A0A087YKK7_POEFO Loading...

phosphatidylinositol-3,5-bisphosphate 3-phosphatase

AlphaFold DB , UniProt , Accession A0A087YKK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,159 aa.

						>A0A087YKK7_POEFO|A0A087YKK7
MAGNMGEEGPPSLEYIKAKDLFPQKDLVKEDESLQVPFPVLQGEGVEYLGRADEAIIAISNYRLHIKFKDSVINVPLRLVESVESRDMFQLHIICKDSKVVRCHFATFKQCQEWAKRLNRVIAHPSRLEDLFALAYHAWCLGASADDEDQHVHLCRPGDHVRHRMEMEVRRMGFDTQNVWRVSDINCNYKLCSSYPQKLLVPIWITDKELESVASFRSWKRIPVVVYRHQKNGAVIARCSQPEISWWGWRNTDDEYLVTSIAKACHMDTGAKGTATVRQRGEAPDSCDSDFDSSLTGGSGCDDSTVPQKLLILDARSYTAAVANRAKGGGCECEEYYPNCEVMFMGMANIHAIRNSFQALRAVCSQIPDPGNWLSALESTRWLQHLSVMLKAATLVCGAVEREGRPVLVHCSDGWDRTPQIVALAKVLLDPYYRTLEGFQVLVETDWLDYGHKFGDRCGHQENADDVSEQCPVFLQWLDCVHQLLKQFPCLFEFNEAFLVKLVQHTYSCLYGTFLCNNAREREAKNIYKRTCSVWSLLRAGNKNFQNFLYVPGHDVVLQPVCHTRALQLWTAVYLPTSSPCTAVDESVELYLPPCAAGDELTSRSLDRLPKTRSMDNLLSALENGLPLTRTSSDPNLNKHCQEGRPAPEPSAGADDPSAGRSEDNPTEEAPLPAAGPGVDENHKSGSGAEEEPCLTTQPLPSPPLPPVCDSPTDSQAAFVTPVLHQASPQTPSPLPPPSPPLEVESPGGSPEPASPSHKPEPCLPLPCKNTQPAANDSTLLTNDDGEADRLPPPGALLAARQQTASMDDSTETLTDEGEPPPASFPLLHQSRSSDDESPQKDKDRSRTEPAKGRGRTPTDSAAHTDSVLRPLTSQLSDLPLLSSPWDSVPGLGQSSFRHPGGYQSRRLPGKLLRSQGFAAASGSQCCRREALCCSSAARSLSYSLAAHQLLPASYSSPSASSSPPPPHAPAYLDDDGLPVPLDAVQQRLRQIEAGYKQEVEVLRQQVRQLQMRLESKQFSTPPSEPDVDYEDDITCLRESDNSNEEDSLSTHSEDRLSEGSWDRVEPKDTEVTRWVPDHMASHCFNCDCEFWIAKRRHHCRNCGNVFCKDCCHLKLPIPDQQLYDPVLVCNTCHDHLLESRTREIRSQQLKKAIATASS
					

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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	45.9	Very low	39.2	Very low	252 Å²	252	141.2 Å²	141.2	100%	1.241	86%	0.864	S	S	*	*				0	122.2	0	-76.7	176.4	168.1	0	0	108
2	A	34.7	Very low	39.7	Very low	106 Å²	106	138.1 Å²	138.1	88%	0.876	85%	0.853	S	S	*	*			trans	-157.3	137.9	161.9	0	0	0	0	0	105.8
3	G	35.9	Very low	40	Very low	81 Å²	81	140.1 Å²	140.1	84%	0.835	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-87.8	146.6	178.3	0	0	0	0	0	110.9
4	N	39	Very low	40.3	Very low	166 Å²	166	142.5 Å²	142.5	89%	0.888	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-100.5	119.3	175.1	-150.2	47.4	0	0	0	108.5
5	M	39.2	Very low	41.5	Very low	186 Å²	186	147.3 Å²	147.3	92%	0.916	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-86.3	129.7	165.7	-77.1	179.5	166.4	0	0	108.2
6	G	36.4	Very low	43	Very low	71 Å²	71	145.5 Å²	145.5	73%	0.732	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-89.9	139.6	165.3	0	0	0	0	0	109.4
7	E	37.9	Very low	45	Very low	200 Å²	200	144.5 Å²	144.5	94%	0.935	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-77.6	127.3	174.2	-63.7	176.3	124.9	0	0	109.6	G9	E7-G9 PolarHBondContact O-N 3.22Å
8	E	40.7	Very low	46.8	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-71.9	116.4	165.8	-70.8	-177.3	130.7	0	0	108.4
9	G	41.2	Very low	48.5	Very low	60 Å²	60	135.9 Å²	135.9	62%	0.619	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-63.7	155	168.8	0	0	0	0	0	111.1	E7	E7-G9 PolarHBondContact O-N 3.22Å
10	P	37.2	Very low	50.3	Low	124 Å²	124	133.3 Å²	133.3	81%	0.805	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-59	146.7	178.3	26.3	-34.6	0	0	0	110.9	S12	P10-S12 PolarHBondContact O-N 3.16Å
11	P	43.2	Very low	51.8	Low	123 Å²	123	131.7 Å²	131.7	80%	0.799	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-58.9	137.2	-178.9	25.1	-34.5	0	0	0	110.5	L13	P11-L13 PolarHBondContact O-N 3.09Å
12	S	45	Very low	53.8	Low	104 Å²	104	121.3 Å²	121.3	73%	0.727	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-54.9	128.9	177.3	52.9	0	0	0	0	110.8	P10 E14	P10-S12 PolarHBondContact O-N 3.16Å; S12-E14 PolarHBondContact O-N 3.31Å
13	L	43.3	Very low	56.2	Low	164 Å²	164	120.6 Å²	120.6	86%	0.859	67%	0.671	S	S	*	*			trans	-54.4	110.7	168.7	-77.8	162.6	0	0	0	108.7	P11 Y15	P11-L13 PolarHBondContact O-N 3.09Å; L13-Y15 PolarHBondContact O-N 3.47Å
14	E	44.8	Very low	58.6	Low	174 Å²	174	121.2 Å²	121.2	81%	0.813	65%	0.653	S	S	*	*			trans	-63	120.7	171.9	-67.6	-168.7	133.8	0	0	108.2	S12 I16	S12-E14 PolarHBondContact O-N 3.31Å; E14-I16 VanDerWaalsContact C-N 3.31Å; E14-I16 PolarHBondContact O-N 3.02Å
15	Y	57.4	Low	60.8	Low	215 Å²	215	119.5 Å²	119.5	84%	0.843	64%	0.637	S	S	*	*			trans	-66	92	173.4	-77	-92.7	0	0	0	109.2	L13 K17	L13-Y15 PolarHBondContact O-N 3.47Å; Y15-K17 VanDerWaalsContact O-CG 3.26Å; Y15-K17 WeakPolarHBondContact O-CG 3.47Å; Y15-K17 PolarHBondContact O-N 2.97Å; Y15-K17 VanDerWaalsContact O-N 3.14Å
16	I	66.6	Low	63.2	Low	118 Å²	118	117.9 Å²	117.9	61%	0.605	63%	0.632	S	S	*	*			trans	-58.1	115.6	177	-45	178.1	0	0	0	108	E14 D20 L21	E14-I16 VanDerWaalsContact C-N 3.31Å; E14-I16 PolarHBondContact O-N 3.02Å; I16-D20 HydrophobicContact CG2-CB 4.03Å; I16-L21 HydrophobicContact CG2-CD2 3.82Å; I16-L21 HydrophobicContact CG2-CG 3.78Å
17	K	76	Confident	65.9	Low	129 Å²	129	117.8 Å²	117.8	56%	0.561	62%	0.615	S	S	*	*			trans	-83.7	158	-171.2	-50.1	-175	178.9	-177.6	0	109.7	Y15 K19 D20 L21	Y15-K17 VanDerWaalsContact O-CG 3.26Å; Y15-K17 WeakPolarHBondContact O-CG 3.47Å; Y15-K17 PolarHBondContact O-N 2.97Å; Y15-K17 VanDerWaalsContact O-N 3.14Å; K17-K19 HydrophobicContact CB-CG 3.99Å; K17-K19 PolarHBondContact O-N 3.29Å; K17-K19 VanDerWaalsContact O-N 3.12Å; K17-D20 WeakPolarHBondContact CB-OD2 3.45Å; K17-D20 WeakPolarHBondContact CG-OD2 3.36Å; K17-D20 PolarHBondContact N-OD2 3.13Å; K17-D20 WeakPolarHBondContact O-CA 3.49Å; K17-D20 WeakPolarHBondContact O-CB 3.41Å; K17-D20 PolarHBondContact O-N 2.7Å; K17-L21 PolarHBondContact O-N 3.01Å
18	A	78.9	Confident	68.6	Low	14 Å²	14	111.7 Å²	111.7	12%	0.116	59%	0.591	C	S	.	*	H	α-helix	trans	-51.8	-39.1	179.6	0	0	0	0	0	113.1	D20 L21 F22 A138 W139	A18-D20 VanDerWaalsContact C-N 3.29Å; A18-D20 PolarHBondContact O-N 3.49Å; A18-L21 PolarHBondContact O-N 3.03Å; A18-F22 WeakPolarHBondContact O-CA 3.48Å; A18-F22 PolarHBondContact O-N 3.5Å; A18-A138 VanDerWaalsContact CB-C 3.46Å; A18-A138 HydrophobicContact CB-CB 4.11Å; A18-A138 VanDerWaalsContact CB-O 3.22Å; A18-A138 WeakPolarHBondContact CB-O 3.49Å; A18-W139 HydrophobicContact CB-CB 4.33Å; A18-W139 HydrophobicContact CB-CD2 4.16Å; A18-W139 HydrophobicContact CB-CG 3.84Å; A18-W139 PolarHBondContact O-NE1 2.84Å
19	K	79.2	Confident	71.2	Confident	111 Å²	111	105.9 Å²	105.9	48%	0.483	56%	0.563	S	S	.	*	H	α-helix	trans	-67.4	-20	175.2	59.8	155.4	-170.7	102.4	0	115.5	K17 P23 W139	K17-K19 HydrophobicContact CB-CG 3.99Å; K17-K19 PolarHBondContact O-N 3.29Å; K17-K19 VanDerWaalsContact O-N 3.12Å; K19-P23 VanDerWaalsContact O-CA 3.27Å; K19-P23 WeakPolarHBondContact O-CA 3.34Å; K19-W139 HydrophobicContact CB-CH2 3.74Å; K19-W139 HydrophobicContact CB-CZ2 3.57Å
20	D	83.3	Confident	73.6	Confident	83 Å²	83	106.3 Å²	106.3	44%	0.444	55%	0.549	S	S	.	.	H	α-helix	trans	-91.1	-30.5	-178.9	-48.5	-40	0	0	0	110	I16 K17 A18	I16-D20 HydrophobicContact CG2-CB 4.03Å; K17-D20 WeakPolarHBondContact CB-OD2 3.45Å; K17-D20 WeakPolarHBondContact CG-OD2 3.36Å; K17-D20 PolarHBondContact N-OD2 3.13Å; K17-D20 WeakPolarHBondContact O-CA 3.49Å; K17-D20 WeakPolarHBondContact O-CB 3.41Å; K17-D20 PolarHBondContact O-N 2.7Å; A18-D20 VanDerWaalsContact C-N 3.29Å; A18-D20 PolarHBondContact O-N 3.49Å
21	L	82.8	Confident	76	Confident	101 Å²	101	102.9 Å²	102.9	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-79.1	-41	169.6	-67.1	173.9	0	0	0	113	I16 K17 A18	I16-L21 HydrophobicContact CG2-CD2 3.82Å; I16-L21 HydrophobicContact CG2-CG 3.78Å; K17-L21 PolarHBondContact O-N 3.01Å; A18-L21 PolarHBondContact O-N 3.03Å
22	F	87.6	Confident	78.3	Confident	34 Å²	34	104 Å²	104	15%	0.149	52%	0.518	C	S	.	.	S	Bend	trans	-128.8	72.6	-175.8	-58.3	-80.6	0	0	0	109.7	A18 E129 L134 A135 A138 W139	A18-F22 WeakPolarHBondContact O-CA 3.48Å; A18-F22 PolarHBondContact O-N 3.5Å; F22-E129 HydrophobicContact CE1-CB 4.18Å; F22-E129 HydrophobicContact CE1-CG 4.42Å; F22-L134 HydrophobicContact CE1-CB 4.06Å; F22-L134 HydrophobicContact CZ-CB 3.76Å; F22-A135 HydrophobicContact CB-CB 3.91Å; F22-A135 HydrophobicContact CD1-CB 3.72Å; F22-A135 HydrophobicContact CD2-CB 4.44Å; F22-A135 HydrophobicContact CE1-CB 4.36Å; F22-A135 HydrophobicContact CG-CB 3.77Å; F22-A138 HydrophobicContact CD2-CB 3.68Å; F22-A138 HydrophobicContact CE2-CB 3.66Å; F22-W139 PolarHBondContact O-NE1 2.91Å
23	P	85.3	Confident	80.5	Confident	90 Å²	90	102.8 Å²	102.8	58%	0.584	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-65.7	135.2	177.1	27.3	-34.6	0	0	0	110.9	K19	K19-P23 VanDerWaalsContact O-CA 3.27Å; K19-P23 WeakPolarHBondContact O-CA 3.34Å
24	Q	84.9	Confident	82.8	Confident	94 Å²	94	95.2 Å²	95.2	44%	0.439	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-69.8	138.3	168.9	-69.6	173.7	-35	0	0	109.2	E44 W139	Q24-E44 PolarHBondContact NE2-O 3.28Å; Q24-W139 HydrophobicContact CG-CH2 4.36Å; Q24-W139 HydrophobicContact CG-CZ2 4.08Å
25	K	86.6	Confident	85.1	Confident	130 Å²	130	94.7 Å²	94.7	57%	0.565	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-77.8	153.8	174.6	-51.5	-156.8	-168.7	88	0	110.8	E47	K25-E47 HydrophobicContact CB-CG 4.24Å; K25-E47 WeakPolarHBondContact CD-OE2 3.35Å; K25-E47 HydrophobicContact CG-CG 4.47Å; K25-E47 IonicContact NZ-OE1 3.29Å; K25-E47 PolarHBondContact NZ-OE1 3.1Å; K25-E47 IonicContact NZ-OE2 2.78Å; K25-E47 PolarHBondContact NZ-OE2 3Å
26	D	89	Confident	86.7	Confident	152 Å²	152	86.9 Å²	86.9	81%	0.813	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-61.3	136.6	173.4	-63	-57.1	0	0	0	111.7	V28	D26-V28 PolarHBondContact O-N 2.95Å
27	L	93.9	Very high	87.8	Confident	70 Å²	70	82.8 Å²	82.8	37%	0.366	42%	0.423	S	S	.	.			trans	-73.6	111.9	179.2	170.6	59.3	0	0	0	111.2	K29 V36 V46 L49	L27-K29 HydrophobicContact CD2-CG 4.32Å; L27-K29 HydrophobicContact CG-CG 4.13Å; L27-V36 HydrophobicContact CD2-CG2 4.24Å; L27-V46 WeakPolarHBondContact CA-O 3.36Å; L27-V46 WeakPolarHBondContact CB-O 3.47Å; L27-V46 HydrophobicContact CD1-CB 4.08Å; L27-V46 HydrophobicContact CD1-CG1 3.77Å; L27-V46 WeakPolarHBondContact CD1-O 3.24Å; L27-L49 HydrophobicContact CD1-CB 3.83Å
28	V	94.6	Very high	88.6	Confident	71 Å²	71	77.7 Å²	77.7	43%	0.43	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	109.7	172.1	-177.7	0	0	0	0	110	D26 E47 Y48 L49	D26-V28 PolarHBondContact O-N 2.95Å; V28-E47 WeakPolarHBondContact CB-O 3.47Å; V28-E47 PolarHBondContact N-O 2.99Å; V28-Y48 HydrophobicContact CB-CD1 3.82Å; V28-Y48 HydrophobicContact CB-CE1 4.07Å; V28-Y48 HydrophobicContact CG1-CD1 4.22Å; V28-Y48 HydrophobicContact CG1-CE1 4.42Å; V28-Y48 HydrophobicContact CG2-CD1 4.39Å; V28-Y48 HydrophobicContact CG2-CE1 4.16Å; V28-Y48 WeakPolarHBondContact O-CA 3.48Å; V28-L49 PolarHBondContact O-N 3.16Å
29	K	93.6	Very high	89.3	Confident	63 Å²	63	82 Å²	82	27%	0.274	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	148.3	171.6	-59.7	-175.5	-170.1	165.9	0	112	L27 E32 L34 L49	L27-K29 HydrophobicContact CD2-CG 4.32Å; L27-K29 HydrophobicContact CG-CG 4.13Å; K29-E32 WeakPolarHBondContact CD-OE2 3.45Å; K29-E32 PolarHBondContact NZ-O 3.24Å; K29-E32 IonicContact NZ-OE2 3.2Å; K29-E32 PolarHBondContact NZ-OE2 3.33Å; K29-L34 VanDerWaalsContact CE-O 3.29Å; K29-L34 WeakPolarHBondContact CE-O 3.44Å; K29-L34 PolarHBondContact NZ-O 2.99Å; K29-L49 CarbonylContact C-O 3.1Å; K29-L49 WeakPolarHBondContact CA-O 3.32Å; K29-L49 HydrophobicContact CG-CD2 4.44Å
30	E	92.2	Very high	89.9	Confident	69 Å²	69	80.2 Å²	80.2	32%	0.322	43%	0.426	S	S	.	.	S	Bend	trans	-86.3	-17.3	165.7	-58.5	-168.2	144.4	0	0	113.1	L49 G50 R51 W114 R117	E30-L49 PolarHBondContact N-O 2.88Å; E30-G50 WeakPolarHBondContact OE2-CA 3.17Å; E30-R51 PolarHBondContact OE2-N 3.22Å; E30-W114 VanDerWaalsContact CD-NE1 3.3Å; E30-W114 PolarHBondContact OE1-NE1 3.07Å; E30-W114 PolarHBondContact OE2-NE1 2.92Å; E30-W114 VanDerWaalsContact OE2-NE1 3.12Å; E30-R117 IonicContact OE1-CZ 3.28Å; E30-R117 IonicContact OE1-NH1 2.76Å; E30-R117 PolarHBondContact OE1-NH1 3.37Å; E30-R117 IonicContact OE1-NH2 2.77Å; E30-R117 PolarHBondContact OE1-NH2 3.17Å
31	D	88.6	Confident	90.3	Very high	52 Å²	52	78.9 Å²	78.9	28%	0.278	42%	0.419	S	S	.	.	S	Bend	trans	-154.7	121.8	-174.9	163.2	7.4	0	0	0	108	S33 L34 R51	D31-S33 PolarHBondContact O-N 3.49Å; D31-S33 WeakPolarHBondContact OD1-CB 3.39Å; D31-S33 PolarHBondContact OD1-N 2.88Å; D31-S33 PolarHBondContact OD1-OG 2.92Å; D31-S33 PolarHBondContact OD2-OG 2.79Å; D31-L34 HydrophobicContact CB-CD1 3.92Å; D31-L34 HydrophobicContact CB-CG 3.97Å; D31-L34 VanDerWaalsContact O-CB 3.32Å; D31-L34 WeakPolarHBondContact O-CB 3.34Å; D31-L34 WeakPolarHBondContact O-CG 3.33Å; D31-L34 PolarHBondContact O-N 3.06Å; D31-R51 IonicContact OD2-CZ 2.69Å; D31-R51 IonicContact OD2-NE 3.2Å; D31-R51 PolarHBondContact OD2-NE 3Å; D31-R51 IonicContact OD2-NH2 2.81Å; D31-R51 PolarHBondContact OD2-NH2 3.04Å
32	E	90.9	Very high	90.7	Very high	146 Å²	146	78.7 Å²	78.7	68%	0.682	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.2	-174.9	-76.5	-55.8	150.2	0	0	114.3	K29 L34	K29-E32 WeakPolarHBondContact CD-OE2 3.45Å; K29-E32 PolarHBondContact NZ-O 3.24Å; K29-E32 IonicContact NZ-OE2 3.2Å; K29-E32 PolarHBondContact NZ-OE2 3.33Å; E32-L34 PolarHBondContact O-N 2.98Å
33	S	91.4	Very high	90.8	Very high	79 Å²	79	77.2 Å²	77.2	55%	0.552	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.4	175.7	72.2	0	0	0	0	113.3	D31 R51	D31-S33 PolarHBondContact O-N 3.49Å; D31-S33 WeakPolarHBondContact OD1-CB 3.39Å; D31-S33 PolarHBondContact OD1-N 2.88Å; D31-S33 PolarHBondContact OD1-OG 2.92Å; D31-S33 PolarHBondContact OD2-OG 2.79Å; S33-R51 PolarHBondContact OG-NH2 2.74Å
34	L	91.9	Very high	91.3	Very high	5 Å²	5	73 Å²	73	3%	0.026	38%	0.382	C	S	.	.			trans	-72	137.7	178	-64	173.8	0	0	0	111.9	K29 D31 E32 L49 R51 I56	K29-L34 VanDerWaalsContact CE-O 3.29Å; K29-L34 WeakPolarHBondContact CE-O 3.44Å; K29-L34 PolarHBondContact NZ-O 2.99Å; D31-L34 HydrophobicContact CB-CD1 3.92Å; D31-L34 HydrophobicContact CB-CG 3.97Å; D31-L34 VanDerWaalsContact O-CB 3.32Å; D31-L34 WeakPolarHBondContact O-CB 3.34Å; D31-L34 WeakPolarHBondContact O-CG 3.33Å; D31-L34 PolarHBondContact O-N 3.06Å; E32-L34 PolarHBondContact O-N 2.98Å; L34-L49 HydrophobicContact CB-CD2 3.7Å; L34-L49 HydrophobicContact CB-CG 3.91Å; L34-L49 HydrophobicContact CD1-CG 4.16Å; L34-R51 HydrophobicContact CD1-CG 4.19Å; L34-R51 HydrophobicContact CD2-CG 4.07Å; L34-I56 HydrophobicContact CD2-CD1 4.47Å; L34-I56 HydrophobicContact CD2-CG1 4.47Å
35	Q	91.4	Very high	91.7	Very high	162 Å²	162	68.8 Å²	68.8	76%	0.757	36%	0.364	S	S	*	.			trans	-120.2	152.9	170.7	-60	-176.3	6.7	0	0	109	P37	Q35-P37 WeakPolarHBondContact O-CD 3.23Å
36	V	91.9	Very high	92.1	Very high	51 Å²	51	63.2 Å²	63.2	31%	0.309	34%	0.341	S	S	.	.			trans	-65.6	120	178.1	177.3	0	0	0	0	109	L27 F38 V46 L49	L27-V36 HydrophobicContact CD2-CG2 4.24Å; V36-F38 VanDerWaalsContact C-N 3.28Å; V36-F38 HydrophobicContact CG1-CD1 3.87Å; V36-F38 HydrophobicContact CG1-CD2 4.43Å; V36-F38 HydrophobicContact CG1-CE1 3.7Å; V36-F38 HydrophobicContact CG1-CE2 4.31Å; V36-F38 HydrophobicContact CG1-CG 4.24Å; V36-F38 HydrophobicContact CG1-CZ 3.95Å; V36-F38 WeakPolarHBondContact CG1-O 3.38Å; V36-F38 PolarHBondContact O-N 3.39Å; V36-V46 HydrophobicContact CG1-CG2 3.75Å; V36-V46 HydrophobicContact CG2-CB 4.11Å; V36-V46 HydrophobicContact CG2-CG1 4.33Å; V36-V46 HydrophobicContact CG2-CG2 3.9Å; V36-L49 HydrophobicContact CG2-CD2 4.32Å
37	P	90.1	Very high	92.4	Very high	32 Å²	32	56.7 Å²	56.7	21%	0.208	31%	0.305	C	S	.	.			trans	-87	14.4	-168.1	32.8	-34.1	0	0	0	114.9	Q35 I56 K67	Q35-P37 WeakPolarHBondContact O-CD 3.23Å; P37-I56 HydrophobicContact CG-CB 4.39Å; P37-I56 HydrophobicContact CG-CG2 3.94Å; P37-K67 HydrophobicContact CB-CD 3.72Å; P37-K67 HydrophobicContact CG-CB 4.45Å; P37-K67 HydrophobicContact CG-CD 4.47Å
38	F	92.3	Very high	92.6	Very high	22 Å²	22	55.3 Å²	55.3	10%	0.096	30%	0.296	C	S	.	.	S	Bend	trans	-150.6	153.9	-174.5	60.7	-85.8	0	0	0	112.4	V36 V40 V46 A58 H65	V36-F38 VanDerWaalsContact C-N 3.28Å; V36-F38 HydrophobicContact CG1-CD1 3.87Å; V36-F38 HydrophobicContact CG1-CD2 4.43Å; V36-F38 HydrophobicContact CG1-CE1 3.7Å; V36-F38 HydrophobicContact CG1-CE2 4.31Å; V36-F38 HydrophobicContact CG1-CG 4.24Å; V36-F38 HydrophobicContact CG1-CZ 3.95Å; V36-F38 WeakPolarHBondContact CG1-O 3.38Å; V36-F38 PolarHBondContact O-N 3.39Å; F38-V40 HydrophobicContact CE2-CG1 4.09Å; F38-V46 HydrophobicContact CE2-CG2 4.32Å; F38-V46 HydrophobicContact CZ-CG2 3.78Å; F38-A58 HydrophobicContact CE1-CB 3.84Å; F38-A58 HydrophobicContact CZ-CB 4.44Å; F38-H65 HydrophobicContact CD1-CB 3.91Å; F38-H65 AromaticContact CD1-CD2 3.39Å; F38-H65 WeakPolarHBondContact CD1-CD2 3.45Å; F38-H65 AromaticContact CD1-CE1 3.72Å; F38-H65 AromaticContact CD1-CG 3.38Å; F38-H65 AromaticContact CD1-ND1 3.6Å; F38-H65 AromaticContact CD1-NE2 3.61Å; F38-H65 HydrophobicContact CE1-CB 3.59Å; F38-H65 AromaticContact CE1-CD2 3.81Å; F38-H65 AromaticContact CE1-CG 3.61Å; F38-H65 AromaticContact CG-CE1 3.83Å; F38-H65 AromaticContact CG-CG 3.99Å; F38-H65 AromaticContact CG-ND1 3.74Å; F38-H65 HydrophobicContact CZ-CB 4.02Å
39	P	93.1	Very high	92.7	Very high	104 Å²	104	51.9 Å²	51.9	68%	0.675	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-72	134.3	171.2	29.9	-34.3	0	0	0	111.2	R63	P39-R63 PolarHBondContact O-NH2 3.47Å
40	V	92.8	Very high	92.7	Very high	75 Å²	75	48.9 Å²	48.9	46%	0.455	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-84.7	149.1	175.8	-67.2	0	0	0	0	111.8	F38 E44 V46	F38-V40 HydrophobicContact CE2-CG1 4.09Å; V40-E44 WeakPolarHBondContact CA-OE2 3.45Å; V40-E44 HydrophobicContact CB-CB 4.07Å; V40-E44 HydrophobicContact CB-CG 4.16Å; V40-E44 HydrophobicContact CG1-CG 4.22Å; V40-V46 HydrophobicContact CG1-CG2 3.98Å
41	L	92.4	Very high	92.8	Very high	54 Å²	54	51 Å²	51	28%	0.283	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-75.9	168.5	170.8	-58.7	179.2	0	0	0	111.6	G43 E44 Y62 F132 Y136 L510	L41-G43 PolarHBondContact O-N 2.91Å; L41-E44 HydrophobicContact CB-CB 3.99Å; L41-E44 PolarHBondContact N-OE2 3.27Å; L41-E44 VanDerWaalsContact O-CB 3.31Å; L41-E44 WeakPolarHBondContact O-CB 3.44Å; L41-E44 PolarHBondContact O-N 2.83Å; L41-Y62 HydrophobicContact CD1-CD1 3.74Å; L41-Y62 HydrophobicContact CD1-CE1 3.62Å; L41-F132 HydrophobicContact CB-CZ 4.34Å; L41-F132 HydrophobicContact CD1-CE1 4.18Å; L41-Y136 HydrophobicContact CB-CD2 4.35Å; L41-Y136 HydrophobicContact CB-CE2 4.31Å; L41-L510 HydrophobicContact CD1-CD1 3.96Å
42	Q	89.9	Confident	92.9	Very high	98 Å²	98	49 Å²	49	46%	0.458	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	129.9	172	-65.1	-60.3	-12.8	0	0	110.7	E44 F132 Y136 W139	Q42-E44 PolarHBondContact O-N 3.24Å; Q42-F132 WeakPolarHBondContact O-CZ 3.29Å; Q42-Y136 HydrophobicContact CB-CD2 4.36Å; Q42-Y136 HydrophobicContact CB-CE2 4.38Å; Q42-Y136 WeakPolarHBondContact O-CD2 3.23Å; Q42-W139 HydrophobicContact CB-CB 4.16Å
43	G	90.6	Very high	92.7	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.021	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	-2.7	-173.3	0	0	0	0	0	115.4	L41 N61	L41-G43 PolarHBondContact O-N 2.91Å; G43-N61 PolarHBondContact O-ND2 2.89Å
44	E	94.6	Very high	92.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.257	C	S	.	.			trans	-78.8	126.6	174.8	-177.4	178.8	-161.2	0	0	110.4	Q24 V40 L41 Q42 S60 N61 R63 F132	Q24-E44 PolarHBondContact NE2-O 3.28Å; V40-E44 WeakPolarHBondContact CA-OE2 3.45Å; V40-E44 HydrophobicContact CB-CB 4.07Å; V40-E44 HydrophobicContact CB-CG 4.16Å; V40-E44 HydrophobicContact CG1-CG 4.22Å; L41-E44 HydrophobicContact CB-CB 3.99Å; L41-E44 PolarHBondContact N-OE2 3.27Å; L41-E44 VanDerWaalsContact O-CB 3.31Å; L41-E44 WeakPolarHBondContact O-CB 3.44Å; L41-E44 PolarHBondContact O-N 2.83Å; Q42-E44 PolarHBondContact O-N 3.24Å; E44-S60 VanDerWaalsContact OE1-CB 3.26Å; E44-S60 WeakPolarHBondContact OE1-CB 3.47Å; E44-S60 PolarHBondContact OE1-OG 3.14Å; E44-N61 VanDerWaalsContact CA-OD1 3.25Å; E44-N61 WeakPolarHBondContact CA-OD1 3.44Å; E44-R63 WeakPolarHBondContact OE1-CG 3.17Å; E44-R63 IonicContact OE1-CZ 2.72Å; E44-R63 IonicContact OE1-NE 3.5Å; E44-R63 PolarHBondContact OE1-NE 2.86Å; E44-R63 IonicContact OE1-NH2 2.91Å; E44-R63 IonicContact OE2-CZ 3.24Å; E44-R63 IonicContact OE2-NE 2.86Å; E44-R63 PolarHBondContact OE2-NE 3.47Å; E44-R63 IonicContact OE2-NH2 3.27Å; E44-R63 PolarHBondContact OE2-NH2 2.68Å; E44-F132 HydrophobicContact CB-CE2 4.04Å; E44-F132 HydrophobicContact CB-CZ 3.79Å
45	G	94.4	Very high	92.4	Very high	7 Å²	7	50.4 Å²	50.4	7%	0.072	26%	0.26	C	S	.	.			trans	-126.1	135.9	174.4	0	0	0	0	0	110.2	S60 N61	G45-S60 CarbonylContact O-C 3.53Å; G45-S60 WeakPolarHBondContact O-CA 3.38Å; G45-S60 WeakPolarHBondContact O-CB 3.06Å; G45-N61 PolarHBondContact N-OD1 2.87Å; G45-N61 PolarHBondContact O-N 3.23Å; G45-N61 PolarHBondContact O-OD1 3.42Å
46	V	95.6	Very high	92.6	Very high	13 Å²	13	44.8 Å²	44.8	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.5	177.6	-173.6	0	0	0	0	109.2	L27 V36 F38 V40 A58	L27-V46 WeakPolarHBondContact CA-O 3.36Å; L27-V46 WeakPolarHBondContact CB-O 3.47Å; L27-V46 HydrophobicContact CD1-CB 4.08Å; L27-V46 HydrophobicContact CD1-CG1 3.77Å; L27-V46 WeakPolarHBondContact CD1-O 3.24Å; V36-V46 HydrophobicContact CG1-CG2 3.75Å; V36-V46 HydrophobicContact CG2-CB 4.11Å; V36-V46 HydrophobicContact CG2-CG1 4.33Å; V36-V46 HydrophobicContact CG2-CG2 3.9Å; F38-V46 HydrophobicContact CE2-CG2 4.32Å; F38-V46 HydrophobicContact CZ-CG2 3.78Å; V40-V46 HydrophobicContact CG1-CG2 3.98Å; V46-A58 HydrophobicContact CG1-CB 4.19Å
47	E	94.9	Very high	92.7	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.065	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-34.9	-175.5	-50.5	-166.5	180	0	0	111.8	K25 V28 I59 N61	K25-E47 HydrophobicContact CB-CG 4.24Å; K25-E47 WeakPolarHBondContact CD-OE2 3.35Å; K25-E47 HydrophobicContact CG-CG 4.47Å; K25-E47 IonicContact NZ-OE1 3.29Å; K25-E47 PolarHBondContact NZ-OE1 3.1Å; K25-E47 IonicContact NZ-OE2 2.78Å; K25-E47 PolarHBondContact NZ-OE2 3Å; V28-E47 WeakPolarHBondContact CB-O 3.47Å; V28-E47 PolarHBondContact N-O 2.99Å; E47-I59 PolarHBondContact N-O 2.89Å; E47-N61 WeakPolarHBondContact OE1-CB 3.45Å
48	Y	96.5	Very high	93.1	Very high	41 Å²	41	40.8 Å²	40.8	16%	0.161	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.2	-179	-58.4	-75.7	0	0	0	111.5	V28 A58 I59 R117	V28-Y48 HydrophobicContact CB-CD1 3.82Å; V28-Y48 HydrophobicContact CB-CE1 4.07Å; V28-Y48 HydrophobicContact CG1-CD1 4.22Å; V28-Y48 HydrophobicContact CG1-CE1 4.42Å; V28-Y48 HydrophobicContact CG2-CD1 4.39Å; V28-Y48 HydrophobicContact CG2-CE1 4.16Å; V28-Y48 WeakPolarHBondContact O-CA 3.48Å; Y48-A58 CarbonylContact O-C 3.57Å; Y48-A58 VanDerWaalsContact O-CA 3.23Å; Y48-A58 WeakPolarHBondContact O-CA 3.34Å; Y48-I59 HydrophobicContact CD2-CB 4.29Å; Y48-I59 HydrophobicContact CD2-CD1 4.41Å; Y48-I59 HydrophobicContact CD2-CG2 4.32Å; Y48-I59 PolarHBondContact N-O 3.18Å; Y48-I59 VanDerWaalsContact N-O 3.16Å; Y48-I59 PolarHBondContact O-N 3.49Å; Y48-R117 HydrophobicContact CD1-CG 4.29Å; Y48-R117 HydrophobicContact CD2-CB 4.43Å; Y48-R117 HydrophobicContact CD2-CG 4.44Å; Y48-R117 HydrophobicContact CE1-CG 4.26Å; Y48-R117 HydrophobicContact CE2-CG 4.4Å; Y48-R117 HydrophobicContact CG-CG 4.4Å
49	L	96.8	Very high	93.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	127	178.5	178.5	64.4	0	0	0	111.1	L27 V28 K29 E30 L34 V36 I56 A58	L27-L49 HydrophobicContact CD1-CB 3.83Å; V28-L49 PolarHBondContact O-N 3.16Å; K29-L49 CarbonylContact C-O 3.1Å; K29-L49 WeakPolarHBondContact CA-O 3.32Å; K29-L49 HydrophobicContact CG-CD2 4.44Å; E30-L49 PolarHBondContact N-O 2.88Å; L34-L49 HydrophobicContact CB-CD2 3.7Å; L34-L49 HydrophobicContact CB-CG 3.91Å; L34-L49 HydrophobicContact CD1-CG 4.16Å; V36-L49 HydrophobicContact CG2-CD2 4.32Å; L49-I56 HydrophobicContact CD1-CG2 3.65Å; L49-A58 HydrophobicContact CD1-CB 3.87Å
