 Å²	79.4	64%	0.638	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-67.2	156.8	176.3	-56.4	171.6	-65.8	178.8	2.1	109.6	K855 D856 K857	R853-K855 PolarHBondContact O-N 2.8Å; R853-K855 VanDerWaalsContact O-N 3.12Å; R853-D856 VanDerWaalsContact CB-OD2 3.28Å; R853-D856 WeakPolarHBondContact CB-OD2 3.48Å; R853-D856 IonicContact CZ-OD2 3.17Å; R853-D856 PolarHBondContact N-OD2 2.74Å; R853-D856 IonicContact NE-OD2 3.7Å; R853-D856 PolarHBondContact NE-OD2 3.23Å; R853-D856 IonicContact NH2-OD1 3.31Å; R853-D856 PolarHBondContact NH2-OD1 3.16Å; R853-D856 IonicContact NH2-OD2 3.78Å; R853-D856 PolarHBondContact NH2-OD2 3.28Å; R853-D856 PolarHBondContact O-N 2.95Å; R853-K857 PolarHBondContact O-N 3.01Å
854	T	89.5	Confident	77.7	Confident	73 Å²	73	74.3 Å²	74.3	45%	0.448	38%	0.377	S	S	.	.	H	α-helix	trans	-51.1	-37.6	176.5	-56	0	0	0	0	113.4	N822 K823 A826 A858	N822-T854 HydrophobicContact CB-CG2 4.31Å; N822-T854 WeakPolarHBondContact O-CG2 3.35Å; K823-T854 HydrophobicContact CG-CG2 4.48Å; A826-T854 HydrophobicContact CB-CG2 3.75Å; T854-A858 PolarHBondContact O-N 3.39Å
855	K	91	Very high	79.8	Confident	112 Å²	112	66.5 Å²	66.5	49%	0.487	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-53.9	175.1	-173.5	-177.3	173.8	-173.4	0	110.9	R853 K857 A858 D859	R853-K855 PolarHBondContact O-N 2.8Å; R853-K855 VanDerWaalsContact O-N 3.12Å; K855-K857 PolarHBondContact O-N 3.38Å; K855-K857 VanDerWaalsContact O-N 3.09Å; K855-A858 WeakPolarHBondContact O-CA 3.4Å; K855-A858 WeakPolarHBondContact O-CB 3.45Å; K855-A858 PolarHBondContact O-N 2.9Å; K855-D859 WeakPolarHBondContact CE-OD1 3.35Å; K855-D859 WeakPolarHBondContact CE-OD2 3.4Å; K855-D859 WeakPolarHBondContact CG-OD1 3.48Å; K855-D859 PolarHBondContact O-N 3.11Å
856	D	91.4	Very high	82.3	Confident	17 Å²	17	60.7 Å²	60.7	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-55.6	-35.3	-178.9	-58.6	-75.7	0	0	0	112.1	R768 L852 R853 L860	R768-D856 IonicContact CZ-OD1 3.89Å; R768-D856 IonicContact NE-OD1 2.85Å; R768-D856 VanDerWaalsContact NH2-CG 3.35Å; R768-D856 IonicContact NH2-OD1 3.23Å; R768-D856 PolarHBondContact NH2-OD1 2.93Å; R768-D856 IonicContact NH2-OD2 3.42Å; L852-D856 HydrophobicContact CB-CB 4.46Å; L852-D856 HydrophobicContact CD2-CB 4.48Å; R853-D856 VanDerWaalsContact CB-OD2 3.28Å; R853-D856 WeakPolarHBondContact CB-OD2 3.48Å; R853-D856 IonicContact CZ-OD2 3.17Å; R853-D856 PolarHBondContact N-OD2 2.74Å; R853-D856 IonicContact NE-OD2 3.7Å; R853-D856 PolarHBondContact NE-OD2 3.23Å; R853-D856 IonicContact NH2-OD1 3.31Å; R853-D856 PolarHBondContact NH2-OD1 3.16Å; R853-D856 IonicContact NH2-OD2 3.78Å; R853-D856 PolarHBondContact NH2-OD2 3.28Å; R853-D856 PolarHBondContact O-N 2.95Å; D856-L860 WeakPolarHBondContact O-CD1 3.42Å; D856-L860 VanDerWaalsContact O-CG 3.24Å; D856-L860 WeakPolarHBondContact O-CG 3.48Å; D856-L860 PolarHBondContact O-N 3.38Å
857	K	94	Very high	84.6	Confident	22 Å²	22	54.8 Å²	54.8	10%	0.096	27%	0.267	C	S	.	.	H	α-helix	trans	-68.2	-36.5	175.1	-68.3	-174.8	-177.7	-175.8	0	113.5	A826 C829 D830 L852 R853 K855 V861	A826-K857 HydrophobicContact CB-CB 3.8Å; A826-K857 HydrophobicContact CB-CD 4.19Å; C829-K857 HydrophobicContact CB-CB 3.89Å; C829-K857 WeakPolarHBondContact CB-O 3.49Å; C829-K857 PolarHBondContact SG-O 2.94Å; D830-K857 WeakPolarHBondContact OD1-CD 3.3Å; D830-K857 VanDerWaalsContact OD1-CE 3.25Å; D830-K857 WeakPolarHBondContact OD1-CE 3.29Å; D830-K857 IonicContact OD1-NZ 3.47Å; D830-K857 PolarHBondContact OD1-NZ 2.96Å; D830-K857 IonicContact OD2-NZ 3.44Å; D830-K857 PolarHBondContact OD2-NZ 2.85Å; L852-K857 HydrophobicContact CB-CD 4.44Å; L852-K857 HydrophobicContact CB-CG 3.73Å; L852-K857 HydrophobicContact CD1-CG 4.45Å; L852-K857 VanDerWaalsContact O-CE 3.26Å; L852-K857 WeakPolarHBondContact O-CE 3.3Å; R853-K857 PolarHBondContact O-N 3.01Å; K855-K857 PolarHBondContact O-N 3.38Å; K855-K857 VanDerWaalsContact O-N 3.09Å; K857-V861 PolarHBondContact O-N 3.29Å
858	A	94.6	Very high	86.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.6	-49.7	175.7	0	0	0	0	0	110.6	N822 Q825 T854 K855 L860 V861 E862	N822-A858 HydrophobicContact CB-CB 4.05Å; Q825-A858 HydrophobicContact CB-CB 3.77Å; Q825-A858 PolarHBondContact OE1-O 3.08Å; Q825-A858 VanDerWaalsContact OE1-O 3.12Å; T854-A858 PolarHBondContact O-N 3.39Å; K855-A858 WeakPolarHBondContact O-CA 3.4Å; K855-A858 WeakPolarHBondContact O-CB 3.45Å; K855-A858 PolarHBondContact O-N 2.9Å; A858-L860 PolarHBondContact O-N 3.12Å; A858-L860 VanDerWaalsContact O-N 3.08Å; A858-V861 WeakPolarHBondContact O-CA 3.48Å; A858-V861 WeakPolarHBondContact O-CB 3.36Å; A858-V861 PolarHBondContact O-N 2.93Å; A858-E862 PolarHBondContact O-N 2.83Å
859	D	95.4	Very high	89.3	Confident	20 Å²	20	42.3 Å²	42.3	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-54	-35.3	177.9	-54.2	-3	0	0	0	111.3	E785 K855 S863	E785-D859 HydrophobicContact CG-CB 4.12Å; K855-D859 WeakPolarHBondContact CE-OD1 3.35Å; K855-D859 WeakPolarHBondContact CE-OD2 3.4Å; K855-D859 WeakPolarHBondContact CG-OD1 3.48Å; K855-D859 PolarHBondContact O-N 3.11Å; D859-S863 WeakPolarHBondContact O-CB 3.37Å; D859-S863 PolarHBondContact O-N 3.17Å; D859-S863 PolarHBondContact O-OG 3.12Å
860	L	95.4	Very high	91.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-69	-37.5	174.7	-75.3	166.9	0	0	0	113.9	F766 I834 V838 L852 D856 A858 F864	F766-L860 HydrophobicContact CD1-CD2 4.12Å; I834-L860 HydrophobicContact CG2-CB 4.21Å; I834-L860 HydrophobicContact CG2-CD1 4.31Å; V838-L860 HydrophobicContact CG2-CD1 3.57Å; V838-L860 HydrophobicContact CG2-CD2 3.98Å; V838-L860 HydrophobicContact CG2-CG 4.45Å; L852-L860 HydrophobicContact CD1-CD1 3.8Å; D856-L860 WeakPolarHBondContact O-CD1 3.42Å; D856-L860 VanDerWaalsContact O-CG 3.24Å; D856-L860 WeakPolarHBondContact O-CG 3.48Å; D856-L860 PolarHBondContact O-N 3.38Å; A858-L860 PolarHBondContact O-N 3.12Å; A858-L860 VanDerWaalsContact O-N 3.08Å; L860-F864 VanDerWaalsContact O-CB 3.3Å; L860-F864 WeakPolarHBondContact O-CB 3.4Å; L860-F864 PolarHBondContact O-N 3.33Å
861	V	96.2	Very high	93	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-69.8	-43.6	177.1	171.8	0	0	0	0	110.4	Q825 I828 C829 I834 K857 A858 F864 L865 F885	Q825-V861 HydrophobicContact CB-CB 4.47Å; I828-V861 HydrophobicContact CG2-CG1 4.48Å; C829-V861 HydrophobicContact CB-CG2 3.58Å; I834-V861 HydrophobicContact CD1-CG2 3.96Å; K857-V861 PolarHBondContact O-N 3.29Å; A858-V861 WeakPolarHBondContact O-CA 3.48Å; A858-V861 WeakPolarHBondContact O-CB 3.36Å; A858-V861 PolarHBondContact O-N 2.93Å; V861-F864 PolarHBondContact O-N 2.91Å; V861-L865 PolarHBondContact O-N 3.14Å; V861-F885 HydrophobicContact CG1-CE2 4.33Å; V861-F885 HydrophobicContact CG1-CZ 3.97Å
862	E	96.9	Very high	94	Very high	17 Å²	17	25.6 Å²	25.6	8%	0.079	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-48.8	172.9	-76.4	162.8	-179	0	0	110.4	E785 G788 D789 Q825 A858 F864 L865 G866	E785-E862 HydrophobicContact CG-CB 4.3Å; G788-E862 VanDerWaalsContact CA-O 3.32Å; G788-E862 WeakPolarHBondContact CA-O 3.34Å; D789-E862 HydrophobicContact CB-CG 4.4Å; Q825-E862 PolarHBondContact NE2-OE1 2.82Å; Q825-E862 PolarHBondContact OE1-OE1 3.18Å; A858-E862 PolarHBondContact O-N 2.83Å; E862-F864 VanDerWaalsContact C-N 3.29Å; E862-F864 PolarHBondContact O-N 3.39Å; E862-L865 CarbonylContact O-C 3.54Å; E862-L865 WeakPolarHBondContact O-CB 3.43Å; E862-L865 PolarHBondContact O-N 3.3Å; E862-G866 PolarHBondContact O-N 3.19Å
863	S	96.7	Very high	94.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-40.5	176.9	-62.6	0	0	0	0	113	A765 N781 E785 D859 G866 A867	A765-S863 WeakPolarHBondContact CB-O 3.41Å; A765-S863 WeakPolarHBondContact O-CB 3.35Å; N781-S863 WeakPolarHBondContact CB-OG 3.13Å; N781-S863 PolarHBondContact ND2-OG 3.38Å; N781-S863 VanDerWaalsContact ND2-OG 3.13Å; N781-S863 PolarHBondContact O-OG 2.91Å; E785-S863 PolarHBondContact N-OG 2.92Å; D859-S863 WeakPolarHBondContact O-CB 3.37Å; D859-S863 PolarHBondContact O-N 3.17Å; D859-S863 PolarHBondContact O-OG 3.12Å; S863-G866 PolarHBondContact O-N 3.2Å; S863-A867 PolarHBondContact O-N 3.31Å
864	F	96.5	Very high	94.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.5	-45.2	174.4	171.2	-110	0	0	0	111.5	F748 I752 F756 L762 F766 L860 V861 E862 G866 A867 L868 F880	F748-F864 HydrophobicContact CE1-CD2 4.01Å; F748-F864 AromaticContact CE1-CE2 3.65Å; F748-F864 HydrophobicContact CE1-CE2 3.65Å; F748-F864 HydrophobicContact CE1-CZ 4.27Å; F748-F864 HydrophobicContact CZ-CD2 4.32Å; F748-F864 HydrophobicContact CZ-CE2 4.16Å; I752-F864 HydrophobicContact CD1-CE1 3.99Å; I752-F864 HydrophobicContact CD1-CE2 4.13Å; I752-F864 HydrophobicContact CD1-CZ 3.55Å; I752-F864 HydrophobicContact CG2-CZ 4.43Å; F756-F864 HydrophobicContact CE2-CE2 4.07Å; F756-F864 AromaticContact CZ-CE2 3.95Å; F756-F864 HydrophobicContact CZ-CE2 3.95Å; L762-F864 HydrophobicContact CD1-CD2 3.7Å; L762-F864 HydrophobicContact CD1-CE2 3.95Å; F766-F864 HydrophobicContact CE1-CB 4.09Å; F766-F864 HydrophobicContact CE1-CD2 4.41Å; F766-F864 HydrophobicContact CZ-CD2 4.22Å; L860-F864 VanDerWaalsContact O-CB 3.3Å; L860-F864 WeakPolarHBondContact O-CB 3.4Å; L860-F864 PolarHBondContact O-N 3.33Å; V861-F864 PolarHBondContact O-N 2.91Å; E862-F864 VanDerWaalsContact C-N 3.29Å; E862-F864 PolarHBondContact O-N 3.39Å; F864-G866 VanDerWaalsContact C-N 3.3Å; F864-G866 PolarHBondContact O-N 3.39Å; F864-A867 PolarHBondContact O-N 3.02Å; F864-L868 HydrophobicContact CE1-CD2 4.47Å; F864-L868 WeakPolarHBondContact O-CB 3.32Å; F864-L868 PolarHBondContact O-N 2.71Å; F864-F880 HydrophobicContact CD1-CE1 4.43Å; F864-F880 HydrophobicContact CD1-CE2 4.29Å; F864-F880 HydrophobicContact CD1-CZ 4.02Å; F864-F880 HydrophobicContact CE1-CD2 4.04Å; F864-F880 HydrophobicContact CE1-CE1 4.43Å; F864-F880 AromaticContact CE1-CE2 3.68Å; F864-F880 HydrophobicContact CE1-CE2 3.68Å; F864-F880 AromaticContact CE1-CZ 3.89Å; F864-F880 HydrophobicContact CE1-CZ 3.89Å
865	L	96.2	Very high	94.8	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-37.5	177	-164.7	67.4	0	0	0	111.7	V791 L792 V861 E862 L868 F869 C877 F880	V791-L865 HydrophobicContact CB-CD2 4.23Å; V791-L865 HydrophobicContact CB-CG 4.46Å; V791-L865 HydrophobicContact CG1-CD2 3.93Å; V791-L865 HydrophobicContact CG1-CG 3.99Å; L792-L865 HydrophobicContact CB-CD2 3.68Å; L792-L865 HydrophobicContact CD1-CD2 4.32Å; L792-L865 HydrophobicContact CG-CD2 4.5Å; V861-L865 PolarHBondContact O-N 3.14Å; E862-L865 CarbonylContact O-C 3.54Å; E862-L865 WeakPolarHBondContact O-CB 3.43Å; E862-L865 PolarHBondContact O-N 3.3Å; L865-L868 HydrophobicContact CD1-CD2 4.45Å; L865-L868 PolarHBondContact O-N 3.43Å; L865-F869 WeakPolarHBondContact O-CB 3.49Å; L865-F869 PolarHBondContact O-N 3.16Å; L865-C877 HydrophobicContact CD1-CB 3.71Å; L865-C877 HydrophobicContact CG-CB 4.39Å; L865-F880 HydrophobicContact CD1-CD1 3.79Å; L865-F880 HydrophobicContact CD1-CE1 4.4Å
866	G	96.6	Very high	94.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.5	-45.6	173.1	0	0	0	0	0	112.3	E862 S863 F864 F869 V870	E862-G866 PolarHBondContact O-N 3.19Å; S863-G866 PolarHBondContact O-N 3.2Å; F864-G866 VanDerWaalsContact C-N 3.3Å; F864-G866 PolarHBondContact O-N 3.39Å; G866-F869 PolarHBondContact O-N 3.18Å; G866-V870 VanDerWaalsContact O-CG2 3.29Å; G866-V870 WeakPolarHBondContact O-CG2 3.49Å; G866-V870 PolarHBondContact O-N 3.21Å; G866-V870 VanDerWaalsContact O-N 3.08Å