50	G	95.3	Very high	93.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	-167.2	-176	0	0	0	0	0	114.5	E30 I57	E30-G50 WeakPolarHBondContact OE2-CA 3.17Å; G50-I57 PolarHBondContact N-O 2.85Å; G50-I57 PolarHBondContact O-N 3.11Å
51	R	92.9	Very high	93.5	Very high	114 Å²	114	33.4 Å²	33.4	43%	0.43	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.9	-175.7	-63.1	-178.2	-173.3	-92.2	2.4	111.7	E30 D31 S33 L34	E30-R51 PolarHBondContact OE2-N 3.22Å; D31-R51 IonicContact OD2-CZ 2.69Å; D31-R51 IonicContact OD2-NE 3.2Å; D31-R51 PolarHBondContact OD2-NE 3Å; D31-R51 IonicContact OD2-NH2 2.81Å; D31-R51 PolarHBondContact OD2-NH2 3.04Å; S33-R51 PolarHBondContact OG-NH2 2.74Å; L34-R51 HydrophobicContact CD1-CG 4.19Å; L34-R51 HydrophobicContact CD2-CG 4.07Å
52	A	91.3	Very high	93.7	Very high	10 Å²	10	31.9 Å²	31.9	8%	0.083	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	169.8	158.7	0	0	0	0	0	108.9	E54 A55 I57 C103 H104 F105	A52-E54 VanDerWaalsContact C-N 3.3Å; A52-E54 PolarHBondContact O-N 2.78Å; A52-A55 HydrophobicContact CB-CB 4.09Å; A52-A55 PolarHBondContact N-O 3.25Å; A52-A55 PolarHBondContact O-N 3Å; A52-A55 VanDerWaalsContact O-O 3.11Å; A52-I57 HydrophobicContact CB-CG2 4.35Å; A52-C103 WeakPolarHBondContact CB-SG 3.33Å; A52-H104 WeakPolarHBondContact CA-O 3.48Å; A52-H104 VanDerWaalsContact CB-O 3.25Å; A52-H104 WeakPolarHBondContact CB-O 3.41Å; A52-F105 HydrophobicContact CB-CD1 4.34Å; A52-F105 HydrophobicContact CB-CE1 4.21Å
53	D	86	Confident	94	Very high	97 Å²	97	27.7 Å²	27.7	52%	0.519	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-40.1	-166.1	-130.7	32.4	0	0	0	113.6	H104 A106	D53-H104 HydrophobicContact CB-CB 4.11Å; D53-H104 PolarHBondContact N-O 2.86Å; D53-A106 WeakPolarHBondContact OD1-CA 3.29Å; D53-A106 VanDerWaalsContact OD1-CB 3.29Å; D53-A106 WeakPolarHBondContact OD1-CB 3.4Å; D53-A106 PolarHBondContact OD1-N 3.39Å; D53-A106 VanDerWaalsContact OD1-N 3.08Å
54	E	85.8	Confident	94.3	Very high	150 Å²	150	27.7 Å²	27.7	70%	0.701	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.6	30.7	175.7	-74.6	-68.4	172.1	0	0	111.6	A52	A52-E54 VanDerWaalsContact C-N 3.3Å; A52-E54 PolarHBondContact O-N 2.78Å
55	A	92.4	Very high	94.3	Very high	11 Å²	11	27.8 Å²	27.8	9%	0.091	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	154.6	-177.6	0	0	0	0	0	115.1	A52 I66 K67 F68	A52-A55 HydrophobicContact CB-CB 4.09Å; A52-A55 PolarHBondContact N-O 3.25Å; A52-A55 PolarHBondContact O-N 3Å; A52-A55 VanDerWaalsContact O-O 3.11Å; A55-I66 HydrophobicContact CB-CG2 3.78Å; A55-K67 CarbonylContact C-O 3.59Å; A55-K67 WeakPolarHBondContact CA-O 3.32Å; A55-K67 VanDerWaalsContact CB-O 3.28Å; A55-K67 WeakPolarHBondContact CB-O 3.38Å; A55-F68 HydrophobicContact CB-CD1 3.68Å; A55-F68 HydrophobicContact CB-CE1 3.93Å; A55-F68 HydrophobicContact CB-CG 4.07Å
56	I	94.2	Very high	94.4	Very high	44 Å²	44	27.5 Å²	27.5	23%	0.226	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.4	163	-57.5	176.1	0	0	0	107.9	L34 P37 L49 I66 K67	L34-I56 HydrophobicContact CD2-CD1 4.47Å; L34-I56 HydrophobicContact CD2-CG1 4.47Å; P37-I56 HydrophobicContact CG-CB 4.39Å; P37-I56 HydrophobicContact CG-CG2 3.94Å; L49-I56 HydrophobicContact CD1-CG2 3.65Å; I56-I66 WeakPolarHBondContact O-CA 3.36Å; I56-K67 PolarHBondContact N-O 3.11Å; I56-K67 PolarHBondContact O-N 2.94Å
57	I	95.8	Very high	94.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.6	178.6	-178.3	167.9	0	0	0	110.2	G50 A52 L64 I66 F105 W114	G50-I57 PolarHBondContact N-O 2.85Å; G50-I57 PolarHBondContact O-N 3.11Å; A52-I57 HydrophobicContact CB-CG2 4.35Å; I57-L64 HydrophobicContact CD1-CD1 3.97Å; I57-L64 HydrophobicContact CG1-CD1 3.83Å; I57-I66 HydrophobicContact CD1-CD1 4.36Å; I57-I66 HydrophobicContact CD1-CG1 4.34Å; I57-I66 HydrophobicContact CG1-CG1 4.17Å; I57-F105 HydrophobicContact CD1-CZ 4.02Å; I57-F105 HydrophobicContact CG2-CE1 4.24Å; I57-W114 HydrophobicContact CB-CZ3 4.5Å; I57-W114 HydrophobicContact CD1-CD2 4.17Å; I57-W114 HydrophobicContact CD1-CE3 3.73Å; I57-W114 HydrophobicContact CD1-CZ3 4.17Å; I57-W114 HydrophobicContact CG1-CD2 4.46Å; I57-W114 HydrophobicContact CG1-CE3 3.86Å; I57-W114 HydrophobicContact CG1-CH2 4.31Å; I57-W114 HydrophobicContact CG1-CZ3 3.76Å; I57-W114 HydrophobicContact CG2-CD2 4.06Å; I57-W114 HydrophobicContact CG2-CE3 4.24Å; I57-W114 HydrophobicContact CG2-CH2 4.01Å; I57-W114 HydrophobicContact CG2-CZ2 3.83Å; I57-W114 HydrophobicContact CG2-CZ3 4.2Å; I57-W114 WeakPolarHBondContact O-CH2 3.43Å
58	A	96.7	Very high	94	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.9	-177.3	0	0	0	0	0	112	F38 V46 Y48 L49 L64 H65	F38-A58 HydrophobicContact CE1-CB 3.84Å; F38-A58 HydrophobicContact CZ-CB 4.44Å; V46-A58 HydrophobicContact CG1-CB 4.19Å; Y48-A58 CarbonylContact O-C 3.57Å; Y48-A58 VanDerWaalsContact O-CA 3.23Å; Y48-A58 WeakPolarHBondContact O-CA 3.34Å; L49-A58 HydrophobicContact CD1-CB 3.87Å; A58-L64 WeakPolarHBondContact O-CD1 3.32Å; A58-H65 PolarHBondContact N-O 2.88Å; A58-H65 PolarHBondContact O-N 3.08Å
59	I	97.1	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.7	173.1	-69.1	160.2	0	0	0	107.7	E47 Y48 L64 L77 W114 R117 L118 V121	E47-I59 PolarHBondContact N-O 2.89Å; Y48-I59 HydrophobicContact CD2-CB 4.29Å; Y48-I59 HydrophobicContact CD2-CD1 4.41Å; Y48-I59 HydrophobicContact CD2-CG2 4.32Å; Y48-I59 PolarHBondContact N-O 3.18Å; Y48-I59 VanDerWaalsContact N-O 3.16Å; Y48-I59 PolarHBondContact O-N 3.49Å; I59-L64 HydrophobicContact CG1-CD1 4.18Å; I59-L77 HydrophobicContact CG2-CD1 4.38Å; I59-W114 HydrophobicContact CD1-CE3 3.84Å; I59-W114 HydrophobicContact CD1-CZ3 3.58Å; I59-W114 HydrophobicContact CG1-CZ3 3.91Å; I59-R117 HydrophobicContact CD1-CB 4.1Å; I59-L118 HydrophobicContact CD1-CD2 3.76Å; I59-L118 HydrophobicContact CD1-CG 3.79Å; I59-L118 HydrophobicContact CG1-CD2 4.01Å; I59-V121 HydrophobicContact CG2-CG1 4.24Å; I59-V121 HydrophobicContact CG2-CG2 3.9Å
60	S	96.2	Very high	93	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	172.7	163.4	68.3	0	0	0	0	111.4	E44 G45 Y62 R63 L77	E44-S60 VanDerWaalsContact OE1-CB 3.26Å; E44-S60 WeakPolarHBondContact OE1-CB 3.47Å; E44-S60 PolarHBondContact OE1-OG 3.14Å; G45-S60 CarbonylContact O-C 3.53Å; G45-S60 WeakPolarHBondContact O-CA 3.38Å; G45-S60 WeakPolarHBondContact O-CB 3.06Å; S60-Y62 PolarHBondContact O-N 3.32Å; S60-Y62 VanDerWaalsContact O-N 3.08Å; S60-Y62 PolarHBondContact OG-N 3.23Å; S60-Y62 VanDerWaalsContact OG-N 3.16Å; S60-R63 PolarHBondContact N-O 3.05Å; S60-R63 WeakPolarHBondContact OG-CG 3.28Å; S60-R63 PolarHBondContact OG-N 2.89Å; S60-R63 PolarHBondContact OG-O 2.85Å; S60-L77 VanDerWaalsContact O-CD1 3.25Å; S60-L77 WeakPolarHBondContact O-CD1 3.48Å
61	N	94.1	Very high	92.7	Very high	45 Å²	45	42.5 Å²	42.5	24%	0.241	21%	0.205	C	C	.	.	S	Bend	trans	-60.9	-6.1	166.4	62.9	-19	0	0	0	114.2	G43 E44 G45 E47	G43-N61 PolarHBondContact O-ND2 2.89Å; E44-N61 VanDerWaalsContact CA-OD1 3.25Å; E44-N61 WeakPolarHBondContact CA-OD1 3.44Å; G45-N61 PolarHBondContact N-OD1 2.87Å; G45-N61 PolarHBondContact O-N 3.23Å; G45-N61 PolarHBondContact O-OD1 3.42Å; E47-N61 WeakPolarHBondContact OE1-CB 3.45Å
62	Y	95.9	Very high	92.6	Very high	22 Å²	22	40.5 Å²	40.5	9%	0.086	21%	0.206	C	C	.	.	S	Bend	trans	-113.9	-45.2	177	175	-128.8	0	0	0	114.1	L41 S60 P76 L77 F132 S508 L510	L41-Y62 HydrophobicContact CD1-CD1 3.74Å; L41-Y62 HydrophobicContact CD1-CE1 3.62Å; S60-Y62 PolarHBondContact O-N 3.32Å; S60-Y62 VanDerWaalsContact O-N 3.08Å; S60-Y62 PolarHBondContact OG-N 3.23Å; S60-Y62 VanDerWaalsContact OG-N 3.16Å; Y62-P76 HydrophobicContact CE2-CB 4.04Å; Y62-P76 HydrophobicContact CE2-CG 4.45Å; Y62-P76 CarbonylContact O-C 3.51Å; Y62-P76 WeakPolarHBondContact O-CA 3.25Å; Y62-L77 PolarHBondContact O-N 3.08Å; Y62-F132 HydrophobicContact CD1-CD1 4.4Å; Y62-F132 HydrophobicContact CD1-CE1 4.26Å; Y62-F132 HydrophobicContact CD2-CB 3.96Å; Y62-F132 AromaticContact CD2-CD1 3.27Å; Y62-F132 HydrophobicContact CD2-CD1 3.27Å; Y62-F132 AromaticContact CD2-CE1 3.93Å; Y62-F132 HydrophobicContact CD2-CE1 3.93Å; Y62-F132 AromaticContact CD2-CG 3.7Å; Y62-F132 HydrophobicContact CD2-CG 3.7Å; Y62-F132 AromaticContact CE2-CD1 3.98Å; Y62-F132 HydrophobicContact CE2-CD1 3.98Å; Y62-F132 AromaticContact CG-CD1 3.54Å; Y62-F132 HydrophobicContact CG-CD1 3.54Å; Y62-F132 AromaticContact CG-CE1 3.75Å; Y62-F132 HydrophobicContact CG-CE1 3.75Å; Y62-F132 AromaticContact CG-CG 3.97Å; Y62-F132 HydrophobicContact CG-CG 3.97Å; Y62-F132 HydrophobicContact CG-CZ 4.37Å; Y62-S508 WeakPolarHBondContact CE2-O 3.42Å; Y62-L510 HydrophobicContact CE2-CB 3.92Å; Y62-L510 HydrophobicContact CE2-CD1 4.34Å
63	R	96.2	Very high	92.6	Very high	11 Å²	11	40.7 Å²	40.7	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.5	-167.4	53.2	175.2	158.3	164.5	-7.9	113.9	P39 E44 S60 N74 V75	P39-R63 PolarHBondContact O-NH2 3.47Å; E44-R63 WeakPolarHBondContact OE1-CG 3.17Å; E44-R63 IonicContact OE1-CZ 2.72Å; E44-R63 IonicContact OE1-NE 3.5Å; E44-R63 PolarHBondContact OE1-NE 2.86Å; E44-R63 IonicContact OE1-NH2 2.91Å; E44-R63 IonicContact OE2-CZ 3.24Å; E44-R63 IonicContact OE2-NE 2.86Å; E44-R63 PolarHBondContact OE2-NE 3.47Å; E44-R63 IonicContact OE2-NH2 3.27Å; E44-R63 PolarHBondContact OE2-NH2 2.68Å; S60-R63 PolarHBondContact N-O 3.05Å; S60-R63 WeakPolarHBondContact OG-CG 3.28Å; S60-R63 PolarHBondContact OG-N 2.89Å; S60-R63 PolarHBondContact OG-O 2.85Å; R63-N74 PolarHBondContact NH1-OD1 3.31Å; R63-V75 CarbonylContact C-O 3.53Å; R63-V75 VanDerWaalsContact CA-O 3.27Å; R63-V75 WeakPolarHBondContact CA-O 3.37Å; R63-V75 WeakPolarHBondContact CB-O 3.47Å
64	L	96.7	Very high	92.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.7	155.1	170.3	60.9	0	0	0	108.6	I57 A58 I59 I66 V75 L77 I93 L118	I57-L64 HydrophobicContact CD1-CD1 3.97Å; I57-L64 HydrophobicContact CG1-CD1 3.83Å; A58-L64 WeakPolarHBondContact O-CD1 3.32Å; I59-L64 HydrophobicContact CG1-CD1 4.18Å; L64-I66 HydrophobicContact CD1-CD1 4.43Å; L64-I66 HydrophobicContact CD1-CG1 4.01Å; L64-I66 HydrophobicContact CD2-CD1 4.33Å; L64-I66 HydrophobicContact CG-CD1 4.45Å; L64-I66 HydrophobicContact CG-CG1 4.19Å; L64-V75 HydrophobicContact CB-CB 4.47Å; L64-V75 PolarHBondContact N-O 3.48Å; L64-V75 PolarHBondContact O-N 2.96Å; L64-L77 HydrophobicContact CB-CD2 4.25Å; L64-I93 HydrophobicContact CD2-CD1 3.79Å; L64-I93 HydrophobicContact CD2-CG1 4.1Å; L64-I93 HydrophobicContact CD2-CG2 4.24Å; L64-L118 HydrophobicContact CB-CD2 4.37Å; L64-L118 HydrophobicContact CD1-CD2 4.3Å; L64-L118 HydrophobicContact CD2-CD1 4.29Å; L64-L118 HydrophobicContact CD2-CD2 4.05Å; L64-L118 HydrophobicContact CG-CD2 4.48Å
65	H	96.1	Very high	93.4	Very high	4 Å²	4	32 Å²	32	2%	0.019	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.2	172.9	-178.2	99.1	0	0	0	109.6	F38 A58 V72 I73 N74	F38-H65 HydrophobicContact CD1-CB 3.91Å; F38-H65 AromaticContact CD1-CD2 3.39Å; F38-H65 WeakPolarHBondContact CD1-CD2 3.45Å; F38-H65 AromaticContact CD1-CE1 3.72Å; F38-H65 AromaticContact CD1-CG 3.38Å; F38-H65 AromaticContact CD1-ND1 3.6Å; F38-H65 AromaticContact CD1-NE2 3.61Å; F38-H65 HydrophobicContact CE1-CB 3.59Å; F38-H65 AromaticContact CE1-CD2 3.81Å; F38-H65 AromaticContact CE1-CG 3.61Å; F38-H65 AromaticContact CG-CE1 3.83Å; F38-H65 AromaticContact CG-CG 3.99Å; F38-H65 AromaticContact CG-ND1 3.74Å; F38-H65 HydrophobicContact CZ-CB 4.02Å; A58-H65 PolarHBondContact N-O 2.88Å; A58-H65 PolarHBondContact O-N 3.08Å; H65-V72 WeakPolarHBondContact CE1-CG1 3.36Å; H65-I73 WeakPolarHBondContact CA-O 3.44Å; H65-N74 PolarHBondContact ND1-OD1 3.2Å
66	I	94.9	Very high	93.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.5	174.8	-49.4	179.6	0	0	0	108.2	A55 I56 I57 L64 F68 V72 I73 I93 V101 C103	A55-I66 HydrophobicContact CB-CG2 3.78Å; I56-I66 WeakPolarHBondContact O-CA 3.36Å; I57-I66 HydrophobicContact CD1-CD1 4.36Å; I57-I66 HydrophobicContact CD1-CG1 4.34Å; I57-I66 HydrophobicContact CG1-CG1 4.17Å; L64-I66 HydrophobicContact CD1-CD1 4.43Å; L64-I66 HydrophobicContact CD1-CG1 4.01Å; L64-I66 HydrophobicContact CD2-CD1 4.33Å; L64-I66 HydrophobicContact CG-CD1 4.45Å; L64-I66 HydrophobicContact CG-CG1 4.19Å; I66-F68 HydrophobicContact CB-CE2 4.24Å; I66-F68 HydrophobicContact CG2-CD2 4.1Å; I66-F68 HydrophobicContact CG2-CE1 4.43Å; I66-F68 HydrophobicContact CG2-CE2 3.55Å; I66-F68 HydrophobicContact CG2-CZ 3.74Å; I66-V72 WeakPolarHBondContact O-CA 3.38Å; I66-I73 HydrophobicContact CB-CB 4.43Å; I66-I73 PolarHBondContact N-O 2.69Å; I66-I73 PolarHBondContact O-N 3.28Å; I66-I93 HydrophobicContact CD1-CD1 4.41Å; I66-V101 HydrophobicContact CD1-CG1 3.94Å; I66-C103 HydrophobicContact CD1-CB 4.26Å
67	K	93.6	Very high	93.6	Very high	90 Å²	90	30.7 Å²	30.7	39%	0.391	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	106.6	176	177.8	171.1	-173.9	173.1	0	109.7	P37 A55 I56 V72	P37-K67 HydrophobicContact CB-CD 3.72Å; P37-K67 HydrophobicContact CG-CB 4.45Å; P37-K67 HydrophobicContact CG-CD 4.47Å; A55-K67 CarbonylContact C-O 3.59Å; A55-K67 WeakPolarHBondContact CA-O 3.32Å; A55-K67 VanDerWaalsContact CB-O 3.28Å; A55-K67 WeakPolarHBondContact CB-O 3.38Å; I56-K67 PolarHBondContact N-O 3.11Å; I56-K67 PolarHBondContact O-N 2.94Å; K67-V72 HydrophobicContact CB-CG2 4.49Å; K67-V72 HydrophobicContact CG-CG2 4.17Å
68	F	89.9	Confident	93.5	Very high	40 Å²	40	32.3 Å²	32.3	18%	0.175	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	179.8	167	-59.6	-89.4	0	0	0	109.8	A55 I66 D70 S71 I73	A55-F68 HydrophobicContact CB-CD1 3.68Å; A55-F68 HydrophobicContact CB-CE1 3.93Å; A55-F68 HydrophobicContact CB-CG 4.07Å; I66-F68 HydrophobicContact CB-CE2 4.24Å; I66-F68 HydrophobicContact CG2-CD2 4.1Å; I66-F68 HydrophobicContact CG2-CE1 4.43Å; I66-F68 HydrophobicContact CG2-CE2 3.55Å; I66-F68 HydrophobicContact CG2-CZ 3.74Å; F68-D70 PolarHBondContact O-N 2.92Å; F68-S71 PolarHBondContact N-O 2.81Å; F68-I73 HydrophobicContact CE2-CD1 3.83Å; F68-I73 HydrophobicContact CE2-CG1 4.22Å
69	K	86.5	Confident	93.5	Very high	124 Å²	124	32.6 Å²	32.6	54%	0.539	16%	0.164	S	C	.	.	S	Bend	trans	-56.4	-49.5	176.8	-171.2	179.8	177.6	177.9	0	112.7	L892 G893	K69-L892 PolarHBondContact NZ-O 3.15Å; K69-G893 PolarHBondContact NZ-O 3.3Å
70	D	85.9	Confident	93.4	Very high	82 Å²	82	32.9 Å²	32.9	44%	0.439	17%	0.166	S	C	.	.	S	Bend	trans	-119.8	4.1	-171.7	-59.1	-80.4	0	0	0	113.7	F68 V889	F68-D70 PolarHBondContact O-N 2.92Å; D70-V889 WeakPolarHBondContact O-CG1 3.41Å
71	S	88.3	Confident	93.2	Very high	46 Å²	46	36.3 Å²	36.3	32%	0.322	18%	0.182	S	C	.	.			trans	-145.3	157.4	179.8	72.8	0	0	0	0	113.8	F68	F68-S71 PolarHBondContact N-O 2.81Å
72	V	90.3	Very high	93.2	Very high	73 Å²	73	36 Å²	36	44%	0.442	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.3	-178	179.5	0	0	0	0	110.2	H65 I66 K67	H65-V72 WeakPolarHBondContact CE1-CG1 3.36Å; I66-V72 WeakPolarHBondContact O-CA 3.38Å; K67-V72 HydrophobicContact CB-CG2 4.49Å; K67-V72 HydrophobicContact CG-CG2 4.17Å
73	I	91.4	Very high	93.1	Very high	14 Å²	14	35.4 Å²	35.4	7%	0.072	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.4	176.4	-56.2	-175.4	0	0	0	108.8	H65 I66 F68 V75 V101	H65-I73 WeakPolarHBondContact CA-O 3.44Å; I66-I73 HydrophobicContact CB-CB 4.43Å; I66-I73 PolarHBondContact N-O 2.69Å; I66-I73 PolarHBondContact O-N 3.28Å; F68-I73 HydrophobicContact CE2-CD1 3.83Å; F68-I73 HydrophobicContact CE2-CG1 4.22Å; I73-V75 HydrophobicContact CG2-CG2 3.83Å; I73-V101 HydrophobicContact CD1-CG1 3.79Å; I73-V101 HydrophobicContact CD1-CG2 4.37Å; I73-V101 HydrophobicContact CG2-CG1 4.24Å; I73-V101 HydrophobicContact CG2-CG2 3.88Å
74	N	93.3	Very high	92.9	Very high	60 Å²	60	38 Å²	38	32%	0.321	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.9	171.3	-69.1	-92.7	0	0	0	108.7	R63 H65	R63-N74 PolarHBondContact NH1-OD1 3.31Å; H65-N74 PolarHBondContact ND1-OD1 3.2Å
75	V	95.2	Very high	92.5	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112.7	177.7	-172.4	0	0	0	0	108.8	R63 L64 I73 L77 L79 V80 V101	R63-V75 CarbonylContact C-O 3.53Å; R63-V75 VanDerWaalsContact CA-O 3.27Å; R63-V75 WeakPolarHBondContact CA-O 3.37Å; R63-V75 WeakPolarHBondContact CB-O 3.47Å; L64-V75 HydrophobicContact CB-CB 4.47Å; L64-V75 PolarHBondContact N-O 3.48Å; L64-V75 PolarHBondContact O-N 2.96Å; I73-V75 HydrophobicContact CG2-CG2 3.83Å; V75-L77 PolarHBondContact O-N 3.07Å; V75-L79 HydrophobicContact CG1-CB 4.35Å; V75-L79 HydrophobicContact CG1-CD2 4.18Å; V75-L79 HydrophobicContact CG1-CG 4.39Å; V75-V80 HydrophobicContact CG1-CG2 3.76Å; V75-V101 HydrophobicContact CG2-CG2 4.23Å
76	P	96.1	Very high	92	Very high	19 Å²	19	46.3 Å²	46.3	12%	0.123	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	136.5	170.2	-24.8	34.9	0	0	0	110.6	Y62 R78 L79	Y62-P76 HydrophobicContact CE2-CB 4.04Å; Y62-P76 HydrophobicContact CE2-CG 4.45Å; Y62-P76 CarbonylContact O-C 3.51Å; Y62-P76 WeakPolarHBondContact O-CA 3.25Å; P76-R78 PolarHBondContact O-N 2.98Å; P76-R78 VanDerWaalsContact O-N 3.14Å; P76-L79 HydrophobicContact CB-CB 4.25Å; P76-L79 VanDerWaalsContact O-CB 3.3Å; P76-L79 WeakPolarHBondContact O-CB 3.45Å; P76-L79 PolarHBondContact O-N 2.95Å
77	L	95.6	Very high	91.3	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.047	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-60.7	-31.1	-172.6	-68.5	-179.2	0	0	0	113	I59 S60 Y62 L64 V75 L79 V80 L118 V121 I122	I59-L77 HydrophobicContact CG2-CD1 4.38Å; S60-L77 VanDerWaalsContact O-CD1 3.25Å; S60-L77 WeakPolarHBondContact O-CD1 3.48Å; Y62-L77 PolarHBondContact O-N 3.08Å; L64-L77 HydrophobicContact CB-CD2 4.25Å; V75-L77 PolarHBondContact O-N 3.07Å; L77-L79 VanDerWaalsContact C-N 3.32Å; L77-V80 WeakPolarHBondContact O-CB 3.43Å; L77-V80 PolarHBondContact O-N 2.58Å; L77-L118 HydrophobicContact CD2-CD2 4.44Å; L77-V121 HydrophobicContact CD1-CB 3.85Å; L77-V121 HydrophobicContact CD1-CG2 3.71Å; L77-V121 HydrophobicContact CD2-CG2 3.81Å; L77-V121 HydrophobicContact CG-CG2 4.37Å; L77-I122 HydrophobicContact CD2-CG2 4.43Å
78	R	94.4	Very high	90.9	Very high	33 Å²	33	53 Å²	53	13%	0.125	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-77.1	-14.1	177	-64.7	-62.9	114.7	-174.7	10.8	114.2	P76 K96 V121 I122 A123 L131 Y507 C509	P76-R78 PolarHBondContact O-N 2.98Å; P76-R78 VanDerWaalsContact O-N 3.14Å; R78-K96 WeakPolarHBondContact O-CE 3.47Å; R78-K96 PolarHBondContact O-NZ 3.37Å; R78-V121 PolarHBondContact NH2-O 3.05Å; R78-I122 PolarHBondContact NH1-O 2.87Å; R78-I122 VanDerWaalsContact NH1-O 3.1Å; R78-I122 VanDerWaalsContact NH2-C 3.32Å; R78-I122 PolarHBondContact NH2-O 3.12Å; R78-A123 VanDerWaalsContact CZ-O 3.26Å; R78-A123 PolarHBondContact NH1-O 3.31Å; R78-A123 PolarHBondContact NH2-O 2.84Å; R78-L131 HydrophobicContact CG-CD2 4.26Å; R78-Y507 CarbonylContact C-O 3.54Å; R78-Y507 VanDerWaalsContact C-O 3.27Å; R78-Y507 VanDerWaalsContact CB-O 3.26Å; R78-Y507 WeakPolarHBondContact CB-O 3.39Å; R78-C509 HydrophobicContact CB-CB 4.18Å; R78-C509 HydrophobicContact CG-CB 3.89Å
79	L	95	Very high	91	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.037	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-79	-20	170.7	178.9	65.9	0	0	0	112.2	V75 P76 L77 C95 K96 D97 Y507	V75-L79 HydrophobicContact CG1-CB 4.35Å; V75-L79 HydrophobicContact CG1-CD2 4.18Å; V75-L79 HydrophobicContact CG1-CG 4.39Å; P76-L79 HydrophobicContact CB-CB 4.25Å; P76-L79 VanDerWaalsContact O-CB 3.3Å; P76-L79 WeakPolarHBondContact O-CB 3.45Å; P76-L79 PolarHBondContact O-N 2.95Å; L77-L79 VanDerWaalsContact C-N 3.32Å; L79-C95 HydrophobicContact CG-CB 4.31Å; L79-C95 WeakPolarHBondContact O-CA 3.5Å; L79-K96 HydrophobicContact CD1-CB 4.21Å; L79-K96 WeakPolarHBondContact O-CG 3.49Å; L79-K96 PolarHBondContact O-N 3.45Å; L79-D97 HydrophobicContact CD1-CB 3.9Å; L79-Y507 HydrophobicContact CD1-CD2 3.88Å; L79-Y507 HydrophobicContact CD1-CG 3.93Å; L79-Y507 PolarHBondContact N-O 2.72Å
80	V	95.1	Very high	91.3	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.036	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.6	172.8	-173.8	0	0	0	0	109.7	V75 L77 V83 I93 K96 I122	V75-V80 HydrophobicContact CG1-CG2 3.76Å; L77-V80 WeakPolarHBondContact O-CB 3.43Å; L77-V80 PolarHBondContact O-N 2.58Å; V80-V83 HydrophobicContact CG1-CG2 3.73Å; V80-I93 HydrophobicContact CG1-CG2 3.83Å; V80-I93 HydrophobicContact CG2-CG2 3.9Å; V80-K96 WeakPolarHBondContact O-CE 3.22Å; V80-I122 HydrophobicContact CB-CG2 3.87Å; V80-I122 HydrophobicContact CG1-CD1 3.88Å; V80-I122 HydrophobicContact CG1-CG2 4.05Å; V80-I122 HydrophobicContact CG2-CG2 4.26Å
81	E	92.6	Very high	91.6	Very high	72 Å²	72	47.6 Å²	47.6	34%	0.336	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-47.2	175.7	-172	175.2	119.6	0	0	110.8	I94 K96 R361	E81-I94 PolarHBondContact N-O 3.36Å; E81-K96 HydrophobicContact CB-CG 3.95Å; E81-K96 HydrophobicContact CG-CG 4.47Å; E81-R361 IonicContact OE1-CZ 3.92Å; E81-R361 IonicContact OE1-NH1 3.37Å; E81-R361 PolarHBondContact OE1-NH1 3.37Å; E81-R361 IonicContact OE1-NH2 2.66Å; E81-R361 IonicContact OE2-CZ 2.73Å; E81-R361 IonicContact OE2-NH1 2.84Å; E81-R361 PolarHBondContact OE2-NH1 3.4Å; E81-R361 IonicContact OE2-NH2 3.81Å; E81-R361 PolarHBondContact OE2-NH2 3.36Å
82	S	93.3	Very high	91.9	Very high	37 Å²	37	46.7 Å²	46.7	26%	0.259	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	161	177.3	66.3	0	0	0	0	112.2	I94	S82-I94 PolarHBondContact N-O 3.26Å; S82-I94 PolarHBondContact O-N 2.87Å
83	V	94.9	Very high	92.1	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	110.4	178.7	173.1	0	0	0	0	110.2	V80 L91 H92 I93 L118 N119 I122	V80-V83 HydrophobicContact CG1-CG2 3.73Å; V83-L91 HydrophobicContact CG1-CD1 3.74Å; V83-L91 HydrophobicContact CG1-CD2 3.87Å; V83-L91 HydrophobicContact CG1-CG 3.83Å; V83-H92 WeakPolarHBondContact CA-O 3.45Å; V83-I93 HydrophobicContact CG1-CG1 4.39Å; V83-I93 HydrophobicContact CG2-CB 4.34Å; V83-I93 HydrophobicContact CG2-CG1 4.02Å; V83-I93 HydrophobicContact CG2-CG2 4.14Å; V83-L118 HydrophobicContact CB-CB 4.45Å; V83-L118 HydrophobicContact CG1-CB 4.09Å; V83-L118 HydrophobicContact CG1-CD1 4.24Å; V83-L118 HydrophobicContact CG2-CB 4.14Å; V83-N119 PolarHBondContact O-ND2 3.45Å; V83-I122 HydrophobicContact CB-CD1 4.23Å; V83-I122 HydrophobicContact CG2-CD1 3.74Å
84	E	92.1	Very high	92.2	Very high	66 Å²	66	43.7 Å²	43.7	31%	0.308	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.4	-176.8	-59.5	-176.9	177.9	0	0	111.6	R86 L91 H92	E84-R86 IonicContact OE1-NH2 2.67Å; E84-R86 IonicContact OE2-CZ 2.72Å; E84-R86 IonicContact OE2-NE 3.79Å; E84-R86 PolarHBondContact OE2-NE 2.89Å; E84-R86 IonicContact OE2-NH2 3.14Å; E84-R86 PolarHBondContact OE2-NH2 2.84Å; E84-L91 WeakPolarHBondContact O-CA 3.45Å; E84-L91 WeakPolarHBondContact O-CD1 3.38Å; E84-H92 HydrophobicContact CB-CB 4.49Å; E84-H92 PolarHBondContact N-O 2.92Å; E84-H92 PolarHBondContact O-N 2.64Å
85	S	88.8	Confident	92.3	Very high	53 Å²	53	40.9 Å²	40.9	37%	0.371	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.3	165.6	-176.7	0	0	0	0	109.2	Q90	S85-Q90 WeakPolarHBondContact CA-O 3.25Å
86	R	84.1	Confident	92.2	Very high	126 Å²	126	41.5 Å²	41.5	48%	0.475	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.8	177.1	-63.1	-63.8	-174.7	143.8	-4.2	108.7	E84 M88 Q90 H92	E84-R86 IonicContact OE1-NH2 2.67Å; E84-R86 IonicContact OE2-CZ 2.72Å; E84-R86 IonicContact OE2-NE 3.79Å; E84-R86 PolarHBondContact OE2-NE 2.89Å; E84-R86 IonicContact OE2-NH2 3.14Å; E84-R86 PolarHBondContact OE2-NH2 2.84Å; R86-M88 PolarHBondContact O-N 2.89Å; R86-Q90 PolarHBondContact N-O 2.9Å; R86-Q90 WeakPolarHBondContact O-CB 3.38Å; R86-Q90 PolarHBondContact O-N 3.24Å; R86-Q90 VanDerWaalsContact O-N 3.08Å; R86-H92 VanDerWaalsContact CG-CD2 3.49Å; R86-H92 WeakPolarHBondContact CG-CD2 3.47Å
87	D	81.3	Confident	92	Very high	134 Å²	134	40.6 Å²	40.6	72%	0.717	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	29.6	174.1	-50.4	-33.4	0	0	0	115.3	F89	D87-F89 WeakPolarHBondContact O-CD2 3.36Å; D87-F89 PolarHBondContact O-N 3.3Å