867	A	96.6	Very high	95.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.1	-41	174.6	0	0	0	0	0	112.5	F756 L761 A765 M784 S863 F864 F869 V870 D871	F756-A867 HydrophobicContact CE1-CB 4.23Å; L761-A867 HydrophobicContact CB-CB 4.25Å; A765-A867 HydrophobicContact CB-CB 3.81Å; M784-A867 HydrophobicContact CE-CB 4.17Å; M784-A867 HydrophobicContact SD-CB 4.18Å; S863-A867 PolarHBondContact O-N 3.31Å; F864-A867 PolarHBondContact O-N 3.02Å; A867-F869 VanDerWaalsContact C-N 3.31Å; A867-F869 PolarHBondContact O-N 2.95Å; A867-V870 PolarHBondContact O-N 2.97Å; A867-D871 PolarHBondContact O-N 2.96Å
868	L	96.3	Very high	95.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.6	-41.1	176.5	-177.8	62	0	0	0	111.4	I754 F756 F864 L865 D871 K872 F880	I754-L868 HydrophobicContact CD1-CD1 4.11Å; I754-L868 HydrophobicContact CD1-CD2 4.32Å; I754-L868 HydrophobicContact CG2-CD1 3.91Å; F756-L868 HydrophobicContact CZ-CB 4.28Å; F756-L868 HydrophobicContact CZ-CD1 4.11Å; F864-L868 HydrophobicContact CE1-CD2 4.47Å; F864-L868 WeakPolarHBondContact O-CB 3.32Å; F864-L868 PolarHBondContact O-N 2.71Å; L865-L868 HydrophobicContact CD1-CD2 4.45Å; L865-L868 PolarHBondContact O-N 3.43Å; L868-D871 PolarHBondContact O-N 3.18Å; L868-K872 HydrophobicContact CD1-CB 4.13Å; L868-K872 HydrophobicContact CD1-CG 3.97Å; L868-K872 WeakPolarHBondContact O-CB 3.42Å; L868-K872 PolarHBondContact O-N 3.36Å; L868-F880 HydrophobicContact CD2-CB 4.31Å
869	F	96.4	Very high	95	Very high	21 Å²	21	22.7 Å²	22.7	9%	0.092	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-45.3	175.6	176.2	-101.6	0	0	0	111.9	F613 I617 L787 V791 L865 G866 A867 D871 G873 L874	F613-F869 AromaticContact CE2-CE2 3.99Å; F613-F869 HydrophobicContact CE2-CE2 3.99Å; F613-F869 HydrophobicContact CE2-CZ 4.06Å; F613-F869 AromaticContact CZ-CE2 3.75Å; F613-F869 HydrophobicContact CZ-CE2 3.75Å; F613-F869 AromaticContact CZ-CZ 3.76Å; F613-F869 HydrophobicContact CZ-CZ 3.76Å; I617-F869 HydrophobicContact CD1-CE1 3.78Å; I617-F869 HydrophobicContact CD1-CZ 3.49Å; I617-F869 VanDerWaalsContact CD1-CZ 3.49Å; I617-F869 HydrophobicContact CG1-CE1 3.92Å; I617-F869 HydrophobicContact CG1-CZ 4.16Å; L787-F869 HydrophobicContact CD1-CD1 4.26Å; L787-F869 HydrophobicContact CD1-CE1 4.34Å; L787-F869 HydrophobicContact CD2-CD1 4.03Å; L787-F869 HydrophobicContact CG-CD1 4.29Å; V791-F869 HydrophobicContact CG2-CB 4.03Å; V791-F869 HydrophobicContact CG2-CD1 4.18Å; V791-F869 HydrophobicContact CG2-CD2 4.05Å; V791-F869 HydrophobicContact CG2-CG 3.8Å; L865-F869 WeakPolarHBondContact O-CB 3.49Å; L865-F869 PolarHBondContact O-N 3.16Å; G866-F869 PolarHBondContact O-N 3.18Å; A867-F869 VanDerWaalsContact C-N 3.31Å; A867-F869 PolarHBondContact O-N 2.95Å; F869-D871 PolarHBondContact O-N 3.24Å; F869-G873 VanDerWaalsContact O-CA 3.26Å; F869-G873 WeakPolarHBondContact O-CA 3.21Å; F869-G873 PolarHBondContact O-N 3.45Å; F869-L874 HydrophobicContact CD2-CB 4.48Å; F869-L874 HydrophobicContact CD2-CD1 4.34Å; F869-L874 HydrophobicContact CE2-CB 4.27Å; F869-L874 HydrophobicContact CE2-CD1 4.32Å
870	V	95.6	Very high	95	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.055	11%	0.11	C	C	.	.	H	α-helix	trans	-67.1	-33.4	-179.6	175	0	0	0	0	112.4	Y620 H722 Q725 L761 L787 G866 A867	Y620-V870 HydrophobicContact CE1-CG2 4Å; H722-V870 HydrophobicContact CB-CG1 4.06Å; Q725-V870 PolarHBondContact NE2-O 3.19Å; L761-V870 HydrophobicContact CD1-CB 4.3Å; L761-V870 HydrophobicContact CD1-CG1 3.79Å; L761-V870 HydrophobicContact CD2-CG1 4.01Å; L787-V870 HydrophobicContact CD2-CG2 3.56Å; G866-V870 VanDerWaalsContact O-CG2 3.29Å; G866-V870 WeakPolarHBondContact O-CG2 3.49Å; G866-V870 PolarHBondContact O-N 3.21Å; G866-V870 VanDerWaalsContact O-N 3.08Å; A867-V870 PolarHBondContact O-N 2.97Å
871	D	95.1	Very high	94.9	Very high	19 Å²	19	22.4 Å²	22.4	10%	0.102	11%	0.11	C	C	.	.	H	α-helix	trans	-86.8	-42.4	-179.3	-168.4	84.1	0	0	0	113.8	F756 T757 H758 L761 A867 L868 F869	F756-D871 VanDerWaalsContact CA-OD2 3.27Å; F756-D871 WeakPolarHBondContact CA-OD2 3.37Å; F756-D871 HydrophobicContact CD1-CB 3.57Å; F756-D871 HydrophobicContact CE1-CB 3.88Å; T757-D871 WeakPolarHBondContact CB-OD1 3.26Å; T757-D871 VanDerWaalsContact N-CG 3.34Å; T757-D871 PolarHBondContact N-OD1 2.63Å; T757-D871 PolarHBondContact N-OD2 3.18Å; H758-D871 PolarHBondContact N-OD1 3.03Å; H758-D871 IonicContact ND1-OD1 2.67Å; L761-D871 HydrophobicContact CD1-CB 3.89Å; A867-D871 PolarHBondContact O-N 2.96Å; L868-D871 PolarHBondContact O-N 3.18Å; F869-D871 PolarHBondContact O-N 3.24Å
872	K	93.4	Very high	94.6	Very high	39 Å²	39	27 Å²	27	17%	0.17	13%	0.131	C	C	.	.	H	α-helix	trans	-120.7	-12.8	-168.6	-61.1	-55.6	-172.4	-154	0	115.4	I754 K755 T757 L868 Y876	I754-K872 HydrophobicContact CG2-CG 4.4Å; K755-K872 WeakPolarHBondContact O-CE 3.43Å; K755-K872 PolarHBondContact O-NZ 2.92Å; T757-K872 PolarHBondContact OG1-NZ 3.11Å; L868-K872 HydrophobicContact CD1-CB 4.13Å; L868-K872 HydrophobicContact CD1-CG 3.97Å; L868-K872 WeakPolarHBondContact O-CB 3.42Å; L868-K872 PolarHBondContact O-N 3.36Å; K872-Y876 HydrophobicContact CB-CD1 4.36Å; K872-Y876 HydrophobicContact CB-CD2 3.59Å; K872-Y876 HydrophobicContact CB-CE2 4.16Å; K872-Y876 HydrophobicContact CB-CG 3.7Å; K872-Y876 HydrophobicContact CG-CD1 4.44Å; K872-Y876 HydrophobicContact CG-CD2 4.36Å; K872-Y876 HydrophobicContact CG-CG 4.26Å
873	G	92.2	Very high	94.3	Very high	22 Å²	22	30.9 Å²	30.9	23%	0.227	15%	0.152	C	C	.	.			trans	83.2	-173.2	-178.8	0	0	0	0	0	115.3	F869 E875	F869-G873 VanDerWaalsContact O-CA 3.26Å; F869-G873 WeakPolarHBondContact O-CA 3.21Å; F869-G873 PolarHBondContact O-N 3.45Å; G873-E875 PolarHBondContact O-N 2.9Å
874	L	91.8	Very high	94.1	Very high	28 Å²	28	32.3 Å²	32.3	15%	0.147	16%	0.162	C	C	.	.	H	α-helix	trans	-71	-30	-165.7	-168.3	65.7	0	0	0	114.3	F613 V791 L794 I795 F869 C877 K878	F613-L874 HydrophobicContact CE2-CD1 4.33Å; F613-L874 HydrophobicContact CZ-CD1 4.34Å; V791-L874 HydrophobicContact CG1-CD1 4.16Å; L794-L874 HydrophobicContact CD2-CD2 4.43Å; I795-L874 HydrophobicContact CD1-CD1 3.97Å; I795-L874 HydrophobicContact CG1-CD1 4Å; F869-L874 HydrophobicContact CD2-CB 4.48Å; F869-L874 HydrophobicContact CD2-CD1 4.34Å; F869-L874 HydrophobicContact CE2-CB 4.27Å; F869-L874 HydrophobicContact CE2-CD1 4.32Å; L874-C877 WeakPolarHBondContact O-CB 3.08Å; L874-C877 PolarHBondContact O-N 3.4Å; L874-K878 HydrophobicContact CG-CD 4.5Å; L874-K878 HydrophobicContact CG-CG 4.43Å; L874-K878 WeakPolarHBondContact O-CG 3.11Å; L874-K878 PolarHBondContact O-N 3.15Å
875	E	92.6	Very high	93.8	Very high	113 Å²	113	32.3 Å²	32.3	53%	0.528	16%	0.162	S	C	.	.	H	α-helix	trans	-66.7	-39.7	-175.8	-65.5	-53.7	126.3	0	0	112.5	G873 K878 L879	G873-E875 PolarHBondContact O-N 2.9Å; E875-K878 WeakPolarHBondContact O-CB 3.39Å; E875-K878 PolarHBondContact O-N 3.49Å; E875-K878 IonicContact OE1-NZ 3.79Å; E875-K878 PolarHBondContact OE1-NZ 3.31Å; E875-K878 IonicContact OE2-NZ 3.65Å; E875-L879 PolarHBondContact O-N 3.47Å
876	Y	93.7	Very high	93.5	Very high	80 Å²	80	33.1 Å²	33.1	31%	0.314	17%	0.166	S	C	.	.	H	α-helix	trans	-65.4	-39.8	173.7	-78.9	-98.7	0	0	0	111.6	I754 K872 K878 L879 F880	I754-Y876 HydrophobicContact CD1-CD1 4.14Å; I754-Y876 HydrophobicContact CG1-CD1 4.28Å; I754-Y876 HydrophobicContact CG2-CD1 4.26Å; I754-Y876 HydrophobicContact CG2-CE1 4.44Å; K872-Y876 HydrophobicContact CB-CD1 4.36Å; K872-Y876 HydrophobicContact CB-CD2 3.59Å; K872-Y876 HydrophobicContact CB-CE2 4.16Å; K872-Y876 HydrophobicContact CB-CG 3.7Å; K872-Y876 HydrophobicContact CG-CD1 4.44Å; K872-Y876 HydrophobicContact CG-CD2 4.36Å; K872-Y876 HydrophobicContact CG-CG 4.26Å; Y876-K878 PolarHBondContact O-N 2.88Å; Y876-L879 PolarHBondContact O-N 3.37Å; Y876-F880 WeakPolarHBondContact O-CB 3.33Å; Y876-F880 PolarHBondContact O-N 2.83Å
877	C	95	Very high	93.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-40.5	174.2	-63.7	0	0	0	0	111.9	V791 I795 L865 L874 F880 C881	V791-C877 HydrophobicContact CG1-CB 3.84Å; I795-C877 HydrophobicContact CD1-CB 3.58Å; L865-C877 HydrophobicContact CD1-CB 3.71Å; L865-C877 HydrophobicContact CG-CB 4.39Å; L874-C877 WeakPolarHBondContact O-CB 3.08Å; L874-C877 PolarHBondContact O-N 3.4Å; C877-F880 PolarHBondContact O-N 3.17Å; C877-C881 WeakPolarHBondContact O-CB 3.5Å; C877-C881 PolarHBondContact O-N 3.35Å; C877-C881 PolarHBondContact O-SG 3.21Å
878	K	94.2	Very high	92.7	Very high	37 Å²	37	40 Å²	40	16%	0.161	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-47.3	175.4	-76.7	173.6	-177.2	166.2	0	111.1	I795 L874 E875 Y876 C881 Q882	I795-K878 HydrophobicContact CD1-CG 4.11Å; I795-K878 HydrophobicContact CG1-CG 3.92Å; I795-K878 HydrophobicContact CG2-CG 4.13Å; L874-K878 HydrophobicContact CG-CD 4.5Å; L874-K878 HydrophobicContact CG-CG 4.43Å; L874-K878 WeakPolarHBondContact O-CG 3.11Å; L874-K878 PolarHBondContact O-N 3.15Å; E875-K878 WeakPolarHBondContact O-CB 3.39Å; E875-K878 PolarHBondContact O-N 3.49Å; E875-K878 IonicContact OE1-NZ 3.79Å; E875-K878 PolarHBondContact OE1-NZ 3.31Å; E875-K878 IonicContact OE2-NZ 3.65Å; Y876-K878 PolarHBondContact O-N 2.88Å; K878-C881 PolarHBondContact O-N 3Å; K878-Q882 WeakPolarHBondContact O-CB 3.3Å; K878-Q882 VanDerWaalsContact O-CG 3.24Å; K878-Q882 WeakPolarHBondContact O-CG 3.35Å; K878-Q882 PolarHBondContact O-N 2.7Å
879	L	93.2	Very high	92.2	Very high	67 Å²	67	40.3 Å²	40.3	35%	0.351	20%	0.204	S	C	.	.	H	α-helix	trans	-59	-48.3	177.2	-179.6	61.9	0	0	0	111	E875 Y876 C881 Q882 L883 I1015	E875-L879 PolarHBondContact O-N 3.47Å; Y876-L879 PolarHBondContact O-N 3.37Å; L879-C881 VanDerWaalsContact C-N 3.34Å; L879-C881 PolarHBondContact O-N 3.2Å; L879-Q882 PolarHBondContact O-N 3.01Å; L879-L883 HydrophobicContact CD1-CD1 4.1Å; L879-L883 HydrophobicContact CD1-CG 4.37Å; L879-L883 HydrophobicContact CG-CD1 4.17Å; L879-L883 WeakPolarHBondContact O-CG 3.44Å; L879-L883 PolarHBondContact O-N 3.19Å; L879-L883 VanDerWaalsContact O-N 3.07Å; L879-I1015 HydrophobicContact CD2-CD1 4.36Å
880	F	93.6	Very high	91.6	Very high	16 Å²	16	45.8 Å²	45.8	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-56.8	-46.6	176.2	179.3	-100.1	0	0	0	112	I828 I832 F864 L865 L868 Y876 C877 Q882 L883 C884 F885	I828-F880 HydrophobicContact CG2-CZ 4.5Å; I832-F880 HydrophobicContact CD1-CE2 3.57Å; I832-F880 HydrophobicContact CD1-CZ 3.5Å; I832-F880 VanDerWaalsContact CD1-CZ 3.5Å; F864-F880 HydrophobicContact CD1-CE1 4.43Å; F864-F880 HydrophobicContact CD1-CE2 4.29Å; F864-F880 HydrophobicContact CD1-CZ 4.02Å; F864-F880 HydrophobicContact CE1-CD2 4.04Å; F864-F880 HydrophobicContact CE1-CE1 4.43Å; F864-F880 AromaticContact CE1-CE2 3.68Å; F864-F880 HydrophobicContact CE1-CE2 3.68Å; F864-F880 AromaticContact CE1-CZ 3.89Å; F864-F880 HydrophobicContact CE1-CZ 3.89Å; L865-F880 HydrophobicContact CD1-CD1 3.79Å; L865-F880 HydrophobicContact CD1-CE1 4.4Å; L868-F880 HydrophobicContact CD2-CB 4.31Å; Y876-F880 WeakPolarHBondContact O-CB 3.33Å; Y876-F880 PolarHBondContact O-N 2.83Å; C877-F880 PolarHBondContact O-N 3.17Å; F880-Q882 PolarHBondContact O-N 3.32Å; F880-L883 PolarHBondContact O-N 3.13Å; F880-C884 HydrophobicContact CZ-CB 4.38Å; F880-C884 WeakPolarHBondContact O-CB 3.44Å; F880-C884 PolarHBondContact O-N 2.69Å; F880-F885 HydrophobicContact CD1-CE2 4.47Å; F880-F885 AromaticContact CE1-CE2 3.95Å; F880-F885 HydrophobicContact CE1-CE2 3.95Å
881	C	93.3	Very high	91	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-40.2	178.1	-68.8	0	0	0	0	112.6	I795 C877 K878 L879 L883 F885 I886	I795-C881 HydrophobicContact CG2-CB 3.7Å; C877-C881 WeakPolarHBondContact O-CB 3.5Å; C877-C881 PolarHBondContact O-N 3.35Å; C877-C881 PolarHBondContact O-SG 3.21Å; K878-C881 PolarHBondContact O-N 3Å; L879-C881 VanDerWaalsContact C-N 3.34Å; L879-C881 PolarHBondContact O-N 3.2Å; C881-L883 VanDerWaalsContact C-N 3.27Å; C881-L883 PolarHBondContact O-N 3.42Å; C881-F885 WeakPolarHBondContact O-CA 3.34Å; C881-F885 WeakPolarHBondContact O-CB 3.15Å; C881-F885 PolarHBondContact O-N 2.87Å; C881-I886 PolarHBondContact O-N 3.4Å
882	Q	91.1	Very high	90.4	Very high	98 Å²	98	50.5 Å²	50.5	46%	0.458	25%	0.248	S	C	.	.	H	α-helix	trans	-63.4	-31.8	177.7	-75.5	175.1	7.5	0	0	112.9	K878 L879 F880 P887	K878-Q882 WeakPolarHBondContact O-CB 3.3Å; K878-Q882 VanDerWaalsContact O-CG 3.24Å; K878-Q882 WeakPolarHBondContact O-CG 3.35Å; K878-Q882 PolarHBondContact O-N 2.7Å; L879-Q882 PolarHBondContact O-N 3.01Å; F880-Q882 PolarHBondContact O-N 3.32Å; Q882-P887 VanDerWaalsContact O-CD 3.25Å; Q882-P887 WeakPolarHBondContact O-CD 3.24Å
883	L	90.9	Very high	89.9	Confident	99 Å²	99	48.9 Å²	48.9	52%	0.518	24%	0.241	S	C	.	.	H	α-helix	trans	-86.2	-42.9	178.6	-64.6	174.4	0	0	0	112.4	L879 F880 C881 P887	L879-L883 HydrophobicContact CD1-CD1 4.1Å; L879-L883 HydrophobicContact CD1-CG 4.37Å; L879-L883 HydrophobicContact CG-CD1 4.17Å; L879-L883 WeakPolarHBondContact O-CG 3.44Å; L879-L883 PolarHBondContact O-N 3.19Å; L879-L883 VanDerWaalsContact O-N 3.07Å; F880-L883 PolarHBondContact O-N 3.13Å; C881-L883 VanDerWaalsContact C-N 3.27Å; C881-L883 PolarHBondContact O-N 3.42Å; L883-P887 WeakPolarHBondContact O-CG 3.18Å
884	C	91.3	Very high	89.4	Confident	29 Å²	29	53 Å²	53	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-93.8	-37.4	-169.8	-65.1	0	0	0	0	114	I828 F880 R888	I828-C884 HydrophobicContact CD1-CB 4.42Å; I828-C884 HydrophobicContact CG2-CB 4.08Å; F880-C884 HydrophobicContact CZ-CB 4.38Å; F880-C884 WeakPolarHBondContact O-CB 3.44Å; F880-C884 PolarHBondContact O-N 2.69Å; C884-R888 PolarHBondContact O-NE 3.15Å; C884-R888 VanDerWaalsContact O-NE 3.08Å
885	F	91.6	Very high	88.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-59.7	-173.6	-73	-101.5	0	0	0	111.7	L792 L819 Q825 I828 V861 F880 C881 R888	L792-F885 HydrophobicContact CD1-CD1 4.07Å; L792-F885 HydrophobicContact CD1-CD2 4.24Å; L792-F885 HydrophobicContact CD1-CE1 3.86Å; L792-F885 HydrophobicContact CD1-CE2 4.04Å; L792-F885 HydrophobicContact CD1-CG 4.25Å; L792-F885 HydrophobicContact CD1-CZ 3.84Å; L792-F885 HydrophobicContact CD2-CE1 3.73Å; L792-F885 HydrophobicContact CD2-CZ 3.75Å; L792-F885 HydrophobicContact CG-CE1 4.42Å; L792-F885 HydrophobicContact CG-CZ 4.49Å; L819-F885 HydrophobicContact CD1-CB 4.04Å; L819-F885 VanDerWaalsContact CD1-O 3.28Å; L819-F885 WeakPolarHBondContact CD1-O 3.42Å; L819-F885 HydrophobicContact CG-CB 4.32Å; L819-F885 HydrophobicContact CG-CD1 4.48Å; Q825-F885 HydrophobicContact CG-CE1 3.87Å; Q825-F885 HydrophobicContact CG-CZ 4.09Å; I828-F885 HydrophobicContact CD1-CD1 3.65Å; I828-F885 HydrophobicContact CD1-CD2 3.73Å; I828-F885 HydrophobicContact CD1-CE1 3.61Å; I828-F885 HydrophobicContact CD1-CE2 3.7Å; I828-F885 HydrophobicContact CD1-CG 3.72Å; I828-F885 HydrophobicContact CD1-CZ 3.64Å; V861-F885 HydrophobicContact CG1-CE2 4.33Å; V861-F885 HydrophobicContact CG1-CZ 3.97Å; F880-F885 HydrophobicContact CD1-CE2 4.47Å; F880-F885 AromaticContact CE1-CE2 3.95Å; F880-F885 HydrophobicContact CE1-CE2 3.95Å; C881-F885 WeakPolarHBondContact O-CA 3.34Å; C881-F885 WeakPolarHBondContact O-CB 3.15Å; C881-F885 PolarHBondContact O-N 2.87Å; F885-R888 VanDerWaalsContact O-CB 3.28Å; F885-R888 WeakPolarHBondContact O-CB 3.31Å; F885-R888 PolarHBondContact O-N 3.01Å
886	I	89.4	Confident	87.9	Confident	18 Å²	18	52 Å²	52	9%	0.092	25%	0.254	C	S	.	.	H	α-helix	trans	-52.5	-41.1	-170.3	-61.3	-51.1	0	0	0	114.1	Y799 L819 C881 R888 L889	Y799-I886 HydrophobicContact CD1-CD1 3.54Å; Y799-I886 HydrophobicContact CD1-CG1 4.4Å; Y799-I886 HydrophobicContact CD1-CG2 4.42Å; Y799-I886 HydrophobicContact CD2-CD1 4.01Å; Y799-I886 HydrophobicContact CD2-CG1 4.14Å; Y799-I886 HydrophobicContact CD2-CG2 4.46Å; Y799-I886 HydrophobicContact CE1-CD1 3.91Å; Y799-I886 HydrophobicContact CE1-CG1 4.44Å; Y799-I886 HydrophobicContact CE1-CG2 3.67Å; Y799-I886 HydrophobicContact CE2-CD1 4.35Å; Y799-I886 HydrophobicContact CE2-CG1 4.2Å; Y799-I886 HydrophobicContact CE2-CG2 3.72Å; Y799-I886 HydrophobicContact CG-CD1 3.62Å; Y799-I886 HydrophobicContact CG-CG1 4.26Å; Y799-I886 VanDerWaalsContact OH-CG2 3.27Å; Y799-I886 WeakPolarHBondContact OH-CG2 3.37Å; L819-I886 HydrophobicContact CD2-CD1 3.96Å; C881-I886 PolarHBondContact O-N 3.4Å; I886-R888 PolarHBondContact O-N 3.16Å; I886-R888 VanDerWaalsContact O-N 3.11Å; I886-L889 WeakPolarHBondContact O-CB 3.39Å; I886-L889 PolarHBondContact O-N 3.42Å
887	P	88	Confident	87	Confident	80 Å²	80	54.3 Å²	54.3	52%	0.519	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-24.8	-179	-25.9	38.5	0	0	0	113.3	Q882 L883 L889	Q882-P887 VanDerWaalsContact O-CD 3.25Å; Q882-P887 WeakPolarHBondContact O-CD 3.24Å; L883-P887 WeakPolarHBondContact O-CG 3.18Å; P887-L889 VanDerWaalsContact C-N 3.29Å; P887-L889 PolarHBondContact O-N 3.2Å
888	R	87.8	Confident	85.9	Confident	64 Å²	64	55.4 Å²	55.4	24%	0.242	27%	0.27	C	S	.	.	H	α-helix	trans	-72.6	-21.5	177.8	-56.9	179.8	-179.6	-100.7	-6.1	112.6	D831 C884 F885 I886 K890 H891 F892	D831-R888 IonicContact OD2-CZ 3.42Å; D831-R888 IonicContact OD2-NH1 3.93Å; D831-R888 IonicContact OD2-NH2 3.12Å; D831-R888 PolarHBondContact OD2-NH2 3.44Å; C884-R888 PolarHBondContact O-NE 3.15Å; C884-R888 VanDerWaalsContact O-NE 3.08Å; F885-R888 VanDerWaalsContact O-CB 3.28Å; F885-R888 WeakPolarHBondContact O-CB 3.31Å; F885-R888 PolarHBondContact O-N 3.01Å; I886-R888 PolarHBondContact O-N 3.16Å; I886-R888 VanDerWaalsContact O-N 3.11Å; R888-K890 PolarHBondContact O-N 3.07Å; R888-H891 WeakPolarHBondContact O-CA 3.31Å; R888-H891 VanDerWaalsContact O-CB 3.31Å; R888-H891 WeakPolarHBondContact O-CB 3.28Å; R888-H891 PolarHBondContact O-N 3.27Å; R888-F892 HydrophobicContact CB-CD2 4.45Å; R888-F892 HydrophobicContact CB-CE2 3.96Å; R888-F892 VanDerWaalsContact O-CD2 3.26Å; R888-F892 WeakPolarHBondContact O-CD2 3.35Å; R888-F892 PolarHBondContact O-N 3.4Å
889	L	86.4	Confident	84.9	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-56.4	-38.3	179	-170.3	59.2	0	0	0	112	Y799 L800 F804 L815 I886 P887 H891 F892 I893	Y799-L889 HydrophobicContact CE1-CD2 4.27Å; L800-L889 HydrophobicContact CD2-CD2 3.89Å; F804-L889 HydrophobicContact CE2-CD2 3.48Å; F804-L889 VanDerWaalsContact CE2-CD2 3.48Å; F804-L889 HydrophobicContact CZ-CD2 3.44Å; F804-L889 VanDerWaalsContact CZ-CD2 3.44Å; F804-L889 HydrophobicContact CZ-CG 4.25Å; L815-L889 HydrophobicContact CB-CD1 4.49Å; L815-L889 HydrophobicContact CD2-CD1 4.16Å; I886-L889 WeakPolarHBondContact O-CB 3.39Å; I886-L889 PolarHBondContact O-N 3.42Å; P887-L889 VanDerWaalsContact C-N 3.29Å; P887-L889 PolarHBondContact O-N 3.2Å; L889-H891 VanDerWaalsContact C-N 3.29Å; L889-H891 PolarHBondContact O-N 2.94Å; L889-F892 PolarHBondContact O-N 2.89Å; L889-I893 HydrophobicContact CD1-CD1 4.39Å; L889-I893 HydrophobicContact CG-CD1 3.96Å; L889-I893 WeakPolarHBondContact O-CG1 3.03Å; L889-I893 PolarHBondContact O-N 2.83Å
890	K	83.4	Confident	84.2	Confident	137 Å²	137	54.2 Å²	54.2	60%	0.596	27%	0.267	S	S	*	.	H	α-helix	trans	-58.7	-40	174.8	-175.5	178.8	179.2	-178.9	0	112.2	M587 R888 L894	M587-K890 HydrophobicContact CE-CG 3.95Å; R888-K890 PolarHBondContact O-N 3.07Å; K890-L894 HydrophobicContact CG-CD1 3.9Å; K890-L894 HydrophobicContact CG-CG 4.41Å; K890-L894 WeakPolarHBondContact O-CB 3.43Å; K890-L894 VanDerWaalsContact O-CG 3.25Å; K890-L894 WeakPolarHBondContact O-CG 3.32Å; K890-L894 PolarHBondContact O-N 2.79Å
891	H	83.2	Confident	83.7	Confident	96 Å²	96	54.3 Å²	54.3	44%	0.444	27%	0.269	S	S	.	.	H	α-helix	trans	-66.1	-42.1	177.7	-179.2	91.4	0	0	0	111.5	R888 L889 N895	R888-H891 WeakPolarHBondContact O-CA 3.31Å; R888-H891 VanDerWaalsContact O-CB 3.31Å; R888-H891 WeakPolarHBondContact O-CB 3.28Å; R888-H891 PolarHBondContact O-N 3.27Å; L889-H891 VanDerWaalsContact C-N 3.29Å; L889-H891 PolarHBondContact O-N 2.94Å; H891-N895 PolarHBondContact CE1-ND2 3.27Å; H891-N895 PolarHBondContact ND1-ND2 2.92Å; H891-N895 VanDerWaalsContact ND1-ND2 3.2Å; H891-N895 PolarHBondContact NE2-ND2 2.95Å; H891-N895 VanDerWaalsContact NE2-ND2 3.16Å; H891-N895 WeakPolarHBondContact O-CB 3.5Å; H891-N895 PolarHBondContact O-N 2.9Å; H891-N895 VanDerWaalsContact O-N 3.15Å; H891-N895 PolarHBondContact O-ND2 3.36Å
892	F	83.5	Confident	83.4	Confident	30 Å²	30	57.4 Å²	57.4	13%	0.132	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-42.6	178.8	-66.8	-59.7	0	0	0	112.5	C818 T824 R888 L889 Q896 K897	C818-F892 HydrophobicContact CB-CG 4.36Å; T824-F892 HydrophobicContact CG2-CE2 4.3Å; T824-F892 HydrophobicContact CG2-CZ 4.23Å; T824-F892 WeakPolarHBondContact OG1-CZ 3.34Å; R888-F892 HydrophobicContact CB-CD2 4.45Å; R888-F892 HydrophobicContact CB-CE2 3.96Å; R888-F892 VanDerWaalsContact O-CD2 3.26Å; R888-F892 WeakPolarHBondContact O-CD2 3.35Å; R888-F892 PolarHBondContact O-N 3.4Å; L889-F892 PolarHBondContact O-N 2.89Å; F892-Q896 WeakPolarHBondContact O-CA 3.3Å; F892-Q896 PolarHBondContact O-N 3.39Å; F892-Q896 VanDerWaalsContact O-N 3.1Å; F892-K897 HydrophobicContact CD1-CB 4.15Å; F892-K897 PolarHBondContact O-N 3.42Å; F892-K897 VanDerWaalsContact O-N 3.11Å
893	I	82.3	Confident	83	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-49.5	179.1	-67.1	169.5	0	0	0	111	M584 M587 F804 L815 L889 N895 Q896	M584-I893 WeakPolarHBondContact O-CG2 3.36Å; M587-I893 HydrophobicContact CE-CB 3.92Å; M587-I893 HydrophobicContact CE-CG2 3.59Å; M587-I893 HydrophobicContact SD-CB 4.21Å; M587-I893 HydrophobicContact SD-CD1 3.94Å; M587-I893 HydrophobicContact SD-CG2 3.88Å; F804-I893 HydrophobicContact CE1-CD1 3.82Å; F804-I893 HydrophobicContact CZ-CD1 3.95Å; L815-I893 HydrophobicContact CD2-CG1 4.18Å; L889-I893 HydrophobicContact CD1-CD1 4.39Å; L889-I893 HydrophobicContact CG-CD1 3.96Å; L889-I893 WeakPolarHBondContact O-CG1 3.03Å; L889-I893 PolarHBondContact O-N 2.83Å; I893-N895 VanDerWaalsContact C-N 3.33Å; I893-N895 PolarHBondContact O-N 2.87Å; I893-Q896 PolarHBondContact O-N 3.49Å
894	L	80.7	Confident	82.5	Confident	109 Å²	109	52.3 Å²	52.3	57%	0.571	26%	0.257	S	S	*	.	H	α-helix	trans	-63.3	-39	-177.2	-72.2	174.9	0	0	0	112.8	M587 K890 Q896	M587-L894 HydrophobicContact CE-CD1 4.38Å; M587-L894 HydrophobicContact CE-CD2 3.62Å; M587-L894 HydrophobicContact CE-CG 3.59Å; K890-L894 HydrophobicContact CG-CD1 3.9Å; K890-L894 HydrophobicContact CG-CG 4.41Å; K890-L894 WeakPolarHBondContact O-CB 3.43Å; K890-L894 VanDerWaalsContact O-CG 3.25Å; K890-L894 WeakPolarHBondContact O-CG 3.32Å; K890-L894 PolarHBondContact O-N 2.79Å; L894-Q896 VanDerWaalsContact C-N 3.34Å
895	N	78.9	Confident	82.3	Confident	75 Å²	75	51 Å²	51	40%	0.401	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	5.7	-177.8	-62.5	-34.4	0	0	0	113.2	H891 I893 K897	H891-N895 PolarHBondContact CE1-ND2 3.27Å; H891-N895 PolarHBondContact ND1-ND2 2.92Å; H891-N895 VanDerWaalsContact ND1-ND2 3.2Å; H891-N895 PolarHBondContact NE2-ND2 2.95Å; H891-N895 VanDerWaalsContact NE2-ND2 3.16Å; H891-N895 WeakPolarHBondContact O-CB 3.5Å; H891-N895 PolarHBondContact O-N 2.9Å; H891-N895 VanDerWaalsContact O-N 3.15Å; H891-N895 PolarHBondContact O-ND2 3.36Å; I893-N895 VanDerWaalsContact C-N 3.33Å; I893-N895 PolarHBondContact O-N 2.87Å; N895-K897 HydrophobicContact CB-CD 4.31Å; N895-K897 HydrophobicContact CB-CG 3.96Å; N895-K897 PolarHBondContact O-N 3.43Å