88	M	85.9	Confident	91.8	Very high	98 Å²	98	40.3 Å²	40.3	48%	0.483	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-33.6	-176.3	-63.5	-178.4	68.4	0	0	116.8	R86 F108 C111	R86-M88 PolarHBondContact O-N 2.89Å; M88-F108 HydrophobicContact CB-CB 4.47Å; M88-F108 HydrophobicContact CB-CD2 3.65Å; M88-F108 HydrophobicContact CB-CE2 4.25Å; M88-F108 HydrophobicContact CB-CG 4.39Å; M88-F108 HydrophobicContact CE-CB 4.2Å; M88-F108 HydrophobicContact CE-CD1 3.96Å; M88-F108 HydrophobicContact CE-CD2 3.62Å; M88-F108 HydrophobicContact CE-CE1 4.14Å; M88-F108 HydrophobicContact CE-CE2 3.81Å; M88-F108 HydrophobicContact CE-CG 3.68Å; M88-F108 HydrophobicContact CE-CZ 4.05Å; M88-F108 HydrophobicContact CG-CD2 3.98Å; M88-F108 HydrophobicContact CG-CE2 4.1Å; M88-F108 WeakPolarHBondContact O-CD2 3.49Å; M88-C111 WeakPolarHBondContact O-CB 3.47Å
89	F	91.4	Very high	91.5	Very high	99 Å²	99	41 Å²	41	43%	0.434	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-3.8	-172.8	-57.5	-87.2	0	0	0	113.3	D87 H104 F105 F108	D87-F89 WeakPolarHBondContact O-CD2 3.36Å; D87-F89 PolarHBondContact O-N 3.3Å; F89-H104 CarbonylContact O-C 3.59Å; F89-H104 WeakPolarHBondContact O-CA 3.41Å; F89-F105 PolarHBondContact O-N 2.81Å; F89-F108 HydrophobicContact CE1-CB 4.19Å; F89-F108 HydrophobicContact CZ-CB 4.5Å
90	Q	92.6	Very high	91.3	Very high	32 Å²	32	42 Å²	42	15%	0.15	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.2	-175.8	-164.4	-176.8	66.8	0	0	111.2	S85 R86 H92 C103 H104	S85-Q90 WeakPolarHBondContact CA-O 3.25Å; R86-Q90 PolarHBondContact N-O 2.9Å; R86-Q90 WeakPolarHBondContact O-CB 3.38Å; R86-Q90 PolarHBondContact O-N 3.24Å; R86-Q90 VanDerWaalsContact O-N 3.08Å; Q90-H92 PolarHBondContact OE1-CD2 2.72Å; Q90-H92 PolarHBondContact OE1-NE2 2.99Å; Q90-C103 CarbonylContact C-O 3.52Å; Q90-C103 WeakPolarHBondContact CA-O 3.35Å; Q90-H104 PolarHBondContact NE2-NE2 3.04Å
91	L	93.1	Very high	91.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.5	175.6	-161.7	75.5	0	0	0	109.6	V83 E84 I93 R102 C103 F105 A115 L118	V83-L91 HydrophobicContact CG1-CD1 3.74Å; V83-L91 HydrophobicContact CG1-CD2 3.87Å; V83-L91 HydrophobicContact CG1-CG 3.83Å; E84-L91 WeakPolarHBondContact O-CA 3.45Å; E84-L91 WeakPolarHBondContact O-CD1 3.38Å; L91-I93 HydrophobicContact CD2-CD1 4.21Å; L91-I93 HydrophobicContact CD2-CG1 4.3Å; L91-R102 WeakPolarHBondContact O-CA 3.39Å; L91-C103 PolarHBondContact N-O 3.46Å; L91-C103 PolarHBondContact O-N 3.32Å; L91-F105 HydrophobicContact CB-CE2 3.93Å; L91-F105 HydrophobicContact CD2-CE2 4.3Å; L91-A115 HydrophobicContact CD1-CB 3.58Å; L91-L118 HydrophobicContact CD2-CD1 3.59Å
92	H	93	Very high	91	Very high	28 Å²	28	42.3 Å²	42.3	13%	0.13	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.9	173.1	-71.1	-132.4	0	0	0	108.3	V83 E84 R86 Q90 R102	V83-H92 WeakPolarHBondContact CA-O 3.45Å; E84-H92 HydrophobicContact CB-CB 4.49Å; E84-H92 PolarHBondContact N-O 2.92Å; E84-H92 PolarHBondContact O-N 2.64Å; R86-H92 VanDerWaalsContact CG-CD2 3.49Å; R86-H92 WeakPolarHBondContact CG-CD2 3.47Å; Q90-H92 PolarHBondContact OE1-CD2 2.72Å; Q90-H92 PolarHBondContact OE1-NE2 2.99Å; H92-R102 PolarHBondContact CE1-NE 2.67Å; H92-R102 VanDerWaalsContact CE1-NE 3.31Å
93	I	94.8	Very high	90.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.4	174.6	-59.8	121.4	0	0	0	107.4	L64 I66 V80 V83 L91 V100 V101 L118	L64-I93 HydrophobicContact CD2-CD1 3.79Å; L64-I93 HydrophobicContact CD2-CG1 4.1Å; L64-I93 HydrophobicContact CD2-CG2 4.24Å; I66-I93 HydrophobicContact CD1-CD1 4.41Å; V80-I93 HydrophobicContact CG1-CG2 3.83Å; V80-I93 HydrophobicContact CG2-CG2 3.9Å; V83-I93 HydrophobicContact CG1-CG1 4.39Å; V83-I93 HydrophobicContact CG2-CB 4.34Å; V83-I93 HydrophobicContact CG2-CG1 4.02Å; V83-I93 HydrophobicContact CG2-CG2 4.14Å; L91-I93 HydrophobicContact CD2-CD1 4.21Å; L91-I93 HydrophobicContact CD2-CG1 4.3Å; I93-V100 WeakPolarHBondContact O-CA 3.46Å; I93-V101 HydrophobicContact CB-CB 4.25Å; I93-V101 HydrophobicContact CD1-CB 4.4Å; I93-V101 HydrophobicContact CD1-CG1 4.2Å; I93-V101 PolarHBondContact N-O 2.95Å; I93-V101 PolarHBondContact O-N 2.95Å; I93-L118 HydrophobicContact CG1-CD1 4.26Å
94	I	94.1	Very high	90.8	Very high	24 Å²	24	44.5 Å²	44.5	12%	0.123	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.3	-173.5	-59.9	-176.8	0	0	0	108.3	E81 S82	E81-I94 PolarHBondContact N-O 3.36Å; S82-I94 PolarHBondContact N-O 3.26Å; S82-I94 PolarHBondContact O-N 2.87Å
95	C	94.4	Very high	90.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	149.1	-171.7	-56.2	0	0	0	0	113.1	L79 D97 S98 K99 R361	L79-C95 HydrophobicContact CG-CB 4.31Å; L79-C95 WeakPolarHBondContact O-CA 3.5Å; C95-D97 VanDerWaalsContact CB-OD1 3.25Å; C95-D97 WeakPolarHBondContact CB-OD1 3.36Å; C95-D97 PolarHBondContact O-N 3.32Å; C95-S98 PolarHBondContact O-N 3.43Å; C95-S98 VanDerWaalsContact O-N 3.07Å; C95-K99 HydrophobicContact CB-CB 3.94Å; C95-K99 VanDerWaalsContact CB-O 3.29Å; C95-K99 WeakPolarHBondContact CB-O 3.47Å; C95-K99 PolarHBondContact N-O 3.24Å; C95-R361 PolarHBondContact O-NE 3.47Å; C95-R361 PolarHBondContact O-NH2 2.64Å
96	K	93.7	Very high	91	Very high	17 Å²	17	41.9 Å²	41.9	7%	0.074	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.4	-178.8	-62.5	173.4	-176.2	169.8	0	113.6	R78 L79 V80 E81 F357 C458 Y507	R78-K96 WeakPolarHBondContact O-CE 3.47Å; R78-K96 PolarHBondContact O-NZ 3.37Å; L79-K96 HydrophobicContact CD1-CB 4.21Å; L79-K96 WeakPolarHBondContact O-CG 3.49Å; L79-K96 PolarHBondContact O-N 3.45Å; V80-K96 WeakPolarHBondContact O-CE 3.22Å; E81-K96 HydrophobicContact CB-CG 3.95Å; E81-K96 HydrophobicContact CG-CG 4.47Å; K96-F357 VanDerWaalsContact O-CE1 3.24Å; K96-F357 WeakPolarHBondContact O-CE1 3.49Å; K96-C458 PolarHBondContact NZ-O 3.35Å; K96-Y507 HydrophobicContact CB-CD1 3.91Å; K96-Y507 HydrophobicContact CB-CD2 4.36Å; K96-Y507 HydrophobicContact CB-CE1 3.94Å; K96-Y507 HydrophobicContact CB-CE2 4.39Å; K96-Y507 HydrophobicContact CB-CG 4.12Å; K96-Y507 HydrophobicContact CD-CD1 3.64Å; K96-Y507 HydrophobicContact CD-CE1 4.03Å; K96-Y507 HydrophobicContact CD-CG 4.37Å; K96-Y507 HydrophobicContact CG-CD1 4.41Å
97	D	91.6	Very high	91.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	19.2	173.8	67.6	-10	0	0	0	113.9	L79 C95 K99 V503 V573	L79-D97 HydrophobicContact CD1-CB 3.9Å; C95-D97 VanDerWaalsContact CB-OD1 3.25Å; C95-D97 WeakPolarHBondContact CB-OD1 3.36Å; C95-D97 PolarHBondContact O-N 3.32Å; D97-K99 VanDerWaalsContact C-N 3.3Å; D97-K99 PolarHBondContact O-N 2.86Å; D97-K99 WeakPolarHBondContact OD1-CB 3.31Å; D97-K99 WeakPolarHBondContact OD1-CG 3.35Å; D97-K99 PolarHBondContact OD1-N 3.25Å; D97-K99 WeakPolarHBondContact OD2-CD 3.32Å; D97-K99 VanDerWaalsContact OD2-CE 3.3Å; D97-K99 WeakPolarHBondContact OD2-CE 3.32Å; D97-K99 IonicContact OD2-NZ 3.38Å; D97-K99 PolarHBondContact OD2-NZ 2.78Å; D97-V503 HydrophobicContact CB-CG1 4.3Å; D97-V573 HydrophobicContact CB-CG1 4.27Å
98	S	91.3	Very high	91.9	Very high	3 Å²	3	36 Å²	36	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	74.9	1.4	-178	-164.8	0	0	0	0	116.3	C95 R361	C95-S98 PolarHBondContact O-N 3.43Å; C95-S98 VanDerWaalsContact O-N 3.07Å; S98-R361 VanDerWaalsContact OG-CA 3.31Å; S98-R361 WeakPolarHBondContact OG-CA 3.46Å; S98-R361 WeakPolarHBondContact OG-CB 3.45Å
99	K	89.3	Confident	92.2	Very high	47 Å²	47	39.6 Å²	39.6	20%	0.204	19%	0.194	C	C	.	.			trans	-71.1	142.6	173.9	-64.4	173.6	-175.5	137.4	0	111.4	C95 D97 P576	C95-K99 HydrophobicContact CB-CB 3.94Å; C95-K99 VanDerWaalsContact CB-O 3.29Å; C95-K99 WeakPolarHBondContact CB-O 3.47Å; C95-K99 PolarHBondContact N-O 3.24Å; D97-K99 VanDerWaalsContact C-N 3.3Å; D97-K99 PolarHBondContact O-N 2.86Å; D97-K99 WeakPolarHBondContact OD1-CB 3.31Å; D97-K99 WeakPolarHBondContact OD1-CG 3.35Å; D97-K99 PolarHBondContact OD1-N 3.25Å; D97-K99 WeakPolarHBondContact OD2-CD 3.32Å; D97-K99 VanDerWaalsContact OD2-CE 3.3Å; D97-K99 WeakPolarHBondContact OD2-CE 3.32Å; D97-K99 IonicContact OD2-NZ 3.38Å; D97-K99 PolarHBondContact OD2-NZ 2.78Å; K99-P576 HydrophobicContact CD-CG 3.96Å; K99-P576 HydrophobicContact CG-CG 3.84Å
100	V	91.1	Very high	92.2	Very high	29 Å²	29	37.4 Å²	37.4	18%	0.176	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	106.5	171.1	-179.3	0	0	0	0	108.1	I93 R361	I93-V100 WeakPolarHBondContact O-CA 3.46Å; V100-R361 HydrophobicContact CG2-CG 3.99Å
101	V	90.6	Very high	92.3	Very high	12 Å²	12	35.9 Å²	35.9	7%	0.073	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.3	-178.9	175.7	0	0	0	0	108.9	I66 I73 V75 I93	I66-V101 HydrophobicContact CD1-CG1 3.94Å; I73-V101 HydrophobicContact CD1-CG1 3.79Å; I73-V101 HydrophobicContact CD1-CG2 4.37Å; I73-V101 HydrophobicContact CG2-CG1 4.24Å; I73-V101 HydrophobicContact CG2-CG2 3.88Å; V75-V101 HydrophobicContact CG2-CG2 4.23Å; I93-V101 HydrophobicContact CB-CB 4.25Å; I93-V101 HydrophobicContact CD1-CB 4.4Å; I93-V101 HydrophobicContact CD1-CG1 4.2Å; I93-V101 PolarHBondContact N-O 2.95Å; I93-V101 PolarHBondContact O-N 2.95Å
102	R	90.3	Very high	92.4	Very high	71 Å²	71	39.5 Å²	39.5	27%	0.268	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.5	178	-63.5	-179.8	-176.2	127.8	6.2	110.1	L91 H92 S365	L91-R102 WeakPolarHBondContact O-CA 3.39Å; H92-R102 PolarHBondContact CE1-NE 2.67Å; H92-R102 VanDerWaalsContact CE1-NE 3.31Å; R102-S365 PolarHBondContact NH1-O 2.94Å; R102-S365 PolarHBondContact NH2-O 2.93Å
103	C	91.1	Very high	92.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.9	178.9	-166.8	0	0	0	0	110.1	A52 I66 Q90 L91 F105	A52-C103 WeakPolarHBondContact CB-SG 3.33Å; I66-C103 HydrophobicContact CD1-CB 4.26Å; Q90-C103 CarbonylContact C-O 3.52Å; Q90-C103 WeakPolarHBondContact CA-O 3.35Å; L91-C103 PolarHBondContact N-O 3.46Å; L91-C103 PolarHBondContact O-N 3.32Å; C103-F105 HydrophobicContact CB-CE2 4.37Å
104	H	92.5	Very high	92.4	Very high	94 Å²	94	41.5 Å²	41.5	44%	0.435	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.2	-179.2	-62.7	99.8	0	0	0	111	A52 D53 F89 Q90	A52-H104 WeakPolarHBondContact CA-O 3.48Å; A52-H104 VanDerWaalsContact CB-O 3.25Å; A52-H104 WeakPolarHBondContact CB-O 3.41Å; D53-H104 HydrophobicContact CB-CB 4.11Å; D53-H104 PolarHBondContact N-O 2.86Å; F89-H104 CarbonylContact O-C 3.59Å; F89-H104 WeakPolarHBondContact O-CA 3.41Å; Q90-H104 PolarHBondContact NE2-NE2 3.04Å
105	F	93.7	Very high	92.5	Very high	2 Å²	2	41 Å²	41	1%	0.009	20%	0.204	C	C	.	.			trans	-131.6	135.3	178.7	-63.8	-91.5	0	0	0	111.4	A52 I57 F89 L91 C103 T107 Q110 C111 W114	A52-F105 HydrophobicContact CB-CD1 4.34Å; A52-F105 HydrophobicContact CB-CE1 4.21Å; I57-F105 HydrophobicContact CD1-CZ 4.02Å; I57-F105 HydrophobicContact CG2-CE1 4.24Å; F89-F105 PolarHBondContact O-N 2.81Å; L91-F105 HydrophobicContact CB-CE2 3.93Å; L91-F105 HydrophobicContact CD2-CE2 4.3Å; C103-F105 HydrophobicContact CB-CE2 4.37Å; F105-T107 PolarHBondContact O-N 2.93Å; F105-Q110 HydrophobicContact CB-CB 4.12Å; F105-Q110 HydrophobicContact CD1-CB 3.97Å; F105-Q110 HydrophobicContact CG-CB 4.33Å; F105-C111 HydrophobicContact CB-CB 4.09Å; F105-C111 HydrophobicContact CD2-CB 3.81Å; F105-C111 HydrophobicContact CG-CB 4.17Å; F105-W114 HydrophobicContact CE1-CB 3.91Å; F105-W114 AromaticContact CE1-CD1 3.36Å; F105-W114 HydrophobicContact CE1-CD2 4.3Å; F105-W114 AromaticContact CE1-CG 3.56Å; F105-W114 HydrophobicContact CE1-CG 3.56Å; F105-W114 HydrophobicContact CE2-CB 4.32Å; F105-W114 HydrophobicContact CZ-CB 3.56Å; F105-W114 AromaticContact CZ-CD1 3.96Å; F105-W114 HydrophobicContact CZ-CD2 4.47Å; F105-W114 AromaticContact CZ-CG 3.69Å; F105-W114 HydrophobicContact CZ-CG 3.69Å
106	A	91.6	Very high	92.5	Very high	63 Å²	63	46.6 Å²	46.6	52%	0.521	23%	0.228	S	C	.	.	S	Bend	trans	-51.8	-22.9	176.1	0	0	0	0	0	114.8	D53	D53-A106 WeakPolarHBondContact OD1-CA 3.29Å; D53-A106 VanDerWaalsContact OD1-CB 3.29Å; D53-A106 WeakPolarHBondContact OD1-CB 3.4Å; D53-A106 PolarHBondContact OD1-N 3.39Å; D53-A106 VanDerWaalsContact OD1-N 3.08Å
107	T	91.7	Very high	92.6	Very high	57 Å²	57	47.1 Å²	47.1	35%	0.35	23%	0.229	S	C	.	.	S	Bend	trans	-138.3	143.5	175.8	70.9	0	0	0	0	113.6	F105 K109 Q110 C111	F105-T107 PolarHBondContact O-N 2.93Å; T107-K109 PolarHBondContact O-N 2.84Å; T107-Q110 PolarHBondContact O-N 3.31Å; T107-Q110 VanDerWaalsContact O-N 3.07Å; T107-Q110 WeakPolarHBondContact OG1-CG 3.29Å; T107-Q110 PolarHBondContact OG1-N 2.81Å; T107-Q110 VanDerWaalsContact OG1-N 3.13Å; T107-Q110 PolarHBondContact OG1-OE1 2.9Å; T107-C111 PolarHBondContact O-N 2.67Å
108	F	92.1	Very high	92.8	Very high	80 Å²	80	47 Å²	47	35%	0.351	23%	0.229	S	C	.	.	H	α-helix	trans	-51.5	-34.2	167.5	170.7	-113.3	0	0	0	112.7	M88 F89 C111 Q112	M88-F108 HydrophobicContact CB-CB 4.47Å; M88-F108 HydrophobicContact CB-CD2 3.65Å; M88-F108 HydrophobicContact CB-CE2 4.25Å; M88-F108 HydrophobicContact CB-CG 4.39Å; M88-F108 HydrophobicContact CE-CB 4.2Å; M88-F108 HydrophobicContact CE-CD1 3.96Å; M88-F108 HydrophobicContact CE-CD2 3.62Å; M88-F108 HydrophobicContact CE-CE1 4.14Å; M88-F108 HydrophobicContact CE-CE2 3.81Å; M88-F108 HydrophobicContact CE-CG 3.68Å; M88-F108 HydrophobicContact CE-CZ 4.05Å; M88-F108 HydrophobicContact CG-CD2 3.98Å; M88-F108 HydrophobicContact CG-CE2 4.1Å; M88-F108 WeakPolarHBondContact O-CD2 3.49Å; F89-F108 HydrophobicContact CE1-CB 4.19Å; F89-F108 HydrophobicContact CZ-CB 4.5Å; F108-C111 PolarHBondContact O-N 2.78Å; F108-Q112 HydrophobicContact CD2-CG 4.28Å; F108-Q112 HydrophobicContact CE2-CG 3.95Å; F108-Q112 HydrophobicContact CZ-CG 4.1Å; F108-Q112 WeakPolarHBondContact O-CB 3.47Å; F108-Q112 PolarHBondContact O-N 3.31Å
109	K	92.1	Very high	93	Very high	173 Å²	173	50.5 Å²	50.5	75%	0.752	25%	0.247	S	C	*	.	H	α-helix	trans	-64.8	-45.6	177	-170.7	-175.2	177.1	-170.6	0	111.5	T107 E113	T107-K109 PolarHBondContact O-N 2.84Å; K109-E113 VanDerWaalsContact O-CB 3.23Å; K109-E113 WeakPolarHBondContact O-CB 3.46Å; K109-E113 PolarHBondContact O-N 3.43Å
110	Q	92.7	Very high	93.1	Very high	52 Å²	52	57.3 Å²	57.3	24%	0.243	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-45.1	174	-74	162.1	-71.6	0	0	111.2	F105 T107 Q112 E113 W114	F105-Q110 HydrophobicContact CB-CB 4.12Å; F105-Q110 HydrophobicContact CD1-CB 3.97Å; F105-Q110 HydrophobicContact CG-CB 4.33Å; T107-Q110 PolarHBondContact O-N 3.31Å; T107-Q110 VanDerWaalsContact O-N 3.07Å; T107-Q110 WeakPolarHBondContact OG1-CG 3.29Å; T107-Q110 PolarHBondContact OG1-N 2.81Å; T107-Q110 VanDerWaalsContact OG1-N 3.13Å; T107-Q110 PolarHBondContact OG1-OE1 2.9Å; Q110-Q112 VanDerWaalsContact C-N 3.34Å; Q110-Q112 PolarHBondContact O-N 2.73Å; Q110-E113 PolarHBondContact O-N 2.95Å; Q110-E113 VanDerWaalsContact O-N 3.11Å; Q110-W114 PolarHBondContact O-N 2.98Å
111	C	94.3	Very high	93.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-44.8	178.6	-167.2	0	0	0	0	112.1	M88 F105 T107 F108 A115	M88-C111 WeakPolarHBondContact O-CB 3.47Å; F105-C111 HydrophobicContact CB-CB 4.09Å; F105-C111 HydrophobicContact CD2-CB 3.81Å; F105-C111 HydrophobicContact CG-CB 4.17Å; T107-C111 PolarHBondContact O-N 2.67Å; F108-C111 PolarHBondContact O-N 2.78Å; C111-A115 VanDerWaalsContact O-CB 3.27Å; C111-A115 WeakPolarHBondContact O-CB 3.31Å; C111-A115 PolarHBondContact O-N 3.13Å
112	Q	93.9	Very high	93.2	Very high	76 Å²	76	57.6 Å²	57.6	36%	0.355	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-37.2	174.5	-81	-148.8	-6.2	0	0	113.5	F108 Q110 A115 K116	F108-Q112 HydrophobicContact CD2-CG 4.28Å; F108-Q112 HydrophobicContact CE2-CG 3.95Å; F108-Q112 HydrophobicContact CZ-CG 4.1Å; F108-Q112 WeakPolarHBondContact O-CB 3.47Å; F108-Q112 PolarHBondContact O-N 3.31Å; Q110-Q112 VanDerWaalsContact C-N 3.34Å; Q110-Q112 PolarHBondContact O-N 2.73Å; Q112-A115 PolarHBondContact O-N 3.07Å; Q112-K116 WeakPolarHBondContact O-CD 3.49Å; Q112-K116 VanDerWaalsContact O-CG 3.22Å; Q112-K116 WeakPolarHBondContact O-CG 3.32Å; Q112-K116 PolarHBondContact O-N 2.84Å; Q112-K116 VanDerWaalsContact OE1-NZ 3.11Å
113	E	93.9	Very high	93.1	Very high	71 Å²	71	56.6 Å²	56.6	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-69.3	-44.8	-178.9	176	59.6	-164.4	0	0	111.1	K109 Q110 K116 R117	K109-E113 VanDerWaalsContact O-CB 3.23Å; K109-E113 WeakPolarHBondContact O-CB 3.46Å; K109-E113 PolarHBondContact O-N 3.43Å; Q110-E113 PolarHBondContact O-N 2.95Å; Q110-E113 VanDerWaalsContact O-N 3.11Å; E113-K116 PolarHBondContact O-N 3.02Å; E113-R117 VanDerWaalsContact CG-CZ 3.5Å; E113-R117 WeakPolarHBondContact O-CG 3.44Å; E113-R117 PolarHBondContact O-N 3.07Å; E113-R117 IonicContact OE1-CZ 3.63Å; E113-R117 VanDerWaalsContact OE1-CZ 3.27Å; E113-R117 IonicContact OE1-NE 3.65Å; E113-R117 PolarHBondContact OE1-NE 2.98Å; E113-R117 IonicContact OE1-NH2 2.68Å; E113-R117 PolarHBondContact OE1-NH2 3.44Å
114	W	95.1	Very high	92.7	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-35.9	172.3	-78.7	91.6	0	0	0	112.5	E30 I57 I59 F105 Q110 K116 R117 L118	E30-W114 VanDerWaalsContact CD-NE1 3.3Å; E30-W114 PolarHBondContact OE1-NE1 3.07Å; E30-W114 PolarHBondContact OE2-NE1 2.92Å; E30-W114 VanDerWaalsContact OE2-NE1 3.12Å; I57-W114 HydrophobicContact CB-CZ3 4.5Å; I57-W114 HydrophobicContact CD1-CD2 4.17Å; I57-W114 HydrophobicContact CD1-CE3 3.73Å; I57-W114 HydrophobicContact CD1-CZ3 4.17Å; I57-W114 HydrophobicContact CG1-CD2 4.46Å; I57-W114 HydrophobicContact CG1-CE3 3.86Å; I57-W114 HydrophobicContact CG1-CH2 4.31Å; I57-W114 HydrophobicContact CG1-CZ3 3.76Å; I57-W114 HydrophobicContact CG2-CD2 4.06Å; I57-W114 HydrophobicContact CG2-CE3 4.24Å; I57-W114 HydrophobicContact CG2-CH2 4.01Å; I57-W114 HydrophobicContact CG2-CZ2 3.83Å; I57-W114 HydrophobicContact CG2-CZ3 4.2Å; I57-W114 WeakPolarHBondContact O-CH2 3.43Å; I59-W114 HydrophobicContact CD1-CE3 3.84Å; I59-W114 HydrophobicContact CD1-CZ3 3.58Å; I59-W114 HydrophobicContact CG1-CZ3 3.91Å; F105-W114 HydrophobicContact CE1-CB 3.91Å; F105-W114 AromaticContact CE1-CD1 3.36Å; F105-W114 HydrophobicContact CE1-CD2 4.3Å; F105-W114 AromaticContact CE1-CG 3.56Å; F105-W114 HydrophobicContact CE1-CG 3.56Å; F105-W114 HydrophobicContact CE2-CB 4.32Å; F105-W114 HydrophobicContact CZ-CB 3.56Å; F105-W114 AromaticContact CZ-CD1 3.96Å; F105-W114 HydrophobicContact CZ-CD2 4.47Å; F105-W114 AromaticContact CZ-CG 3.69Å; F105-W114 HydrophobicContact CZ-CG 3.69Å; Q110-W114 PolarHBondContact O-N 2.98Å; W114-K116 PolarHBondContact O-N 3.18Å; W114-R117 VanDerWaalsContact CE2-NH1 3.26Å; W114-R117 VanDerWaalsContact CZ2-NH1 3.27Å; W114-R117 PolarHBondContact O-N 2.92Å; W114-L118 WeakPolarHBondContact O-CB 3.38Å; W114-L118 PolarHBondContact O-N 2.86Å
115	A	95	Very high	92.4	Very high	13 Å²	13	56.7 Å²	56.7	11%	0.107	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-43.1	170.2	0	0	0	0	0	112.3	L91 C111 Q112 N119	L91-A115 HydrophobicContact CD1-CB 3.58Å; C111-A115 VanDerWaalsContact O-CB 3.27Å; C111-A115 WeakPolarHBondContact O-CB 3.31Å; C111-A115 PolarHBondContact O-N 3.13Å; Q112-A115 PolarHBondContact O-N 3.07Å; A115-N119 WeakPolarHBondContact O-CB 3.38Å; A115-N119 PolarHBondContact O-N 3.09Å; A115-N119 PolarHBondContact O-ND2 3.28Å
116	K	95.1	Very high	92.1	Very high	118 Å²	118	60 Å²	60	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-66.6	-45.1	177.6	-73.3	161.1	-167.8	163.7	0	111.8	Q112 E113 W114 R120	Q112-K116 WeakPolarHBondContact O-CD 3.49Å; Q112-K116 VanDerWaalsContact O-CG 3.22Å; Q112-K116 WeakPolarHBondContact O-CG 3.32Å; Q112-K116 PolarHBondContact O-N 2.84Å; Q112-K116 VanDerWaalsContact OE1-NZ 3.11Å; E113-K116 PolarHBondContact O-N 3.02Å; W114-K116 PolarHBondContact O-N 3.18Å; K116-R120 WeakPolarHBondContact O-CB 3.45Å; K116-R120 PolarHBondContact O-N 3.06Å
117	R	95.6	Very high	92	Very high	27 Å²	27	63.7 Å²	63.7	10%	0.102	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-48	175.8	-69.4	171.8	-168	165.2	6.3	111.2	E30 Y48 I59 E113 W114 R120 V121	E30-R117 IonicContact OE1-CZ 3.28Å; E30-R117 IonicContact OE1-NH1 2.76Å; E30-R117 PolarHBondContact OE1-NH1 3.37Å; E30-R117 IonicContact OE1-NH2 2.77Å; E30-R117 PolarHBondContact OE1-NH2 3.17Å; Y48-R117 HydrophobicContact CD1-CG 4.29Å; Y48-R117 HydrophobicContact CD2-CB 4.43Å; Y48-R117 HydrophobicContact CD2-CG 4.44Å; Y48-R117 HydrophobicContact CE1-CG 4.26Å; Y48-R117 HydrophobicContact CE2-CG 4.4Å; Y48-R117 HydrophobicContact CG-CG 4.4Å; I59-R117 HydrophobicContact CD1-CB 4.1Å; E113-R117 VanDerWaalsContact CG-CZ 3.5Å; E113-R117 WeakPolarHBondContact O-CG 3.44Å; E113-R117 PolarHBondContact O-N 3.07Å; E113-R117 IonicContact OE1-CZ 3.63Å; E113-R117 VanDerWaalsContact OE1-CZ 3.27Å; E113-R117 IonicContact OE1-NE 3.65Å; E113-R117 PolarHBondContact OE1-NE 2.98Å; E113-R117 IonicContact OE1-NH2 2.68Å; E113-R117 PolarHBondContact OE1-NH2 3.44Å; W114-R117 VanDerWaalsContact CE2-NH1 3.26Å; W114-R117 VanDerWaalsContact CZ2-NH1 3.27Å; W114-R117 PolarHBondContact O-N 2.92Å; R117-R120 WeakPolarHBondContact O-CB 3.29Å; R117-R120 PolarHBondContact O-N 3.34Å; R117-V121 PolarHBondContact O-N 3.06Å; R117-V121 VanDerWaalsContact O-N 3.12Å
118	L	95.6	Very high	91.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-51.5	178.6	-80.9	164.6	0	0	0	112.5	I59 L64 L77 V83 L91 I93 W114 R120 V121 I122	I59-L118 HydrophobicContact CD1-CD2 3.76Å; I59-L118 HydrophobicContact CD1-CG 3.79Å; I59-L118 HydrophobicContact CG1-CD2 4.01Å; L64-L118 HydrophobicContact CB-CD2 4.37Å; L64-L118 HydrophobicContact CD1-CD2 4.3Å; L64-L118 HydrophobicContact CD2-CD1 4.29Å; L64-L118 HydrophobicContact CD2-CD2 4.05Å; L64-L118 HydrophobicContact CG-CD2 4.48Å; L77-L118 HydrophobicContact CD2-CD2 4.44Å; V83-L118 HydrophobicContact CB-CB 4.45Å; V83-L118 HydrophobicContact CG1-CB 4.09Å; V83-L118 HydrophobicContact CG1-CD1 4.24Å; V83-L118 HydrophobicContact CG2-CB 4.14Å; L91-L118 HydrophobicContact CD2-CD1 3.59Å; I93-L118 HydrophobicContact CG1-CD1 4.26Å; W114-L118 WeakPolarHBondContact O-CB 3.38Å; W114-L118 PolarHBondContact O-N 2.86Å; L118-R120 PolarHBondContact O-N 3.33Å; L118-R120 VanDerWaalsContact O-N 3.14Å; L118-V121 HydrophobicContact CD2-CG2 4.46Å; L118-V121 WeakPolarHBondContact O-CG2 3.29Å; L118-V121 PolarHBondContact O-N 3.49Å; L118-I122 WeakPolarHBondContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG2 3.4Å; L118-I122 PolarHBondContact O-N 3.22Å
119	N	94.8	Very high	91.9	Very high	76 Å²	76	60.1 Å²	60.1	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-57.7	-30.1	177.2	-81.1	-77.9	0	0	0	112.5	V83 A115 A123	V83-N119 PolarHBondContact O-ND2 3.45Å; A115-N119 WeakPolarHBondContact O-CB 3.38Å; A115-N119 PolarHBondContact O-N 3.09Å; A115-N119 PolarHBondContact O-ND2 3.28Å; N119-A123 PolarHBondContact O-N 3.16Å
120	R	92.9	Very high	91.8	Very high	189 Å²	189	55.9 Å²	55.9	71%	0.713	27%	0.27	S	S	*	.	H	α-helix	trans	-70.1	-41.7	173.7	-164.7	-176.7	-154.1	174.1	7.9	113.6	K116 R117 L118	K116-R120 WeakPolarHBondContact O-CB 3.45Å; K116-R120 PolarHBondContact O-N 3.06Å; R117-R120 WeakPolarHBondContact O-CB 3.29Å; R117-R120 PolarHBondContact O-N 3.34Å; L118-R120 PolarHBondContact O-N 3.33Å; L118-R120 VanDerWaalsContact O-N 3.14Å
121	V	91.4	Very high	91.8	Very high	25 Å²	25	53.6 Å²	53.6	15%	0.152	26%	0.26	C	S	.	.	H	α-helix	trans	-87.2	-15.2	-176.3	-57.9	0	0	0	0	114.2	I59 L77 R78 R117 L118	I59-V121 HydrophobicContact CG2-CG1 4.24Å; I59-V121 HydrophobicContact CG2-CG2 3.9Å; L77-V121 HydrophobicContact CD1-CB 3.85Å; L77-V121 HydrophobicContact CD1-CG2 3.71Å; L77-V121 HydrophobicContact CD2-CG2 3.81Å; L77-V121 HydrophobicContact CG-CG2 4.37Å; R78-V121 PolarHBondContact NH2-O 3.05Å; R117-V121 PolarHBondContact O-N 3.06Å; R117-V121 VanDerWaalsContact O-N 3.12Å; L118-V121 HydrophobicContact CD2-CG2 4.46Å; L118-V121 WeakPolarHBondContact O-CG2 3.29Å; L118-V121 PolarHBondContact O-N 3.49Å