896	Q	74.1	Confident	82	Confident	44 Å²	44	54.1 Å²	54.1	21%	0.206	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	31.2	-177.5	-56.5	-175.1	23.2	0	0	114.2	F892 I893 L894 W898	F892-Q896 WeakPolarHBondContact O-CA 3.3Å; F892-Q896 PolarHBondContact O-N 3.39Å; F892-Q896 VanDerWaalsContact O-N 3.1Å; I893-Q896 PolarHBondContact O-N 3.49Å; L894-Q896 VanDerWaalsContact C-N 3.34Å; Q896-W898 PolarHBondContact O-N 3.36Å
897	K	74.9	Confident	81.5	Confident	130 Å²	130	56.1 Å²	56.1	57%	0.565	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	25.9	-178.9	-71.9	-171.6	175.3	-178.1	0	112.8	F892 N895	F892-K897 HydrophobicContact CD1-CB 4.15Å; F892-K897 PolarHBondContact O-N 3.42Å; F892-K897 VanDerWaalsContact O-N 3.11Å; N895-K897 HydrophobicContact CB-CD 4.31Å; N895-K897 HydrophobicContact CB-CG 3.96Å; N895-K897 PolarHBondContact O-N 3.43Å
898	W	71.8	Confident	81	Confident	23 Å²	23	52.3 Å²	52.3	9%	0.087	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.7	-179.6	54.2	-100.4	0	0	0	114.2	L580 I581 M584 L814 C818 Q896	L580-W898 HydrophobicContact CD2-CH2 3.8Å; L580-W898 HydrophobicContact CD2-CZ3 3.77Å; L580-W898 HydrophobicContact CG-CH2 3.86Å; L580-W898 HydrophobicContact CG-CZ3 4.08Å; I581-W898 HydrophobicContact CG1-CH2 4.33Å; I581-W898 HydrophobicContact CG1-CZ2 4.13Å; M584-W898 HydrophobicContact CB-CD2 4.35Å; M584-W898 HydrophobicContact CB-CZ2 4.14Å; M584-W898 HydrophobicContact CE-CB 3.93Å; M584-W898 HydrophobicContact CE-CD2 3.95Å; M584-W898 HydrophobicContact CE-CE3 4.31Å; M584-W898 HydrophobicContact CE-CG 3.74Å; M584-W898 HydrophobicContact CG-CD2 4.33Å; M584-W898 HydrophobicContact CG-CZ2 4.36Å; L814-W898 HydrophobicContact CD1-CE3 4.36Å; C818-W898 WeakPolarHBondContact SG-CA 3.25Å; Q896-W898 PolarHBondContact O-N 3.36Å
899	S	73.4	Confident	80.6	Confident	13 Å²	13	49.4 Å²	49.4	9%	0.091	24%	0.237	C	C	.	.	S	Bend	trans	-127.2	132.5	173.4	179.2	0	0	0	0	109.9	R904	S899-R904 PolarHBondContact O-NE 3.46Å; S899-R904 WeakPolarHBondContact OG-CG 3.26Å
900	D	78.5	Confident	80.1	Confident	65 Å²	65	51.5 Å²	51.5	35%	0.348	25%	0.247	S	C	.	.			trans	-63.8	147.5	176.2	66.5	-71.3	0	0	0	110.8	K902 T903 R904	D900-K902 PolarHBondContact O-N 2.91Å; D900-K902 VanDerWaalsContact O-N 3.13Å; D900-K902 VanDerWaalsContact OD2-CB 3.29Å; D900-K902 WeakPolarHBondContact OD2-CB 3.45Å; D900-K902 PolarHBondContact OD2-N 3.35Å; D900-T903 VanDerWaalsContact CG-OG1 3.27Å; D900-T903 PolarHBondContact O-N 2.86Å; D900-T903 VanDerWaalsContact O-N 3.17Å; D900-T903 WeakPolarHBondContact OD1-CB 3.46Å; D900-T903 PolarHBondContact OD1-OG1 2.9Å; D900-T903 PolarHBondContact OD2-N 3.2Å; D900-T903 PolarHBondContact OD2-OG1 2.91Å; D900-R904 WeakPolarHBondContact O-CG 3.45Å; D900-R904 PolarHBondContact O-N 3.25Å
901	P	84.2	Confident	79.5	Confident	18 Å²	18	45.7 Å²	45.7	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-52.2	-34.8	-179.9	-28.7	34.4	0	0	0	114.4	R904 L905 I963 A966 E967 L970	P901-R904 PolarHBondContact O-N 2.83Å; P901-L905 WeakPolarHBondContact O-CB 3.21Å; P901-L905 PolarHBondContact O-N 2.71Å; P901-I963 HydrophobicContact CB-CG2 4.3Å; P901-I963 HydrophobicContact CG-CG2 3.85Å; P901-A966 HydrophobicContact CB-CB 4.19Å; P901-E967 HydrophobicContact CB-CB 3.92Å; P901-E967 HydrophobicContact CG-CB 4.13Å; P901-L970 HydrophobicContact CB-CD1 4.21Å
902	K	86.4	Confident	79	Confident	65 Å²	65	42.3 Å²	42.3	28%	0.283	21%	0.21	S	C	.	.	H	α-helix	trans	-67.2	-48.3	179.1	170.6	178.3	-170.9	-178.2	0	111.4	D900 L905 Q906 Y925 E962 A966	D900-K902 PolarHBondContact O-N 2.91Å; D900-K902 VanDerWaalsContact O-N 3.13Å; D900-K902 VanDerWaalsContact OD2-CB 3.29Å; D900-K902 WeakPolarHBondContact OD2-CB 3.45Å; D900-K902 PolarHBondContact OD2-N 3.35Å; K902-L905 PolarHBondContact O-N 3.24Å; K902-Q906 WeakPolarHBondContact O-CB 3.45Å; K902-Q906 PolarHBondContact O-N 3.09Å; K902-Y925 HydrophobicContact CD-CE2 4.28Å; K902-Y925 HydrophobicContact CG-CE2 4.06Å; K902-E962 IonicContact NZ-OE1 2.77Å; K902-E962 IonicContact NZ-OE2 3.92Å; K902-E962 PolarHBondContact NZ-OE2 2.96Å; K902-A966 HydrophobicContact CB-CB 4.15Å
903	T	83.3	Confident	78.2	Confident	46 Å²	46	46 Å²	46	28%	0.282	22%	0.222	S	C	.	.	H	α-helix	trans	-62.8	-41	173.5	-60.9	0	0	0	0	111.5	D900 L905 Q906 Q907	D900-T903 VanDerWaalsContact CG-OG1 3.27Å; D900-T903 PolarHBondContact O-N 2.86Å; D900-T903 VanDerWaalsContact O-N 3.17Å; D900-T903 WeakPolarHBondContact OD1-CB 3.46Å; D900-T903 PolarHBondContact OD1-OG1 2.9Å; D900-T903 PolarHBondContact OD2-N 3.2Å; D900-T903 PolarHBondContact OD2-OG1 2.91Å; T903-L905 PolarHBondContact O-N 2.88Å; T903-Q906 PolarHBondContact O-N 2.95Å; T903-Q907 HydrophobicContact CG2-CG 4.31Å; T903-Q907 WeakPolarHBondContact O-CB 3.24Å; T903-Q907 WeakPolarHBondContact O-CG 3.19Å; T903-Q907 PolarHBondContact O-N 3.12Å
904	R	80.2	Confident	77.4	Confident	45 Å²	45	50.1 Å²	50.1	17%	0.17	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-45.9	174.9	-71	-167.5	-69.5	160.5	4	111.6	S899 D900 P901 Q907 S908 L970 E984	S899-R904 PolarHBondContact O-NE 3.46Å; S899-R904 WeakPolarHBondContact OG-CG 3.26Å; D900-R904 WeakPolarHBondContact O-CG 3.45Å; D900-R904 PolarHBondContact O-N 3.25Å; P901-R904 PolarHBondContact O-N 2.83Å; R904-Q907 PolarHBondContact O-N 3.5Å; R904-S908 WeakPolarHBondContact O-CB 3.33Å; R904-S908 PolarHBondContact O-N 2.92Å; R904-S908 PolarHBondContact O-OG 3.05Å; R904-L970 HydrophobicContact CB-CD1 3.93Å; R904-E984 IonicContact NH1-OE1 3.91Å; R904-E984 IonicContact NH1-OE2 2.9Å; R904-E984 PolarHBondContact NH1-OE2 2.93Å
905	L	85.7	Confident	76.3	Confident	2 Å²	2	48 Å²	48	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-43.9	176.2	-175.7	64.7	0	0	0	111.3	P901 K902 T903 Q907 S908 C909 P923 V943 L950 A966 A969 L970 L977	P901-L905 WeakPolarHBondContact O-CB 3.21Å; P901-L905 PolarHBondContact O-N 2.71Å; K902-L905 PolarHBondContact O-N 3.24Å; T903-L905 PolarHBondContact O-N 2.88Å; L905-Q907 PolarHBondContact O-N 2.91Å; L905-S908 WeakPolarHBondContact O-CB 3.39Å; L905-S908 PolarHBondContact O-N 3.2Å; L905-S908 VanDerWaalsContact O-N 3.17Å; L905-C909 WeakPolarHBondContact O-CB 3.37Å; L905-C909 PolarHBondContact O-N 3.03Å; L905-C909 PolarHBondContact O-SG 3.42Å; L905-C909 VanDerWaalsContact O-SG 3.39Å; L905-P923 HydrophobicContact CD2-CB 4.39Å; L905-V943 HydrophobicContact CD2-CG1 4.44Å; L905-V943 HydrophobicContact CD2-CG2 3.76Å; L905-L950 HydrophobicContact CD1-CD1 4.45Å; L905-A966 HydrophobicContact CB-CB 4.23Å; L905-A966 HydrophobicContact CD2-CB 3.99Å; L905-A969 HydrophobicContact CD1-CB 4.25Å; L905-A969 HydrophobicContact CD2-CB 3.9Å; L905-L970 HydrophobicContact CB-CD2 4.2Å; L905-L970 HydrophobicContact CB-CG 4.28Å; L905-L970 HydrophobicContact CD1-CD2 3.98Å; L905-L970 HydrophobicContact CD1-CG 4.33Å; L905-L977 HydrophobicContact CD1-CD2 4.28Å
906	Q	85.6	Confident	75.3	Confident	64 Å²	64	48.8 Å²	48.8	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-47	176.2	-178.4	178.9	3.2	0	0	111.8	K902 T903 S908 C909 I910 I922 P923	K902-Q906 WeakPolarHBondContact O-CB 3.45Å; K902-Q906 PolarHBondContact O-N 3.09Å; T903-Q906 PolarHBondContact O-N 2.95Å; Q906-S908 VanDerWaalsContact C-N 3.27Å; Q906-S908 PolarHBondContact O-N 2.67Å; Q906-C909 PolarHBondContact O-N 3.19Å; Q906-I910 HydrophobicContact CG-CD1 3.82Å; Q906-I910 HydrophobicContact CG-CG1 4.48Å; Q906-I910 VanDerWaalsContact O-CB 3.3Å; Q906-I910 WeakPolarHBondContact O-CB 3.35Å; Q906-I910 WeakPolarHBondContact O-CG1 3.36Å; Q906-I910 PolarHBondContact O-N 3.15Å; Q906-I922 HydrophobicContact CG-CG2 4.28Å; Q906-P923 HydrophobicContact CB-CG 4.24Å
907	Q	78.4	Confident	74.6	Confident	61 Å²	61	49.9 Å²	49.9	29%	0.285	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-36.7	176.8	-71.7	-164.3	1.8	0	0	111.9	I577 T903 R904 L905 A911	I577-Q907 HydrophobicContact CD1-CB 3.9Å; T903-Q907 HydrophobicContact CG2-CG 4.31Å; T903-Q907 WeakPolarHBondContact O-CB 3.24Å; T903-Q907 WeakPolarHBondContact O-CG 3.19Å; T903-Q907 PolarHBondContact O-N 3.12Å; R904-Q907 PolarHBondContact O-N 3.5Å; L905-Q907 PolarHBondContact O-N 2.91Å; Q907-A911 WeakPolarHBondContact O-CB 3.12Å; Q907-A911 PolarHBondContact O-N 3.46Å
908	S	77.8	Confident	74.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-45.4	175.2	-51.6	0	0	0	0	112.4	R904 L905 Q906 A911 L912 L981	R904-S908 WeakPolarHBondContact O-CB 3.33Å; R904-S908 PolarHBondContact O-N 2.92Å; R904-S908 PolarHBondContact O-OG 3.05Å; L905-S908 WeakPolarHBondContact O-CB 3.39Å; L905-S908 PolarHBondContact O-N 3.2Å; L905-S908 VanDerWaalsContact O-N 3.17Å; Q906-S908 VanDerWaalsContact C-N 3.27Å; Q906-S908 PolarHBondContact O-N 2.67Å; S908-A911 VanDerWaalsContact O-CB 3.29Å; S908-A911 WeakPolarHBondContact O-CB 3.19Å; S908-A911 PolarHBondContact O-N 2.86Å; S908-L912 WeakPolarHBondContact O-CG 3.4Å; S908-L912 PolarHBondContact O-N 3.25Å; S908-L981 WeakPolarHBondContact OG-CD1 3.4Å
909	C	80.4	Confident	73.9	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-43	176.6	-73.5	0	0	0	0	111.6	L905 Q906 A911 L912 F945	L905-C909 WeakPolarHBondContact O-CB 3.37Å; L905-C909 PolarHBondContact O-N 3.03Å; L905-C909 PolarHBondContact O-SG 3.42Å; L905-C909 VanDerWaalsContact O-SG 3.39Å; Q906-C909 PolarHBondContact O-N 3.19Å; C909-A911 PolarHBondContact O-N 3.27Å; C909-L912 WeakPolarHBondContact O-CA 3.41Å; C909-L912 PolarHBondContact O-N 3.31Å; C909-F945 HydrophobicContact CB-CD2 3.9Å; C909-F945 HydrophobicContact CB-CE2 3.47Å; C909-F945 VanDerWaalsContact CB-CE2 3.47Å; C909-F945 HydrophobicContact CB-CZ 3.82Å; C909-F945 VanDerWaalsContact SG-CD2 3.58Å
910	I	76.5	Confident	73.7	Confident	51 Å²	51	55.2 Å²	55.2	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-31.9	173.4	-79.7	172.4	0	0	0	111.6	Q906 L912 R913	Q906-I910 HydrophobicContact CG-CD1 3.82Å; Q906-I910 HydrophobicContact CG-CG1 4.48Å; Q906-I910 VanDerWaalsContact O-CB 3.3Å; Q906-I910 WeakPolarHBondContact O-CB 3.35Å; Q906-I910 WeakPolarHBondContact O-CG1 3.36Å; Q906-I910 PolarHBondContact O-N 3.15Å; I910-L912 PolarHBondContact O-N 3.07Å; I910-R913 VanDerWaalsContact CG2-NH2 3.34Å; I910-R913 WeakPolarHBondContact O-CD 3.36Å; I910-R913 WeakPolarHBondContact O-CG 3.47Å; I910-R913 PolarHBondContact O-NE 3.13Å; I910-R913 VanDerWaalsContact O-NE 3.16Å
911	A	70.9	Confident	73.5	Confident	14 Å²	14	56.7 Å²	56.7	12%	0.116	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.7	173.6	0	0	0	0	0	113.4	L438 L441 Q907 S908 C909 P978	L438-A911 WeakPolarHBondContact CD2-O 3.47Å; L441-A911 HydrophobicContact CD1-CB 3.76Å; L441-A911 WeakPolarHBondContact CD1-O 3.31Å; L441-A911 HydrophobicContact CD2-CB 4.48Å; Q907-A911 WeakPolarHBondContact O-CB 3.12Å; Q907-A911 PolarHBondContact O-N 3.46Å; S908-A911 VanDerWaalsContact O-CB 3.29Å; S908-A911 WeakPolarHBondContact O-CB 3.19Å; S908-A911 PolarHBondContact O-N 2.86Å; C909-A911 PolarHBondContact O-N 3.27Å; A911-P978 HydrophobicContact CB-CG 3.9Å
912	L	71	Confident	73.5	Confident	25 Å²	25	60.2 Å²	60.2	13%	0.131	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	16	-178	-64.5	171.6	0	0	0	114	S908 C909 I910 R946 M976 P978	S908-L912 WeakPolarHBondContact O-CG 3.4Å; S908-L912 PolarHBondContact O-N 3.25Å; C909-L912 WeakPolarHBondContact O-CA 3.41Å; C909-L912 PolarHBondContact O-N 3.31Å; I910-L912 PolarHBondContact O-N 3.07Å; L912-R946 PolarHBondContact O-NH2 2.88Å; L912-M976 WeakPolarHBondContact CD1-O 3.33Å; L912-P978 HydrophobicContact CD2-CG 4.49Å
913	R	68	Low	73.6	Confident	107 Å²	107	57.5 Å²	57.5	40%	0.404	33%	0.327	S	S	.	.			trans	-46.6	145.1	179.3	-75.8	167.7	-160.9	-138	-4.4	112.8	L438 I910 P920	L438-R913 VanDerWaalsContact CD1-O 3.26Å; L438-R913 WeakPolarHBondContact CD1-O 3.07Å; L438-R913 HydrophobicContact CD2-CB 4.33Å; L438-R913 VanDerWaalsContact CD2-O 3.31Å; L438-R913 WeakPolarHBondContact CD2-O 3.3Å; I910-R913 VanDerWaalsContact CG2-NH2 3.34Å; I910-R913 WeakPolarHBondContact O-CD 3.36Å; I910-R913 WeakPolarHBondContact O-CG 3.47Å; I910-R913 PolarHBondContact O-NE 3.13Å; I910-R913 VanDerWaalsContact O-NE 3.16Å; R913-P920 HydrophobicContact CG-CB 3.73Å; R913-P920 VanDerWaalsContact CZ-CG 3.49Å; R913-P920 VanDerWaalsContact NE-CB 3.32Å
914	D	64.4	Low	74	Confident	93 Å²	93	60.3 Å²	60.3	50%	0.497	34%	0.337	S	S	.	.			trans	-65.1	131.9	173	-168.6	-29.8	0	0	0	110.1	S916	D914-S916 PolarHBondContact O-N 3.21Å; D914-S916 VanDerWaalsContact O-N 3.15Å; D914-S916 WeakPolarHBondContact OD1-CB 3.39Å; D914-S916 PolarHBondContact OD1-N 3.16Å; D914-S916 PolarHBondContact OD1-OG 3.39Å; D914-S916 PolarHBondContact OD2-OG 3.03Å
915	P	57.5	Low	74.7	Confident	63 Å²	63	60.1 Å²	60.1	41%	0.409	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-25.7	171.1	-27.3	32.9	0	0	0	115.5	F435 L438 G917	F435-P915 HydrophobicContact CD2-CB 3.83Å; F435-P915 HydrophobicContact CD2-CG 3.72Å; F435-P915 HydrophobicContact CE2-CB 4.14Å; F435-P915 HydrophobicContact CE2-CG 3.79Å; L438-P915 HydrophobicContact CD1-CB 4.45Å; L438-P915 HydrophobicContact CD1-CG 3.93Å; P915-G917 PolarHBondContact O-N 3.25Å; P915-G917 VanDerWaalsContact O-N 3.09Å
916	S	59	Low	75.1	Confident	92 Å²	92	65 Å²	65	64%	0.643	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-7.8	-173.4	60.8	0	0	0	0	115	D914	D914-S916 PolarHBondContact O-N 3.21Å; D914-S916 VanDerWaalsContact O-N 3.15Å; D914-S916 WeakPolarHBondContact OD1-CB 3.39Å; D914-S916 PolarHBondContact OD1-N 3.16Å; D914-S916 PolarHBondContact OD1-OG 3.39Å; D914-S916 PolarHBondContact OD2-OG 3.03Å
917	G	59.3	Low	75.5	Confident	68 Å²	68	65.4 Å²	65.4	70%	0.701	37%	0.365	S	S	*	.			trans	89	13.8	170.5	0	0	0	0	0	115.1	P915	P915-G917 PolarHBondContact O-N 3.25Å; P915-G917 VanDerWaalsContact O-N 3.09Å
918	G	65	Low	76.3	Confident	53 Å²	53	65.7 Å²	65.7	55%	0.546	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-65.6	166.4	169.3	0	0	0	0	0	113.4
919	E	66.8	Low	77	Confident	183 Å²	183	67.1 Å²	67.1	86%	0.855	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-57.6	141.1	170.6	-70	-171.1	167.7	0	0	110.5	E921	E919-E921 PolarHBondContact O-N 2.85Å
920	P	68	Low	77.7	Confident	42 Å²	42	70.4 Å²	70.4	27%	0.273	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-63.7	122.1	178.2	28	-35.5	0	0	0	111.6	R913 I922	R913-P920 HydrophobicContact CG-CB 3.73Å; R913-P920 VanDerWaalsContact CZ-CG 3.49Å; R913-P920 VanDerWaalsContact NE-CB 3.32Å; P920-I922 PolarHBondContact O-N 2.92Å
921	E	75.7	Confident	78.4	Confident	96 Å²	96	73.4 Å²	73.4	45%	0.449	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-63.9	129.1	168.1	-68.1	179.1	-124.3	0	0	110.3	E919 F945 R946	E919-E921 PolarHBondContact O-N 2.85Å; E921-F945 HydrophobicContact CB-CE2 4Å; E921-R946 IonicContact OE1-NE 3.78Å; E921-R946 WeakPolarHBondContact OE2-CA 3.49Å; E921-R946 WeakPolarHBondContact OE2-CG 3.48Å; E921-R946 PolarHBondContact OE2-N 2.74Å
922	I	84.2	Confident	79.1	Confident	92 Å²	92	75.4 Å²	75.4	47%	0.472	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-103.8	142.1	177.8	-59.6	173	0	0	0	107.4	Q906 P920 Q924	Q906-I922 HydrophobicContact CG-CG2 4.28Å; P920-I922 PolarHBondContact O-N 2.92Å; I922-Q924 PolarHBondContact O-N 3.48Å
923	P	88.3	Confident	79.8	Confident	7 Å²	7	78.3 Å²	78.3	5%	0.045	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-57.4	125.4	173.8	22.7	-33.3	0	0	0	110.8	L905 Q906 Y925 V943 Y944	L905-P923 HydrophobicContact CD2-CB 4.39Å; Q906-P923 HydrophobicContact CB-CG 4.24Å; P923-Y925 HydrophobicContact CB-CE2 4.29Å; P923-Y925 HydrophobicContact CG-CE2 4.37Å; P923-V943 HydrophobicContact CB-CG2 3.83Å; P923-Y944 CarbonylContact C-O 3.6Å; P923-Y944 WeakPolarHBondContact CA-O 3.22Å
924	Q	91.9	Very high	80.4	Confident	105 Å²	105	78 Å²	78	49%	0.491	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.5	178.7	-65.9	-176.6	-8.4	0	0	109.9	I922 V943 Y944	I922-Q924 PolarHBondContact O-N 3.48Å; Q924-V943 CarbonylContact O-C 3.54Å; Q924-V943 WeakPolarHBondContact O-CA 3.43Å; Q924-Y944 PolarHBondContact N-O 3.29Å; Q924-Y944 PolarHBondContact O-N 2.81Å
925	Y	94.1	Very high	81	Confident	41 Å²	41	81 Å²	81	16%	0.161	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.6	175.7	-62.7	-93.5	0	0	0	109	K902 P923 V941 A942 V943 E962 A966	K902-Y925 HydrophobicContact CD-CE2 4.28Å; K902-Y925 HydrophobicContact CG-CE2 4.06Å; P923-Y925 HydrophobicContact CB-CE2 4.29Å; P923-Y925 HydrophobicContact CG-CE2 4.37Å; Y925-V941 HydrophobicContact CD1-CG1 4.16Å; Y925-A942 WeakPolarHBondContact CA-O 3.03Å; Y925-V943 HydrophobicContact CD1-CB 3.87Å; Y925-V943 HydrophobicContact CD1-CG2 4.09Å; Y925-V943 HydrophobicContact CE1-CB 3.72Å; Y925-V943 HydrophobicContact CE1-CG2 3.69Å; Y925-V943 HydrophobicContact CE2-CG2 4.43Å; Y925-E962 HydrophobicContact CD1-CB 3.89Å; Y925-E962 HydrophobicContact CD1-CG 3.74Å; Y925-E962 HydrophobicContact CE1-CB 4.18Å; Y925-E962 HydrophobicContact CE1-CG 4.49Å; Y925-E962 WeakPolarHBondContact CE1-O 3.4Å; Y925-E962 HydrophobicContact CG-CB 4.41Å; Y925-E962 HydrophobicContact CG-CG 3.87Å; Y925-A966 HydrophobicContact CE1-CB 4.24Å; Y925-A966 WeakPolarHBondContact OH-CB 3.38Å
926	K	94.3	Very high	82.2	Confident	105 Å²	105	82.2 Å²	82.2	46%	0.457	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.9	177.2	-56.2	-176.8	177.7	179.2	0	109.9	V928 V941 A942 Y944	K926-V928 PolarHBondContact O-N 3.38Å; K926-V941 WeakPolarHBondContact O-CA 2.98Å; K926-A942 PolarHBondContact N-O 3.33Å; K926-A942 PolarHBondContact O-N 3.06Å; K926-Y944 HydrophobicContact CB-CD2 4.31Å; K926-Y944 HydrophobicContact CB-CE2 3.87Å; K926-Y944 HydrophobicContact CD-CD2 4.05Å; K926-Y944 HydrophobicContact CD-CE2 3.93Å; K926-Y944 HydrophobicContact CG-CD2 4.02Å; K926-Y944 HydrophobicContact CG-CE2 4.01Å
927	V	95.1	Very high	83.5	Confident	73 Å²	73	82.4 Å²	82.4	44%	0.442	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	124.9	172.1	-176.1	0	0	0	0	108.5	V930 V941	V927-V930 HydrophobicContact CG1-CG2 3.78Å; V927-V941 HydrophobicContact CG2-CG2 4.18Å
928	V	94.4	Very high	85.1	Confident	67 Å²	67	82.2 Å²	82.2	41%	0.406	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-47	-178.9	179.2	0	0	0	0	110.8	K926 K940 A942	K926-V928 PolarHBondContact O-N 3.38Å; V928-K940 HydrophobicContact CB-CB 4.48Å; V928-K940 HydrophobicContact CB-CD 4.2Å; V928-K940 HydrophobicContact CB-CG 4.12Å; V928-K940 HydrophobicContact CG1-CD 4.13Å; V928-K940 PolarHBondContact N-O 3.2Å; V928-A942 HydrophobicContact CG2-CB 3.45Å; V928-A942 VanDerWaalsContact CG2-CB 3.45Å
929	S	93.3	Very high	86.5	Confident	30 Å²	30	81.8 Å²	81.8	21%	0.21	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.1	175.3	61.3	0	0	0	0	110.4	E931 K940	S929-E931 PolarHBondContact OG-OE1 3Å; S929-K940 PolarHBondContact N-O 3.22Å; S929-K940 PolarHBondContact O-N 3.32Å; S929-K940 WeakPolarHBondContact OG-CB 3.4Å; S929-K940 WeakPolarHBondContact OG-CD 3.37Å
930	V	93.9	Very high	87.8	Confident	71 Å²	71	75.7 Å²	75.7	43%	0.43	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.9	169.8	-175.7	0	0	0	0	106.1	V927 R937 Y939	V927-V930 HydrophobicContact CG1-CG2 3.78Å; V930-R937 HydrophobicContact CG1-CB 4.13Å; V930-R937 HydrophobicContact CG1-CG 4.21Å; V930-Y939 HydrophobicContact CB-CD1 4.49Å; V930-Y939 HydrophobicContact CG1-CD1 4.12Å; V930-Y939 HydrophobicContact CG1-CE1 3.89Å; V930-Y939 HydrophobicContact CG2-CD1 3.66Å; V930-Y939 HydrophobicContact CG2-CE1 3.82Å
931	E	91.3	Very high	89.2	Confident	114 Å²	114	73.8 Å²	73.8	53%	0.533	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	156.7	-175.4	-69.9	165.4	-144.7	0	0	109.9	S929 R937 V938	S929-E931 PolarHBondContact OG-OE1 3Å; E931-R937 CarbonylContact O-C 3.55Å; E931-R937 WeakPolarHBondContact O-CA 3.44Å; E931-V938 PolarHBondContact N-O 2.77Å; E931-V938 PolarHBondContact O-N 3.46Å
932	G	86.5	Confident	90.1	Very high	56 Å²	56	69.2 Å²	69.2	58%	0.577	38%	0.379	S	S	*	.	S	Bend	trans	90.2	167.1	178.1	0	0	0	0	0	115.1
933	P	84.4	Confident	90.6	Very high	87 Å²	87	64.8 Å²	64.8	57%	0.565	36%	0.356	S	S	*	.			trans	-69.6	159.3	-176.8	24.9	-27.7	0	0	0	111.7	N935 T936 R937	P933-N935 PolarHBondContact O-N 3.45Å; P933-T936 WeakPolarHBondContact CD-OG1 3.38Å; P933-T936 VanDerWaalsContact CG-OG1 3.27Å; P933-T936 WeakPolarHBondContact CG-OG1 3.28Å; P933-T936 CarbonylContact O-C 3.28Å; P933-T936 VanDerWaalsContact O-C 3.28Å; P933-T936 PolarHBondContact O-N 3.44Å; P933-R937 WeakPolarHBondContact O-CG 3.13Å; P933-R937 PolarHBondContact O-N 3.22Å; P933-R937 VanDerWaalsContact O-N 3.13Å
934	T	80.4	Confident	90.7	Very high	99 Å²	99	67.1 Å²	67.1	61%	0.607	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-32.3	-172.5	-60.6	0	0	0	0	114.6	R937	T934-R937 PolarHBondContact OG1-NH2 3.17Å
935	N	77.9	Confident	90.4	Very high	157 Å²	157	62.5 Å²	62.5	84%	0.84	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-14.6	-177.3	-60	-7	0	0	0	113.8	P933	P933-N935 PolarHBondContact O-N 3.45Å
936	T	81.9	Confident	89.8	Confident	88 Å²	88	66.2 Å²	66.2	54%	0.54	36%	0.356	S	S	.	.	S	Bend	trans	-138.8	49.8	-179.5	65.3	0	0	0	0	110.1	P933	P933-T936 WeakPolarHBondContact CD-OG1 3.38Å; P933-T936 VanDerWaalsContact CG-OG1 3.27Å; P933-T936 WeakPolarHBondContact CG-OG1 3.28Å; P933-T936 CarbonylContact O-C 3.28Å; P933-T936 VanDerWaalsContact O-C 3.28Å; P933-T936 PolarHBondContact O-N 3.44Å
937	R	87.6	Confident	89.2	Confident	96 Å²	96	68.6 Å²	68.6	36%	0.362	37%	0.374	S	S	.	.			trans	-66	134.2	177.8	-70.3	179.6	177	165.1	4.1	109.8	V930 E931 P933 T934 Y939 Q956	V930-R937 HydrophobicContact CG1-CB 4.13Å; V930-R937 HydrophobicContact CG1-CG 4.21Å; E931-R937 CarbonylContact O-C 3.55Å; E931-R937 WeakPolarHBondContact O-CA 3.44Å; P933-R937 WeakPolarHBondContact O-CG 3.13Å; P933-R937 PolarHBondContact O-N 3.22Å; P933-R937 VanDerWaalsContact O-N 3.13Å; T934-R937 PolarHBondContact OG1-NH2 3.17Å; R937-Y939 HydrophobicContact CB-CD2 4.29Å; R937-Y939 HydrophobicContact CB-CE2 3.7Å; R937-Q956 WeakPolarHBondContact O-CA 3.28Å
938	V	91.7	Very high	88.8	Confident	65 Å²	65	68 Å²	68	39%	0.394	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.2	169	-177.4	0	0	0	0	107.2	E931 Y954	E931-V938 PolarHBondContact N-O 2.77Å; E931-V938 PolarHBondContact O-N 3.46Å; V938-Y954 HydrophobicContact CG1-CD1 4.39Å
939	Y	94	Very high	88.6	Confident	43 Å²	43	71.9 Å²	71.9	17%	0.169	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.3	174.9	-66.9	-92.1	0	0	0	109.1	V930 R937 Y954 G955 Q956 I958 A961	V930-Y939 HydrophobicContact CB-CD1 4.49Å; V930-Y939 HydrophobicContact CG1-CD1 4.12Å; V930-Y939 HydrophobicContact CG1-CE1 3.89Å; V930-Y939 HydrophobicContact CG2-CD1 3.66Å; V930-Y939 HydrophobicContact CG2-CE1 3.82Å; R937-Y939 HydrophobicContact CB-CD2 4.29Å; R937-Y939 HydrophobicContact CB-CE2 3.7Å; Y939-Y954 WeakPolarHBondContact O-CA 3.34Å; Y939-G955 PolarHBondContact N-O 2.71Å; Y939-G955 PolarHBondContact O-N 2.83Å; Y939-Q956 WeakPolarHBondContact CD2-O 3.35Å; Y939-Q956 WeakPolarHBondContact CE2-O 3.29Å; Y939-I958 HydrophobicContact CD1-CD1 4.31Å; Y939-I958 HydrophobicContact CD1-CG1 3.52Å; Y939-I958 HydrophobicContact CE1-CD1 4.14Å; Y939-I958 HydrophobicContact CE1-CG1 3.73Å; Y939-I958 HydrophobicContact CG-CG1 3.99Å; Y939-A961 WeakPolarHBondContact O-CB 3.38Å