122	I	91	Very high	91.9	Very high	22 Å²	22	54.1 Å²	54.1	11%	0.113	26%	0.262	C	S	.	.	H	α-helix	trans	-93.1	-9.6	172.5	74.1	-171	0	0	0	113.2	L77 R78 V80 V83 L118	L77-I122 HydrophobicContact CD2-CG2 4.43Å; R78-I122 PolarHBondContact NH1-O 2.87Å; R78-I122 VanDerWaalsContact NH1-O 3.1Å; R78-I122 VanDerWaalsContact NH2-C 3.32Å; R78-I122 PolarHBondContact NH2-O 3.12Å; V80-I122 HydrophobicContact CB-CG2 3.87Å; V80-I122 HydrophobicContact CG1-CD1 3.88Å; V80-I122 HydrophobicContact CG1-CG2 4.05Å; V80-I122 HydrophobicContact CG2-CG2 4.26Å; V83-I122 HydrophobicContact CB-CD1 4.23Å; V83-I122 HydrophobicContact CG2-CD1 3.74Å; L118-I122 WeakPolarHBondContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG2 3.4Å; L118-I122 PolarHBondContact O-N 3.22Å
123	A	88.4	Confident	92	Very high	51 Å²	51	50.5 Å²	50.5	42%	0.421	25%	0.245	S	C	.	.	S	Bend	trans	-50.2	152.2	175.6	0	0	0	0	0	112.2	R78 N119	R78-A123 VanDerWaalsContact CZ-O 3.26Å; R78-A123 PolarHBondContact NH1-O 3.31Å; R78-A123 PolarHBondContact NH2-O 2.84Å; N119-A123 PolarHBondContact O-N 3.16Å
124	H	83.6	Confident	91.9	Very high	92 Å²	92	47.2 Å²	47.2	43%	0.426	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-56.1	142	-176.8	-67.1	114	0	0	0	112.1	S126	H124-S126 PolarHBondContact O-N 3.43Å
125	P	86.8	Confident	91.8	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.026	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-64.3	131.3	177.4	28.9	-33.9	0	0	0	109.6	R127 D130 L131 H460	P125-R127 VanDerWaalsContact C-N 3.35Å; P125-D130 HydrophobicContact CB-CB 4.06Å; P125-L131 HydrophobicContact CB-CD2 4.09Å; P125-L131 HydrophobicContact CB-CG 4.45Å; P125-L131 HydrophobicContact CG-CD2 4.16Å; P125-H460 WeakPolarHBondContact CG-O 3.49Å
126	S	86.5	Confident	91.7	Very high	70 Å²	70	48.8 Å²	48.8	49%	0.49	24%	0.235	S	C	.	.	S	Bend	trans	-78.1	-28	172.7	70.5	0	0	0	0	111.5	H124 D130	H124-S126 PolarHBondContact O-N 3.43Å; S126-D130 WeakPolarHBondContact CA-OD2 3.47Å; S126-D130 WeakPolarHBondContact CB-OD2 3.27Å; S126-D130 PolarHBondContact N-OD2 3Å; S126-D130 PolarHBondContact OG-OD2 2.91Å
127	R	89.8	Confident	91.5	Very high	142 Å²	142	43.6 Å²	43.6	54%	0.536	21%	0.212	S	C	.	.	S	Bend	trans	-143.1	153.8	-178.7	-65.6	177.6	59.8	157.8	-0.5	110.4	P125 E129 D130 E462	P125-R127 VanDerWaalsContact C-N 3.35Å; R127-E129 IonicContact CZ-OE2 3.39Å; R127-E129 VanDerWaalsContact CZ-OE2 3.24Å; R127-E129 IonicContact NE-OE2 2.8Å; R127-E129 PolarHBondContact NE-OE2 2.84Å; R127-E129 IonicContact NH2-OE2 2.71Å; R127-E129 PolarHBondContact NH2-OE2 2.84Å; R127-E129 PolarHBondContact O-N 3.24Å; R127-D130 PolarHBondContact N-OD2 2.88Å; R127-D130 VanDerWaalsContact O-CB 3.25Å; R127-D130 WeakPolarHBondContact O-CB 3.42Å; R127-D130 PolarHBondContact O-N 3.06Å; R127-E462 WeakPolarHBondContact CA-OE1 3.28Å
128	L	89.7	Confident	91.2	Very high	9 Å²	9	43 Å²	43	5%	0.047	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-55.4	-34	170.7	-175.8	77.1	0	0	0	112	D130 L131 L134 E462 L515 K525 I527	L128-D130 PolarHBondContact O-N 3.38Å; L128-L131 HydrophobicContact CD1-CD1 4.3Å; L128-L131 WeakPolarHBondContact O-CB 3.22Å; L128-L131 PolarHBondContact O-N 2.88Å; L128-L131 VanDerWaalsContact O-N 3.09Å; L128-L134 HydrophobicContact CD1-CD1 4.44Å; L128-L134 HydrophobicContact CD2-CD2 3.85Å; L128-L134 HydrophobicContact CG-CD1 4.04Å; L128-L134 HydrophobicContact CG-CD2 3.85Å; L128-E462 WeakPolarHBondContact CB-OE1 3.42Å; L128-E462 PolarHBondContact N-OE1 3.12Å; L128-L515 HydrophobicContact CD1-CD1 4.4Å; L128-K525 HydrophobicContact CD2-CB 4.05Å; L128-K525 HydrophobicContact CD2-CD 4.29Å; L128-K525 HydrophobicContact CD2-CG 4.48Å; L128-I527 HydrophobicContact CD1-CD1 3.85Å; L128-I527 HydrophobicContact CD2-CD1 3.64Å; L128-I527 HydrophobicContact CG-CD1 4.31Å
129	E	90.8	Very high	90.8	Very high	52 Å²	52	45.6 Å²	45.6	24%	0.243	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-65	-16.3	176	-69	78.2	-132.2	0	0	114	F22 R127 L131 L134 R530	F22-E129 HydrophobicContact CE1-CB 4.18Å; F22-E129 HydrophobicContact CE1-CG 4.42Å; R127-E129 IonicContact CZ-OE2 3.39Å; R127-E129 VanDerWaalsContact CZ-OE2 3.24Å; R127-E129 IonicContact NE-OE2 2.8Å; R127-E129 PolarHBondContact NE-OE2 2.84Å; R127-E129 IonicContact NH2-OE2 2.71Å; R127-E129 PolarHBondContact NH2-OE2 2.84Å; R127-E129 PolarHBondContact O-N 3.24Å; E129-L131 PolarHBondContact O-N 3.04Å; E129-L134 HydrophobicContact CG-CD2 4.38Å; E129-R530 IonicContact OE1-CZ 3.64Å; E129-R530 IonicContact OE1-NH1 2.8Å; E129-R530 IonicContact OE1-NH2 3.5Å; E129-R530 PolarHBondContact OE1-NH2 3.35Å
130	D	90.8	Very high	90.3	Very high	85 Å²	85	42.8 Å²	42.8	46%	0.455	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-74.5	-10.6	173.4	-56.1	-27.2	0	0	0	112.1	P125 S126 R127 L128	P125-D130 HydrophobicContact CB-CB 4.06Å; S126-D130 WeakPolarHBondContact CA-OD2 3.47Å; S126-D130 WeakPolarHBondContact CB-OD2 3.27Å; S126-D130 PolarHBondContact N-OD2 3Å; S126-D130 PolarHBondContact OG-OD2 2.91Å; R127-D130 PolarHBondContact N-OD2 2.88Å; R127-D130 VanDerWaalsContact O-CB 3.25Å; R127-D130 WeakPolarHBondContact O-CB 3.42Å; R127-D130 PolarHBondContact O-N 3.06Å; L128-D130 PolarHBondContact O-N 3.38Å
131	L	93.9	Very high	89.6	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.016	19%	0.192	C	C	.	.	S	Bend	trans	-89.8	127	179.4	-60.7	-177.7	0	0	0	111.9	R78 P125 L128 E129 A133 L134 C509 L515	R78-L131 HydrophobicContact CG-CD2 4.26Å; P125-L131 HydrophobicContact CB-CD2 4.09Å; P125-L131 HydrophobicContact CB-CG 4.45Å; P125-L131 HydrophobicContact CG-CD2 4.16Å; L128-L131 HydrophobicContact CD1-CD1 4.3Å; L128-L131 WeakPolarHBondContact O-CB 3.22Å; L128-L131 PolarHBondContact O-N 2.88Å; L128-L131 VanDerWaalsContact O-N 3.09Å; E129-L131 PolarHBondContact O-N 3.04Å; L131-A133 PolarHBondContact O-N 3.29Å; L131-L134 HydrophobicContact CB-CD1 4.41Å; L131-L134 PolarHBondContact O-N 3.21Å; L131-L134 VanDerWaalsContact O-N 3.13Å; L131-C509 HydrophobicContact CD2-CB 4.38Å; L131-L515 HydrophobicContact CD1-CD1 4.21Å; L131-L515 HydrophobicContact CD1-CD2 3.76Å
132	F	95.6	Very high	88.4	Confident	11 Å²	11	38.3 Å²	38.3	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-55	-31.3	-172.6	-173.3	-108.5	0	0	0	114.9	L41 Q42 E44 Y62 L134 A135 Y136 L510	L41-F132 HydrophobicContact CB-CZ 4.34Å; L41-F132 HydrophobicContact CD1-CE1 4.18Å; Q42-F132 WeakPolarHBondContact O-CZ 3.29Å; E44-F132 HydrophobicContact CB-CE2 4.04Å; E44-F132 HydrophobicContact CB-CZ 3.79Å; Y62-F132 HydrophobicContact CD1-CD1 4.4Å; Y62-F132 HydrophobicContact CD1-CE1 4.26Å; Y62-F132 HydrophobicContact CD2-CB 3.96Å; Y62-F132 AromaticContact CD2-CD1 3.27Å; Y62-F132 HydrophobicContact CD2-CD1 3.27Å; Y62-F132 AromaticContact CD2-CE1 3.93Å; Y62-F132 HydrophobicContact CD2-CE1 3.93Å; Y62-F132 AromaticContact CD2-CG 3.7Å; Y62-F132 HydrophobicContact CD2-CG 3.7Å; Y62-F132 AromaticContact CE2-CD1 3.98Å; Y62-F132 HydrophobicContact CE2-CD1 3.98Å; Y62-F132 AromaticContact CG-CD1 3.54Å; Y62-F132 HydrophobicContact CG-CD1 3.54Å; Y62-F132 AromaticContact CG-CE1 3.75Å; Y62-F132 HydrophobicContact CG-CE1 3.75Å; Y62-F132 AromaticContact CG-CG 3.97Å; Y62-F132 HydrophobicContact CG-CG 3.97Å; Y62-F132 HydrophobicContact CG-CZ 4.37Å; F132-L134 PolarHBondContact O-N 3.41Å; F132-L134 VanDerWaalsContact O-N 3.08Å; F132-A135 HydrophobicContact CD2-CB 4.36Å; F132-A135 PolarHBondContact O-N 3.06Å; F132-A135 VanDerWaalsContact O-N 3.08Å; F132-Y136 AromaticContact CE1-CD2 3.98Å; F132-Y136 HydrophobicContact CE1-CD2 3.98Å; F132-Y136 HydrophobicContact CE1-CG 4.12Å; F132-Y136 HydrophobicContact CZ-CD2 4.3Å; F132-Y136 WeakPolarHBondContact O-CB 3.4Å; F132-Y136 PolarHBondContact O-N 3.22Å; F132-L510 HydrophobicContact CD1-CD1 3.75Å; F132-L510 HydrophobicContact CE1-CD1 3.6Å
133	A	95.1	Very high	86.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-52.1	-31.6	177.8	0	0	0	0	0	114.3	L131 H137 C509 L510 T531	L131-A133 PolarHBondContact O-N 3.29Å; A133-H137 VanDerWaalsContact O-CB 3.28Å; A133-H137 WeakPolarHBondContact O-CB 3.3Å; A133-H137 PolarHBondContact O-N 3.47Å; A133-C509 WeakPolarHBondContact CA-O 3.3Å; A133-C509 WeakPolarHBondContact CB-O 3.49Å; A133-C509 PolarHBondContact N-O 3.09Å; A133-L510 WeakPolarHBondContact CA-O 3.05Å; A133-T531 HydrophobicContact CB-CG2 3.94Å
134	L	93.5	Very high	85.2	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-79.4	-42	179.2	-75.3	78	0	0	0	111.5	F22 L128 E129 L131 F132 A138 L515 T531	F22-L134 HydrophobicContact CE1-CB 4.06Å; F22-L134 HydrophobicContact CZ-CB 3.76Å; L128-L134 HydrophobicContact CD1-CD1 4.44Å; L128-L134 HydrophobicContact CD2-CD2 3.85Å; L128-L134 HydrophobicContact CG-CD1 4.04Å; L128-L134 HydrophobicContact CG-CD2 3.85Å; E129-L134 HydrophobicContact CG-CD2 4.38Å; L131-L134 HydrophobicContact CB-CD1 4.41Å; L131-L134 PolarHBondContact O-N 3.21Å; L131-L134 VanDerWaalsContact O-N 3.13Å; F132-L134 PolarHBondContact O-N 3.41Å; F132-L134 VanDerWaalsContact O-N 3.08Å; L134-A138 WeakPolarHBondContact O-CB 3.31Å; L134-A138 PolarHBondContact O-N 2.89Å; L134-L515 HydrophobicContact CD1-CD1 4.46Å; L134-T531 HydrophobicContact CD1-CG2 3.66Å; L134-T531 HydrophobicContact CG-CG2 3.95Å
135	A	93.1	Very high	83.6	Confident	7 Å²	7	39.4 Å²	39.4	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-49.4	173.9	0	0	0	0	0	111.1	F22 F132 H137 A138 W139	F22-A135 HydrophobicContact CB-CB 3.91Å; F22-A135 HydrophobicContact CD1-CB 3.72Å; F22-A135 HydrophobicContact CD2-CB 4.44Å; F22-A135 HydrophobicContact CE1-CB 4.36Å; F22-A135 HydrophobicContact CG-CB 3.77Å; F132-A135 HydrophobicContact CD2-CB 4.36Å; F132-A135 PolarHBondContact O-N 3.06Å; F132-A135 VanDerWaalsContact O-N 3.08Å; A135-H137 VanDerWaalsContact C-N 3.35Å; A135-H137 PolarHBondContact O-N 3.44Å; A135-A138 PolarHBondContact O-N 2.85Å; A135-W139 WeakPolarHBondContact O-CB 3.41Å; A135-W139 VanDerWaalsContact O-CD1 3.25Å; A135-W139 PolarHBondContact O-N 2.88Å
136	Y	92.9	Very high	81.9	Confident	39 Å²	39	47.5 Å²	47.5	15%	0.153	28%	0.281	C	S	.	.	H	α-helix	trans	-53.2	-50.1	177.3	178.7	-108.4	0	0	0	112	L41 Q42 F132 W139 C140 L510 C532	L41-Y136 HydrophobicContact CB-CD2 4.35Å; L41-Y136 HydrophobicContact CB-CE2 4.31Å; Q42-Y136 HydrophobicContact CB-CD2 4.36Å; Q42-Y136 HydrophobicContact CB-CE2 4.38Å; Q42-Y136 WeakPolarHBondContact O-CD2 3.23Å; F132-Y136 AromaticContact CE1-CD2 3.98Å; F132-Y136 HydrophobicContact CE1-CD2 3.98Å; F132-Y136 HydrophobicContact CE1-CG 4.12Å; F132-Y136 HydrophobicContact CZ-CD2 4.3Å; F132-Y136 WeakPolarHBondContact O-CB 3.4Å; F132-Y136 PolarHBondContact O-N 3.22Å; Y136-W139 PolarHBondContact O-N 3.06Å; Y136-C140 WeakPolarHBondContact O-CB 3.36Å; Y136-C140 PolarHBondContact O-N 3.49Å; Y136-C140 PolarHBondContact O-SG 3.35Å; Y136-L510 HydrophobicContact CD1-CD1 3.87Å; Y136-L510 HydrophobicContact CD2-CD1 3.88Å; Y136-L510 HydrophobicContact CE1-CD1 4.19Å; Y136-L510 HydrophobicContact CE2-CD1 4.21Å; Y136-L510 HydrophobicContact CG-CD1 3.72Å; Y136-C532 HydrophobicContact CD1-CB 4.25Å; Y136-C532 HydrophobicContact CE1-CB 4.08Å
137	H	90	Very high	80.4	Confident	9 Å²	9	48.1 Å²	48.1	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-48.6	177.3	168.9	-88.6	0	0	0	112.9	A133 A135 W139 C140 L141 H151 C155 K529 R530 T531	A133-H137 VanDerWaalsContact O-CB 3.28Å; A133-H137 WeakPolarHBondContact O-CB 3.3Å; A133-H137 PolarHBondContact O-N 3.47Å; A135-H137 VanDerWaalsContact C-N 3.35Å; A135-H137 PolarHBondContact O-N 3.44Å; H137-W139 VanDerWaalsContact C-N 3.33Å; H137-W139 PolarHBondContact O-N 3.23Å; H137-C140 PolarHBondContact O-N 2.92Å; H137-L141 WeakPolarHBondContact CE1-CD1 3.44Å; H137-L141 PolarHBondContact O-N 3.1Å; H137-H151 AromaticContact NE2-CE1 3.53Å; H137-H151 AromaticContact NE2-ND1 3.98Å; H137-C155 PolarHBondContact CD2-SG 3.48Å; H137-C155 PolarHBondContact NE2-SG 2.96Å; H137-C155 VanDerWaalsContact NE2-SG 3.4Å; H137-K529 PolarHBondContact CE1-O 2.84Å; H137-R530 VanDerWaalsContact ND1-C 3.29Å; H137-R530 PolarHBondContact ND1-O 3.35Å; H137-T531 VanDerWaalsContact CD2-C 3.41Å; H137-T531 PolarHBondContact CD2-N 2.89Å
138	A	89.1	Confident	78.8	Confident	16 Å²	16	49.3 Å²	49.3	13%	0.132	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-42.4	-180	0	0	0	0	0	111.9	A18 F22 L134 A135 L141 G142	A18-A138 VanDerWaalsContact CB-C 3.46Å; A18-A138 HydrophobicContact CB-CB 4.11Å; A18-A138 VanDerWaalsContact CB-O 3.22Å; A18-A138 WeakPolarHBondContact CB-O 3.49Å; F22-A138 HydrophobicContact CD2-CB 3.68Å; F22-A138 HydrophobicContact CE2-CB 3.66Å; L134-A138 WeakPolarHBondContact O-CB 3.31Å; L134-A138 PolarHBondContact O-N 2.89Å; A135-A138 PolarHBondContact O-N 2.85Å; A138-L141 PolarHBondContact O-N 3.35Å; A138-G142 PolarHBondContact O-N 2.92Å
139	W	87.9	Confident	77.1	Confident	53 Å²	53	54.4 Å²	54.4	20%	0.201	32%	0.318	C	S	.	.	H	α-helix	trans	-72.9	-32.3	178.6	-80.4	80.7	0	0	0	113.1	A18 K19 F22 Q24 Q42 A135 Y136 H137 G142 A143	A18-W139 HydrophobicContact CB-CB 4.33Å; A18-W139 HydrophobicContact CB-CD2 4.16Å; A18-W139 HydrophobicContact CB-CG 3.84Å; A18-W139 PolarHBondContact O-NE1 2.84Å; K19-W139 HydrophobicContact CB-CH2 3.74Å; K19-W139 HydrophobicContact CB-CZ2 3.57Å; F22-W139 PolarHBondContact O-NE1 2.91Å; Q24-W139 HydrophobicContact CG-CH2 4.36Å; Q24-W139 HydrophobicContact CG-CZ2 4.08Å; Q42-W139 HydrophobicContact CB-CB 4.16Å; A135-W139 WeakPolarHBondContact O-CB 3.41Å; A135-W139 VanDerWaalsContact O-CD1 3.25Å; A135-W139 PolarHBondContact O-N 2.88Å; Y136-W139 PolarHBondContact O-N 3.06Å; H137-W139 VanDerWaalsContact C-N 3.33Å; H137-W139 PolarHBondContact O-N 3.23Å; W139-G142 PolarHBondContact O-N 2.63Å; W139-A143 PolarHBondContact O-N 3.11Å
140	C	84	Confident	75.5	Confident	17 Å²	17	56.1 Å²	56.1	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-61.2	-48.9	169.1	-70.4	0	0	0	0	111.2	Y136 H137 G142 A143 S144	Y136-C140 WeakPolarHBondContact O-CB 3.36Å; Y136-C140 PolarHBondContact O-N 3.49Å; Y136-C140 PolarHBondContact O-SG 3.35Å; H137-C140 PolarHBondContact O-N 2.92Å; C140-G142 VanDerWaalsContact C-N 3.34Å; C140-G142 PolarHBondContact O-N 3.12Å; C140-A143 PolarHBondContact O-N 3.09Å; C140-A143 VanDerWaalsContact O-N 3.1Å; C140-S144 PolarHBondContact O-N 3.34Å; C140-S144 PolarHBondContact O-OG 3.22Å
141	L	77.2	Confident	73.9	Confident	65 Å²	65	54.1 Å²	54.1	34%	0.34	31%	0.314	S	S	.	.	H	α-helix	trans	-57.9	-44.2	175.3	-90	175	0	0	0	112.6	H137 A138 A143 S144 A145 H151	H137-L141 WeakPolarHBondContact CE1-CD1 3.44Å; H137-L141 PolarHBondContact O-N 3.1Å; A138-L141 PolarHBondContact O-N 3.35Å; L141-A143 PolarHBondContact O-N 2.92Å; L141-A143 VanDerWaalsContact O-N 3.13Å; L141-S144 PolarHBondContact O-N 3.36Å; L141-S144 VanDerWaalsContact O-N 3.11Å; L141-A145 PolarHBondContact O-N 2.99Å; L141-H151 HydrophobicContact CD2-CB 3.79Å; L141-H151 WeakPolarHBondContact CD2-ND1 3.45Å
142	G	66.6	Low	72.2	Confident	55 Å²	55	56 Å²	56	57%	0.567	33%	0.325	S	S	*	.	H	α-helix	trans	-64.1	-13.6	177.9	0	0	0	0	0	114.8	A138 W139 C140	A138-G142 PolarHBondContact O-N 2.92Å; W139-G142 PolarHBondContact O-N 2.63Å; C140-G142 VanDerWaalsContact C-N 3.34Å; C140-G142 PolarHBondContact O-N 3.12Å
143	A	58.4	Low	70.7	Confident	73 Å²	73	61.7 Å²	61.7	60%	0.603	35%	0.352	S	S	*	.	H	α-helix	trans	-101.7	-10.2	175.8	0	0	0	0	0	113.7	W139 C140 L141	W139-A143 PolarHBondContact O-N 3.11Å; C140-A143 PolarHBondContact O-N 3.09Å; C140-A143 VanDerWaalsContact O-N 3.1Å; L141-A143 PolarHBondContact O-N 2.92Å; L141-A143 VanDerWaalsContact O-N 3.13Å
144	S	53.5	Low	69.1	Low	30 Å²	30	64 Å²	64	21%	0.21	36%	0.364	C	S	.	.			trans	-125.6	36.8	-177.5	73.6	0	0	0	0	112.4	C140 L141 D146 D147	C140-S144 PolarHBondContact O-N 3.34Å; C140-S144 PolarHBondContact O-OG 3.22Å; L141-S144 PolarHBondContact O-N 3.36Å; L141-S144 VanDerWaalsContact O-N 3.11Å; S144-D146 PolarHBondContact O-N 3.44Å; S144-D146 VanDerWaalsContact O-N 3.09Å; S144-D147 PolarHBondContact O-N 3.44Å
145	A	50.2	Low	67.6	Low	86 Å²	86	64.1 Å²	64.1	71%	0.711	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.6	-166.5	0	0	0	0	0	115.5	L141	L141-A145 PolarHBondContact O-N 2.99Å
146	D	51.5	Low	66.3	Low	174 Å²	174	69.1 Å²	69.1	93%	0.93	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	1.9	-177.9	-58.3	-49.9	0	0	0	113.6	S144	S144-D146 PolarHBondContact O-N 3.44Å; S144-D146 VanDerWaalsContact O-N 3.09Å
147	D	55.7	Low	64.8	Low	83 Å²	83	68 Å²	68	44%	0.444	38%	0.38	S	S	.	.			trans	-138.3	87.3	-167.8	-164	-9.8	0	0	0	112.8	S144 D149 Q150	S144-D147 PolarHBondContact O-N 3.44Å; D147-D149 VanDerWaalsContact C-N 3.32Å; D147-D149 PolarHBondContact O-N 2.88Å; D147-Q150 HydrophobicContact CB-CB 4.35Å; D147-Q150 PolarHBondContact O-N 2.99Å
148	E	54.5	Low	63.9	Low	167 Å²	167	68.7 Å²	68.7	78%	0.78	39%	0.389	S	S	*	.	H	α-helix	trans	-63.8	-32.6	-178.3	-75.2	-133.5	127.4	0	0	113.4	Q150 H151 V152	E148-Q150 VanDerWaalsContact C-N 3.26Å; E148-Q150 PolarHBondContact O-N 2.9Å; E148-H151 WeakPolarHBondContact O-CB 3.48Å; E148-H151 PolarHBondContact O-N 2.94Å; E148-H151 VanDerWaalsContact O-N 3.12Å; E148-V152 PolarHBondContact O-N 3.11Å
149	D	55.4	Low	63.1	Low	116 Å²	116	72 Å²	72	62%	0.62	41%	0.405	S	S	*	.	H	α-helix	trans	-63.3	-36.5	-179.7	-74.6	-31.9	0	0	0	110.9	D147 H151 V152 H153	D147-D149 VanDerWaalsContact C-N 3.32Å; D147-D149 PolarHBondContact O-N 2.88Å; D149-H151 VanDerWaalsContact C-N 3.32Å; D149-H151 PolarHBondContact O-N 2.88Å; D149-V152 PolarHBondContact O-N 3.37Å; D149-H153 PolarHBondContact O-CD2 2.79Å; D149-H153 VanDerWaalsContact O-CD2 3.24Å; D149-H153 PolarHBondContact O-N 3.2Å
150	Q	56.5	Low	62.5	Low	87 Å²	87	71.8 Å²	71.8	41%	0.407	41%	0.406	S	S	.	.	H	α-helix	trans	-65.5	-32.8	176.7	-172.9	55.8	102.2	0	0	112.5	D147 E148 L154	D147-Q150 HydrophobicContact CB-CB 4.35Å; D147-Q150 PolarHBondContact O-N 2.99Å; E148-Q150 VanDerWaalsContact C-N 3.26Å; E148-Q150 PolarHBondContact O-N 2.9Å; Q150-L154 HydrophobicContact CG-CD1 4.34Å; Q150-L154 WeakPolarHBondContact O-CG 3.21Å; Q150-L154 PolarHBondContact O-N 2.91Å
151	H	57.8	Low	62.2	Low	43 Å²	43	71 Å²	71	20%	0.199	40%	0.401	C	S	.	.	H	α-helix	trans	-65.1	-42.8	173.4	168.7	58.8	0	0	0	112	H137 L141 E148 D149 H153 L154 C155	H137-H151 AromaticContact NE2-CE1 3.53Å; H137-H151 AromaticContact NE2-ND1 3.98Å; L141-H151 HydrophobicContact CD2-CB 3.79Å; L141-H151 WeakPolarHBondContact CD2-ND1 3.45Å; E148-H151 WeakPolarHBondContact O-CB 3.48Å; E148-H151 PolarHBondContact O-N 2.94Å; E148-H151 VanDerWaalsContact O-N 3.12Å; D149-H151 VanDerWaalsContact C-N 3.32Å; D149-H151 PolarHBondContact O-N 2.88Å; H151-H153 VanDerWaalsContact C-N 3.34Å; H151-H153 PolarHBondContact O-N 2.73Å; H151-L154 PolarHBondContact O-N 3.1Å; H151-C155 PolarHBondContact CE1-SG 2.83Å; H151-C155 PolarHBondContact ND1-SG 2.95Å; H151-C155 PolarHBondContact O-N 3.19Å; H151-C155 PolarHBondContact O-SG 3.02Å
152	V	57.7	Low	62.2	Low	43 Å²	43	73.6 Å²	73.6	26%	0.261	41%	0.406	S	S	.	.	H	α-helix	trans	-58	-46.1	-179.7	176.5	0	0	0	0	111.1	E148 D149 L154 R156	E148-V152 PolarHBondContact O-N 3.11Å; D149-V152 PolarHBondContact O-N 3.37Å; V152-L154 VanDerWaalsContact C-N 3.34Å; V152-L154 PolarHBondContact O-N 3.05Å; V152-R156 HydrophobicContact CG1-CG 4.41Å; V152-R156 WeakPolarHBondContact O-CB 3.43Å; V152-R156 PolarHBondContact O-N 3.38Å; V152-R156 VanDerWaalsContact O-N 3.12Å
153	H	63.2	Low	63	Low	131 Å²	131	74.9 Å²	74.9	61%	0.606	40%	0.397	S	S	*	.	H	α-helix	trans	-68.4	-25.3	-179.9	-72.2	-61.3	0	0	0	114.9	D149 H151 S536	D149-H153 PolarHBondContact O-CD2 2.79Å; D149-H153 VanDerWaalsContact O-CD2 3.24Å; D149-H153 PolarHBondContact O-N 3.2Å; H151-H153 VanDerWaalsContact C-N 3.34Å; H151-H153 PolarHBondContact O-N 2.73Å; H153-S536 WeakPolarHBondContact O-CB 3.18Å; H153-S536 PolarHBondContact O-OG 3.14Å
154	L	62.1	Low	64.5	Low	47 Å²	47	73.4 Å²	73.4	25%	0.246	38%	0.376	C	S	.	.	H	α-helix	trans	-85	-25.1	-179.4	-71.8	170.4	0	0	0	113.7	Q150 H151 V152 C532 S533 S536	Q150-L154 HydrophobicContact CG-CD1 4.34Å; Q150-L154 WeakPolarHBondContact O-CG 3.21Å; Q150-L154 PolarHBondContact O-N 2.91Å; H151-L154 PolarHBondContact O-N 3.1Å; V152-L154 VanDerWaalsContact C-N 3.34Å; V152-L154 PolarHBondContact O-N 3.05Å; L154-C532 VanDerWaalsContact O-CA 3.27Å; L154-C532 WeakPolarHBondContact O-CA 3.38Å; L154-C532 WeakPolarHBondContact O-CB 3.25Å; L154-S533 PolarHBondContact O-N 3.29Å; L154-S536 PolarHBondContact O-OG 3.33Å
155	C	62.4	Low	66.3	Low	5 Å²	5	74 Å²	74	3%	0.034	38%	0.375	C	S	.	.	H	α-helix	trans	-112.8	-28.7	-168.2	-49.2	0	0	0	0	113.1	H137 H151	H137-C155 PolarHBondContact CD2-SG 3.48Å; H137-C155 PolarHBondContact NE2-SG 2.96Å; H137-C155 VanDerWaalsContact NE2-SG 3.4Å; H151-C155 PolarHBondContact CE1-SG 2.83Å; H151-C155 PolarHBondContact ND1-SG 2.95Å; H151-C155 PolarHBondContact O-N 3.19Å; H151-C155 PolarHBondContact O-SG 3.02Å
156	R	65.3	Low	68.3	Low	113 Å²	113	73.8 Å²	73.8	43%	0.426	36%	0.36	S	S	.	.			trans	-93.3	141.4	-176.4	-56.9	-165.8	-168.8	157.1	5.6	111.7	V152 G158	V152-R156 HydrophobicContact CG1-CG 4.41Å; V152-R156 WeakPolarHBondContact O-CB 3.43Å; V152-R156 PolarHBondContact O-N 3.38Å; V152-R156 VanDerWaalsContact O-N 3.12Å; R156-G158 PolarHBondContact O-N 3.04Å; R156-G158 VanDerWaalsContact O-N 3.14Å
157	P	61.8	Low	70.2	Confident	16 Å²	16	68.8 Å²	68.8	10%	0.104	33%	0.332	C	S	.	.			trans	-70.7	1.8	172.9	31.1	-37	0	0	0	114	H160 V161 Q440	P157-H160 PolarHBondContact O-CE1 3.38Å; P157-H160 PolarHBondContact O-NE2 3.35Å; P157-V161 HydrophobicContact CB-CB 3.74Å; P157-V161 HydrophobicContact CB-CG1 3.73Å; P157-V161 HydrophobicContact CB-CG2 3.97Å; P157-V161 HydrophobicContact CG-CB 3.71Å; P157-V161 HydrophobicContact CG-CG1 3.43Å; P157-V161 VanDerWaalsContact CG-CG1 3.43Å; P157-V161 HydrophobicContact CG-CG2 4.48Å; P157-Q440 PolarHBondContact O-NE2 3.03Å
158	G	70.8	Confident	72.1	Confident	23 Å²	23	65.4 Å²	65.4	24%	0.237	31%	0.313	C	S	.	.			trans	94.5	163.3	-171.8	0	0	0	0	0	113.2	R156 H160 V161 R162	R156-G158 PolarHBondContact O-N 3.04Å; R156-G158 VanDerWaalsContact O-N 3.14Å; G158-H160 VanDerWaalsContact C-N 3.34Å; G158-V161 PolarHBondContact O-N 3.18Å; G158-R162 PolarHBondContact O-N 2.97Å
159	D	72.8	Confident	74	Confident	86 Å²	86	58.1 Å²	58.1	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-72.6	-26.9	-176.3	-83.7	-76.9	0	0	0	113.6	V161 R162 H163 M167	D159-V161 PolarHBondContact O-N 3.5Å; D159-R162 PolarHBondContact O-N 3.47Å; D159-R162 VanDerWaalsContact O-N 3.13Å; D159-R162 IonicContact OD1-CZ 3.35Å; D159-R162 IonicContact OD1-NE 3.72Å; D159-R162 PolarHBondContact OD1-NE 3.08Å; D159-R162 IonicContact OD1-NH2 3.63Å; D159-R162 PolarHBondContact OD1-NH2 2.99Å; D159-H163 PolarHBondContact O-N 3.34Å; D159-H163 PolarHBondContact O-ND1 2.97Å; D159-H163 IonicContact OD1-CE1 2.79Å; D159-H163 PolarHBondContact OD1-CE1 2.87Å; D159-M167 WeakPolarHBondContact O-CE 3.46Å
160	H	75.3	Confident	75.9	Confident	48 Å²	48	61 Å²	61	22%	0.222	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-33.5	171	62.3	-69.3	0	0	0	112.4	P157 G158 M167 E437 Q440	P157-H160 PolarHBondContact O-CE1 3.38Å; P157-H160 PolarHBondContact O-NE2 3.35Å; G158-H160 VanDerWaalsContact C-N 3.34Å; H160-M167 VanDerWaalsContact CA-CE 3.46Å; H160-M167 WeakPolarHBondContact O-CE 3.22Å; H160-E437 HydrophobicContact CB-CG 4.32Å; H160-E437 WeakPolarHBondContact CD2-CG 3.25Å; H160-Q440 PolarHBondContact NE2-OE1 3.18Å
161	V	77.8	Confident	77.7	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-81.6	-40.9	171	172.2	0	0	0	0	111.5	P157 G158 D159 H163 R164 Q440 V441 E444	P157-V161 HydrophobicContact CB-CB 3.74Å; P157-V161 HydrophobicContact CB-CG1 3.73Å; P157-V161 HydrophobicContact CB-CG2 3.97Å; P157-V161 HydrophobicContact CG-CB 3.71Å; P157-V161 HydrophobicContact CG-CG1 3.43Å; P157-V161 VanDerWaalsContact CG-CG1 3.43Å; P157-V161 HydrophobicContact CG-CG2 4.48Å; G158-V161 PolarHBondContact O-N 3.18Å; D159-V161 PolarHBondContact O-N 3.5Å; V161-H163 VanDerWaalsContact C-N 3.32Å; V161-H163 PolarHBondContact O-N 3.1Å; V161-R164 VanDerWaalsContact O-CB 3.24Å; V161-R164 WeakPolarHBondContact O-CB 3.3Å; V161-R164 VanDerWaalsContact O-CD 3.29Å; V161-R164 WeakPolarHBondContact O-CD 3.36Å; V161-R164 WeakPolarHBondContact O-CG 3.36Å; V161-R164 PolarHBondContact O-N 3.27Å; V161-R164 VanDerWaalsContact O-N 3.1Å; V161-R164 PolarHBondContact O-NH1 3.24Å; V161-Q440 HydrophobicContact CG2-CG 3.85Å; V161-V441 HydrophobicContact CG2-CG2 4.11Å; V161-E444 HydrophobicContact CG1-CB 4.03Å; V161-E444 HydrophobicContact CG1-CG 3.75Å; V161-E444 HydrophobicContact CG2-CG 4.17Å