940	K	96	Very high	88.4	Confident	56 Å²	56	71.2 Å²	71.2	24%	0.243	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.7	171.1	-174.8	-179	-173.3	172.2	0	108.6	V928 S929 V952 G953 Y954	V928-K940 HydrophobicContact CB-CB 4.48Å; V928-K940 HydrophobicContact CB-CD 4.2Å; V928-K940 HydrophobicContact CB-CG 4.12Å; V928-K940 HydrophobicContact CG1-CD 4.13Å; V928-K940 PolarHBondContact N-O 3.2Å; S929-K940 PolarHBondContact N-O 3.22Å; S929-K940 PolarHBondContact O-N 3.32Å; S929-K940 WeakPolarHBondContact OG-CB 3.4Å; S929-K940 WeakPolarHBondContact OG-CD 3.37Å; K940-V952 HydrophobicContact CD-CG1 4.25Å; K940-V952 HydrophobicContact CG-CG1 3.57Å; K940-G953 WeakPolarHBondContact CA-O 3.28Å; K940-Y954 HydrophobicContact CB-CD1 4.18Å; K940-Y954 HydrophobicContact CB-CE1 4.14Å; K940-Y954 HydrophobicContact CD-CE1 3.83Å; K940-Y954 WeakPolarHBondContact CE-OH 3.43Å; K940-Y954 HydrophobicContact CG-CD1 4.09Å; K940-Y954 HydrophobicContact CG-CE1 3.67Å
941	V	96.1	Very high	88.4	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.5	-177.5	176.8	0	0	0	0	109.8	Y925 K926 V927 V952 G953 I958 A961 E962	Y925-V941 HydrophobicContact CD1-CG1 4.16Å; K926-V941 WeakPolarHBondContact O-CA 2.98Å; V927-V941 HydrophobicContact CG2-CG2 4.18Å; V941-V952 CarbonylContact O-C 3.59Å; V941-V952 WeakPolarHBondContact O-CA 3.49Å; V941-G953 PolarHBondContact N-O 2.76Å; V941-G953 PolarHBondContact O-N 3.12Å; V941-I958 HydrophobicContact CG2-CG2 4.46Å; V941-A961 HydrophobicContact CB-CB 3.92Å; V941-A961 HydrophobicContact CG2-CB 3.54Å; V941-E962 HydrophobicContact CG1-CG 3.89Å
942	A	95.2	Very high	88.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138	173.2	0	0	0	0	0	110.5	Y925 K926 V928 Y944 R949 A951 V952	Y925-A942 WeakPolarHBondContact CA-O 3.03Å; K926-A942 PolarHBondContact N-O 3.33Å; K926-A942 PolarHBondContact O-N 3.06Å; V928-A942 HydrophobicContact CG2-CB 3.45Å; V928-A942 VanDerWaalsContact CG2-CB 3.45Å; A942-Y944 HydrophobicContact CB-CD2 4.35Å; A942-Y944 HydrophobicContact CB-CE2 3.49Å; A942-Y944 VanDerWaalsContact CB-CE2 3.49Å; A942-Y944 WeakPolarHBondContact O-CD2 3.45Å; A942-R949 HydrophobicContact CB-CG 4.14Å; A942-A951 WeakPolarHBondContact CA-O 3.46Å; A942-V952 HydrophobicContact CB-CG2 4.1Å
943	V	93.7	Very high	88.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.5	174.5	56.7	0	0	0	0	110.2	L905 P923 Q924 Y925 L950 A951 A965 A969	L905-V943 HydrophobicContact CD2-CG1 4.44Å; L905-V943 HydrophobicContact CD2-CG2 3.76Å; P923-V943 HydrophobicContact CB-CG2 3.83Å; Q924-V943 CarbonylContact O-C 3.54Å; Q924-V943 WeakPolarHBondContact O-CA 3.43Å; Y925-V943 HydrophobicContact CD1-CB 3.87Å; Y925-V943 HydrophobicContact CD1-CG2 4.09Å; Y925-V943 HydrophobicContact CE1-CB 3.72Å; Y925-V943 HydrophobicContact CE1-CG2 3.69Å; Y925-V943 HydrophobicContact CE2-CG2 4.43Å; V943-L950 HydrophobicContact CG1-CB 4.16Å; V943-L950 PolarHBondContact O-N 3.37Å; V943-A951 HydrophobicContact CG1-CB 4.09Å; V943-A951 PolarHBondContact N-O 2.72Å; V943-A965 HydrophobicContact CB-CB 4.43Å; V943-A965 HydrophobicContact CG1-CB 4.16Å; V943-A969 HydrophobicContact CG1-CB 3.86Å
944	Y	91.1	Very high	89.4	Confident	56 Å²	56	63.2 Å²	63.2	22%	0.22	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.2	-178.1	-61.5	-97.5	0	0	0	110.2	P923 Q924 K926 A942 S948 R949	P923-Y944 CarbonylContact C-O 3.6Å; P923-Y944 WeakPolarHBondContact CA-O 3.22Å; Q924-Y944 PolarHBondContact N-O 3.29Å; Q924-Y944 PolarHBondContact O-N 2.81Å; K926-Y944 HydrophobicContact CB-CD2 4.31Å; K926-Y944 HydrophobicContact CB-CE2 3.87Å; K926-Y944 HydrophobicContact CD-CD2 4.05Å; K926-Y944 HydrophobicContact CD-CE2 3.93Å; K926-Y944 HydrophobicContact CG-CD2 4.02Å; K926-Y944 HydrophobicContact CG-CE2 4.01Å; A942-Y944 HydrophobicContact CB-CD2 4.35Å; A942-Y944 HydrophobicContact CB-CE2 3.49Å; A942-Y944 VanDerWaalsContact CB-CE2 3.49Å; A942-Y944 WeakPolarHBondContact O-CD2 3.45Å; Y944-S948 CarbonylContact C-O 3.49Å; Y944-S948 VanDerWaalsContact CA-O 3.28Å; Y944-S948 WeakPolarHBondContact CA-O 3.25Å; Y944-R949 HydrophobicContact CD1-CB 3.85Å; Y944-R949 HydrophobicContact CD1-CG 4.35Å; Y944-R949 HydrophobicContact CE1-CB 3.61Å; Y944-R949 HydrophobicContact CE1-CG 3.92Å
945	F	86.6	Confident	90	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.035	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	130.4	172.6	-177.6	-115.4	0	0	0	108.2	C909 E921 N947 S948 L950 M976	C909-F945 HydrophobicContact CB-CD2 3.9Å; C909-F945 HydrophobicContact CB-CE2 3.47Å; C909-F945 VanDerWaalsContact CB-CE2 3.47Å; C909-F945 HydrophobicContact CB-CZ 3.82Å; C909-F945 VanDerWaalsContact SG-CD2 3.58Å; E921-F945 HydrophobicContact CB-CE2 4Å; F945-N947 VanDerWaalsContact C-N 3.3Å; F945-N947 PolarHBondContact O-N 2.76Å; F945-S948 PolarHBondContact N-O 3.21Å; F945-S948 WeakPolarHBondContact O-CB 3.48Å; F945-S948 PolarHBondContact O-N 3.37Å; F945-L950 HydrophobicContact CB-CD1 3.58Å; F945-L950 HydrophobicContact CB-CD2 4.25Å; F945-L950 HydrophobicContact CB-CG 3.92Å; F945-L950 HydrophobicContact CG-CD1 4.46Å; F945-M976 HydrophobicContact CD1-SD 4.48Å
946	R	80.8	Confident	90.4	Very high	119 Å²	119	59.4 Å²	59.4	45%	0.449	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	46.2	-173.2	-69.4	176	171.7	161.3	6.4	113.5	L912 E921 S948	L912-R946 PolarHBondContact O-NH2 2.88Å; E921-R946 IonicContact OE1-NE 3.78Å; E921-R946 WeakPolarHBondContact OE2-CA 3.49Å; E921-R946 WeakPolarHBondContact OE2-CG 3.48Å; E921-R946 PolarHBondContact OE2-N 2.74Å; R946-S948 PolarHBondContact O-N 3.31Å
947	N	81.4	Confident	90.8	Very high	155 Å²	155	57.2 Å²	57.2	83%	0.829	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	9.2	-174.7	-61.2	-30.5	0	0	0	115.5	F945	F945-N947 VanDerWaalsContact C-N 3.3Å; F945-N947 PolarHBondContact O-N 2.76Å
948	S	86.4	Confident	90.9	Very high	61 Å²	61	56.2 Å²	56.2	43%	0.427	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.8	175.9	-168	0	0	0	0	110	Y944 F945 R946 L950	Y944-S948 CarbonylContact C-O 3.49Å; Y944-S948 VanDerWaalsContact CA-O 3.28Å; Y944-S948 WeakPolarHBondContact CA-O 3.25Å; F945-S948 PolarHBondContact N-O 3.21Å; F945-S948 WeakPolarHBondContact O-CB 3.48Å; F945-S948 PolarHBondContact O-N 3.37Å; R946-S948 PolarHBondContact O-N 3.31Å; S948-L950 PolarHBondContact O-N 3.22Å
949	R	90.8	Very high	90.8	Very high	148 Å²	148	60.7 Å²	60.7	56%	0.558	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	113.2	172.9	-170.5	174.7	68.8	178.6	2	109	A942 Y944	A942-R949 HydrophobicContact CB-CG 4.14Å; Y944-R949 HydrophobicContact CD1-CB 3.85Å; Y944-R949 HydrophobicContact CD1-CG 4.35Å; Y944-R949 HydrophobicContact CE1-CB 3.61Å; Y944-R949 HydrophobicContact CE1-CG 3.92Å
950	L	88.6	Confident	90.6	Very high	15 Å²	15	62.3 Å²	62.3	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-48.1	-179.8	-59.9	-179.6	0	0	0	111.5	L905 V943 F945 S948 A969 K973 M976	L905-L950 HydrophobicContact CD1-CD1 4.45Å; V943-L950 HydrophobicContact CG1-CB 4.16Å; V943-L950 PolarHBondContact O-N 3.37Å; F945-L950 HydrophobicContact CB-CD1 3.58Å; F945-L950 HydrophobicContact CB-CD2 4.25Å; F945-L950 HydrophobicContact CB-CG 3.92Å; F945-L950 HydrophobicContact CG-CD1 4.46Å; S948-L950 PolarHBondContact O-N 3.22Å; L950-A969 HydrophobicContact CB-CB 3.99Å; L950-A969 HydrophobicContact CD1-CB 4.49Å; L950-K973 HydrophobicContact CD2-CG 4.38Å; L950-M976 HydrophobicContact CD2-CE 3.78Å; L950-M976 HydrophobicContact CD2-SD 4.33Å
951	A	93.4	Very high	90.5	Very high	10 Å²	10	59.6 Å²	59.6	8%	0.083	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	173.7	-178.9	0	0	0	0	0	111.7	A942 V943 T968 A969	A942-A951 WeakPolarHBondContact CA-O 3.46Å; V943-A951 HydrophobicContact CG1-CB 4.09Å; V943-A951 PolarHBondContact N-O 2.72Å; A951-T968 HydrophobicContact CB-CG2 3.82Å; A951-A969 HydrophobicContact CB-CB 3.77Å
952	V	94.5	Very high	90.4	Very high	30 Å²	30	61.1 Å²	61.1	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141	172	-177.2	0	0	0	0	107.1	K940 V941 A942 Y954	K940-V952 HydrophobicContact CD-CG1 4.25Å; K940-V952 HydrophobicContact CG-CG1 3.57Å; V941-V952 CarbonylContact O-C 3.59Å; V941-V952 WeakPolarHBondContact O-CA 3.49Å; A942-V952 HydrophobicContact CB-CG2 4.1Å; V952-Y954 HydrophobicContact CG1-CE2 4.21Å
953	G	94.8	Very high	90.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	167.3	173.3	0	0	0	0	0	112.4	K940 V941 D964	K940-G953 WeakPolarHBondContact CA-O 3.28Å; V941-G953 PolarHBondContact N-O 2.76Å; V941-G953 PolarHBondContact O-N 3.12Å; G953-D964 WeakPolarHBondContact CA-OD2 3.38Å
954	Y	95.4	Very high	90.2	Very high	121 Å²	121	66.2 Å²	66.2	48%	0.475	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.5	-171.1	-59.2	-97.7	0	0	0	110.3	V938 Y939 K940 V952 D964	V938-Y954 HydrophobicContact CG1-CD1 4.39Å; Y939-Y954 WeakPolarHBondContact O-CA 3.34Å; K940-Y954 HydrophobicContact CB-CD1 4.18Å; K940-Y954 HydrophobicContact CB-CE1 4.14Å; K940-Y954 HydrophobicContact CD-CE1 3.83Å; K940-Y954 WeakPolarHBondContact CE-OH 3.43Å; K940-Y954 HydrophobicContact CG-CD1 4.09Å; K940-Y954 HydrophobicContact CG-CE1 3.67Å; V952-Y954 HydrophobicContact CG1-CE2 4.21Å; Y954-D964 PolarHBondContact N-OD2 3.42Å
955	G	91.2	Very high	90.3	Very high	13 Å²	13	63.6 Å²	63.6	13%	0.134	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	161.5	178.9	0	0	0	0	0	113.1	Y939 S957	Y939-G955 PolarHBondContact N-O 2.71Å; Y939-G955 PolarHBondContact O-N 2.83Å; G955-S957 VanDerWaalsContact C-N 3.25Å
956	Q	87.8	Confident	90.6	Very high	163 Å²	163	63.2 Å²	63.2	76%	0.762	31%	0.308	S	S	*	.	S	Bend	trans	-75	-20.2	175.7	-64.9	-175.5	4.1	0	0	112.3	R937 Y939	R937-Q956 WeakPolarHBondContact O-CA 3.28Å; Y939-Q956 WeakPolarHBondContact CD2-O 3.35Å; Y939-Q956 WeakPolarHBondContact CE2-O 3.29Å
957	S	88.8	Confident	91	Very high	42 Å²	42	61.2 Å²	61.2	29%	0.294	30%	0.304	S	S	.	.	S	Bend	trans	-123.5	160.1	169.6	78.2	0	0	0	0	110.3	G955 K959 D960 A961	G955-S957 VanDerWaalsContact C-N 3.25Å; S957-K959 PolarHBondContact O-N 2.8Å; S957-K959 PolarHBondContact OG-N 3.18Å; S957-D960 WeakPolarHBondContact CB-OD2 3.37Å; S957-D960 PolarHBondContact O-N 2.79Å; S957-D960 PolarHBondContact OG-N 2.73Å; S957-D960 VanDerWaalsContact OG-N 3.12Å; S957-D960 PolarHBondContact OG-OD2 3.29Å; S957-A961 PolarHBondContact O-N 3.46Å
958	I	91.1	Very high	91.5	Very high	74 Å²	74	56 Å²	56	38%	0.379	28%	0.278	S	S	.	.	H	α-helix	trans	-57.2	-40.6	174	-62.3	172.1	0	0	0	110.3	Y939 V941 D960 A961 E962	Y939-I958 HydrophobicContact CD1-CD1 4.31Å; Y939-I958 HydrophobicContact CD1-CG1 3.52Å; Y939-I958 HydrophobicContact CE1-CD1 4.14Å; Y939-I958 HydrophobicContact CE1-CG1 3.73Å; Y939-I958 HydrophobicContact CG-CG1 3.99Å; V941-I958 HydrophobicContact CG2-CG2 4.46Å; I958-D960 PolarHBondContact O-N 3.02Å; I958-A961 PolarHBondContact O-N 3.25Å; I958-E962 HydrophobicContact CG2-CG 4.28Å; I958-E962 WeakPolarHBondContact O-CB 3.45Å; I958-E962 VanDerWaalsContact O-CG 3.25Å; I958-E962 WeakPolarHBondContact O-CG 3.42Å; I958-E962 PolarHBondContact O-N 2.91Å