162	R	77.3	Confident	79.5	Confident	119 Å²	119	57.8 Å²	57.8	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-55.6	-40.3	-174.6	-94.9	161.3	32.3	70.6	1.3	114.4	G158 D159	G158-R162 PolarHBondContact O-N 2.97Å; D159-R162 PolarHBondContact O-N 3.47Å; D159-R162 VanDerWaalsContact O-N 3.13Å; D159-R162 IonicContact OD1-CZ 3.35Å; D159-R162 IonicContact OD1-NE 3.72Å; D159-R162 PolarHBondContact OD1-NE 3.08Å; D159-R162 IonicContact OD1-NH2 3.63Å; D159-R162 PolarHBondContact OD1-NH2 2.99Å
163	H	83.2	Confident	81.3	Confident	81 Å²	81	57.6 Å²	57.6	38%	0.375	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	29.2	178.9	-38.3	94.6	0	0	0	111.9	D159 V161 M165 E166 M167	D159-H163 PolarHBondContact O-N 3.34Å; D159-H163 PolarHBondContact O-ND1 2.97Å; D159-H163 IonicContact OD1-CE1 2.79Å; D159-H163 PolarHBondContact OD1-CE1 2.87Å; V161-H163 VanDerWaalsContact C-N 3.32Å; V161-H163 PolarHBondContact O-N 3.1Å; H163-M165 PolarHBondContact O-N 2.79Å; H163-E166 PolarHBondContact O-N 2.98Å; H163-E166 VanDerWaalsContact O-N 3.16Å; H163-M167 HydrophobicContact CB-CE 3.88Å; H163-M167 WeakPolarHBondContact O-CE 3.37Å; H163-M167 PolarHBondContact O-N 3.18Å
164	R	89.9	Confident	82.9	Confident	43 Å²	43	52.1 Å²	52.1	16%	0.162	25%	0.246	C	C	.	.	H	α-helix	trans	-55	-35.2	-171.9	62.1	-163.6	167.7	-75.9	0.7	113.5	V161 M167 E168 V441 D449	V161-R164 VanDerWaalsContact O-CB 3.24Å; V161-R164 WeakPolarHBondContact O-CB 3.3Å; V161-R164 VanDerWaalsContact O-CD 3.29Å; V161-R164 WeakPolarHBondContact O-CD 3.36Å; V161-R164 WeakPolarHBondContact O-CG 3.36Å; V161-R164 PolarHBondContact O-N 3.27Å; V161-R164 VanDerWaalsContact O-N 3.1Å; V161-R164 PolarHBondContact O-NH1 3.24Å; R164-M167 PolarHBondContact O-N 3.5Å; R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 WeakPolarHBondContact O-CG 3.41Å; R164-E168 PolarHBondContact O-N 3.26Å; R164-V441 HydrophobicContact CB-CG1 4.31Å; R164-D449 IonicContact CZ-OD1 3.61Å; R164-D449 IonicContact CZ-OD2 2.79Å; R164-D449 IonicContact NE-OD2 3.64Å; R164-D449 PolarHBondContact NE-OD2 3.47Å; R164-D449 IonicContact NH2-OD1 3.52Å; R164-D449 PolarHBondContact NH2-OD1 3Å; R164-D449 IonicContact NH2-OD2 3.42Å; R164-D449 PolarHBondContact NH2-OD2 2.9Å
165	M	91	Very high	84.4	Confident	41 Å²	41	52 Å²	52	20%	0.202	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-52.1	178.1	-175.3	68.2	-179.5	0	0	111	H163 M167 E168 V169 V182 K198 L200	H163-M165 PolarHBondContact O-N 2.79Å; M165-M167 VanDerWaalsContact C-N 3.29Å; M165-M167 PolarHBondContact O-N 3.41Å; M165-E168 PolarHBondContact O-N 3.14Å; M165-V169 HydrophobicContact CE-CG2 4.17Å; M165-V169 WeakPolarHBondContact O-CB 3.32Å; M165-V169 WeakPolarHBondContact O-CG2 3.41Å; M165-V169 PolarHBondContact O-N 3.03Å; M165-V169 HydrophobicContact SD-CG2 4.48Å; M165-V182 HydrophobicContact CE-CG1 4.19Å; M165-V182 HydrophobicContact CE-CG2 4.24Å; M165-K198 HydrophobicContact CE-CB 4.22Å; M165-K198 HydrophobicContact CG-CB 3.9Å; M165-K198 HydrophobicContact CG-CG 4.48Å; M165-K198 HydrophobicContact SD-CB 4.46Å; M165-L200 HydrophobicContact CE-CB 3.97Å
166	E	91.6	Very high	86	Confident	83 Å²	83	55.3 Å²	55.3	39%	0.388	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-32.2	-178.9	-63.1	71.8	-158.1	0	0	112	H163 R170	H163-E166 PolarHBondContact O-N 2.98Å; H163-E166 VanDerWaalsContact O-N 3.16Å; E166-R170 WeakPolarHBondContact O-CB 3.48Å; E166-R170 PolarHBondContact O-N 3.09Å; E166-R170 PolarHBondContact O-NH1 3.23Å
167	M	92.4	Very high	87.3	Confident	68 Å²	68	57.3 Å²	57.3	34%	0.335	28%	0.28	S	S	.	.	H	α-helix	trans	-80.3	-39.8	177.4	-71.7	-177.1	-60.4	0	0	113.1	D159 H160 H163 R164 M165 R170 R171	D159-M167 WeakPolarHBondContact O-CE 3.46Å; H160-M167 VanDerWaalsContact CA-CE 3.46Å; H160-M167 WeakPolarHBondContact O-CE 3.22Å; H163-M167 HydrophobicContact CB-CE 3.88Å; H163-M167 WeakPolarHBondContact O-CE 3.37Å; H163-M167 PolarHBondContact O-N 3.18Å; R164-M167 PolarHBondContact O-N 3.5Å; M165-M167 VanDerWaalsContact C-N 3.29Å; M165-M167 PolarHBondContact O-N 3.41Å; M167-R170 PolarHBondContact O-N 2.89Å; M167-R171 WeakPolarHBondContact O-CB 3.49Å; M167-R171 PolarHBondContact O-N 3.36Å
168	E	94.7	Very high	88.8	Confident	13 Å²	13	61.6 Å²	61.6	6%	0.061	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-42.7	175.1	-79.7	-83.3	80.8	0	0	111.8	R164 M165 R170 R171 M172 K426 Y433 V441	R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 WeakPolarHBondContact O-CG 3.41Å; R164-E168 PolarHBondContact O-N 3.26Å; M165-E168 PolarHBondContact O-N 3.14Å; E168-R170 VanDerWaalsContact C-N 3.32Å; E168-R170 PolarHBondContact O-N 2.92Å; E168-R171 PolarHBondContact O-N 3.08Å; E168-R171 IonicContact OE1-CZ 3.75Å; E168-R171 VanDerWaalsContact OE1-CZ 3.29Å; E168-R171 IonicContact OE1-NE 2.89Å; E168-R171 PolarHBondContact OE1-NE 2.83Å; E168-R171 IonicContact OE1-NH2 3.45Å; E168-R171 PolarHBondContact OE1-NH2 3.11Å; E168-M172 HydrophobicContact CB-CE 3.73Å; E168-M172 HydrophobicContact CG-CE 4.41Å; E168-M172 WeakPolarHBondContact O-CB 3.38Å; E168-M172 WeakPolarHBondContact O-CE 3.35Å; E168-M172 PolarHBondContact O-N 2.91Å; E168-K426 IonicContact OE2-NZ 2.74Å; E168-Y433 WeakPolarHBondContact OE2-CE1 3.47Å; E168-Y433 PolarHBondContact OE2-OH 2.84Å; E168-V441 HydrophobicContact CG-CG1 3.9Å
169	V	94.9	Very high	90.1	Very high	14 Å²	14	60.8 Å²	60.8	9%	0.085	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-42.4	174.3	169.9	0	0	0	0	110.9	M165 G173 F174 T176 V182 L200	M165-V169 HydrophobicContact CE-CG2 4.17Å; M165-V169 WeakPolarHBondContact O-CB 3.32Å; M165-V169 WeakPolarHBondContact O-CG2 3.41Å; M165-V169 PolarHBondContact O-N 3.03Å; M165-V169 HydrophobicContact SD-CG2 4.48Å; V169-G173 PolarHBondContact O-N 3.38Å; V169-F174 HydrophobicContact CG1-CB 4.19Å; V169-F174 HydrophobicContact CG1-CD2 4.38Å; V169-F174 PolarHBondContact O-N 3.49Å; V169-T176 HydrophobicContact CG1-CG2 3.48Å; V169-T176 VanDerWaalsContact CG1-CG2 3.48Å; V169-V182 HydrophobicContact CG2-CG2 4.44Å; V169-L200 HydrophobicContact CG2-CD1 4.26Å; V169-L200 HydrophobicContact CG2-CD2 4.23Å
170	R	94.9	Very high	91.3	Very high	175 Å²	175	56.7 Å²	56.7	66%	0.66	27%	0.271	S	S	*	.	H	α-helix	trans	-67.3	-44.9	174.7	-172.5	-175.9	-61.3	105.3	3.4	112.3	E166 M167 E168 G173	E166-R170 WeakPolarHBondContact O-CB 3.48Å; E166-R170 PolarHBondContact O-N 3.09Å; E166-R170 PolarHBondContact O-NH1 3.23Å; M167-R170 PolarHBondContact O-N 2.89Å; E168-R170 VanDerWaalsContact C-N 3.32Å; E168-R170 PolarHBondContact O-N 2.92Å; R170-G173 PolarHBondContact O-N 3.45Å
171	R	95.3	Very high	92.3	Very high	57 Å²	57	56.6 Å²	56.6	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-42	-175.8	-170.1	-170.2	68.5	78.1	1.3	111.7	M167 E168 G173 Q230 D430 Y432 Y433	M167-R171 WeakPolarHBondContact O-CB 3.49Å; M167-R171 PolarHBondContact O-N 3.36Å; E168-R171 PolarHBondContact O-N 3.08Å; E168-R171 IonicContact OE1-CZ 3.75Å; E168-R171 VanDerWaalsContact OE1-CZ 3.29Å; E168-R171 IonicContact OE1-NE 2.89Å; E168-R171 PolarHBondContact OE1-NE 2.83Å; E168-R171 IonicContact OE1-NH2 3.45Å; E168-R171 PolarHBondContact OE1-NH2 3.11Å; R171-G173 PolarHBondContact O-N 3.45Å; R171-Q230 PolarHBondContact O-NE2 3.03Å; R171-D430 IonicContact CZ-OD2 3.2Å; R171-D430 VanDerWaalsContact CZ-OD2 3.23Å; R171-D430 IonicContact NH1-OD1 3.65Å; R171-D430 PolarHBondContact NH1-OD1 2.82Å; R171-D430 IonicContact NH1-OD2 2.86Å; R171-D430 PolarHBondContact NH1-OD2 3.19Å; R171-D430 IonicContact NH2-OD2 2.79Å; R171-D430 PolarHBondContact NH2-OD2 3.04Å; R171-Y432 VanDerWaalsContact NE-CD1 3.3Å; R171-Y433 PolarHBondContact NH2-OH 3.29Å
172	M	95.4	Very high	93.2	Very high	7 Å²	7	59 Å²	59	3%	0.034	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.2	176.7	-69.1	-176.7	-88.4	0	0	113.7	E168 F174 Y227 R228	E168-M172 HydrophobicContact CB-CE 3.73Å; E168-M172 HydrophobicContact CG-CE 4.41Å; E168-M172 WeakPolarHBondContact O-CB 3.38Å; E168-M172 WeakPolarHBondContact O-CE 3.35Å; E168-M172 PolarHBondContact O-N 2.91Å; M172-F174 HydrophobicContact CB-CD2 3.89Å; M172-F174 HydrophobicContact CB-CE2 3.66Å; M172-F174 HydrophobicContact CE-CE2 4.17Å; M172-F174 HydrophobicContact SD-CE2 4.24Å; M172-Y227 HydrophobicContact SD-CD2 3.45Å; M172-Y227 WeakPolarHBondContact SD-CD2 3.49Å; M172-Y227 HydrophobicContact SD-CE2 4.03Å; M172-Y227 HydrophobicContact SD-CG 4.16Å; M172-R228 HydrophobicContact CB-CB 4.33Å; M172-R228 PolarHBondContact O-NH1 3.41Å; M172-R228 VanDerWaalsContact O-NH1 3.08Å
173	G	95.3	Very high	94.2	Very high	38 Å²	38	53.3 Å²	53.3	39%	0.392	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	41	171.3	0	0	0	0	0	113.8	V169 R170 R171 R228	V169-G173 PolarHBondContact O-N 3.38Å; R170-G173 PolarHBondContact O-N 3.45Å; R171-G173 PolarHBondContact O-N 3.45Å; G173-R228 PolarHBondContact O-NE 2.91Å; G173-R228 PolarHBondContact O-NH1 3.2Å; G173-R228 VanDerWaalsContact O-NH1 3.11Å
174	F	95.8	Very high	94.8	Very high	16 Å²	16	53.3 Å²	53.3	7%	0.07	26%	0.264	C	S	.	.			trans	-68.5	134.7	173	-73	-90.3	0	0	0	111.1	V169 M172 T176 W180 L200 V225 R228 V235	V169-F174 HydrophobicContact CG1-CB 4.19Å; V169-F174 HydrophobicContact CG1-CD2 4.38Å; V169-F174 PolarHBondContact O-N 3.49Å; M172-F174 HydrophobicContact CB-CD2 3.89Å; M172-F174 HydrophobicContact CB-CE2 3.66Å; M172-F174 HydrophobicContact CE-CE2 4.17Å; M172-F174 HydrophobicContact SD-CE2 4.24Å; F174-T176 HydrophobicContact CB-CG2 4.29Å; F174-T176 PolarHBondContact O-N 3.21Å; F174-W180 AromaticContact CD1-CD1 3.69Å; F174-W180 HydrophobicContact CD1-CD2 4.05Å; F174-W180 AromaticContact CD1-CE2 3.95Å; F174-W180 AromaticContact CD1-CG 3.88Å; F174-W180 HydrophobicContact CD1-CG 3.88Å; F174-W180 AromaticContact CD1-NE1 3.69Å; F174-W180 HydrophobicContact CE1-CD2 4.44Å; F174-L200 HydrophobicContact CD1-CD2 3.82Å; F174-L200 HydrophobicContact CD2-CD2 4.1Å; F174-L200 HydrophobicContact CE1-CD2 3.47Å; F174-L200 VanDerWaalsContact CE1-CD2 3.47Å; F174-L200 HydrophobicContact CE2-CD2 3.76Å; F174-L200 HydrophobicContact CG-CD2 4.11Å; F174-L200 HydrophobicContact CZ-CD2 3.42Å; F174-L200 VanDerWaalsContact CZ-CD2 3.42Å; F174-V225 HydrophobicContact CE1-CG1 3.68Å; F174-V225 HydrophobicContact CZ-CG1 3.78Å; F174-R228 HydrophobicContact CD1-CB 4.06Å; F174-R228 HydrophobicContact CD1-CG 4.45Å; F174-R228 HydrophobicContact CD2-CB 4.25Å; F174-R228 HydrophobicContact CE1-CB 3.48Å; F174-R228 VanDerWaalsContact CE1-CB 3.48Å; F174-R228 HydrophobicContact CE1-CG 4.27Å; F174-R228 HydrophobicContact CE2-CB 3.71Å; F174-R228 HydrophobicContact CG-CB 4.42Å; F174-R228 HydrophobicContact CZ-CB 3.3Å; F174-R228 HydrophobicContact CZ-CG 4.46Å; F174-V235 HydrophobicContact CE1-CG1 4.47Å
175	D	95.3	Very high	95.2	Very high	46 Å²	46	52.7 Å²	52.7	25%	0.246	26%	0.264	C	S	.	.			trans	-73.7	92.6	167	-176.3	-10.2	0	0	0	110.7	Q177 N178 V179 W180 D268	D175-Q177 VanDerWaalsContact C-N 3.26Å; D175-Q177 PolarHBondContact O-N 3.3Å; D175-Q177 WeakPolarHBondContact OD1-CA 3.48Å; D175-Q177 WeakPolarHBondContact OD1-CB 3.42Å; D175-Q177 PolarHBondContact OD1-N 3.07Å; D175-N178 PolarHBondContact OD1-N 3.28Å; D175-N178 PolarHBondContact OD1-ND2 3.35Å; D175-N178 WeakPolarHBondContact OD2-CB 3.3Å; D175-N178 PolarHBondContact OD2-ND2 2.88Å; D175-V179 HydrophobicContact CB-CB 4.33Å; D175-V179 HydrophobicContact CB-CG2 4.22Å; D175-V179 PolarHBondContact O-N 3.19Å; D175-W180 PolarHBondContact O-N 3.49Å; D175-D268 PolarHBondContact N-OD2 3.39Å
176	T	94.3	Very high	95.6	Very high	73 Å²	73	50.8 Å²	50.8	45%	0.448	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	9.3	175.3	68.9	0	0	0	0	114.3	V169 F174 W180	V169-T176 HydrophobicContact CG1-CG2 3.48Å; V169-T176 VanDerWaalsContact CG1-CG2 3.48Å; F174-T176 HydrophobicContact CB-CG2 4.29Å; F174-T176 PolarHBondContact O-N 3.21Å; T176-W180 CarbonylContact C-O 3.14Å; T176-W180 WeakPolarHBondContact CA-O 3.38Å
177	Q	92.8	Very high	95.8	Very high	156 Å²	156	49.4 Å²	49.4	73%	0.729	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-40.3	176.8	-62.1	-174.8	3.2	0	0	111.3	D175 I203	D175-Q177 VanDerWaalsContact C-N 3.26Å; D175-Q177 PolarHBondContact O-N 3.3Å; D175-Q177 WeakPolarHBondContact OD1-CA 3.48Å; D175-Q177 WeakPolarHBondContact OD1-CB 3.42Å; D175-Q177 PolarHBondContact OD1-N 3.07Å; Q177-I203 WeakPolarHBondContact O-CD1 3.38Å
178	N	94.6	Very high	95.9	Very high	105 Å²	105	49.7 Å²	49.7	56%	0.561	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	-17.5	-171.3	-45	-78.6	0	0	0	115.1	D175 I203	D175-N178 PolarHBondContact OD1-N 3.28Å; D175-N178 PolarHBondContact OD1-ND2 3.35Å; D175-N178 WeakPolarHBondContact OD2-CB 3.3Å; D175-N178 PolarHBondContact OD2-ND2 2.88Å; N178-I203 WeakPolarHBondContact O-CG2 3.36Å
179	V	96.8	Very high	96.1	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.042	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-41.6	-170.8	-171.5	0	0	0	0	113.9	D175 P202 I203 W204 A264 M267 D268	D175-V179 HydrophobicContact CB-CB 4.33Å; D175-V179 HydrophobicContact CB-CG2 4.22Å; D175-V179 PolarHBondContact O-N 3.19Å; V179-P202 WeakPolarHBondContact O-CA 3.27Å; V179-I203 WeakPolarHBondContact O-CG2 3.5Å; V179-I203 PolarHBondContact O-N 3.34Å; V179-W204 HydrophobicContact CG1-CZ3 4.43Å; V179-A264 HydrophobicContact CG1-CB 3.7Å; V179-A264 WeakPolarHBondContact CG1-O 3.42Å; V179-M267 HydrophobicContact CG1-CB 4.04Å; V179-M267 HydrophobicContact CG2-CB 4.07Å; V179-M267 HydrophobicContact CG2-CE 4.47Å; V179-D268 HydrophobicContact CB-CB 4.02Å; V179-D268 HydrophobicContact CG1-CB 3.82Å; V179-D268 HydrophobicContact CG2-CB 4.06Å
180	W	97.8	Very high	96.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	156.9	-178	-54.9	96.8	0	0	0	111.9	F174 D175 T176 L200 V201 P202 V225 V235 A264 D268	F174-W180 AromaticContact CD1-CD1 3.69Å; F174-W180 HydrophobicContact CD1-CD2 4.05Å; F174-W180 AromaticContact CD1-CE2 3.95Å; F174-W180 AromaticContact CD1-CG 3.88Å; F174-W180 HydrophobicContact CD1-CG 3.88Å; F174-W180 AromaticContact CD1-NE1 3.69Å; F174-W180 HydrophobicContact CE1-CD2 4.44Å; D175-W180 PolarHBondContact O-N 3.49Å; T176-W180 CarbonylContact C-O 3.14Å; T176-W180 WeakPolarHBondContact CA-O 3.38Å; W180-L200 HydrophobicContact CB-CD1 4.19Å; W180-V201 WeakPolarHBondContact CA-O 3.23Å; W180-P202 HydrophobicContact CE3-CG 4.42Å; W180-P202 HydrophobicContact CZ3-CG 4.02Å; W180-V225 HydrophobicContact CE3-CG2 4.48Å; W180-V225 HydrophobicContact CH2-CG2 3.89Å; W180-V225 HydrophobicContact CZ3-CB 4.31Å; W180-V225 HydrophobicContact CZ3-CG2 3.58Å; W180-V235 HydrophobicContact CH2-CG1 4.05Å; W180-V235 HydrophobicContact CH2-CG2 4.37Å; W180-V235 HydrophobicContact CZ2-CG1 3.79Å; W180-A264 HydrophobicContact CD2-CB 4.35Å; W180-A264 HydrophobicContact CE3-CB 4.22Å; W180-A264 HydrophobicContact CH2-CB 3.39Å; W180-A264 HydrophobicContact CZ2-CB 3.55Å; W180-A264 HydrophobicContact CZ3-CB 3.74Å; W180-D268 PolarHBondContact NE1-OD2 3.38Å
181	R	97.2	Very high	96.3	Very high	45 Å²	45	49.6 Å²	49.6	17%	0.17	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.3	165.2	70.1	-178.6	-176.2	95.9	8	110.9	S183 V201 I203 I205 D207	R181-S183 PolarHBondContact NH1-OG 2.84Å; R181-V201 HydrophobicContact CG-CG2 3.78Å; R181-V201 PolarHBondContact N-O 2.79Å; R181-V201 PolarHBondContact O-N 3.35Å; R181-I203 HydrophobicContact CB-CB 4.45Å; R181-I203 HydrophobicContact CB-CG1 4.26Å; R181-I205 PolarHBondContact NE-O 2.75Å; R181-I205 PolarHBondContact NH2-O 3.16Å; R181-D207 IonicContact CZ-OD1 3.78Å; R181-D207 VanDerWaalsContact CZ-OD1 3.26Å; R181-D207 IonicContact NH1-OD1 3.07Å; R181-D207 PolarHBondContact NH1-OD1 3.29Å; R181-D207 IonicContact NH1-OD2 2.76Å; R181-D207 PolarHBondContact NH1-OD2 3.3Å; R181-D207 IonicContact NH2-OD1 3.46Å; R181-D207 PolarHBondContact NH2-OD1 3.04Å
182	V	97.5	Very high	96.4	Very high	52 Å²	52	47 Å²	47	32%	0.315	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	116.5	160.4	-178.9	0	0	0	0	106.9	M165 V169 K198 L200	M165-V182 HydrophobicContact CE-CG1 4.19Å; M165-V182 HydrophobicContact CE-CG2 4.24Å; V169-V182 HydrophobicContact CG2-CG2 4.44Å; V182-K198 HydrophobicContact CG1-CB 3.73Å; V182-K198 HydrophobicContact CG1-CD 3.96Å; V182-K198 HydrophobicContact CG1-CG 4.24Å; V182-L200 HydrophobicContact CG2-CD1 4.01Å
183	S	97.2	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.3	172.8	177.5	0	0	0	0	111	R181 I185 L199 D207	R181-S183 PolarHBondContact NH1-OG 2.84Å; S183-I185 WeakPolarHBondContact OG-CB 3.44Å; S183-I185 WeakPolarHBondContact OG-CG2 3.43Å; S183-I185 PolarHBondContact OG-N 3.42Å; S183-I185 VanDerWaalsContact OG-N 3.14Å; S183-L199 PolarHBondContact N-O 2.96Å; S183-L199 PolarHBondContact O-N 2.91Å; S183-D207 PolarHBondContact OG-OD1 2.91Å
184	D	97.1	Very high	96.7	Very high	80 Å²	80	47.6 Å²	47.6	43%	0.428	25%	0.249	S	C	.	.			trans	-94.4	5.9	175.3	-83	32	0	0	0	112.6	N186 C187 K198	D184-N186 PolarHBondContact O-N 2.95Å; D184-C187 WeakPolarHBondContact O-CB 3.41Å; D184-C187 PolarHBondContact O-N 2.79Å; D184-C187 PolarHBondContact O-SG 2.66Å; D184-K198 VanDerWaalsContact OD1-CD 3.26Å; D184-K198 WeakPolarHBondContact OD1-CD 3.43Å; D184-K198 IonicContact OD1-NZ 3.29Å; D184-K198 PolarHBondContact OD1-NZ 3.18Å; D184-K198 IonicContact OD2-NZ 2.91Å; D184-K198 PolarHBondContact OD2-NZ 3.35Å
185	I	97.9	Very high	96.8	Very high	31 Å²	31	47 Å²	47	16%	0.159	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.5	-179	-163.7	176	0	0	0	113.4	S183 L191 L199 D207 L210 E211	S183-I185 WeakPolarHBondContact OG-CB 3.44Å; S183-I185 WeakPolarHBondContact OG-CG2 3.43Å; S183-I185 PolarHBondContact OG-N 3.42Å; S183-I185 VanDerWaalsContact OG-N 3.14Å; I185-L191 HydrophobicContact CD1-CD1 3.97Å; I185-L191 HydrophobicContact CD1-CD2 4.13Å; I185-L191 HydrophobicContact CG2-CD2 3.74Å; I185-L199 HydrophobicContact CG2-CD1 4.23Å; I185-D207 HydrophobicContact CB-CB 4.34Å; I185-D207 HydrophobicContact CD1-CB 3.63Å; I185-D207 WeakPolarHBondContact CD1-O 3.35Å; I185-D207 HydrophobicContact CG1-CB 4.14Å; I185-L210 HydrophobicContact CD1-CB 3.9Å; I185-L210 HydrophobicContact CD1-CD1 4.49Å; I185-L210 HydrophobicContact CG2-CD1 4.09Å; I185-E211 HydrophobicContact CD1-CG 3.95Å
186	N	98.1	Very high	96.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	13.3	-179.2	-153.5	44.5	0	0	0	113.6	D184 N188 Y189 L191 C192 Y195 P196 Q197 L199	D184-N186 PolarHBondContact O-N 2.95Å; N186-N188 PolarHBondContact O-N 3.25Å; N186-Y189 WeakPolarHBondContact O-CA 3.36Å; N186-Y189 PolarHBondContact O-N 2.58Å; N186-Y189 WeakPolarHBondContact OD1-CA 3.46Å; N186-L191 HydrophobicContact CB-CB 4.3Å; N186-L191 WeakPolarHBondContact OD1-CB 3.44Å; N186-L191 PolarHBondContact OD1-N 2.82Å; N186-L191 VanDerWaalsContact OD1-N 3.13Å; N186-C192 PolarHBondContact ND2-O 3.28Å; N186-C192 PolarHBondContact OD1-N 2.88Å; N186-C192 PolarHBondContact OD1-O 2.86Å; N186-Y195 PolarHBondContact ND2-O 3.08Å; N186-P196 PolarHBondContact ND2-O 2.98Å; N186-Q197 CarbonylContact C-O 3.27Å; N186-Q197 WeakPolarHBondContact O-CA 3.38Å; N186-L199 HydrophobicContact CB-CD1 3.89Å; N186-L199 HydrophobicContact CB-CG 4.18Å
187	C	96.6	Very high	96.9	Very high	55 Å²	55	45.2 Å²	45.2	37%	0.372	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.2	-173.9	64.7	0	0	0	0	114.6	D184 Q197	D184-C187 WeakPolarHBondContact O-CB 3.41Å; D184-C187 PolarHBondContact O-N 2.79Å; D184-C187 PolarHBondContact O-SG 2.66Å; C187-Q197 WeakPolarHBondContact CA-O 3.34Å; C187-Q197 PolarHBondContact N-O 3.07Å; C187-Q197 VanDerWaalsContact N-O 3.09Å
188	N	95.4	Very high	97.1	Very high	73 Å²	73	40.3 Å²	40.3	39%	0.39	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	16.9	178.8	55	37.5	0	0	0	112.5	N186 K190	N186-N188 PolarHBondContact O-N 3.25Å; N188-K190 PolarHBondContact O-N 3.42Å; N188-K190 VanDerWaalsContact OD1-CB 3.26Å; N188-K190 WeakPolarHBondContact OD1-CB 3.47Å; N188-K190 VanDerWaalsContact OD1-CD 3.26Å; N188-K190 WeakPolarHBondContact OD1-CD 3.37Å; N188-K190 WeakPolarHBondContact OD1-CG 3.49Å; N188-K190 PolarHBondContact OD1-N 3.45Å
189	Y	97.5	Very high	97.3	Very high	25 Å²	25	35.3 Å²	35.3	10%	0.098	18%	0.182	C	C	.	.	S	Bend	trans	58.5	20.9	179.6	-46.4	-86	0	0	0	116.1	N186 C192 Y195 Q197 A519 R520 E523	N186-Y189 WeakPolarHBondContact O-CA 3.36Å; N186-Y189 PolarHBondContact O-N 2.58Å; N186-Y189 WeakPolarHBondContact OD1-CA 3.46Å; Y189-C192 CarbonylContact O-C 3.51Å; Y189-Y195 WeakPolarHBondContact CD1-O 3.38Å; Y189-Q197 HydrophobicContact CD1-CG 4.43Å; Y189-Q197 HydrophobicContact CE1-CG 3.72Å; Y189-Q197 HydrophobicContact CE2-CG 3.99Å; Y189-Q197 VanDerWaalsContact CZ-CG 3.48Å; Y189-Q197 PolarHBondContact OH-NE2 3.19Å; Y189-A519 HydrophobicContact CE1-CB 4.15Å; Y189-R520 HydrophobicContact CD1-CB 3.83Å; Y189-R520 HydrophobicContact CD1-CG 4.46Å; Y189-R520 HydrophobicContact CD2-CB 3.77Å; Y189-R520 HydrophobicContact CD2-CG 3.63Å; Y189-R520 HydrophobicContact CE1-CB 3.99Å; Y189-R520 HydrophobicContact CE2-CB 3.92Å; Y189-R520 HydrophobicContact CE2-CG 4.09Å; Y189-R520 HydrophobicContact CG-CB 3.7Å; Y189-R520 HydrophobicContact CG-CG 3.81Å; Y189-E523 WeakPolarHBondContact CE2-OE2 3.25Å; Y189-E523 PolarHBondContact OH-OE2 2.93Å
190	K	96.4	Very high	97.3	Very high	162 Å²	162	35.2 Å²	35.2	70%	0.704	18%	0.181	S	C	*	.	S	Bend	trans	-75.4	-33.4	180	-73.6	173.6	-170.3	169.2	0	114	N188	N188-K190 PolarHBondContact O-N 3.42Å; N188-K190 VanDerWaalsContact OD1-CB 3.26Å; N188-K190 WeakPolarHBondContact OD1-CB 3.47Å; N188-K190 VanDerWaalsContact OD1-CD 3.26Å; N188-K190 WeakPolarHBondContact OD1-CD 3.37Å; N188-K190 WeakPolarHBondContact OD1-CG 3.49Å; N188-K190 PolarHBondContact OD1-N 3.45Å
191	L	97.6	Very high	97.4	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.068	18%	0.181	C	C	.	.	S	Bend	trans	-70.5	-53.6	177.6	-173.5	76.8	0	0	0	109.6	I185 N186 L199 L210 E211 A214 K220 I222	I185-L191 HydrophobicContact CD1-CD1 3.97Å; I185-L191 HydrophobicContact CD1-CD2 4.13Å; I185-L191 HydrophobicContact CG2-CD2 3.74Å; N186-L191 HydrophobicContact CB-CB 4.3Å; N186-L191 WeakPolarHBondContact OD1-CB 3.44Å; N186-L191 PolarHBondContact OD1-N 2.82Å; N186-L191 VanDerWaalsContact OD1-N 3.13Å; L191-L199 HydrophobicContact CD2-CD1 4.11Å; L191-L210 HydrophobicContact CD2-CB 4.4Å; L191-E211 HydrophobicContact CD1-CG 4.08Å; L191-A214 HydrophobicContact CD1-CB 3.47Å; L191-A214 VanDerWaalsContact CD1-CB 3.47Å; L191-A214 HydrophobicContact CD2-CB 4.44Å; L191-A214 HydrophobicContact CG-CB 3.89Å; L191-K220 WeakPolarHBondContact O-CB 3.24Å; L191-K220 WeakPolarHBondContact O-CD 3.25Å; L191-I222 HydrophobicContact CD2-CD1 3.97Å
192	C	98.3	Very high	97.4	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	17%	0.173	C	C	.	.			trans	-142.2	118.4	175.9	-177.7	0	0	0	0	110.6	N186 Y189 S194 Y195 W219 K220 R221	N186-C192 PolarHBondContact ND2-O 3.28Å; N186-C192 PolarHBondContact OD1-N 2.88Å; N186-C192 PolarHBondContact OD1-O 2.86Å; Y189-C192 CarbonylContact O-C 3.51Å; C192-S194 PolarHBondContact O-N 2.88Å; C192-S194 PolarHBondContact SG-OG 2.92Å; C192-S194 VanDerWaalsContact SG-OG 3.4Å; C192-Y195 HydrophobicContact CB-CD2 4.43Å; C192-Y195 HydrophobicContact CB-CG 4.26Å; C192-Y195 PolarHBondContact O-N 3.12Å; C192-W219 PolarHBondContact SG-O 2.84Å; C192-K220 HydrophobicContact CB-CB 4.08Å; C192-K220 WeakPolarHBondContact CB-O 3.42Å; C192-R221 WeakPolarHBondContact SG-CG 3.28Å