959	K	89.4	Confident	91.6	Very high	159 Å²	159	53.2 Å²	53.2	69%	0.691	26%	0.258	S	S	*	.	H	α-helix	trans	-62.8	-43.8	179.9	-68.5	-177.2	179	-179.8	0	112	S957 E962 I963	S957-K959 PolarHBondContact O-N 2.8Å; S957-K959 PolarHBondContact OG-N 3.18Å; K959-E962 PolarHBondContact O-N 2.95Å; K959-I963 VanDerWaalsContact O-CG1 3.3Å; K959-I963 WeakPolarHBondContact O-CG1 3.49Å; K959-I963 PolarHBondContact O-N 3Å
960	D	89.3	Confident	91.4	Very high	77 Å²	77	47.2 Å²	47.2	41%	0.412	24%	0.237	S	C	.	.	H	α-helix	trans	-67	-41.5	178.4	-59.7	-45.2	0	0	0	111.1	S957 I958 E962 I963 D964	S957-D960 WeakPolarHBondContact CB-OD2 3.37Å; S957-D960 PolarHBondContact O-N 2.79Å; S957-D960 PolarHBondContact OG-N 2.73Å; S957-D960 VanDerWaalsContact OG-N 3.12Å; S957-D960 PolarHBondContact OG-OD2 3.29Å; I958-D960 PolarHBondContact O-N 3.02Å; D960-E962 VanDerWaalsContact C-N 3.32Å; D960-E962 PolarHBondContact O-N 3.24Å; D960-I963 PolarHBondContact O-N 2.7Å; D960-D964 WeakPolarHBondContact O-CB 3.29Å; D960-D964 PolarHBondContact O-N 3.35Å
961	A	93.6	Very high	91.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-36.1	176.3	0	0	0	0	0	112.5	Y939 V941 S957 I958 A965	Y939-A961 WeakPolarHBondContact O-CB 3.38Å; V941-A961 HydrophobicContact CB-CB 3.92Å; V941-A961 HydrophobicContact CG2-CB 3.54Å; S957-A961 PolarHBondContact O-N 3.46Å; I958-A961 PolarHBondContact O-N 3.25Å; A961-A965 WeakPolarHBondContact O-CB 3.47Å; A961-A965 PolarHBondContact O-N 2.8Å
962	E	94.7	Very high	90.7	Very high	33 Å²	33	55.9 Å²	55.9	15%	0.154	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-43	172.7	-75.6	178.3	165.1	0	0	112.3	K902 Y925 V941 I958 K959 D960 A965 A966	K902-E962 IonicContact NZ-OE1 2.77Å; K902-E962 IonicContact NZ-OE2 3.92Å; K902-E962 PolarHBondContact NZ-OE2 2.96Å; Y925-E962 HydrophobicContact CD1-CB 3.89Å; Y925-E962 HydrophobicContact CD1-CG 3.74Å; Y925-E962 HydrophobicContact CE1-CB 4.18Å; Y925-E962 HydrophobicContact CE1-CG 4.49Å; Y925-E962 WeakPolarHBondContact CE1-O 3.4Å; Y925-E962 HydrophobicContact CG-CB 4.41Å; Y925-E962 HydrophobicContact CG-CG 3.87Å; V941-E962 HydrophobicContact CG1-CG 3.89Å; I958-E962 HydrophobicContact CG2-CG 4.28Å; I958-E962 WeakPolarHBondContact O-CB 3.45Å; I958-E962 VanDerWaalsContact O-CG 3.25Å; I958-E962 WeakPolarHBondContact O-CG 3.42Å; I958-E962 PolarHBondContact O-N 2.91Å; K959-E962 PolarHBondContact O-N 2.95Å; D960-E962 VanDerWaalsContact C-N 3.32Å; D960-E962 PolarHBondContact O-N 3.24Å; E962-A965 PolarHBondContact O-N 2.8Å; E962-A966 WeakPolarHBondContact O-CB 3.5Å; E962-A966 PolarHBondContact O-N 3.24Å
963	I	90.8	Very high	89.8	Confident	52 Å²	52	58.5 Å²	58.5	27%	0.267	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-46.3	177.3	-72	168.2	0	0	0	110.1	P901 K959 D960 A966 E967	P901-I963 HydrophobicContact CB-CG2 4.3Å; P901-I963 HydrophobicContact CG-CG2 3.85Å; K959-I963 VanDerWaalsContact O-CG1 3.3Å; K959-I963 WeakPolarHBondContact O-CG1 3.49Å; K959-I963 PolarHBondContact O-N 3Å; D960-I963 PolarHBondContact O-N 2.7Å; I963-A966 PolarHBondContact O-N 2.82Å; I963-E967 WeakPolarHBondContact O-CB 3.34Å; I963-E967 PolarHBondContact O-N 2.78Å
964	D	92.8	Very high	88.4	Confident	55 Å²	55	59.4 Å²	59.4	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-41	177.2	-176.7	63.3	0	0	0	111.9	G953 Y954 D960 A966 E967 T968	G953-D964 WeakPolarHBondContact CA-OD2 3.38Å; Y954-D964 PolarHBondContact N-OD2 3.42Å; D960-D964 WeakPolarHBondContact O-CB 3.29Å; D960-D964 PolarHBondContact O-N 3.35Å; D964-A966 VanDerWaalsContact C-N 3.31Å; D964-A966 PolarHBondContact O-N 2.82Å; D964-E967 PolarHBondContact O-N 2.91Å; D964-T968 WeakPolarHBondContact O-CB 3.48Å; D964-T968 PolarHBondContact O-N 3.34Å; D964-T968 PolarHBondContact O-OG1 3.24Å
965	A	94.1	Very high	87	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-40.3	175.3	0	0	0	0	0	111.2	V943 A961 E962 A969	V943-A965 HydrophobicContact CB-CB 4.43Å; V943-A965 HydrophobicContact CG1-CB 4.16Å; A961-A965 WeakPolarHBondContact O-CB 3.47Å; A961-A965 PolarHBondContact O-N 2.8Å; E962-A965 PolarHBondContact O-N 2.8Å; A965-A969 WeakPolarHBondContact O-CB 3.32Å; A965-A969 PolarHBondContact O-N 3.44Å
966	A	91.8	Very high	85.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-68.4	-42.7	177.3	0	0	0	0	0	112.1	P901 K902 L905 Y925 E962 I963 D964 A969 L970	P901-A966 HydrophobicContact CB-CB 4.19Å; K902-A966 HydrophobicContact CB-CB 4.15Å; L905-A966 HydrophobicContact CB-CB 4.23Å; L905-A966 HydrophobicContact CD2-CB 3.99Å; Y925-A966 HydrophobicContact CE1-CB 4.24Å; Y925-A966 WeakPolarHBondContact OH-CB 3.38Å; E962-A966 WeakPolarHBondContact O-CB 3.5Å; E962-A966 PolarHBondContact O-N 3.24Å; I963-A966 PolarHBondContact O-N 2.82Å; D964-A966 VanDerWaalsContact C-N 3.31Å; D964-A966 PolarHBondContact O-N 2.82Å; A966-A969 PolarHBondContact O-N 3Å; A966-L970 VanDerWaalsContact O-CG 3.3Å; A966-L970 WeakPolarHBondContact O-CG 3.34Å; A966-L970 PolarHBondContact O-N 2.67Å
967	E	90.3	Very high	84.8	Confident	78 Å²	78	55.2 Å²	55.2	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-61.2	-47.2	175.3	-173.7	161.1	-152	0	0	111	P901 I963 D964 A969 L970 H971	P901-E967 HydrophobicContact CB-CB 3.92Å; P901-E967 HydrophobicContact CG-CB 4.13Å; I963-E967 WeakPolarHBondContact O-CB 3.34Å; I963-E967 PolarHBondContact O-N 2.78Å; D964-E967 PolarHBondContact O-N 2.91Å; E967-A969 VanDerWaalsContact C-N 3.3Å; E967-A969 PolarHBondContact O-N 3.03Å; E967-L970 WeakPolarHBondContact O-CB 3.5Å; E967-L970 PolarHBondContact O-N 3.38Å; E967-L970 VanDerWaalsContact O-N 3.14Å; E967-H971 PolarHBondContact O-CD2 3.13Å; E967-H971 PolarHBondContact O-N 2.88Å
968	T	91.1	Very high	83.5	Confident	46 Å²	46	53.3 Å²	53.3	28%	0.282	27%	0.271	S	S	.	.	H	α-helix	trans	-61.1	-38.9	175.5	-58.1	0	0	0	0	111.8	A951 D964 H971 T972	A951-T968 HydrophobicContact CB-CG2 3.82Å; D964-T968 WeakPolarHBondContact O-CB 3.48Å; D964-T968 PolarHBondContact O-N 3.34Å; D964-T968 PolarHBondContact O-OG1 3.24Å; T968-H971 PolarHBondContact O-N 2.65Å; T968-T972 VanDerWaalsContact O-CB 3.28Å; T968-T972 WeakPolarHBondContact O-CB 3.19Å; T968-T972 PolarHBondContact O-N 3.33Å; T968-T972 PolarHBondContact O-OG1 3.43Å
969	A	90.2	Very high	82.1	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-41.1	174.9	0	0	0	0	0	112.2	L905 V943 L950 A951 A965 A966 E967 H971 K973	L905-A969 HydrophobicContact CD1-CB 4.25Å; L905-A969 HydrophobicContact CD2-CB 3.9Å; V943-A969 HydrophobicContact CG1-CB 3.86Å; L950-A969 HydrophobicContact CB-CB 3.99Å; L950-A969 HydrophobicContact CD1-CB 4.49Å; A951-A969 HydrophobicContact CB-CB 3.77Å; A965-A969 WeakPolarHBondContact O-CB 3.32Å; A965-A969 PolarHBondContact O-N 3.44Å; A966-A969 PolarHBondContact O-N 3Å; E967-A969 VanDerWaalsContact C-N 3.3Å; E967-A969 PolarHBondContact O-N 3.03Å; A969-H971 VanDerWaalsContact C-N 3.28Å; A969-H971 PolarHBondContact O-N 3.12Å; A969-K973 PolarHBondContact O-N 2.77Å
970	L	85.2	Confident	80.6	Confident	23 Å²	23	49.9 Å²	49.9	12%	0.12	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-38.3	176.5	-72.9	171.2	0	0	0	111.8	P901 R904 L905 A966 E967 L977	P901-L970 HydrophobicContact CB-CD1 4.21Å; R904-L970 HydrophobicContact CB-CD1 3.93Å; L905-L970 HydrophobicContact CB-CD2 4.2Å; L905-L970 HydrophobicContact CB-CG 4.28Å; L905-L970 HydrophobicContact CD1-CD2 3.98Å; L905-L970 HydrophobicContact CD1-CG 4.33Å; A966-L970 VanDerWaalsContact O-CG 3.3Å; A966-L970 WeakPolarHBondContact O-CG 3.34Å; A966-L970 PolarHBondContact O-N 2.67Å; E967-L970 WeakPolarHBondContact O-CB 3.5Å; E967-L970 PolarHBondContact O-N 3.38Å; E967-L970 VanDerWaalsContact O-N 3.14Å; L970-L977 HydrophobicContact CB-CD1 4.41Å; L970-L977 HydrophobicContact CD2-CD1 3.56Å; L970-L977 HydrophobicContact CD2-CD2 4.43Å
971	H	85.1	Confident	79.1	Confident	112 Å²	112	48 Å²	48	52%	0.519	25%	0.245	S	C	.	.	H	α-helix	trans	-76.9	-51.6	176.7	-71.8	-63.5	0	0	0	113.4	E967 T968 A969 K973	E967-H971 PolarHBondContact O-CD2 3.13Å; E967-H971 PolarHBondContact O-N 2.88Å; T968-H971 PolarHBondContact O-N 2.65Å; A969-H971 VanDerWaalsContact C-N 3.28Å; A969-H971 PolarHBondContact O-N 3.12Å; H971-K973 PolarHBondContact O-N 3.46Å
972	T	82.6	Confident	77.2	Confident	94 Å²	94	51.2 Å²	51.2	58%	0.577	26%	0.257	S	S	*	.	H	α-helix	trans	-71.2	-34.5	-171	-51.6	0	0	0	0	112.5	T968	T968-T972 VanDerWaalsContact O-CB 3.28Å; T968-T972 WeakPolarHBondContact O-CB 3.19Å; T968-T972 PolarHBondContact O-N 3.33Å; T968-T972 PolarHBondContact O-OG1 3.43Å
973	K	75.2	Confident	75.2	Confident	86 Å²	86	59.8 Å²	59.8	37%	0.374	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	30	-178.3	-63.5	-68.2	-173	178.7	0	111.9	L950 A969 H971 D975 M976 L977	L950-K973 HydrophobicContact CD2-CG 4.38Å; A969-K973 PolarHBondContact O-N 2.77Å; H971-K973 PolarHBondContact O-N 3.46Å; K973-D975 PolarHBondContact O-N 2.97Å; K973-M976 HydrophobicContact CB-CB 4.34Å; K973-M976 HydrophobicContact CD-CE 4.38Å; K973-M976 WeakPolarHBondContact O-CB 3.4Å; K973-M976 PolarHBondContact O-N 3.17Å; K973-L977 PolarHBondContact O-N 3.02Å
974	A	66.7	Low	73.1	Confident	18 Å²	18	61.4 Å²	61.4	15%	0.149	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-29.3	176.8	0	0	0	0	0	113.3	M976 L977 R982	A974-M976 VanDerWaalsContact C-N 3.35Å; A974-M976 PolarHBondContact O-N 2.85Å; A974-L977 PolarHBondContact O-N 3.26Å; A974-R982 PolarHBondContact O-NE 3.01Å; A974-R982 VanDerWaalsContact O-NE 3.11Å
975	D	65.7	Low	70.5	Confident	123 Å²	123	62.1 Å²	62.1	66%	0.658	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.4	176.4	-69.8	-31.4	0	0	0	114.2	K973 L977 R982	K973-D975 PolarHBondContact O-N 2.97Å; D975-L977 VanDerWaalsContact C-N 3.33Å; D975-R982 VanDerWaalsContact C-NH2 3.33Å; D975-R982 VanDerWaalsContact CA-NH2 3.28Å; D975-R982 PolarHBondContact O-NH2 2.77Å; D975-R982 IonicContact OD1-NH2 3.75Å
976	M	66.8	Low	67.4	Low	74 Å²	74	67.7 Å²	67.7	37%	0.365	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-25.6	176.6	-155.2	-165.4	-69.1	0	0	111.6	L912 F945 L950 K973 A974	L912-M976 WeakPolarHBondContact CD1-O 3.33Å; F945-M976 HydrophobicContact CD1-SD 4.48Å; L950-M976 HydrophobicContact CD2-CE 3.78Å; L950-M976 HydrophobicContact CD2-SD 4.33Å; K973-M976 HydrophobicContact CB-CB 4.34Å; K973-M976 HydrophobicContact CD-CE 4.38Å; K973-M976 WeakPolarHBondContact O-CB 3.4Å; K973-M976 PolarHBondContact O-N 3.17Å; A974-M976 VanDerWaalsContact C-N 3.35Å; A974-M976 PolarHBondContact O-N 2.85Å
977	L	64.6	Low	64.5	Low	13 Å²	13	77.3 Å²	77.3	7%	0.068	38%	0.38	C	S	.	.	S	Bend	trans	-81.2	151.7	-171.9	-60.7	170.3	0	0	0	112.3	L905 L970 K973 A974 D975 K979	L905-L977 HydrophobicContact CD1-CD2 4.28Å; L970-L977 HydrophobicContact CB-CD1 4.41Å; L970-L977 HydrophobicContact CD2-CD1 3.56Å; L970-L977 HydrophobicContact CD2-CD2 4.43Å; K973-L977 PolarHBondContact O-N 3.02Å; A974-L977 PolarHBondContact O-N 3.26Å; D975-L977 VanDerWaalsContact C-N 3.33Å; L977-K979 PolarHBondContact O-N 3.02Å
978	P	62	Low	61.6	Low	2 Å²	2	77.6 Å²	77.6	1%	0.013	40%	0.396	C	S	.	.			trans	-54.6	138	177.7	-23.8	30.9	0	0	0	113.4	L441 A911 L912 I980 L981	L441-P978 HydrophobicContact CB-CB 3.94Å; L441-P978 HydrophobicContact CB-CG 4.16Å; L441-P978 HydrophobicContact CD2-CB 3.48Å; L441-P978 VanDerWaalsContact CD2-CB 3.48Å; L441-P978 HydrophobicContact CD2-CG 4.01Å; L441-P978 HydrophobicContact CG-CB 4.3Å; L441-P978 VanDerWaalsContact O-CA 3.3Å; L441-P978 WeakPolarHBondContact O-CA 3.49Å; A911-P978 HydrophobicContact CB-CG 3.9Å; L912-P978 HydrophobicContact CD2-CG 4.49Å; P978-I980 PolarHBondContact O-N 2.69Å; P978-L981 PolarHBondContact O-N 3.05Å