193	S	97.8	Very high	97.4	Very high	50 Å²	50	33.6 Å²	33.6	35%	0.35	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.1	-177.2	53.5	0	0	0	0	114.9
194	S	97.9	Very high	97.5	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.063	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	11.5	-174.9	62.6	0	0	0	0	113.7	C192 R221 Y450 G451	C192-S194 PolarHBondContact O-N 2.88Å; C192-S194 PolarHBondContact SG-OG 2.92Å; C192-S194 VanDerWaalsContact SG-OG 3.4Å; S194-R221 PolarHBondContact O-NH1 3.36Å; S194-R221 WeakPolarHBondContact OG-CD 3.24Å; S194-R221 PolarHBondContact OG-NH1 3.46Å; S194-Y450 CarbonylContact O-C 3.48Å; S194-Y450 VanDerWaalsContact O-C 3.26Å; S194-G451 WeakPolarHBondContact O-CA 3.44Å; S194-G451 PolarHBondContact O-N 2.78Å
195	Y	98.2	Very high	97.5	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.008	16%	0.164	C	C	.	.	S	Bend	trans	-111.9	161.7	175.5	-95.8	18.8	0	0	0	110.8	N186 Y189 C192 L199 R221 I222 V224 R238 Y450	N186-Y195 PolarHBondContact ND2-O 3.08Å; Y189-Y195 WeakPolarHBondContact CD1-O 3.38Å; C192-Y195 HydrophobicContact CB-CD2 4.43Å; C192-Y195 HydrophobicContact CB-CG 4.26Å; C192-Y195 PolarHBondContact O-N 3.12Å; Y195-L199 HydrophobicContact CD2-CD1 4.24Å; Y195-L199 HydrophobicContact CD2-CD2 3.62Å; Y195-L199 HydrophobicContact CE2-CD2 4.41Å; Y195-L199 HydrophobicContact CG-CD2 4.28Å; Y195-R221 HydrophobicContact CD1-CB 4.39Å; Y195-R221 HydrophobicContact CD1-CG 4Å; Y195-R221 HydrophobicContact CE1-CB 3.68Å; Y195-R221 HydrophobicContact CE1-CG 3.74Å; Y195-R221 PolarHBondContact OH-O 3.01Å; Y195-I222 HydrophobicContact CE2-CG1 4.12Å; Y195-I222 WeakPolarHBondContact CE2-O 3.47Å; Y195-I222 PolarHBondContact OH-O 3.1Å; Y195-V224 HydrophobicContact CE2-CG1 4.16Å; Y195-V224 HydrophobicContact CE2-CG2 3.7Å; Y195-R238 PolarHBondContact OH-O 3.17Å; Y195-Y450 AromaticContact CD1-CD1 3.64Å; Y195-Y450 HydrophobicContact CD1-CD1 3.64Å; Y195-Y450 HydrophobicContact CD1-CE1 4Å; Y195-Y450 HydrophobicContact CD2-CE1 4.24Å; Y195-Y450 AromaticContact CE1-CD1 3.62Å; Y195-Y450 HydrophobicContact CE1-CD1 3.62Å; Y195-Y450 AromaticContact CE1-CE1 3.94Å; Y195-Y450 HydrophobicContact CE1-CE1 3.94Å; Y195-Y450 HydrophobicContact CE2-CE1 4.19Å; Y195-Y450 HydrophobicContact CG-CD1 4.19Å; Y195-Y450 HydrophobicContact CG-CE1 4.14Å
196	P	96.9	Very high	97.5	Very high	14 Å²	14	34.6 Å²	34.6	9%	0.091	18%	0.177	C	C	.	.			trans	-59.2	162.8	170.5	20.8	-29.8	0	0	0	113.3	N186 K198 L199 D449 Y450	N186-P196 PolarHBondContact ND2-O 2.98Å; P196-K198 PolarHBondContact O-N 2.85Å; P196-L199 HydrophobicContact CG-CD2 4.1Å; P196-D449 HydrophobicContact CB-CB 4.14Å; P196-D449 HydrophobicContact CG-CB 4.47Å; P196-Y450 HydrophobicContact CG-CD1 4.42Å; P196-Y450 HydrophobicContact CG-CD2 4.47Å; P196-Y450 HydrophobicContact CG-CE1 3.94Å; P196-Y450 HydrophobicContact CG-CE2 4.01Å
197	Q	96.4	Very high	97.6	Very high	68 Å²	68	37.4 Å²	37.4	32%	0.318	19%	0.192	S	C	.	.	S	Bend	trans	-62.9	-26.7	176.6	-71.4	-175	-2	0	0	113.7	N186 C187 Y189 E523	N186-Q197 CarbonylContact C-O 3.27Å; N186-Q197 WeakPolarHBondContact O-CA 3.38Å; C187-Q197 WeakPolarHBondContact CA-O 3.34Å; C187-Q197 PolarHBondContact N-O 3.07Å; C187-Q197 VanDerWaalsContact N-O 3.09Å; Y189-Q197 HydrophobicContact CD1-CG 4.43Å; Y189-Q197 HydrophobicContact CE1-CG 3.72Å; Y189-Q197 HydrophobicContact CE2-CG 3.99Å; Y189-Q197 VanDerWaalsContact CZ-CG 3.48Å; Y189-Q197 PolarHBondContact OH-NE2 3.19Å; Q197-E523 PolarHBondContact NE2-OE2 3.39Å
198	K	96.3	Very high	97.6	Very high	54 Å²	54	42.7 Å²	42.7	24%	0.235	21%	0.209	C	C	.	.	S	Bend	trans	-120.1	131.8	-173.7	-62.2	-64.2	-160.9	169.4	0	109.3	M165 V182 D184 P196	M165-K198 HydrophobicContact CE-CB 4.22Å; M165-K198 HydrophobicContact CG-CB 3.9Å; M165-K198 HydrophobicContact CG-CG 4.48Å; M165-K198 HydrophobicContact SD-CB 4.46Å; V182-K198 HydrophobicContact CG1-CB 3.73Å; V182-K198 HydrophobicContact CG1-CD 3.96Å; V182-K198 HydrophobicContact CG1-CG 4.24Å; D184-K198 VanDerWaalsContact OD1-CD 3.26Å; D184-K198 WeakPolarHBondContact OD1-CD 3.43Å; D184-K198 IonicContact OD1-NZ 3.29Å; D184-K198 PolarHBondContact OD1-NZ 3.18Å; D184-K198 IonicContact OD2-NZ 2.91Å; D184-K198 PolarHBondContact OD2-NZ 3.35Å; P196-K198 PolarHBondContact O-N 2.85Å
199	L	97.8	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.7	-175.2	-58.7	-178.8	0	0	0	111.6	S183 I185 N186 L191 Y195 P196 I222 V224	S183-L199 PolarHBondContact N-O 2.96Å; S183-L199 PolarHBondContact O-N 2.91Å; I185-L199 HydrophobicContact CG2-CD1 4.23Å; N186-L199 HydrophobicContact CB-CD1 3.89Å; N186-L199 HydrophobicContact CB-CG 4.18Å; L191-L199 HydrophobicContact CD2-CD1 4.11Å; Y195-L199 HydrophobicContact CD2-CD1 4.24Å; Y195-L199 HydrophobicContact CD2-CD2 3.62Å; Y195-L199 HydrophobicContact CE2-CD2 4.41Å; Y195-L199 HydrophobicContact CG-CD2 4.28Å; P196-L199 HydrophobicContact CG-CD2 4.1Å; L199-I222 HydrophobicContact CD1-CD1 4.17Å; L199-V224 HydrophobicContact CB-CG1 4.02Å; L199-V224 HydrophobicContact CD1-CG1 4.43Å; L199-V224 HydrophobicContact CD2-CG1 4.29Å; L199-V224 HydrophobicContact CG-CG1 4.47Å
200	L	98.2	Very high	97.8	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.5	-178.7	-169.9	68.6	0	0	0	111.3	M165 V169 F174 W180 V182 V225	M165-L200 HydrophobicContact CE-CB 3.97Å; V169-L200 HydrophobicContact CG2-CD1 4.26Å; V169-L200 HydrophobicContact CG2-CD2 4.23Å; F174-L200 HydrophobicContact CD1-CD2 3.82Å; F174-L200 HydrophobicContact CD2-CD2 4.1Å; F174-L200 HydrophobicContact CE1-CD2 3.47Å; F174-L200 VanDerWaalsContact CE1-CD2 3.47Å; F174-L200 HydrophobicContact CE2-CD2 3.76Å; F174-L200 HydrophobicContact CG-CD2 4.11Å; F174-L200 HydrophobicContact CZ-CD2 3.42Å; F174-L200 VanDerWaalsContact CZ-CD2 3.42Å; W180-L200 HydrophobicContact CB-CD1 4.19Å; V182-L200 HydrophobicContact CG2-CD1 4.01Å; L200-V225 HydrophobicContact CD2-CB 4.3Å; L200-V225 HydrophobicContact CD2-CG1 4.33Å; L200-V225 PolarHBondContact O-N 2.86Å
201	V	98.4	Very high	97.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	163.3	-174.5	-62.8	0	0	0	0	111	W180 R181 L210 V224	W180-V201 WeakPolarHBondContact CA-O 3.23Å; R181-V201 HydrophobicContact CG-CG2 3.78Å; R181-V201 PolarHBondContact N-O 2.79Å; R181-V201 PolarHBondContact O-N 3.35Å; V201-L210 HydrophobicContact CG1-CD1 4.28Å; V201-L210 HydrophobicContact CG1-CD2 4.16Å; V201-L210 HydrophobicContact CG2-CD1 4.33Å; V201-V224 HydrophobicContact CG1-CG1 4.22Å
202	P	98.3	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	142.1	173.1	-23.5	34.6	0	0	0	112.3	V179 W180 W204 I205 I261 A264	V179-P202 WeakPolarHBondContact O-CA 3.27Å; W180-P202 HydrophobicContact CE3-CG 4.42Å; W180-P202 HydrophobicContact CZ3-CG 4.02Å; P202-W204 VanDerWaalsContact C-N 3.28Å; P202-W204 HydrophobicContact CB-CD2 4.26Å; P202-W204 HydrophobicContact CB-CH2 4.28Å; P202-W204 HydrophobicContact CB-CZ2 3.84Å; P202-W204 PolarHBondContact O-N 3.46Å; P202-I205 HydrophobicContact CB-CG1 4.11Å; P202-I205 HydrophobicContact CG-CG1 4.29Å; P202-I205 PolarHBondContact O-N 2.97Å; P202-I205 VanDerWaalsContact O-N 3.12Å; P202-I261 HydrophobicContact CG-CG1 4.06Å; P202-A264 HydrophobicContact CB-CB 4.06Å; P202-A264 HydrophobicContact CG-CB 3.99Å
203	I	97.8	Very high	98	Very high	62 Å²	62	38.7 Å²	38.7	32%	0.318	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.9	-170.2	-168.1	163.4	0	0	0	113.9	Q177 N178 V179 R181	Q177-I203 WeakPolarHBondContact O-CD1 3.38Å; N178-I203 WeakPolarHBondContact O-CG2 3.36Å; V179-I203 WeakPolarHBondContact O-CG2 3.5Å; V179-I203 PolarHBondContact O-N 3.34Å; R181-I203 HydrophobicContact CB-CB 4.45Å; R181-I203 HydrophobicContact CB-CG1 4.26Å
204	W	97.9	Very high	98	Very high	61 Å²	61	36.5 Å²	36.5	23%	0.231	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.3	-179.4	58.7	78.6	0	0	0	114.4	V179 P202 T206 S260 K263 A264 M267	V179-W204 HydrophobicContact CG1-CZ3 4.43Å; P202-W204 VanDerWaalsContact C-N 3.28Å; P202-W204 HydrophobicContact CB-CD2 4.26Å; P202-W204 HydrophobicContact CB-CH2 4.28Å; P202-W204 HydrophobicContact CB-CZ2 3.84Å; P202-W204 PolarHBondContact O-N 3.46Å; W204-T206 PolarHBondContact O-N 3.45Å; W204-S260 PolarHBondContact NE1-OG 3.33Å; W204-K263 HydrophobicContact CH2-CD 4.2Å; W204-K263 HydrophobicContact CH2-CG 4.22Å; W204-K263 HydrophobicContact CZ2-CB 4.16Å; W204-K263 HydrophobicContact CZ2-CD 3.78Å; W204-K263 HydrophobicContact CZ2-CG 4.07Å; W204-A264 HydrophobicContact CH2-CB 3.81Å; W204-A264 HydrophobicContact CZ2-CB 4.19Å; W204-M267 HydrophobicContact CH2-CE 4.28Å; W204-M267 HydrophobicContact CH2-SD 3.56Å; W204-M267 VanDerWaalsContact CH2-SD 3.56Å; W204-M267 HydrophobicContact CZ3-CE 3.79Å; W204-M267 HydrophobicContact CZ3-SD 3.69Å
205	I	98.4	Very high	98	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.205	C	C	.	.	S	Bend	trans	-76.3	123.4	172	-64.2	-68	0	0	0	108	R181 P202 E209 L210 Y256 L257	R181-I205 PolarHBondContact NE-O 2.75Å; R181-I205 PolarHBondContact NH2-O 3.16Å; P202-I205 HydrophobicContact CB-CG1 4.11Å; P202-I205 HydrophobicContact CG-CG1 4.29Å; P202-I205 PolarHBondContact O-N 2.97Å; P202-I205 VanDerWaalsContact O-N 3.12Å; I205-E209 HydrophobicContact CG2-CB 4.18Å; I205-L210 HydrophobicContact CG2-CD2 3.53Å; I205-L210 HydrophobicContact CG2-CG 4.07Å; I205-Y256 HydrophobicContact CD1-CD1 3.68Å; I205-Y256 HydrophobicContact CD1-CE1 3.55Å; I205-Y256 HydrophobicContact CD1-CG 4.5Å; I205-L257 HydrophobicContact CD1-CD1 4.38Å; I205-L257 HydrophobicContact CG1-CD1 3.98Å; I205-L257 HydrophobicContact CG2-CD1 4.28Å
206	T	98.3	Very high	98	Very high	70 Å²	70	40.7 Å²	40.7	43%	0.429	21%	0.207	S	C	.	.			trans	-81.5	156.4	178.3	69.6	0	0	0	0	112	W204 K208 E209 L210	W204-T206 PolarHBondContact O-N 3.45Å; T206-K208 PolarHBondContact O-N 3.41Å; T206-E209 WeakPolarHBondContact CA-OE2 3.39Å; T206-E209 VanDerWaalsContact CB-OE2 3.25Å; T206-E209 WeakPolarHBondContact CB-OE2 3.37Å; T206-E209 WeakPolarHBondContact CG2-OE2 3.48Å; T206-E209 PolarHBondContact N-OE2 2.85Å; T206-E209 PolarHBondContact O-N 3.43Å; T206-E209 VanDerWaalsContact O-N 3.16Å; T206-E209 PolarHBondContact OG1-N 3.24Å; T206-E209 PolarHBondContact OG1-OE2 2.93Å; T206-L210 PolarHBondContact O-N 2.68Å
207	D	98.2	Very high	98	Very high	59 Å²	59	40.2 Å²	40.2	32%	0.316	20%	0.203	S	C	.	.	H	α-helix	trans	-63.9	-26.9	176.6	-72.6	-29.8	0	0	0	112.7	R181 S183 I185 L210 E211	R181-D207 IonicContact CZ-OD1 3.78Å; R181-D207 VanDerWaalsContact CZ-OD1 3.26Å; R181-D207 IonicContact NH1-OD1 3.07Å; R181-D207 PolarHBondContact NH1-OD1 3.29Å; R181-D207 IonicContact NH1-OD2 2.76Å; R181-D207 PolarHBondContact NH1-OD2 3.3Å; R181-D207 IonicContact NH2-OD1 3.46Å; R181-D207 PolarHBondContact NH2-OD1 3.04Å; S183-D207 PolarHBondContact OG-OD1 2.91Å; I185-D207 HydrophobicContact CB-CB 4.34Å; I185-D207 HydrophobicContact CD1-CB 3.63Å; I185-D207 WeakPolarHBondContact CD1-O 3.35Å; I185-D207 HydrophobicContact CG1-CB 4.14Å; D207-L210 WeakPolarHBondContact O-CB 3.38Å; D207-L210 PolarHBondContact O-N 3.44Å; D207-E211 PolarHBondContact O-N 2.91Å
208	K	98.1	Very high	98.1	Very high	166 Å²	166	37.4 Å²	37.4	72%	0.722	19%	0.192	S	C	*	.	H	α-helix	trans	-65.5	-39.2	173.2	-174	-169.5	172.9	-164.1	0	112.5	T206 L210 E211 S212	T206-K208 PolarHBondContact O-N 3.41Å; K208-L210 VanDerWaalsContact C-N 3.31Å; K208-E211 PolarHBondContact O-N 2.86Å; K208-S212 PolarHBondContact O-N 2.72Å; K208-S212 VanDerWaalsContact O-N 3.16Å
209	E	98.6	Very high	98.1	Very high	40 Å²	40	41.9 Å²	41.9	19%	0.187	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-38.9	173.2	-71.6	154.4	127.5	0	0	110	I205 T206 E211 S212 V213 D253 Y256	I205-E209 HydrophobicContact CG2-CB 4.18Å; T206-E209 WeakPolarHBondContact CA-OE2 3.39Å; T206-E209 VanDerWaalsContact CB-OE2 3.25Å; T206-E209 WeakPolarHBondContact CB-OE2 3.37Å; T206-E209 WeakPolarHBondContact CG2-OE2 3.48Å; T206-E209 PolarHBondContact N-OE2 2.85Å; T206-E209 PolarHBondContact O-N 3.43Å; T206-E209 VanDerWaalsContact O-N 3.16Å; T206-E209 PolarHBondContact OG1-N 3.24Å; T206-E209 PolarHBondContact OG1-OE2 2.93Å; E209-E211 VanDerWaalsContact C-N 3.33Å; E209-E211 PolarHBondContact O-N 3.44Å; E209-S212 WeakPolarHBondContact O-CB 3.34Å; E209-S212 PolarHBondContact O-N 3.34Å; E209-S212 VanDerWaalsContact O-N 3.12Å; E209-V213 WeakPolarHBondContact O-CG2 3.3Å; E209-V213 PolarHBondContact O-N 2.79Å; E209-D253 HydrophobicContact CB-CB 4.31Å; E209-D253 HydrophobicContact CG-CB 4.42Å; E209-Y256 WeakPolarHBondContact OE1-CD1 3.45Å; E209-Y256 VanDerWaalsContact OE1-CE1 3.25Å; E209-Y256 WeakPolarHBondContact OE1-CE1 3.21Å
210	L	98.7	Very high	98.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-36.1	174.1	-56.4	-174.7	0	0	0	113	I185 L191 V201 I205 T206 D207 K208 A214 I222 L257	I185-L210 HydrophobicContact CD1-CB 3.9Å; I185-L210 HydrophobicContact CD1-CD1 4.49Å; I185-L210 HydrophobicContact CG2-CD1 4.09Å; L191-L210 HydrophobicContact CD2-CB 4.4Å; V201-L210 HydrophobicContact CG1-CD1 4.28Å; V201-L210 HydrophobicContact CG1-CD2 4.16Å; V201-L210 HydrophobicContact CG2-CD1 4.33Å; I205-L210 HydrophobicContact CG2-CD2 3.53Å; I205-L210 HydrophobicContact CG2-CG 4.07Å; T206-L210 PolarHBondContact O-N 2.68Å; D207-L210 WeakPolarHBondContact O-CB 3.38Å; D207-L210 PolarHBondContact O-N 3.44Å; K208-L210 VanDerWaalsContact C-N 3.31Å; L210-A214 WeakPolarHBondContact O-CB 3.48Å; L210-A214 PolarHBondContact O-N 3.48Å; L210-I222 HydrophobicContact CB-CD1 4.19Å; L210-I222 HydrophobicContact CD1-CD1 4.37Å; L210-I222 HydrophobicContact CD2-CD1 3.91Å; L210-I222 HydrophobicContact CG-CD1 4.37Å; L210-L257 HydrophobicContact CD2-CD2 4.17Å
211	E	98.5	Very high	98.2	Very high	121 Å²	121	46.7 Å²	46.7	57%	0.565	23%	0.228	S	C	*	.	H	α-helix	trans	-63.5	-40.2	172.1	-67.8	-177.3	143	0	0	112.4	I185 L191 D207 K208 E209 A214 S215	I185-E211 HydrophobicContact CD1-CG 3.95Å; L191-E211 HydrophobicContact CD1-CG 4.08Å; D207-E211 PolarHBondContact O-N 2.91Å; K208-E211 PolarHBondContact O-N 2.86Å; E209-E211 VanDerWaalsContact C-N 3.33Å; E209-E211 PolarHBondContact O-N 3.44Å; E211-A214 PolarHBondContact O-N 3.05Å; E211-S215 PolarHBondContact O-N 2.93Å
212	S	98.4	Very high	98.2	Very high	30 Å²	30	46.7 Å²	46.7	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-50.1	175	-176.5	0	0	0	0	111.3	K208 E209 A214 S215 N251 D253	K208-S212 PolarHBondContact O-N 2.72Å; K208-S212 VanDerWaalsContact O-N 3.16Å; E209-S212 WeakPolarHBondContact O-CB 3.34Å; E209-S212 PolarHBondContact O-N 3.34Å; E209-S212 VanDerWaalsContact O-N 3.12Å; S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.41Å; S212-S215 WeakPolarHBondContact O-CB 3.45Å; S212-S215 PolarHBondContact O-N 2.85Å; S212-S215 PolarHBondContact O-OG 2.93Å; S212-N251 PolarHBondContact O-ND2 2.91Å; S212-N251 PolarHBondContact OG-ND2 3.17Å; S212-D253 WeakPolarHBondContact CB-OD2 3.46Å; S212-D253 PolarHBondContact OG-OD2 3.25Å
213	V	98.6	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-37.3	176.8	-177.2	0	0	0	0	111.8	E209 S215 F216 R217 I222 D253 D254 L257	E209-V213 WeakPolarHBondContact O-CG2 3.3Å; E209-V213 PolarHBondContact O-N 2.79Å; V213-S215 PolarHBondContact O-N 2.94Å; V213-F216 PolarHBondContact O-N 2.94Å; V213-R217 HydrophobicContact CG1-CG 3.82Å; V213-R217 PolarHBondContact O-N 3.22Å; V213-I222 HydrophobicContact CB-CG2 4.06Å; V213-I222 HydrophobicContact CG1-CB 4.13Å; V213-I222 HydrophobicContact CG1-CG2 3.77Å; V213-D253 HydrophobicContact CG2-CB 4.02Å; V213-D253 WeakPolarHBondContact CG2-O 3.46Å; V213-D254 HydrophobicContact CG1-CB 3.99Å; V213-D254 WeakPolarHBondContact CG1-OD1 3.43Å; V213-D254 HydrophobicContact CG2-CB 4.04Å; V213-L257 HydrophobicContact CB-CD2 4.41Å; V213-L257 HydrophobicContact CG1-CD2 4.07Å; V213-L257 HydrophobicContact CG2-CB 4.37Å; V213-L257 HydrophobicContact CG2-CD2 4.16Å
214	A	98.5	Very high	98.3	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-21.6	174.2	0	0	0	0	0	113.4	L191 L210 E211 S212 K220 I222	L191-A214 HydrophobicContact CD1-CB 3.47Å; L191-A214 VanDerWaalsContact CD1-CB 3.47Å; L191-A214 HydrophobicContact CD2-CB 4.44Å; L191-A214 HydrophobicContact CG-CB 3.89Å; L210-A214 WeakPolarHBondContact O-CB 3.48Å; L210-A214 PolarHBondContact O-N 3.48Å; E211-A214 PolarHBondContact O-N 3.05Å; S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.41Å; A214-K220 HydrophobicContact CB-CB 4.08Å; A214-K220 WeakPolarHBondContact O-CA 3.47Å; A214-K220 VanDerWaalsContact O-CG 3.3Å; A214-K220 WeakPolarHBondContact O-CG 3.28Å; A214-I222 VanDerWaalsContact CA-CG2 3.48Å; A214-I222 HydrophobicContact CB-CG2 3.79Å
215	S	97.1	Very high	98.3	Very high	86 Å²	86	41 Å²	41	60%	0.601	20%	0.202	S	C	*	.	H	α-helix	trans	-80.2	-15.4	171.6	78.7	0	0	0	0	114	E211 S212 V213	E211-S215 PolarHBondContact O-N 2.93Å; S212-S215 WeakPolarHBondContact O-CB 3.45Å; S212-S215 PolarHBondContact O-N 2.85Å; S212-S215 PolarHBondContact O-OG 2.93Å; V213-S215 PolarHBondContact O-N 2.94Å
216	F	97.8	Very high	98.3	Very high	14 Å²	14	41.5 Å²	41.5	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-110.3	-20.5	-177.1	-179.6	-114.9	0	0	0	113.8	V213 P242 E243 I244 W249 N251 D254	V213-F216 PolarHBondContact O-N 2.94Å; F216-P242 HydrophobicContact CD1-CB 4.08Å; F216-P242 HydrophobicContact CE1-CB 3.44Å; F216-P242 VanDerWaalsContact CE1-CB 3.44Å; F216-P242 HydrophobicContact CE2-CB 4.49Å; F216-P242 HydrophobicContact CZ-CB 3.7Å; F216-P242 CarbonylContact O-C 3.58Å; F216-E243 WeakPolarHBondContact O-CB 3.18Å; F216-E243 PolarHBondContact O-N 3.01Å; F216-I244 HydrophobicContact CE2-CG1 4.23Å; F216-I244 HydrophobicContact CZ-CG1 3.78Å; F216-W249 HydrophobicContact CE2-CB 4.39Å; F216-N251 HydrophobicContact CB-CB 3.68Å; F216-N251 HydrophobicContact CD1-CB 3.52Å; F216-N251 HydrophobicContact CD2-CB 3.97Å; F216-N251 HydrophobicContact CE1-CB 4.04Å; F216-N251 HydrophobicContact CE2-CB 4.46Å; F216-N251 HydrophobicContact CG-CB 3.45Å; F216-N251 VanDerWaalsContact CG-CB 3.45Å; F216-N251 HydrophobicContact CZ-CB 4.47Å; F216-D254 HydrophobicContact CD1-CB 3.8Å; F216-D254 HydrophobicContact CE1-CB 4.17Å
217	R	98.2	Very high	98.3	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.011	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-93.3	128.7	176.2	-72.5	-80.8	175.8	-178	-8.6	110.4	V213 K220 I222 C239 S240 D254 E332	V213-R217 HydrophobicContact CG1-CG 3.82Å; V213-R217 PolarHBondContact O-N 3.22Å; R217-K220 WeakPolarHBondContact O-CA 3.45Å; R217-K220 PolarHBondContact O-N 3.33Å; R217-I222 HydrophobicContact CB-CG2 4.46Å; R217-C239 PolarHBondContact NH1-SG 3.4Å; R217-S240 WeakPolarHBondContact CD-O 3.3Å; R217-S240 PolarHBondContact NH1-O 3.08Å; R217-D254 IonicContact CZ-OD1 3.52Å; R217-D254 IonicContact CZ-OD2 3.21Å; R217-D254 IonicContact NE-OD1 3.8Å; R217-D254 PolarHBondContact NE-OD1 3.21Å; R217-D254 IonicContact NE-OD2 3.88Å; R217-D254 IonicContact NH2-OD1 2.68Å; R217-D254 PolarHBondContact NH2-OD1 2.93Å; R217-D254 IonicContact NH2-OD2 2.9Å; R217-D254 PolarHBondContact NH2-OD2 3.28Å; R217-E332 IonicContact CZ-OE1 2.75Å; R217-E332 IonicContact NH1-OE1 3.48Å; R217-E332 PolarHBondContact NH1-OE1 2.92Å; R217-E332 IonicContact NH2-OE1 2.72Å; R217-E332 PolarHBondContact NH2-OE1 3.42Å
218	S	97.9	Very high	98.2	Very high	10 Å²	10	36.3 Å²	36.3	7%	0.07	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-57.7	139.6	-175	-153.3	0	0	0	0	113	K220 R221 S240 Q241 E243	S218-K220 PolarHBondContact O-N 3.28Å; S218-R221 PolarHBondContact O-N 2.96Å; S218-S240 PolarHBondContact N-OG 3.17Å; S218-S240 VanDerWaalsContact N-OG 3.13Å; S218-S240 VanDerWaalsContact O-CB 3.27Å; S218-S240 WeakPolarHBondContact O-CB 3.47Å; S218-S240 PolarHBondContact O-OG 2.76Å; S218-Q241 PolarHBondContact N-O 3.14Å; S218-E243 WeakPolarHBondContact CA-OE1 3.49Å; S218-E243 WeakPolarHBondContact CB-OE1 3.25Å; S218-E243 PolarHBondContact OG-OE1 3.16Å
219	W	97.4	Very high	98.1	Very high	147 Å²	147	28.8 Å²	28.8	56%	0.557	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	53.3	18.1	-168.8	-58.6	100.9	0	0	0	115.3	C192 R221 D413 W415	C192-W219 PolarHBondContact SG-O 2.84Å; W219-R221 HydrophobicContact CB-CG 4.11Å; W219-R221 PolarHBondContact O-N 2.89Å; W219-D413 PolarHBondContact NE1-OD1 3.31Å; W219-W415 HydrophobicContact CB-CZ3 4.18Å; W219-W415 AromaticContact CD1-CH2 3.63Å; W219-W415 AromaticContact CD1-CZ3 3.83Å; W219-W415 AromaticContact CD2-CH2 3.76Å; W219-W415 HydrophobicContact CD2-CH2 3.76Å; W219-W415 HydrophobicContact CD2-CZ3 4.03Å; W219-W415 AromaticContact CE2-CH2 3.56Å; W219-W415 AromaticContact CG-CH2 3.82Å; W219-W415 HydrophobicContact CG-CH2 3.82Å; W219-W415 AromaticContact CG-CZ3 3.75Å; W219-W415 HydrophobicContact CG-CZ3 3.75Å; W219-W415 HydrophobicContact CZ2-CH2 4.16Å; W219-W415 AromaticContact NE1-CH2 3.43Å
220	K	98.3	Very high	97.7	Very high	106 Å²	106	31.7 Å²	31.7	46%	0.461	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	64.5	19.7	-176.6	-46.3	-163.4	169.5	-173	0	114.6	L191 C192 A214 R217 S218 I222	L191-K220 WeakPolarHBondContact O-CB 3.24Å; L191-K220 WeakPolarHBondContact O-CD 3.25Å; C192-K220 HydrophobicContact CB-CB 4.08Å; C192-K220 WeakPolarHBondContact CB-O 3.42Å; A214-K220 HydrophobicContact CB-CB 4.08Å; A214-K220 WeakPolarHBondContact O-CA 3.47Å; A214-K220 VanDerWaalsContact O-CG 3.3Å; A214-K220 WeakPolarHBondContact O-CG 3.28Å; R217-K220 WeakPolarHBondContact O-CA 3.45Å; R217-K220 PolarHBondContact O-N 3.33Å; S218-K220 PolarHBondContact O-N 3.28Å; K220-I222 VanDerWaalsContact C-N 3.33Å; K220-I222 PolarHBondContact O-N 3.18Å
221	R	98.6	Very high	97.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.			trans	-86.1	72.9	-172.6	-68.3	169.6	67.3	80.9	2	111	C192 S194 Y195 S218 W219 C239 S240 D413 G414 Y450	C192-R221 WeakPolarHBondContact SG-CG 3.28Å; S194-R221 PolarHBondContact O-NH1 3.36Å; S194-R221 WeakPolarHBondContact OG-CD 3.24Å; S194-R221 PolarHBondContact OG-NH1 3.46Å; Y195-R221 HydrophobicContact CD1-CB 4.39Å; Y195-R221 HydrophobicContact CD1-CG 4Å; Y195-R221 HydrophobicContact CE1-CB 3.68Å; Y195-R221 HydrophobicContact CE1-CG 3.74Å; Y195-R221 PolarHBondContact OH-O 3.01Å; S218-R221 PolarHBondContact O-N 2.96Å; W219-R221 HydrophobicContact CB-CG 4.11Å; W219-R221 PolarHBondContact O-N 2.89Å; R221-C239 WeakPolarHBondContact O-CA 3.31Å; R221-C239 VanDerWaalsContact O-CB 3.28Å; R221-C239 WeakPolarHBondContact O-CB 3.35Å; R221-S240 PolarHBondContact O-N 3.06Å; R221-S240 PolarHBondContact O-OG 3.25Å; R221-D413 WeakPolarHBondContact CD-O 3.39Å; R221-D413 PolarHBondContact NE-O 2.85Å; R221-G414 PolarHBondContact NH2-O 3.04Å; R221-Y450 PolarHBondContact NH1-O 2.67Å; R221-Y450 PolarHBondContact NH2-O 2.92Å
222	I	98.8	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.			trans	-60.4	156.6	-175	60.2	159.1	0	0	0	114.2	L191 Y195 L199 L210 V213 A214 R217 K220 V224	L191-I222 HydrophobicContact CD2-CD1 3.97Å; Y195-I222 HydrophobicContact CE2-CG1 4.12Å; Y195-I222 WeakPolarHBondContact CE2-O 3.47Å; Y195-I222 PolarHBondContact OH-O 3.1Å; L199-I222 HydrophobicContact CD1-CD1 4.17Å; L210-I222 HydrophobicContact CB-CD1 4.19Å; L210-I222 HydrophobicContact CD1-CD1 4.37Å; L210-I222 HydrophobicContact CD2-CD1 3.91Å; L210-I222 HydrophobicContact CG-CD1 4.37Å; V213-I222 HydrophobicContact CB-CG2 4.06Å; V213-I222 HydrophobicContact CG1-CB 4.13Å; V213-I222 HydrophobicContact CG1-CG2 3.77Å; A214-I222 VanDerWaalsContact CA-CG2 3.48Å; A214-I222 HydrophobicContact CB-CG2 3.79Å; R217-I222 HydrophobicContact CB-CG2 4.46Å; K220-I222 VanDerWaalsContact C-N 3.33Å; K220-I222 PolarHBondContact O-N 3.18Å; I222-V224 HydrophobicContact CD1-CG1 4.09Å; I222-V224 HydrophobicContact CG1-CG1 4.01Å; I222-V224 PolarHBondContact O-N 3.43Å
223	P	98.7	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.			trans	-55.1	116.5	167.8	-26.5	34.9	0	0	0	112.9	C239 L257 V258 I261 L408	P223-C239 HydrophobicContact CB-CB 4.44Å; P223-C239 HydrophobicContact CG-CB 4.03Å; P223-L257 HydrophobicContact CB-CD2 4.01Å; P223-L257 HydrophobicContact CB-CG 4.31Å; P223-L257 HydrophobicContact CG-CD2 4.19Å; P223-V258 HydrophobicContact CG-CG2 4.08Å; P223-I261 HydrophobicContact CB-CD1 3.74Å; P223-L408 HydrophobicContact CB-CD1 4.02Å; P223-L408 HydrophobicContact CG-CD2 4.43Å
224	V	98.6	Very high	96.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.6	175.3	-66.8	0	0	0	0	110.7	Y195 L199 V201 I222 A237 R238 Y450	Y195-V224 HydrophobicContact CE2-CG1 4.16Å; Y195-V224 HydrophobicContact CE2-CG2 3.7Å; L199-V224 HydrophobicContact CB-CG1 4.02Å; L199-V224 HydrophobicContact CD1-CG1 4.43Å; L199-V224 HydrophobicContact CD2-CG1 4.29Å; L199-V224 HydrophobicContact CG-CG1 4.47Å; V201-V224 HydrophobicContact CG1-CG1 4.22Å; I222-V224 HydrophobicContact CD1-CG1 4.09Å; I222-V224 HydrophobicContact CG1-CG1 4.01Å; I222-V224 PolarHBondContact O-N 3.43Å; V224-A237 CarbonylContact O-C 3.6Å; V224-A237 WeakPolarHBondContact O-CA 3.37Å; V224-A237 WeakPolarHBondContact O-CB 3.4Å; V224-R238 HydrophobicContact CG2-CG 4.35Å; V224-R238 PolarHBondContact N-O 3.36Å; V224-R238 VanDerWaalsContact N-O 3.15Å; V224-R238 PolarHBondContact O-N 3.39Å; V224-Y450 HydrophobicContact CG2-CE1 3.68Å; V224-Y450 WeakPolarHBondContact CG2-OH 3.25Å
225	V	98.4	Very high	96.5	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	137.5	-178.1	178.6	0	0	0	0	110.9	F174 W180 L200 V235 A237 I261	F174-V225 HydrophobicContact CE1-CG1 3.68Å; F174-V225 HydrophobicContact CZ-CG1 3.78Å; W180-V225 HydrophobicContact CE3-CG2 4.48Å; W180-V225 HydrophobicContact CH2-CG2 3.89Å; W180-V225 HydrophobicContact CZ3-CB 4.31Å; W180-V225 HydrophobicContact CZ3-CG2 3.58Å; L200-V225 HydrophobicContact CD2-CB 4.3Å; L200-V225 HydrophobicContact CD2-CG1 4.33Å; L200-V225 PolarHBondContact O-N 2.86Å; V225-V235 HydrophobicContact CG1-CB 3.88Å; V225-V235 HydrophobicContact CG1-CG1 4.08Å; V225-V235 HydrophobicContact CG2-CG2 4.45Å; V225-A237 HydrophobicContact CG2-CB 4.15Å; V225-I261 HydrophobicContact CG2-CG1 4.37Å; V225-I261 HydrophobicContact CG2-CG2 3.91Å
226	V	98.1	Very high	96.6	Very high	13 Å²	13	26.3 Å²	26.3	8%	0.079	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	-1.6	-174	-65.3	0	0	0	0	114.3	I236 R238 V422 K426 Y450	V226-I236 WeakPolarHBondContact CG2-O 3.41Å; V226-I236 PolarHBondContact N-O 3.38Å; V226-R238 HydrophobicContact CG1-CG 3.91Å; V226-R238 HydrophobicContact CG2-CG 4.11Å; V226-V422 HydrophobicContact CG2-CG1 3.78Å; V226-K426 PolarHBondContact O-NZ 3.09Å; V226-Y450 HydrophobicContact CG1-CD2 4.43Å; V226-Y450 HydrophobicContact CG1-CE1 4.46Å; V226-Y450 HydrophobicContact CG1-CE2 3.52Å; V226-Y450 WeakPolarHBondContact CG1-OH 3.48Å
227	Y	98.4	Very high	96.6	Very high	6 Å²	6	25.6 Å²	25.6	2%	0.024	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	145.9	169.5	-177.6	-102.7	0	0	0	110.8	M172 H229 V235 I236 V400 K426 L429 D430 Y433	M172-Y227 HydrophobicContact SD-CD2 3.45Å; M172-Y227 WeakPolarHBondContact SD-CD2 3.49Å; M172-Y227 HydrophobicContact SD-CE2 4.03Å; M172-Y227 HydrophobicContact SD-CG 4.16Å; Y227-H229 HydrophobicContact CE1-CB 3.88Å; Y227-V235 VanDerWaalsContact O-CA 3.27Å; Y227-V235 WeakPolarHBondContact O-CA 3.5Å; Y227-V235 WeakPolarHBondContact O-CB 3.4Å; Y227-I236 HydrophobicContact CD1-CD1 3.84Å; Y227-I236 HydrophobicContact CD1-CG1 4.06Å; Y227-I236 HydrophobicContact CG-CD1 4.26Å; Y227-I236 PolarHBondContact N-O 3.24Å; Y227-I236 PolarHBondContact O-N 3.42Å; Y227-V400 HydrophobicContact CE1-CG1 4.16Å; Y227-K426 HydrophobicContact CD2-CD 4.48Å; Y227-K426 HydrophobicContact CD2-CG 4.02Å; Y227-K426 HydrophobicContact CG-CG 4.12Å; Y227-L429 HydrophobicContact CD1-CD1 4.28Å; Y227-L429 HydrophobicContact CE1-CB 4.32Å; Y227-L429 HydrophobicContact CE1-CD1 3.84Å; Y227-D430 HydrophobicContact CE2-CB 3.88Å; Y227-Y433 HydrophobicContact CD2-CE2 4.28Å; Y227-Y433 HydrophobicContact CE2-CE2 4.2Å
228	R	96.8	Very high	96.7	Very high	13 Å²	13	25.5 Å²	25.5	5%	0.049	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.5	167.9	171.6	-173.8	-177.5	-72.7	-1.1	108.9	M172 G173 F174 Q230 V235 D268 T269	M172-R228 HydrophobicContact CB-CB 4.33Å; M172-R228 PolarHBondContact O-NH1 3.41Å; M172-R228 VanDerWaalsContact O-NH1 3.08Å; G173-R228 PolarHBondContact O-NE 2.91Å; G173-R228 PolarHBondContact O-NH1 3.2Å; G173-R228 VanDerWaalsContact O-NH1 3.11Å; F174-R228 HydrophobicContact CD1-CB 4.06Å; F174-R228 HydrophobicContact CD1-CG 4.45Å; F174-R228 HydrophobicContact CD2-CB 4.25Å; F174-R228 HydrophobicContact CE1-CB 3.48Å; F174-R228 VanDerWaalsContact CE1-CB 3.48Å; F174-R228 HydrophobicContact CE1-CG 4.27Å; F174-R228 HydrophobicContact CE2-CB 3.71Å; F174-R228 HydrophobicContact CG-CB 4.42Å; F174-R228 HydrophobicContact CZ-CB 3.3Å; F174-R228 HydrophobicContact CZ-CG 4.46Å; R228-Q230 PolarHBondContact O-N 3.07Å; R228-V235 HydrophobicContact CB-CG1 4.16Å; R228-V235 HydrophobicContact CG-CG1 4.36Å; R228-D268 WeakPolarHBondContact CD-OD2 3.46Å; R228-D268 IonicContact CZ-OD1 3.85Å; R228-D268 IonicContact CZ-OD2 2.73Å; R228-D268 IonicContact NE-OD1 2.72Å; R228-D268 PolarHBondContact NE-OD1 3.37Å; R228-D268 IonicContact NE-OD2 3.1Å; R228-D268 PolarHBondContact NE-OD2 3.03Å; R228-D268 PolarHBondContact NH2-O 2.93Å; R228-D268 VanDerWaalsContact NH2-O 3.14Å; R228-D268 IonicContact NH2-OD1 3.7Å; R228-D268 PolarHBondContact NH2-OD1 3.09Å; R228-D268 IonicContact NH2-OD2 3.33Å; R228-T269 PolarHBondContact NH2-O 2.83Å
229	H	95.3	Very high	96.7	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.037	11%	0.11	C	C	.	.			trans	-81.8	115.1	176.8	-176	-135.4	0	0	0	110.7	Y227 K231 N232 G233 A234 V400 E401	Y227-H229 HydrophobicContact CE1-CB 3.88Å; H229-K231 VanDerWaalsContact C-N 3.25Å; H229-K231 PolarHBondContact O-N 3.27Å; H229-K231 VanDerWaalsContact O-N 3.13Å; H229-N232 WeakPolarHBondContact CB-OD1 3.36Å; H229-N232 VanDerWaalsContact ND1-CG 3.31Å; H229-N232 PolarHBondContact ND1-ND2 3.04Å; H229-N232 PolarHBondContact ND1-OD1 3.21Å; H229-N232 PolarHBondContact O-N 3.29Å; H229-G233 WeakPolarHBondContact O-CA 3.34Å; H229-G233 PolarHBondContact O-N 3.3Å; H229-A234 HydrophobicContact CB-CB 4.39Å; H229-A234 WeakPolarHBondContact CB-O 3.41Å; H229-A234 PolarHBondContact N-O 3.09Å; H229-V400 HydrophobicContact CB-CG1 3.7Å; H229-E401 IonicContact CE1-OE2 3.87Å; H229-E401 PolarHBondContact CE1-OE2 3.34Å; H229-E401 IonicContact ND1-OE2 3.58Å; H229-E401 IonicContact NE2-OE2 2.58Å; H229-E401 PolarHBondContact NE2-OE2 2.91Å
230	Q	91.7	Very high	96.8	Very high	101 Å²	101	18.1 Å²	18.1	47%	0.472	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.7	-170.5	-67.6	174.7	-28.2	0	0	114.6	R171 R228 G270	R171-Q230 PolarHBondContact O-NE2 3.03Å; R228-Q230 PolarHBondContact O-N 3.07Å; Q230-G270 WeakPolarHBondContact O-CA 3.48Å
231	K	89.1	Confident	96.8	Very high	80 Å²	80	13.6 Å²	13.6	35%	0.348	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-32.7	-170.9	-61.9	170.1	-173.5	152.4	0	113.6	H229 D555	H229-K231 VanDerWaalsContact C-N 3.25Å; H229-K231 PolarHBondContact O-N 3.27Å; H229-K231 VanDerWaalsContact O-N 3.13Å; K231-D555 WeakPolarHBondContact CE-OD2 3.12Å; K231-D555 IonicContact NZ-OD1 2.71Å; K231-D555 PolarHBondContact NZ-OD1 3.43Å; K231-D555 IonicContact NZ-OD2 2.74Å; K231-D555 PolarHBondContact NZ-OD2 3.23Å
232	N	91.2	Very high	96.7	Very high	47 Å²	47	13.6 Å²	13.6	25%	0.251	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-17.7	-174.7	63.2	13.3	0	0	0	114.3	H229 A234 G270 V400 E401	H229-N232 WeakPolarHBondContact CB-OD1 3.36Å; H229-N232 VanDerWaalsContact ND1-CG 3.31Å; H229-N232 PolarHBondContact ND1-ND2 3.04Å; H229-N232 PolarHBondContact ND1-OD1 3.21Å; H229-N232 PolarHBondContact O-N 3.29Å; N232-A234 WeakPolarHBondContact OD1-CB 3.47Å; N232-A234 PolarHBondContact OD1-N 3.09Å; N232-G270 VanDerWaalsContact C-N 3.31Å; N232-G270 PolarHBondContact O-N 3.27Å; N232-V400 PolarHBondContact ND2-O 3.09Å; N232-E401 PolarHBondContact ND2-O 3.03Å
233	G	92.9	Very high	96.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.			trans	92.9	-2.8	-177.2	0	0	0	0	0	114.4	H229 V235 C265 D268	H229-G233 WeakPolarHBondContact O-CA 3.34Å; H229-G233 PolarHBondContact O-N 3.3Å; G233-V235 WeakPolarHBondContact O-CG1 3.39Å; G233-V235 PolarHBondContact O-N 3.27Å; G233-C265 PolarHBondContact O-SG 3.15Å; G233-C265 VanDerWaalsContact O-SG 3.36Å; G233-D268 WeakPolarHBondContact CA-O 3.47Å
234	A	95.7	Very high	96.1	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	9%	0.085	C	C	.	.			trans	-61.2	130.4	-177.3	0	0	0	0	0	112.3	H229 N232 C265 V400	H229-A234 HydrophobicContact CB-CB 4.39Å; H229-A234 WeakPolarHBondContact CB-O 3.41Å; H229-A234 PolarHBondContact N-O 3.09Å; N232-A234 WeakPolarHBondContact OD1-CB 3.47Å; N232-A234 PolarHBondContact OD1-N 3.09Å; A234-C265 VanDerWaalsContact CA-SG 3.58Å; A234-V400 HydrophobicContact CB-CB 4.38Å; A234-V400 HydrophobicContact CB-CG1 3.89Å; A234-V400 WeakPolarHBondContact CB-O 3.49Å
235	V	97.8	Very high	95.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.7	-174.4	-60.6	0	0	0	0	114	F174 W180 V225 Y227 R228 G233 I261 C265 P406 V407	F174-V235 HydrophobicContact CE1-CG1 4.47Å; W180-V235 HydrophobicContact CH2-CG1 4.05Å; W180-V235 HydrophobicContact CH2-CG2 4.37Å; W180-V235 HydrophobicContact CZ2-CG1 3.79Å; V225-V235 HydrophobicContact CG1-CB 3.88Å; V225-V235 HydrophobicContact CG1-CG1 4.08Å; V225-V235 HydrophobicContact CG2-CG2 4.45Å; Y227-V235 VanDerWaalsContact O-CA 3.27Å; Y227-V235 WeakPolarHBondContact O-CA 3.5Å; Y227-V235 WeakPolarHBondContact O-CB 3.4Å; R228-V235 HydrophobicContact CB-CG1 4.16Å; R228-V235 HydrophobicContact CG-CG1 4.36Å; G233-V235 WeakPolarHBondContact O-CG1 3.39Å; G233-V235 PolarHBondContact O-N 3.27Å; V235-I261 HydrophobicContact CG2-CG2 4.02Å; V235-C265 HydrophobicContact CG2-CB 3.94Å; V235-P406 HydrophobicContact CG2-CB 3.93Å; V235-P406 WeakPolarHBondContact O-CA 3.26Å; V235-V407 PolarHBondContact O-N 2.93Å
236	I	98.8	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.1	164	-50.9	169.1	0	0	0	108.6	V226 Y227 V396 V400 V407 V409 V422 A425 L429	V226-I236 WeakPolarHBondContact CG2-O 3.41Å; V226-I236 PolarHBondContact N-O 3.38Å; Y227-I236 HydrophobicContact CD1-CD1 3.84Å; Y227-I236 HydrophobicContact CD1-CG1 4.06Å; Y227-I236 HydrophobicContact CG-CD1 4.26Å; Y227-I236 PolarHBondContact N-O 3.24Å; Y227-I236 PolarHBondContact O-N 3.42Å; I236-V396 HydrophobicContact CD1-CG1 3.71Å; I236-V396 HydrophobicContact CG1-CG1 4Å; I236-V396 HydrophobicContact CG2-CG1 4.43Å; I236-V400 HydrophobicContact CD1-CG2 4.24Å; I236-V400 HydrophobicContact CG1-CG2 3.74Å; I236-V407 CarbonylContact C-O 3.15Å; I236-V407 WeakPolarHBondContact CA-O 3.37Å; I236-V409 HydrophobicContact CG2-CG2 4.14Å; I236-V422 HydrophobicContact CG2-CG1 4.45Å; I236-V422 HydrophobicContact CG2-CG2 4.22Å; I236-A425 HydrophobicContact CD1-CB 4.29Å; I236-L429 HydrophobicContact CD1-CD1 3.89Å
237	A	98.8	Very high	93.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	159.4	172.2	0	0	0	0	0	111.4	V224 V225 I261 V407 L408 V409	V224-A237 CarbonylContact O-C 3.6Å; V224-A237 WeakPolarHBondContact O-CA 3.37Å; V224-A237 WeakPolarHBondContact O-CB 3.4Å; V225-A237 HydrophobicContact CG2-CB 4.15Å; A237-I261 HydrophobicContact CB-CD1 4.44Å; A237-I261 HydrophobicContact CB-CG2 4.34Å; A237-V407 PolarHBondContact N-O 3.4Å; A237-L408 HydrophobicContact CB-CD1 3.59Å; A237-V409 PolarHBondContact O-N 2.95Å
238	R	98.8	Very high	93.1	Very high	1 Å²	1	37 Å²	37	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.6	176.9	64.3	-173.2	-65.7	177.7	-10.1	112.9	Y195 V224 V226 V409 T418 V422 D446 Y450	Y195-R238 PolarHBondContact OH-O 3.17Å; V224-R238 HydrophobicContact CG2-CG 4.35Å; V224-R238 PolarHBondContact N-O 3.36Å; V224-R238 VanDerWaalsContact N-O 3.15Å; V224-R238 PolarHBondContact O-N 3.39Å; V226-R238 HydrophobicContact CG1-CG 3.91Å; V226-R238 HydrophobicContact CG2-CG 4.11Å; R238-V409 WeakPolarHBondContact CA-O 2.95Å; R238-T418 HydrophobicContact CB-CG2 3.8Å; R238-V422 HydrophobicContact CB-CG2 4.4Å; R238-D446 IonicContact CZ-OD1 2.72Å; R238-D446 PolarHBondContact NH1-O 2.92Å; R238-D446 IonicContact NH1-OD1 3.24Å; R238-D446 PolarHBondContact NH1-OD1 3.3Å; R238-D446 PolarHBondContact NH2-O 3.21Å; R238-Y450 HydrophobicContact CG-CE1 4.45Å
239	C	98.8	Very high	92.7	Very high	1 Å²	1	44 Å²	44	1%	0.007	19%	0.193	C	C	.	.			trans	-157.6	-178.3	175.1	60.2	0	0	0	0	112.8	R217 R221 P223 L408 V409 H410 G414	R217-C239 PolarHBondContact NH1-SG 3.4Å; R221-C239 WeakPolarHBondContact O-CA 3.31Å; R221-C239 VanDerWaalsContact O-CB 3.28Å; R221-C239 WeakPolarHBondContact O-CB 3.35Å; P223-C239 HydrophobicContact CB-CB 4.44Å; P223-C239 HydrophobicContact CG-CB 4.03Å; C239-L408 HydrophobicContact CB-CD1 4.37Å; C239-V409 PolarHBondContact N-O 3.47Å; C239-H410 WeakPolarHBondContact O-CA 3.33Å; C239-H410 VanDerWaalsContact O-CB 3.25Å; C239-H410 WeakPolarHBondContact O-CB 3.36Å; C239-G414 WeakPolarHBondContact O-CA 3.49Å
240	S	98.7	Very high	92.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	21%	0.214	C	C	.	.			trans	-88.7	174.4	158.3	60.9	0	0	0	0	112.1	R217 S218 R221 S412	R217-S240 WeakPolarHBondContact CD-O 3.3Å; R217-S240 PolarHBondContact NH1-O 3.08Å; S218-S240 PolarHBondContact N-OG 3.17Å; S218-S240 VanDerWaalsContact N-OG 3.13Å; S218-S240 VanDerWaalsContact O-CB 3.27Å; S218-S240 WeakPolarHBondContact O-CB 3.47Å; S218-S240 PolarHBondContact O-OG 2.76Å; R221-S240 PolarHBondContact O-N 3.06Å; R221-S240 PolarHBondContact O-OG 3.25Å; S240-S412 WeakPolarHBondContact CA-O 3.49Å; S240-S412 WeakPolarHBondContact CB-O 3.24Å
241	Q	98.1	Very high	92.9	Very high	11 Å²	11	45.6 Å²	45.6	5%	0.051	20%	0.196	C	C	.	.			trans	-55.9	152.2	166.9	68.9	-173.7	-23.7	0	0	113	S218 N324 C411 S412	S218-Q241 PolarHBondContact N-O 3.14Å; Q241-N324 VanDerWaalsContact OE1-CB 3.31Å; Q241-C411 WeakPolarHBondContact CB-O 3.41Å; Q241-C411 PolarHBondContact N-O 3.42Å; Q241-S412 WeakPolarHBondContact CG-O 3.4Å; Q241-S412 PolarHBondContact N-O 2.91Å
242	P	97.3	Very high	93.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-77.7	147.9	164.5	34.5	-35.5	0	0	0	111.4	F216 I244 G329 G330 E332	F216-P242 HydrophobicContact CD1-CB 4.08Å; F216-P242 HydrophobicContact CE1-CB 3.44Å; F216-P242 VanDerWaalsContact CE1-CB 3.44Å; F216-P242 HydrophobicContact CE2-CB 4.49Å; F216-P242 HydrophobicContact CZ-CB 3.7Å; F216-P242 CarbonylContact O-C 3.58Å; P242-I244 VanDerWaalsContact C-N 3.28Å; P242-I244 HydrophobicContact CB-CD1 4.18Å; P242-I244 HydrophobicContact CB-CG1 4.02Å; P242-I244 HydrophobicContact CG-CD1 3.6Å; P242-I244 HydrophobicContact CG-CG1 3.97Å; P242-I244 PolarHBondContact O-N 2.86Å; P242-G329 CarbonylContact O-C 3.49Å; P242-G330 PolarHBondContact O-N 2.9Å; P242-G330 VanDerWaalsContact O-N 3.09Å; P242-E332 VanDerWaalsContact CD-OE2 3.25Å; P242-E332 WeakPolarHBondContact CD-OE2 3.49Å; P242-E332 HydrophobicContact CG-CG 4.25Å; P242-E332 WeakPolarHBondContact CG-OE2 3.38Å
243	E	94.9	Very high	93.7	Very high	76 Å²	76	46.1 Å²	46.1	36%	0.355	21%	0.206	S	C	.	.			trans	-92	55.9	-178.8	-60.5	-160.2	158.6	0	0	112.1	F216 S218 S245 G328	F216-E243 WeakPolarHBondContact O-CB 3.18Å; F216-E243 PolarHBondContact O-N 3.01Å; S218-E243 WeakPolarHBondContact CA-OE1 3.49Å; S218-E243 WeakPolarHBondContact CB-OE1 3.25Å; S218-E243 PolarHBondContact OG-OE1 3.16Å; E243-S245 PolarHBondContact O-N 2.94Å; E243-G328 CarbonylContact C-O 3.58Å; E243-G328 WeakPolarHBondContact CA-O 3.37Å; E243-G328 WeakPolarHBondContact CB-O 3.33Å
244	I	89.8	Confident	93.9	Very high	15 Å²	15	46.1 Å²	46.1	8%	0.077	21%	0.206	C	C	.	.			trans	-62.8	-31.3	180	-65.8	168.9	0	0	0	111.6	F216 P242 G248 W249 G329 C331	F216-I244 HydrophobicContact CE2-CG1 4.23Å; F216-I244 HydrophobicContact CZ-CG1 3.78Å; P242-I244 VanDerWaalsContact C-N 3.28Å; P242-I244 HydrophobicContact CB-CD1 4.18Å; P242-I244 HydrophobicContact CB-CG1 4.02Å; P242-I244 HydrophobicContact CG-CD1 3.6Å; P242-I244 HydrophobicContact CG-CG1 3.97Å; P242-I244 PolarHBondContact O-N 2.86Å; I244-G248 CarbonylContact O-C 3.56Å; I244-G248 PolarHBondContact O-N 3.5Å; I244-G248 VanDerWaalsContact O-N 3.11Å; I244-W249 PolarHBondContact O-N 3.15Å; I244-G329 PolarHBondContact N-O 3.12Å; I244-C331 WeakPolarHBondContact CD1-O 3.29Å
245	S	85.1	Confident	94	Very high	24 Å²	24	47.1 Å²	47.1	17%	0.168	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	-177.7	-177.9	-165.8	0	0	0	0	113.6	E243 W247 G248 R325 G328 G329	E243-S245 PolarHBondContact O-N 2.94Å; S245-W247 PolarHBondContact O-N 2.99Å; S245-G248 PolarHBondContact O-N 2.79Å; S245-R325 CarbonylContact C-O 3.42Å; S245-R325 VanDerWaalsContact C-O 3.3Å; S245-R325 WeakPolarHBondContact CA-O 3.24Å; S245-R325 WeakPolarHBondContact O-CG 3.17Å; S245-R325 PolarHBondContact O-NE 3.02Å; S245-G328 WeakPolarHBondContact CA-O 3.22Å; S245-G328 PolarHBondContact N-O 3.06Å; S245-G329 PolarHBondContact N-O 2.94Å
246	W	80.3	Confident	94	Very high	175 Å²	175	51.9 Å²	51.9	66%	0.663	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-38.8	173.7	-166.9	-90.1	0	0	0	111.1	G248 R325 A326	W246-G248 VanDerWaalsContact C-N 3.26Å; W246-G248 PolarHBondContact O-N 2.98Å; W246-R325 PolarHBondContact N-O 2.85Å; W246-R325 PolarHBondContact O-NH2 3.39Å; W246-A326 HydrophobicContact CE3-CB 4.07Å; W246-A326 HydrophobicContact CZ3-CB 4.2Å
247	W	81.6	Confident	94	Very high	201 Å²	201	52 Å²	52	76%	0.761	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.9	-175.3	-55.8	109.7	0	0	0	115.5	S245 W249	S245-W247 PolarHBondContact O-N 2.99Å; W247-W249 HydrophobicContact CB-CD2 4.33Å; W247-W249 HydrophobicContact CB-CZ2 4.29Å; W247-W249 AromaticContact CD1-NE1 3.76Å; W247-W249 HydrophobicContact CG-CZ2 4.42Å
248	G	84.3	Confident	93.9	Very high	24 Å²	24	52 Å²	52	25%	0.247	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	36.7	-177.5	0	0	0	0	0	113.1	I244 S245 W246	I244-G248 CarbonylContact O-C 3.56Å; I244-G248 PolarHBondContact O-N 3.5Å; I244-G248 VanDerWaalsContact O-N 3.11Å; S245-G248 PolarHBondContact O-N 2.79Å; W246-G248 VanDerWaalsContact C-N 3.26Å; W246-G248 PolarHBondContact O-N 2.98Å
249	W	88.6	Confident	93.7	Very high	159 Å²	159	54 Å²	54	60%	0.602	24%	0.242	S	C	*	.			trans	-57.9	147.9	173.8	-62.1	127.8	0	0	0	111.4	F216 I244 W247	F216-W249 HydrophobicContact CE2-CB 4.39Å; I244-W249 PolarHBondContact O-N 3.15Å; W247-W249 HydrophobicContact CB-CD2 4.33Å; W247-W249 HydrophobicContact CB-CZ2 4.29Å; W247-W249 AromaticContact CD1-NE1 3.76Å; W247-W249 HydrophobicContact CG-CZ2 4.42Å
250	R	94.4	Very high	93.7	Very high	125 Å²	125	54 Å²	54	47%	0.472	24%	0.242	S	C	.	.			trans	-134.6	155	-179.7	-69.8	175.7	61	-176.6	-4.7	109.1	E255 Y336	R250-E255 IonicContact CZ-OE1 2.9Å; R250-E255 IonicContact CZ-OE2 2.67Å; R250-E255 IonicContact NE-OE1 3.31Å; R250-E255 PolarHBondContact NE-OE1 2.93Å; R250-E255 IonicContact NE-OE2 2.69Å; R250-E255 VanDerWaalsContact NH2-CD 3.28Å; R250-E255 IonicContact NH2-OE1 2.7Å; R250-E255 PolarHBondContact NH2-OE1 2.93Å; R250-E255 VanDerWaalsContact NH2-OE1 3.1Å; R250-E255 IonicContact NH2-OE2 3.26Å; R250-E255 PolarHBondContact NH2-OE2 2.81Å; R250-Y336 HydrophobicContact CG-CD2 3.82Å; R250-Y336 HydrophobicContact CG-CE2 4.07Å; R250-Y336 HydrophobicContact CG-CG 4.39Å; R250-Y336 VanDerWaalsContact NH1-CD1 3.32Å
251	N	96.8	Very high	93.6	Very high	17 Å²	17	54.1 Å²	54.1	9%	0.091	24%	0.243	C	C	.	.			trans	-132.2	117.2	170.3	-176.9	-64.8	0	0	0	108.3	S212 F216 D253 D254 E255	S212-N251 PolarHBondContact O-ND2 2.91Å; S212-N251 PolarHBondContact OG-ND2 3.17Å; F216-N251 HydrophobicContact CB-CB 3.68Å; F216-N251 HydrophobicContact CD1-CB 3.52Å; F216-N251 HydrophobicContact CD2-CB 3.97Å; F216-N251 HydrophobicContact CE1-CB 4.04Å; F216-N251 HydrophobicContact CE2-CB 4.46Å; F216-N251 HydrophobicContact CG-CB 3.45Å; F216-N251 VanDerWaalsContact CG-CB 3.45Å; F216-N251 HydrophobicContact CZ-CB 4.47Å; N251-D253 PolarHBondContact O-N 2.98Å; N251-D253 WeakPolarHBondContact OD1-CA 3.49Å; N251-D253 VanDerWaalsContact OD1-CB 3.31Å; N251-D253 WeakPolarHBondContact OD1-CB 3.37Å; N251-D253 PolarHBondContact OD1-N 2.89Å; N251-D254 HydrophobicContact CB-CB 4.1Å; N251-D254 PolarHBondContact O-N 2.85Å; N251-D254 PolarHBondContact OD1-N 3.36Å; N251-E255 WeakPolarHBondContact O-CG 3.42Å; N251-E255 PolarHBondContact O-N 3.3Å; N251-E255 VanDerWaalsContact O-N 3.14Å
252	T	97.1	Very high	93.4	Very high	95 Å²	95	54.1 Å²	54.1	58%	0.583	25%	0.245	S	C	*	.	H	α-helix	trans	-62.2	-28.7	-178.2	45.6	0	0	0	0	112.8	Y256	T252-Y256 WeakPolarHBondContact O-CB 3.45Å; T252-Y256 PolarHBondContact O-N 3.34Å
253	D	98.3	Very high	93.2	Very high	43 Å²	43	59.4 Å²	59.4	23%	0.23	27%	0.267	C	S	.	.	H	α-helix	trans	-82.8	-24	-174.7	-44.1	-23.2	0	0	0	109.8	E209 S212 V213 N251 L257	E209-D253 HydrophobicContact CB-CB 4.31Å; E209-D253 HydrophobicContact CG-CB 4.42Å; S212-D253 WeakPolarHBondContact CB-OD2 3.46Å; S212-D253 PolarHBondContact OG-OD2 3.25Å; V213-D253 HydrophobicContact CG2-CB 4.02Å; V213-D253 WeakPolarHBondContact CG2-O 3.46Å; N251-D253 PolarHBondContact O-N 2.98Å; N251-D253 WeakPolarHBondContact OD1-CA 3.49Å; N251-D253 VanDerWaalsContact OD1-CB 3.31Å; N251-D253 WeakPolarHBondContact OD1-CB 3.37Å; N251-D253 PolarHBondContact OD1-N 2.89Å; D253-L257 WeakPolarHBondContact O-CB 3.26Å; D253-L257 PolarHBondContact O-N 3.23Å
254	D	98.3	Very high	93.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-76	-46.5	170.1	-174.9	87.8	0	0	0	110.8	V213 F216 R217 N251 Y256 L257 V258 Y337	V213-D254 HydrophobicContact CG1-CB 3.99Å; V213-D254 WeakPolarHBondContact CG1-OD1 3.43Å; V213-D254 HydrophobicContact CG2-CB 4.04Å; F216-D254 HydrophobicContact CD1-CB 3.8Å; F216-D254 HydrophobicContact CE1-CB 4.17Å; R217-D254 IonicContact CZ-OD1 3.52Å; R217-D254 IonicContact CZ-OD2 3.21Å; R217-D254 IonicContact NE-OD1 3.8Å; R217-D254 PolarHBondContact NE-OD1 3.21Å; R217-D254 IonicContact NE-OD2 3.88Å; R217-D254 IonicContact NH2-OD1 2.68Å; R217-D254 PolarHBondContact NH2-OD1 2.93Å; R217-D254 IonicContact NH2-OD2 2.9Å; R217-D254 PolarHBondContact NH2-OD2 3.28Å; N251-D254 HydrophobicContact CB-CB 4.1Å; N251-D254 PolarHBondContact O-N 2.85Å; N251-D254 PolarHBondContact OD1-N 3.36Å; D254-Y256 PolarHBondContact O-N 2.67Å; D254-L257 PolarHBondContact O-N 3.12Å; D254-V258 WeakPolarHBondContact O-CG2 3.19Å; D254-V258 PolarHBondContact O-N 2.92Å; D254-Y337 WeakPolarHBondContact OD2-CE1 3.47Å; D254-Y337 PolarHBondContact OD2-OH 3.29Å
255	E	97.4	Very high	93.3	Very high	22 Å²	22	55.3 Å²	55.3	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-55.4	-41	171	-68	168.2	-165	0	0	110.9	R250 N251 T259 Y337	R250-E255 IonicContact CZ-OE1 2.9Å; R250-E255 IonicContact CZ-OE2 2.67Å; R250-E255 IonicContact NE-OE1 3.31Å; R250-E255 PolarHBondContact NE-OE1 2.93Å; R250-E255 IonicContact NE-OE2 2.69Å; R250-E255 VanDerWaalsContact NH2-CD 3.28Å; R250-E255 IonicContact NH2-OE1 2.7Å; R250-E255 PolarHBondContact NH2-OE1 2.93Å; R250-E255 VanDerWaalsContact NH2-OE1 3.1Å; R250-E255 IonicContact NH2-OE2 3.26Å; R250-E255 PolarHBondContact NH2-OE2 2.81Å; N251-E255 WeakPolarHBondContact O-CG 3.42Å; N251-E255 PolarHBondContact O-N 3.3Å; N251-E255 VanDerWaalsContact O-N 3.14Å; E255-T259 VanDerWaalsContact O-CB 3.28Å; E255-T259 WeakPolarHBondContact O-CB 3.14Å; E255-T259 PolarHBondContact O-N 3.3Å; E255-T259 VanDerWaalsContact O-N 3.14Å; E255-T259 PolarHBondContact O-OG1 3.19Å; E255-Y337 HydrophobicContact CB-CE1 4.45Å; E255-Y337 HydrophobicContact CG-CD1 4.39Å; E255-Y337 HydrophobicContact CG-CE1 3.97Å; E255-Y337 HydrophobicContact CG-CE2 4.11Å