979	K	62	Low	58.5	Low	112 Å²	112	80.4 Å²	80.4	49%	0.487	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-49.7	-32.5	-179.8	-74	-176.2	-179.6	171.3	0	113.9	P443 L977 L981 R982	P443-K979 WeakPolarHBondContact O-CE 3.43Å; P443-K979 PolarHBondContact O-NZ 3.38Å; L977-K979 PolarHBondContact O-N 3.02Å; K979-L981 PolarHBondContact O-N 2.97Å; K979-R982 WeakPolarHBondContact O-CB 3.4Å; K979-R982 PolarHBondContact O-N 3.14Å
980	I	57.4	Low	55.5	Low	48 Å²	48	90.2 Å²	90.2	25%	0.246	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-57.4	-34.8	-179.4	-70.1	167	0	0	0	111.8	L441 Q578 I581 P978	L441-I980 HydrophobicContact CD2-CD1 3.71Å; Q578-I980 HydrophobicContact CB-CD1 4.24Å; Q578-I980 HydrophobicContact CG-CD1 4.45Å; I581-I980 HydrophobicContact CD1-CG2 3.66Å; P978-I980 PolarHBondContact O-N 2.69Å
981	L	58	Low	52.9	Low	38 Å²	38	97.4 Å²	97.4	20%	0.199	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-88.8	-11.7	179.9	-66	164.5	0	0	0	112.9	I577 I581 S908 P978 K979 R983	I577-L981 HydrophobicContact CD1-CD1 4.19Å; I577-L981 HydrophobicContact CD1-CD2 4.06Å; I577-L981 HydrophobicContact CD1-CG 4.4Å; I581-L981 HydrophobicContact CD1-CD2 3.91Å; S908-L981 WeakPolarHBondContact OG-CD1 3.4Å; P978-L981 PolarHBondContact O-N 3.05Å; K979-L981 PolarHBondContact O-N 2.97Å; L981-R983 PolarHBondContact O-N 3.05Å
982	R	55	Low	50.2	Low	68 Å²	68	100.5 Å²	100.5	26%	0.257	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-72.9	-10.2	179.6	-65.2	-172.7	-174.8	-175.7	0.8	114.4	A974 D975 K979 E984 T985	A974-R982 PolarHBondContact O-NE 3.01Å; A974-R982 VanDerWaalsContact O-NE 3.11Å; D975-R982 VanDerWaalsContact C-NH2 3.33Å; D975-R982 VanDerWaalsContact CA-NH2 3.28Å; D975-R982 PolarHBondContact O-NH2 2.77Å; D975-R982 IonicContact OD1-NH2 3.75Å; K979-R982 WeakPolarHBondContact O-CB 3.4Å; K979-R982 PolarHBondContact O-N 3.14Å; R982-E984 PolarHBondContact O-N 3.43Å; R982-T985 PolarHBondContact O-N 2.93Å; R982-T985 PolarHBondContact O-OG1 2.94Å
983	R	50.7	Low	47.5	Very low	212 Å²	212	101.2 Å²	101.2	80%	0.8	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-59.4	-12.9	-176	-80.9	-176.4	171.6	176.8	-2.3	113.6	L981	L981-R983 PolarHBondContact O-N 3.05Å
984	E	47.3	Very low	45.2	Very low	86 Å²	86	100.7 Å²	100.7	40%	0.402	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-82.7	-21.6	179.2	-64	-171.6	162.2	0	0	115.2	R904 R982	R904-E984 IonicContact NH1-OE1 3.91Å; R904-E984 IonicContact NH1-OE2 2.9Å; R904-E984 PolarHBondContact NH1-OE2 2.93Å; R982-E984 PolarHBondContact O-N 3.43Å
985	T	38.3	Very low	43.6	Very low	70 Å²	70	108.4 Å²	108.4	43%	0.429	56%	0.559	S	S	.	*	S	Bend	trans	-94.5	-11.6	-165.2	55	0	0	0	0	116.4	R982	R982-T985 PolarHBondContact O-N 2.93Å; R982-T985 PolarHBondContact O-OG1 2.94Å
986	C	29.4	Very low	42.1	Very low	118 Å²	118	106.2 Å²	106.2	80%	0.797	55%	0.553	S	S	*	*	S	Bend	trans	-104.6	11.6	-171.3	-67	0	0	0	0	116
987	K	30.6	Very low	40.6	Very low	201 Å²	201	106 Å²	106	87%	0.874	55%	0.554	S	S	*	*			trans	-129.2	44.9	173.3	-70	-169.3	178.9	-176.1	0	112.9
988	A	28.9	Very low	39.1	Very low	84 Å²	84	109 Å²	109	69%	0.694	58%	0.581	S	S	*	*			trans	-84.5	119	157.6	0	0	0	0	0	108	K990	A988-K990 PolarHBondContact O-N 2.74Å
989	P	26.7	Very low	37.7	Very low	105 Å²	105	116.3 Å²	116.3	68%	0.682	61%	0.614	S	S	*	*			trans	-60.9	130.6	164.2	25.8	-29.8	0	0	0	107.3	R991	P989-R991 VanDerWaalsContact C-N 3.35Å; P989-R991 PolarHBondContact O-N 2.87Å
990	K	26.8	Very low	36.4	Very low	208 Å²	208	117.7 Å²	117.7	90%	0.904	62%	0.621	S	S	*	*			trans	-51.2	102.5	167.7	-76.5	179.4	174.5	-177.9	0	107.3	A988 E992	A988-K990 PolarHBondContact O-N 2.74Å; K990-E992 PolarHBondContact O-N 2.85Å
991	R	30.1	Very low	35.3	Very low	173 Å²	173	121.3 Å²	121.3	65%	0.653	63%	0.634	S	S	*	*			trans	-81	95.2	166.7	-84.8	-172.5	167.8	143	6.7	106.2	P989 A993	P989-R991 VanDerWaalsContact C-N 3.35Å; P989-R991 PolarHBondContact O-N 2.87Å; R991-A993 PolarHBondContact O-N 3.05Å
992	E	28.5	Very low	34.1	Very low	177 Å²	177	127.3 Å²	127.3	83%	0.827	66%	0.659	S	S	*	*			trans	-57.7	124.3	151.6	-74.2	177.5	170.6	0	0	107.1	K990 S994	K990-E992 PolarHBondContact O-N 2.85Å; E992-S994 PolarHBondContact O-N 2.89Å; E992-S994 VanDerWaalsContact O-N 3.11Å
993	A	26.8	Very low	33	Very low	109 Å²	109	131 Å²	131	90%	0.901	68%	0.677	S	S	*	*			trans	-63.4	109.9	175.3	0	0	0	0	0	108.4	R991	R991-A993 PolarHBondContact O-N 3.05Å
994	S	28	Very low	32.1	Very low	75 Å²	75	125.8 Å²	125.8	52%	0.524	67%	0.669	S	S	.	*			trans	-131.8	130.6	156.7	64.8	0	0	0	0	107.5	E992 S996	E992-S994 PolarHBondContact O-N 2.89Å; E992-S994 VanDerWaalsContact O-N 3.11Å; S994-S996 PolarHBondContact O-N 3.41Å
995	D	33	Very low	31.5	Very low	181 Å²	181	125.7 Å²	125.7	97%	0.968	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	18.4	-175.1	-86.4	-39.8	0	0	0	115
996	S	34.1	Very low	31.1	Very low	76 Å²	76	124.4 Å²	124.4	53%	0.531	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.4	-10.1	-177.9	67.2	0	0	0	0	114.9	S994	S994-S996 PolarHBondContact O-N 3.41Å
997	D	33.7	Very low	31.1	Very low	71 Å²	71	122.6 Å²	122.6	38%	0.38	66%	0.658	S	S	.	*	H	α-helix	trans	-87.3	-11.8	-175.1	-99.3	-6.8	0	0	0	114.8	E999 K1000 K1001	D997-E999 PolarHBondContact O-N 3.33Å; D997-K1000 PolarHBondContact O-N 2.8Å; D997-K1001 PolarHBondContact O-N 3.26Å
998	A	33.8	Very low	31.2	Very low	76 Å²	76	119.6 Å²	119.6	63%	0.628	65%	0.65	S	S	*	*	H	α-helix	trans	-65	-28.6	174.9	0	0	0	0	0	112.1
999	E	33.1	Very low	31.3	Very low	154 Å²	154	120.2 Å²	120.2	72%	0.72	65%	0.649	S	S	*	*	H	α-helix	trans	-84.2	-26.6	-178	-141.8	160.3	-156.3	0	0	112.8	D997 K1003	D997-E999 PolarHBondContact O-N 3.33Å; E999-K1003 PolarHBondContact O-N 2.97Å
1000	K	34.2	Very low	31.6	Very low	142 Å²	142	125.5 Å²	125.5	62%	0.617	66%	0.656	S	S	*	*	H	α-helix	trans	-76.9	-30.6	172.6	-79	178.6	-179.2	168.5	0	113.2	D997 K1002 K1003 V1004	D997-K1000 PolarHBondContact O-N 2.8Å; K1000-K1002 VanDerWaalsContact C-N 3.35Å; K1000-K1003 PolarHBondContact O-N 3.49Å; K1000-K1003 VanDerWaalsContact O-N 3.16Å; K1000-V1004 PolarHBondContact O-N 2.89Å
1001	K	34.8	Very low	31.9	Very low	123 Å²	123	120.8 Å²	120.8	54%	0.535	64%	0.644	S	S	.	*	H	α-helix	trans	-67.4	-33.8	172.1	-79.7	-177.1	-179.1	172.8	0	112.7	D997 K1003 V1004	D997-K1001 PolarHBondContact O-N 3.26Å; K1001-K1003 VanDerWaalsContact C-N 3.29Å; K1001-K1003 PolarHBondContact O-N 2.92Å; K1001-V1004 PolarHBondContact O-N 2.88Å
1002	K	33.2	Very low	32	Very low	165 Å²	165	121.8 Å²	121.8	72%	0.717	65%	0.649	S	S	*	*	H	α-helix	trans	-64.6	-32.6	169.7	-78.9	-177.4	174.5	179.5	0	112.4	K1000 S1006	K1000-K1002 VanDerWaalsContact C-N 3.35Å; K1002-S1006 PolarHBondContact O-N 2.76Å
1003	K	31.4	Very low	32.3	Very low	145 Å²	145	118.4 Å²	118.4	63%	0.63	64%	0.635	S	S	*	*	H	α-helix	trans	-71.5	-32	177.7	-85.3	-179.7	175.3	174.7	0	114.7	E999 K1000 K1001 S1006 C1007	E999-K1003 PolarHBondContact O-N 2.97Å; K1000-K1003 PolarHBondContact O-N 3.49Å; K1000-K1003 VanDerWaalsContact O-N 3.16Å; K1001-K1003 VanDerWaalsContact C-N 3.29Å; K1001-K1003 PolarHBondContact O-N 2.92Å; K1003-S1006 WeakPolarHBondContact CA-OG 3.37Å; K1003-S1006 PolarHBondContact O-N 3.23Å; K1003-S1006 PolarHBondContact O-OG 3.39Å; K1003-C1007 PolarHBondContact O-N 3.3Å; K1003-C1007 PolarHBondContact O-SG 3.04Å; K1003-C1007 VanDerWaalsContact O-SG 3.4Å
1004	V	32.4	Very low	32.4	Very low	103 Å²	103	120 Å²	120	62%	0.624	63%	0.629	S	S	*	*	H	α-helix	trans	-73.9	-32.2	177.2	-178.5	0	0	0	0	111.8	K1000 K1001	K1000-V1004 PolarHBondContact O-N 2.89Å; K1001-V1004 PolarHBondContact O-N 2.88Å
1005	C	32.9	Very low	32.5	Very low	84 Å²	84	120.2 Å²	120.2	57%	0.568	62%	0.623	S	S	*	*	H	α-helix	trans	-67.1	-35.9	165.8	-85.7	0	0	0	0	112	C1007 I1008 S1009	C1005-C1007 VanDerWaalsContact C-N 3.29Å; C1005-C1007 PolarHBondContact O-N 3.1Å; C1005-I1008 PolarHBondContact O-N 3.47Å; C1005-S1009 PolarHBondContact O-N 2.75Å
1006	S	29.9	Very low	32.3	Very low	42 Å²	42	116.4 Å²	116.4	29%	0.294	61%	0.611	S	S	.	*	H	α-helix	trans	-71.6	-18.8	177.7	79.9	0	0	0	0	115	K1002 K1003 S1009 R1010	K1002-S1006 PolarHBondContact O-N 2.76Å; K1003-S1006 WeakPolarHBondContact CA-OG 3.37Å; K1003-S1006 PolarHBondContact O-N 3.23Å; K1003-S1006 PolarHBondContact O-OG 3.39Å; S1006-S1009 WeakPolarHBondContact CA-OG 3.27Å; S1006-S1009 PolarHBondContact O-OG 3.13Å; S1006-S1009 VanDerWaalsContact O-OG 3.13Å; S1006-R1010 PolarHBondContact O-N 2.92Å
1007	C	30.1	Very low	32	Very low	80 Å²	80	124.2 Å²	124.2	54%	0.541	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81	-17.5	175.5	-72.8	0	0	0	0	112.6	K1003 C1005 V1011	K1003-C1007 PolarHBondContact O-N 3.3Å; K1003-C1007 PolarHBondContact O-SG 3.04Å; K1003-C1007 VanDerWaalsContact O-SG 3.4Å; C1005-C1007 VanDerWaalsContact C-N 3.29Å; C1005-C1007 PolarHBondContact O-N 3.1Å; C1007-V1011 VanDerWaalsContact O-CG2 3.27Å; C1007-V1011 WeakPolarHBondContact O-CG2 3.43Å
1008	I	33.3	Very low	31.9	Very low	138 Å²	138	126.9 Å²	126.9	71%	0.708	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-30.5	172.4	-63	175.3	0	0	0	110	C1005 R1010	C1005-I1008 PolarHBondContact O-N 3.47Å; I1008-R1010 VanDerWaalsContact C-N 3.32Å; I1008-R1010 PolarHBondContact O-N 2.98Å
1009	S	31.6	Very low	31.8	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-2.7	175.1	58.2	0	0	0	0	115.4	C1005 S1006	C1005-S1009 PolarHBondContact O-N 2.75Å; S1006-S1009 WeakPolarHBondContact CA-OG 3.27Å; S1006-S1009 PolarHBondContact O-OG 3.13Å; S1006-S1009 VanDerWaalsContact O-OG 3.13Å
1010	R	31.6	Very low	31.8	Very low	216 Å²	216	128.2 Å²	128.2	82%	0.815	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-1.9	177.2	-86	-178	172.1	179.6	-2	114.8	S1006 I1008 Y1012	S1006-R1010 PolarHBondContact O-N 2.92Å; I1008-R1010 VanDerWaalsContact C-N 3.32Å; I1008-R1010 PolarHBondContact O-N 2.98Å; R1010-Y1012 PolarHBondContact O-N 2.96Å
1011	V	33	Very low	31.6	Very low	108 Å²	108	127.4 Å²	127.4	66%	0.655	66%	0.655	S	S	*	*	S	Bend	trans	-99	86	177.1	179	0	0	0	0	107.8	C1007	C1007-V1011 VanDerWaalsContact O-CG2 3.27Å; C1007-V1011 WeakPolarHBondContact O-CG2 3.43Å
1012	Y	32	Very low	31.4	Very low	195 Å²	195	127.6 Å²	127.6	77%	0.765	66%	0.662	S	S	*	*			trans	59.6	81	156	-65.9	-92.1	0	0	0	117.9	R1010	R1010-Y1012 PolarHBondContact O-N 2.96Å
1013	I	36.3	Very low	31.3	Very low	105 Å²	105	125.1 Å²	125.1	54%	0.538	66%	0.659	S	S	.	*			trans	-104.5	82.9	137.1	-59.8	174.6	0	0	0	105.4	I752	I752-I1013 WeakPolarHBondContact O-CG2 3.37Å
1014	N	27.6	Very low	31.3	Very low	143 Å²	143	123.7 Å²	123.7	77%	0.765	66%	0.661	S	S	*	*			trans	-129	78.5	156.8	-111	-18.3	0	0	0	103.7	S1016	N1014-S1016 PolarHBondContact O-N 3.46Å; N1014-S1016 VanDerWaalsContact O-N 3.07Å
1015	I	31.3	Very low	31.2	Very low	79 Å²	79	125.3 Å²	125.3	41%	0.405	66%	0.664	S	S	.	*			trans	-78.2	78	164.6	-56.4	173.7	0	0	0	104.4	I754 L879	I754-I1015 HydrophobicContact CG1-CD1 4.4Å; L879-I1015 HydrophobicContact CD2-CD1 4.36Å
1016	S	27.5	Very low	31.1	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	67%	0.672	S	S	*	*			trans	-90	130.2	156.7	178	0	0	0	0	105.8	N1014	N1014-S1016 PolarHBondContact O-N 3.46Å; N1014-S1016 VanDerWaalsContact O-N 3.07Å
1017	M	28.6	Very low	31.2	Very low	240 Å²	240	136.6 Å²	136.6	100%	1.182	71%	0.706	S	S	*	*			trans	-41.3	0	162	-75.5	176	163.2	0	0	111.4

Retrieved 1,017 of 1,017 residues in 307.7 ms (Link to these results)

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