256	Y	97.7	Very high	93.4	Very high	101 Å²	101	58.1 Å²	58.1	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-73.9	-38.1	176.1	-179.5	-126	0	0	0	113.8	I205 E209 T252 D254 S260	I205-Y256 HydrophobicContact CD1-CD1 3.68Å; I205-Y256 HydrophobicContact CD1-CE1 3.55Å; I205-Y256 HydrophobicContact CD1-CG 4.5Å; E209-Y256 WeakPolarHBondContact OE1-CD1 3.45Å; E209-Y256 VanDerWaalsContact OE1-CE1 3.25Å; E209-Y256 WeakPolarHBondContact OE1-CE1 3.21Å; T252-Y256 WeakPolarHBondContact O-CB 3.45Å; T252-Y256 PolarHBondContact O-N 3.34Å; D254-Y256 PolarHBondContact O-N 2.67Å; Y256-S260 WeakPolarHBondContact O-CB 3.33Å; Y256-S260 PolarHBondContact O-N 2.97Å; Y256-S260 PolarHBondContact O-OG 3.18Å
257	L	98.3	Very high	93.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-48	175.6	172.5	59.4	0	0	0	111.3	I205 L210 V213 P223 D253 D254 T259 S260 I261	I205-L257 HydrophobicContact CD1-CD1 4.38Å; I205-L257 HydrophobicContact CG1-CD1 3.98Å; I205-L257 HydrophobicContact CG2-CD1 4.28Å; L210-L257 HydrophobicContact CD2-CD2 4.17Å; V213-L257 HydrophobicContact CB-CD2 4.41Å; V213-L257 HydrophobicContact CG1-CD2 4.07Å; V213-L257 HydrophobicContact CG2-CB 4.37Å; V213-L257 HydrophobicContact CG2-CD2 4.16Å; P223-L257 HydrophobicContact CB-CD2 4.01Å; P223-L257 HydrophobicContact CB-CG 4.31Å; P223-L257 HydrophobicContact CG-CD2 4.19Å; D253-L257 WeakPolarHBondContact O-CB 3.26Å; D253-L257 PolarHBondContact O-N 3.23Å; D254-L257 PolarHBondContact O-N 3.12Å; L257-T259 VanDerWaalsContact C-N 3.33Å; L257-T259 PolarHBondContact O-N 2.85Å; L257-S260 CarbonylContact O-C 3.58Å; L257-S260 PolarHBondContact O-N 3.41Å; L257-S260 VanDerWaalsContact O-N 3.09Å; L257-I261 HydrophobicContact CD1-CD1 4.08Å; L257-I261 HydrophobicContact CD1-CG1 4.19Å; L257-I261 HydrophobicContact CG-CD1 4.2Å; L257-I261 WeakPolarHBondContact O-CG1 3.46Å; L257-I261 PolarHBondContact O-N 3.07Å
258	V	97.4	Very high	94.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-44.2	177.9	175.9	0	0	0	0	110.2	P223 D254 S260 I261 A262 L310 I312 Y337 L408	P223-V258 HydrophobicContact CG-CG2 4.08Å; D254-V258 WeakPolarHBondContact O-CG2 3.19Å; D254-V258 PolarHBondContact O-N 2.92Å; V258-S260 VanDerWaalsContact C-N 3.3Å; V258-S260 PolarHBondContact O-N 2.87Å; V258-I261 PolarHBondContact O-N 2.72Å; V258-A262 PolarHBondContact O-N 3.39Å; V258-L310 HydrophobicContact CG1-CD1 4.15Å; V258-L310 HydrophobicContact CG1-CD2 4.01Å; V258-I312 HydrophobicContact CG1-CD1 4.5Å; V258-Y337 HydrophobicContact CB-CD1 4.34Å; V258-Y337 HydrophobicContact CB-CE1 4.36Å; V258-Y337 HydrophobicContact CG1-CD1 4.33Å; V258-Y337 HydrophobicContact CG2-CE1 4.21Å; V258-L408 HydrophobicContact CG1-CD2 4.32Å; V258-L408 HydrophobicContact CG2-CD2 3.96Å
259	T	95.6	Very high	93.9	Very high	43 Å²	43	48 Å²	48	26%	0.264	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-35.2	173.4	-57.7	0	0	0	0	112.3	E255 L257 A262 K263	E255-T259 VanDerWaalsContact O-CB 3.28Å; E255-T259 WeakPolarHBondContact O-CB 3.14Å; E255-T259 PolarHBondContact O-N 3.3Å; E255-T259 VanDerWaalsContact O-N 3.14Å; E255-T259 PolarHBondContact O-OG1 3.19Å; L257-T259 VanDerWaalsContact C-N 3.33Å; L257-T259 PolarHBondContact O-N 2.85Å; T259-A262 WeakPolarHBondContact O-CB 3.49Å; T259-A262 PolarHBondContact O-N 2.77Å; T259-K263 WeakPolarHBondContact O-CB 3.43Å; T259-K263 PolarHBondContact O-N 2.81Å
260	S	96.9	Very high	92.8	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-73	-33.2	178	-71.5	0	0	0	0	113.3	W204 Y256 L257 V258 A262 K263 A264	W204-S260 PolarHBondContact NE1-OG 3.33Å; Y256-S260 WeakPolarHBondContact O-CB 3.33Å; Y256-S260 PolarHBondContact O-N 2.97Å; Y256-S260 PolarHBondContact O-OG 3.18Å; L257-S260 CarbonylContact O-C 3.58Å; L257-S260 PolarHBondContact O-N 3.41Å; L257-S260 VanDerWaalsContact O-N 3.09Å; V258-S260 VanDerWaalsContact C-N 3.3Å; V258-S260 PolarHBondContact O-N 2.87Å; S260-A262 VanDerWaalsContact C-N 3.34Å; S260-K263 PolarHBondContact O-N 3.48Å; S260-A264 VanDerWaalsContact O-CB 3.23Å; S260-A264 WeakPolarHBondContact O-CB 3.33Å; S260-A264 PolarHBondContact O-N 3.38Å
261	I	96.9	Very high	91.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-44.1	170.9	-70	166.3	0	0	0	109.6	P202 P223 V225 V235 A237 L257 V258 A264 C265 L310	P202-I261 HydrophobicContact CG-CG1 4.06Å; P223-I261 HydrophobicContact CB-CD1 3.74Å; V225-I261 HydrophobicContact CG2-CG1 4.37Å; V225-I261 HydrophobicContact CG2-CG2 3.91Å; V235-I261 HydrophobicContact CG2-CG2 4.02Å; A237-I261 HydrophobicContact CB-CD1 4.44Å; A237-I261 HydrophobicContact CB-CG2 4.34Å; L257-I261 HydrophobicContact CD1-CD1 4.08Å; L257-I261 HydrophobicContact CD1-CG1 4.19Å; L257-I261 HydrophobicContact CG-CD1 4.2Å; L257-I261 WeakPolarHBondContact O-CG1 3.46Å; L257-I261 PolarHBondContact O-N 3.07Å; V258-I261 PolarHBondContact O-N 2.72Å; I261-A264 PolarHBondContact O-N 3.03Å; I261-C265 WeakPolarHBondContact O-CB 3.46Å; I261-C265 PolarHBondContact O-N 2.91Å; I261-L310 HydrophobicContact CG2-CD1 4.31Å
262	A	93.9	Very high	88.8	Confident	11 Å²	11	47.3 Å²	47.3	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-44	174.2	0	0	0	0	0	112.1	V258 T259 S260 C265 H266 L310 P406	V258-A262 PolarHBondContact O-N 3.39Å; T259-A262 WeakPolarHBondContact O-CB 3.49Å; T259-A262 PolarHBondContact O-N 2.77Å; S260-A262 VanDerWaalsContact C-N 3.34Å; A262-C265 WeakPolarHBondContact O-CB 3.3Å; A262-C265 PolarHBondContact O-N 3.47Å; A262-H266 PolarHBondContact O-N 3.34Å; A262-H266 PolarHBondContact O-ND1 3.27Å; A262-L310 HydrophobicContact CB-CB 4.01Å; A262-L310 HydrophobicContact CB-CD1 3.99Å; A262-P406 HydrophobicContact CB-CG 4.29Å
263	K	93.9	Very high	86.1	Confident	110 Å²	110	46.1 Å²	46.1	48%	0.478	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-44.5	176.6	-177.7	-173.3	172.1	-162.4	0	112.3	W204 T259 S260 C265 H266 M267	W204-K263 HydrophobicContact CH2-CD 4.2Å; W204-K263 HydrophobicContact CH2-CG 4.22Å; W204-K263 HydrophobicContact CZ2-CB 4.16Å; W204-K263 HydrophobicContact CZ2-CD 3.78Å; W204-K263 HydrophobicContact CZ2-CG 4.07Å; T259-K263 WeakPolarHBondContact O-CB 3.43Å; T259-K263 PolarHBondContact O-N 2.81Å; S260-K263 PolarHBondContact O-N 3.48Å; K263-C265 VanDerWaalsContact C-N 3.34Å; K263-C265 PolarHBondContact O-N 2.9Å; K263-H266 PolarHBondContact O-N 3.45Å; K263-H266 VanDerWaalsContact O-N 3.12Å; K263-M267 HydrophobicContact CD-SD 4.36Å; K263-M267 HydrophobicContact CG-SD 4Å; K263-M267 WeakPolarHBondContact O-CG 3.4Å; K263-M267 PolarHBondContact O-N 3.38Å; K263-M267 VanDerWaalsContact O-N 3.07Å
264	A	93.9	Very high	83.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-42	178.2	0	0	0	0	0	111.8	V179 W180 P202 W204 S260 I261 H266 M267 D268	V179-A264 HydrophobicContact CG1-CB 3.7Å; V179-A264 WeakPolarHBondContact CG1-O 3.42Å; W180-A264 HydrophobicContact CD2-CB 4.35Å; W180-A264 HydrophobicContact CE3-CB 4.22Å; W180-A264 HydrophobicContact CH2-CB 3.39Å; W180-A264 HydrophobicContact CZ2-CB 3.55Å; W180-A264 HydrophobicContact CZ3-CB 3.74Å; P202-A264 HydrophobicContact CB-CB 4.06Å; P202-A264 HydrophobicContact CG-CB 3.99Å; W204-A264 HydrophobicContact CH2-CB 3.81Å; W204-A264 HydrophobicContact CZ2-CB 4.19Å; S260-A264 VanDerWaalsContact O-CB 3.23Å; S260-A264 WeakPolarHBondContact O-CB 3.33Å; S260-A264 PolarHBondContact O-N 3.38Å; I261-A264 PolarHBondContact O-N 3.03Å; A264-H266 VanDerWaalsContact C-N 3.27Å; A264-H266 PolarHBondContact O-N 3.06Å; A264-M267 PolarHBondContact O-N 2.92Å; A264-D268 PolarHBondContact O-N 3.26Å
265	C	91.8	Very high	80.3	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.034	32%	0.32	C	S	.	.	H	α-helix	trans	-55.7	-37.3	171.8	-174.1	0	0	0	0	113.7	G233 A234 V235 I261 A262 K263 P406	G233-C265 PolarHBondContact O-SG 3.15Å; G233-C265 VanDerWaalsContact O-SG 3.36Å; A234-C265 VanDerWaalsContact CA-SG 3.58Å; V235-C265 HydrophobicContact CG2-CB 3.94Å; I261-C265 WeakPolarHBondContact O-CB 3.46Å; I261-C265 PolarHBondContact O-N 2.91Å; A262-C265 WeakPolarHBondContact O-CB 3.3Å; A262-C265 PolarHBondContact O-N 3.47Å; K263-C265 VanDerWaalsContact C-N 3.34Å; K263-C265 PolarHBondContact O-N 2.9Å; C265-P406 HydrophobicContact CB-CB 4Å; C265-P406 HydrophobicContact CB-CG 4.27Å
266	H	88.6	Confident	77.3	Confident	83 Å²	83	59 Å²	59	38%	0.384	35%	0.349	S	S	.	.	H	α-helix	trans	-82.7	-15	177.3	-70.4	86.6	0	0	0	113.4	A262 K263 A264	A262-H266 PolarHBondContact O-N 3.34Å; A262-H266 PolarHBondContact O-ND1 3.27Å; K263-H266 PolarHBondContact O-N 3.45Å; K263-H266 VanDerWaalsContact O-N 3.12Å; A264-H266 VanDerWaalsContact C-N 3.27Å; A264-H266 PolarHBondContact O-N 3.06Å
267	M	90.4	Very high	74.4	Confident	93 Å²	93	61.5 Å²	61.5	46%	0.458	37%	0.374	S	S	.	.	H	α-helix	trans	-89.6	-43.7	175.9	-72.7	175.2	57.6	0	0	111.6	V179 W204 K263 A264 T269	V179-M267 HydrophobicContact CG1-CB 4.04Å; V179-M267 HydrophobicContact CG2-CB 4.07Å; V179-M267 HydrophobicContact CG2-CE 4.47Å; W204-M267 HydrophobicContact CH2-CE 4.28Å; W204-M267 HydrophobicContact CH2-SD 3.56Å; W204-M267 VanDerWaalsContact CH2-SD 3.56Å; W204-M267 HydrophobicContact CZ3-CE 3.79Å; W204-M267 HydrophobicContact CZ3-SD 3.69Å; K263-M267 HydrophobicContact CD-SD 4.36Å; K263-M267 HydrophobicContact CG-SD 4Å; K263-M267 WeakPolarHBondContact O-CG 3.4Å; K263-M267 PolarHBondContact O-N 3.38Å; K263-M267 VanDerWaalsContact O-N 3.07Å; A264-M267 PolarHBondContact O-N 2.92Å; M267-T269 PolarHBondContact O-N 3.4Å; M267-T269 VanDerWaalsContact O-N 3.12Å
268	D	88.4	Confident	71.5	Confident	14 Å²	14	72.3 Å²	72.3	8%	0.075	42%	0.415	C	S	.	.	S	Bend	trans	-87.9	57.9	177.1	-175.7	13.9	0	0	0	111.2	D175 V179 W180 R228 G233 A264	D175-D268 PolarHBondContact N-OD2 3.39Å; V179-D268 HydrophobicContact CB-CB 4.02Å; V179-D268 HydrophobicContact CG1-CB 3.82Å; V179-D268 HydrophobicContact CG2-CB 4.06Å; W180-D268 PolarHBondContact NE1-OD2 3.38Å; R228-D268 WeakPolarHBondContact CD-OD2 3.46Å; R228-D268 IonicContact CZ-OD1 3.85Å; R228-D268 IonicContact CZ-OD2 2.73Å; R228-D268 IonicContact NE-OD1 2.72Å; R228-D268 PolarHBondContact NE-OD1 3.37Å; R228-D268 IonicContact NE-OD2 3.1Å; R228-D268 PolarHBondContact NE-OD2 3.03Å; R228-D268 PolarHBondContact NH2-O 2.93Å; R228-D268 VanDerWaalsContact NH2-O 3.14Å; R228-D268 IonicContact NH2-OD1 3.7Å; R228-D268 PolarHBondContact NH2-OD1 3.09Å; R228-D268 IonicContact NH2-OD2 3.33Å; G233-D268 WeakPolarHBondContact CA-O 3.47Å; A264-D268 PolarHBondContact O-N 3.26Å
269	T	76.9	Confident	68.5	Low	82 Å²	82	81.5 Å²	81.5	50%	0.503	46%	0.458	S	S	.	.			trans	-62.4	149.5	174.2	54.6	0	0	0	0	111.3	R228 M267	R228-T269 PolarHBondContact NH2-O 2.83Å; M267-T269 PolarHBondContact O-N 3.4Å; M267-T269 VanDerWaalsContact O-N 3.12Å
270	G	65.7	Low	65.8	Low	8 Å²	8	91.5 Å²	91.5	8%	0.082	49%	0.491	C	S	.	.			trans	-63.8	-173.2	178.2	0	0	0	0	0	114.1	Q230 N232 K272	Q230-G270 WeakPolarHBondContact O-CA 3.48Å; N232-G270 VanDerWaalsContact C-N 3.31Å; N232-G270 PolarHBondContact O-N 3.27Å; G270-K272 PolarHBondContact O-N 2.92Å
271	A	57.8	Low	62.8	Low	94 Å²	94	94.7 Å²	94.7	78%	0.777	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	49.2	-170.3	0	0	0	0	0	116.4
272	K	49.4	Very low	59.9	Low	184 Å²	184	104.4 Å²	104.4	80%	0.8	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-3.1	169.5	-69.2	-173.2	175.6	-177.9	0	113.6	G270 T274	G270-K272 PolarHBondContact O-N 2.92Å; K272-T274 VanDerWaalsContact C-N 3.28Å; K272-T274 PolarHBondContact O-N 2.94Å
273	G	41.4	Very low	57	Low	69 Å²	69	108.3 Å²	108.3	71%	0.711	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-3.3	-176	0	0	0	0	0	117
274	T	36.2	Very low	55.1	Low	140 Å²	140	108 Å²	108	86%	0.859	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	28.3	-174.2	41.8	0	0	0	0	114.5	K272 T276	K272-T274 VanDerWaalsContact C-N 3.28Å; K272-T274 PolarHBondContact O-N 2.94Å; T274-T276 PolarHBondContact O-N 2.57Å
275	A	37.9	Very low	52.3	Low	80 Å²	80	115 Å²	115	66%	0.661	65%	0.648	S	S	*	*	S	Bend	trans	-85.3	88.1	170.3	0	0	0	0	0	112.2
276	T	35.1	Very low	49.5	Very low	117 Å²	117	120.8 Å²	120.8	72%	0.718	69%	0.689	S	S	*	*			trans	49	73.7	158	55.4	0	0	0	0	118.5	T274 R278	T274-T276 PolarHBondContact O-N 2.57Å; T276-R278 VanDerWaalsContact C-N 3.29Å; T276-R278 PolarHBondContact O-N 3.16Å; T276-R278 VanDerWaalsContact O-N 3.07Å
277	V	36.4	Very low	47	Very low	153 Å²	153	122.6 Å²	122.6	93%	0.927	71%	0.709	S	S	*	*			trans	-73.6	89	147.7	-179.6	0	0	0	0	108
278	R	36.3	Very low	44.3	Very low	227 Å²	227	125.8 Å²	125.8	86%	0.857	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-82.4	152	167.8	-92.1	-172.2	169.7	-175	-2.4	110.8	T276	T276-R278 VanDerWaalsContact C-N 3.29Å; T276-R278 PolarHBondContact O-N 3.16Å; T276-R278 VanDerWaalsContact O-N 3.07Å
279	Q	35.7	Very low	42	Very low	194 Å²	194	129 Å²	129	91%	0.907	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-74.4	152.8	-162.5	-71.4	171.8	-32.1	0	0	113.9
280	R	38.1	Very low	40.1	Very low	254 Å²	254	131.9 Å²	131.9	96%	0.958	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-64.9	126.1	172	-164.9	-174.4	-157.4	-175.4	6.1	110.1
281	G	33.4	Very low	38.5	Very low	69 Å²	69	140.4 Å²	140.4	71%	0.711	80%	0.799	S	S	*	*			trans	-122.5	161.9	169.6	0	0	0	0	0	110.8
282	E	36.5	Very low	37.4	Very low	206 Å²	206	141.9 Å²	141.9	96%	0.963	79%	0.794	S	S	*	*			trans	-97.4	171.4	-170	-63.8	-179.9	120.1	0	0	113.6
283	A	33.5	Very low	36.7	Very low	93 Å²	93	137.4 Å²	137.4	77%	0.769	79%	0.786	S	S	*	*			trans	-89.1	-169.4	-165.8	0	0	0	0	0	112.3
284	P	54.5	Low	36.4	Very low	102 Å²	102	139.1 Å²	139.1	66%	0.662	79%	0.787	S	S	*	*			cis	-144.9	-169.7	7.5	46.1	-26	0	0	0	117.8
285	D	33.7	Very low	36.7	Very low	147 Å²	147	140.1 Å²	140.1	79%	0.786	79%	0.786	S	S	*	*			trans	63.7	114	151.7	-59	-23.3	0	0	0	122.4
286	S	33.9	Very low	36.7	Very low	128 Å²	128	143.2 Å²	143.2	90%	0.895	80%	0.797	S	S	*	*				-169.1	161.2	121.4	29.4	0	0	0	0	111.3
287	C	35.5	Very low	37.1	Very low	120 Å²	120	142 Å²	142	81%	0.811	81%	0.808	S	S	*	*			trans	-119.2	150.6	-177.7	55.5	0	0	0	0	111.8
288	D	33	Very low	36.7	Very low	160 Å²	160	138.2 Å²	138.2	86%	0.856	80%	0.799	S	S	*	*				-163	-177.2	116	-135.5	-29.4	0	0	0	111.5
289	S	40.3	Very low	37.2	Very low	83 Å²	83	134.1 Å²	134.1	58%	0.58	81%	0.806	S	S	*	*			trans	-112.8	173.5	-168.2	61.9	0	0	0	0	117.2
290	D	37.7	Very low	36.9	Very low	142 Å²	142	128.1 Å²	128.1	76%	0.759	80%	0.796	S	S	*	*			trans	85.8	108.9	148.8	-62.4	-41.6	0	0	0	122.9
291	F	31.8	Very low	37.2	Very low	187 Å²	187	122.1 Å²	122.1	82%	0.82	79%	0.791	S	S	*	*				95.2	102.6	116.3	-155.1	-101.9	0	0	0	122.2
292	D	34.3	Very low	37.2	Very low	124 Å²	124	126.1 Å²	126.1	66%	0.663	80%	0.797	S	S	*	*			trans	92.8	156.4	131.8	-164.6	50	0	0	0	122.9
293	S	35.1	Very low	37.4	Very low	91 Å²	91	122.4 Å²	122.4	64%	0.636	78%	0.783	S	S	*	*			trans	80.2	78.3	158.5	-81.6	0	0	0	0	120.8
294	S	34.9	Very low	37.8	Very low	104 Å²	104	122.8 Å²	122.8	73%	0.727	78%	0.78	S	S	*	*				57.7	125.3	111.9	-151.4	0	0	0	0	122.1
295	L	42.6	Very low	37.7	Very low	162 Å²	162	122.9 Å²	122.9	85%	0.848	78%	0.779	S	S	*	*			trans	60.9	78.3	147.9	-66.5	171.2	0	0	0	120
296	T	39.1	Very low	38.8	Very low	145 Å²	145	121.8 Å²	121.8	89%	0.89	78%	0.777	S	S	*	*			trans	-136	140.7	137.6	50.6	0	0	0	0	110.2
297	G	42	Very low	40.3	Very low	92 Å²	92	120.1 Å²	120.1	95%	0.948	76%	0.764	S	S	*	*			trans	-74.4	131.9	-177.3	0	0	0	0	0	113.3
298	G	28	Very low	42.2	Very low	72 Å²	72	118.4 Å²	118.4	74%	0.742	74%	0.744	S	S	*	*			trans	-139.4	132.7	167.8	0	0	0	0	0	109.4	G300	G298-G300 PolarHBondContact O-N 3.12Å
299	S	46.9	Very low	44.9	Very low	142 Å²	142	114.8 Å²	114.8	99%	0.993	72%	0.721	S	S	*	*			trans	-72.7	108.4	178	-169.1	0	0	0	0	109.4
300	G	29.6	Very low	47.6	Very low	68 Å²	68	110.9 Å²	110.9	70%	0.701	69%	0.693	S	S	*	*			trans	-126	135.7	-179.4	0	0	0	0	0	110.4	G298 D302	G298-G300 PolarHBondContact O-N 3.12Å; G300-D302 PolarHBondContact O-N 2.95Å
301	C	44.5	Very low	50.4	Low	127 Å²	127	104.2 Å²	104.2	86%	0.858	66%	0.658	S	S	*	*			trans	-70.3	114.3	-171.4	50.2	0	0	0	0	114.1
302	D	33.5	Very low	53.6	Low	153 Å²	153	95.3 Å²	95.3	82%	0.818	62%	0.619	S	S	*	*			trans	-112.5	88.4	150.3	-98.1	-37.9	0	0	0	107.8	G300 S304	G300-D302 PolarHBondContact O-N 2.95Å; D302-S304 PolarHBondContact O-N 3.37Å
303	D	42	Very low	56.7	Low	128 Å²	128	89.4 Å²	89.4	68%	0.684	59%	0.587	S	S	*	*			trans	-79.3	65.5	174.8	-170.7	6.3	0	0	0	110.5	T305	D303-T305 PolarHBondContact O-N 3.35Å; D303-T305 WeakPolarHBondContact OD1-CB 3.25Å; D303-T305 WeakPolarHBondContact OD1-CG2 3.45Å; D303-T305 PolarHBondContact OD1-N 3.42Å; D303-T305 PolarHBondContact OD1-OG1 2.89Å
304	S	40.5	Very low	59.7	Low	101 Å²	101	85.1 Å²	85.1	71%	0.706	56%	0.557	S	S	*	*			trans	-81.4	55.9	169.2	66.2	0	0	0	0	110.2	D302 V306	D302-S304 PolarHBondContact O-N 3.37Å; S304-V306 PolarHBondContact O-N 3.29Å
305	T	52.7	Low	62.7	Low	104 Å²	104	80.1 Å²	80.1	64%	0.638	52%	0.522	S	S	*	.			trans	-62.8	99	174.2	20.7	0	0	0	0	109.9	D303 P307	D303-T305 PolarHBondContact O-N 3.35Å; D303-T305 WeakPolarHBondContact OD1-CB 3.25Å; D303-T305 WeakPolarHBondContact OD1-CG2 3.45Å; D303-T305 PolarHBondContact OD1-N 3.42Å; D303-T305 PolarHBondContact OD1-OG1 2.89Å; T305-P307 WeakPolarHBondContact O-CD 3.43Å
306	V	57.6	Low	65.4	Low	124 Å²	124	72.5 Å²	72.5	75%	0.752	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-56.2	120.7	168.4	179.2	0	0	0	0	107.5	S304 Q308	S304-V306 PolarHBondContact O-N 3.29Å; V306-Q308 PolarHBondContact O-N 2.93Å
307	P	63.8	Low	68.1	Low	94 Å²	94	67.3 Å²	67.3	61%	0.61	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-54.5	126.9	-177.9	-28.1	35.8	0	0	0	110.6	T305 K309	T305-P307 WeakPolarHBondContact O-CD 3.43Å; P307-K309 PolarHBondContact O-N 3.39Å
308	Q	75.6	Confident	70.6	Confident	83 Å²	83	69.5 Å²	69.5	39%	0.388	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-68.9	132.5	-173.8	-71.5	-171.7	30.8	0	0	110.5	V306 E403 R405	V306-Q308 PolarHBondContact O-N 2.93Å; Q308-E403 PolarHBondContact NE2-O 2.81Å; Q308-E403 PolarHBondContact OE1-O 2.89Å; Q308-R405 HydrophobicContact CB-CG 4.35Å
309	K	90.8	Very high	73.7	Confident	85 Å²	85	71.1 Å²	71.1	37%	0.37	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-52.9	140.1	173.5	-75.2	-178.4	156.7	-136.7	0	110.2	P307 P338 N339 C340 R405	P307-K309 PolarHBondContact O-N 3.39Å; K309-P338 WeakPolarHBondContact CE-O 3.35Å; K309-P338 PolarHBondContact NZ-O 3.14Å; K309-N339 CarbonylContact C-O 3.11Å; K309-N339 WeakPolarHBondContact CA-O 3.5Å; K309-N339 WeakPolarHBondContact CB-O 3.41Å; K309-C340 WeakPolarHBondContact CD-O 3.43Å; K309-C340 PolarHBondContact NZ-O 3.16Å; K309-R405 WeakPolarHBondContact O-CG 3.19Å; K309-R405 PolarHBondContact O-NE 2.89Å; K309-R405 PolarHBondContact O-NH2 3.39Å; K309-R405 VanDerWaalsContact O-NH2 3.15Å
310	L	95.6	Very high	76	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	138.1	169.2	179.7	149.7	0	0	0	109.9	V258 I261 A262 I312 N339 C340 E341 P406 L408	V258-L310 HydrophobicContact CG1-CD1 4.15Å; V258-L310 HydrophobicContact CG1-CD2 4.01Å; I261-L310 HydrophobicContact CG2-CD1 4.31Å; A262-L310 HydrophobicContact CB-CB 4.01Å; A262-L310 HydrophobicContact CB-CD1 3.99Å; L310-I312 HydrophobicContact CD2-CD1 4.42Å; L310-I312 HydrophobicContact CD2-CG1 3.51Å; L310-N339 PolarHBondContact N-O 2.81Å; L310-C340 CarbonylContact O-C 3.54Å; L310-C340 VanDerWaalsContact O-CA 3.23Å; L310-C340 WeakPolarHBondContact O-CA 3.46Å; L310-E341 PolarHBondContact O-N 2.88Å; L310-P406 WeakPolarHBondContact CA-O 3.13Å; L310-P406 HydrophobicContact CB-CG 4.19Å; L310-P406 HydrophobicContact CD1-CB 4.26Å; L310-P406 HydrophobicContact CG-CB 4.39Å; L310-P406 HydrophobicContact CG-CG 4.42Å; L310-L408 HydrophobicContact CD2-CB 3.84Å
311	L	98	Very high	79	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.9	174.5	178.7	62.4	0	0	0	109.6	L313 M343 L395 A399 P406 V407 L408	L311-L313 HydrophobicContact CD2-CD1 4.43Å; L311-M343 HydrophobicContact CD1-CB 4.06Å; L311-M343 HydrophobicContact CD1-CE 4.34Å; L311-L395 HydrophobicContact CD2-CD2 3.66Å; L311-A399 HydrophobicContact CD2-CB 4.15Å; L311-P406 PolarHBondContact N-O 3.37Å; L311-V407 HydrophobicContact CB-CG1 4.31Å; L311-V407 HydrophobicContact CB-CG2 4.32Å; L311-V407 HydrophobicContact CD2-CG1 4.29Å; L311-V407 HydrophobicContact CD2-CG2 4.45Å; L311-V407 HydrophobicContact CG-CG1 4.35Å; L311-V407 CarbonylContact O-C 3.58Å; L311-V407 WeakPolarHBondContact O-CA 3.28Å; L311-L408 PolarHBondContact O-N 3.3Å
312	I	98.6	Very high	81.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.6	168.9	-57.8	-177.8	0	0	0	107.4	V258 L310 E332 C340 E341 V342 M343 L408 H410	V258-I312 HydrophobicContact CG1-CD1 4.5Å; L310-I312 HydrophobicContact CD2-CD1 4.42Å; L310-I312 HydrophobicContact CD2-CG1 3.51Å; I312-E332 HydrophobicContact CD1-CB 3.77Å; I312-E332 HydrophobicContact CD1-CG 3.77Å; I312-C340 HydrophobicContact CD1-CB 3.8Å; I312-C340 HydrophobicContact CG1-CB 4.06Å; I312-E341 PolarHBondContact N-O 3.33Å; I312-V342 HydrophobicContact CB-CG2 4.28Å; I312-V342 HydrophobicContact CD1-CG2 4.44Å; I312-V342 HydrophobicContact CG2-CG1 4.46Å; I312-V342 WeakPolarHBondContact O-CA 3.3Å; I312-M343 PolarHBondContact O-N 3.32Å; I312-L408 WeakPolarHBondContact CA-O 3.49Å; I312-L408 HydrophobicContact CG1-CD2 4.47Å; I312-H410 WeakPolarHBondContact CG2-NE2 3.38Å
313	L	98.6	Very high	83.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	97.7	-177.7	-170	136.9	0	0	0	109.5	L311 M345 L395 V396 V407 L408 V409 H410 I421	L311-L313 HydrophobicContact CD2-CD1 4.43Å; L313-M345 HydrophobicContact CD1-CG 4.12Å; L313-M345 HydrophobicContact CD1-SD 3.84Å; L313-M345 HydrophobicContact CD2-CG 3.69Å; L313-M345 HydrophobicContact CD2-SD 4.5Å; L313-M345 HydrophobicContact CG-CG 3.83Å; L313-M345 HydrophobicContact CG-SD 4.15Å; L313-L395 HydrophobicContact CD1-CD2 3.92Å; L313-V396 HydrophobicContact CD1-CG2 3.94Å; L313-V396 HydrophobicContact CD2-CG2 4.33Å; L313-V407 HydrophobicContact CB-CG1 4.4Å; L313-L408 PolarHBondContact N-O 3.46Å; L313-V409 HydrophobicContact CD2-CG1 4.04Å; L313-V409 HydrophobicContact CD2-CG2 4.49Å; L313-H410 PolarHBondContact O-N 2.78Å; L313-I421 HydrophobicContact CD2-CD1 3.78Å; L313-I421 HydrophobicContact CD2-CG2 4.18Å
314	D	98.6	Very high	86.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.7	171	-170.9	-16.4	0	0	0	108.6	R316 M343 F344 M345 H410	D314-R316 VanDerWaalsContact CG-NE 3.33Å; D314-R316 PolarHBondContact O-N 2.89Å; D314-R316 VanDerWaalsContact O-N 3.11Å; D314-R316 WeakPolarHBondContact OD1-CB 3.43Å; D314-R316 WeakPolarHBondContact OD1-CG 3.38Å; D314-R316 IonicContact OD1-CZ 3.37Å; D314-R316 PolarHBondContact OD1-N 3.37Å; D314-R316 IonicContact OD1-NE 3.13Å; D314-R316 PolarHBondContact OD1-NE 3.1Å; D314-R316 IonicContact OD1-NH2 3.17Å; D314-R316 IonicContact OD2-CZ 3.63Å; D314-R316 IonicContact OD2-NE 2.7Å; D314-R316 PolarHBondContact OD2-NE 3.19Å; D314-R316 IonicContact OD2-NH2 3.65Å; D314-R316 PolarHBondContact OD2-NH2 3.36Å; D314-M343 PolarHBondContact N-O 2.85Å; D314-F344 HydrophobicContact CB-CD1 3.75Å; D314-F344 HydrophobicContact CB-CE1 3.87Å; D314-F344 WeakPolarHBondContact O-CA 3.39Å; D314-F344 WeakPolarHBondContact OD2-CE1 3.49Å; D314-M345 PolarHBondContact O-N 3.48Å; D314-H410 IonicContact OD2-CE1 2.7Å
315	A	98.6	Very high	88.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-62.2	-19.5	177.7	0	0	0	0	0	113.2	G346 M347 H410 C411 R417 I421	A315-G346 PolarHBondContact O-N 2.86Å; A315-M347 HydrophobicContact CB-SD 4.09Å; A315-M347 WeakPolarHBondContact O-CA 3.36Å; A315-M347 WeakPolarHBondContact O-CB 3.49Å; A315-M347 PolarHBondContact O-N 2.77Å; A315-H410 PolarHBondContact N-O 3.23Å; A315-C411 HydrophobicContact CB-CB 3.91Å; A315-R417 HydrophobicContact CB-CB 3.54Å; A315-R417 HydrophobicContact CB-CG 4.32Å; A315-I421 HydrophobicContact CB-CD1 3.58Å
316	R	98.3	Very high	90.3	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	27%	0.274	C	S	.	.	S	Bend	trans	-76.2	170.5	-175.3	-61.3	174.9	-65.7	-176	8	112.3	D314 A320 G330 F344 M345 G346 C411 S412	D314-R316 VanDerWaalsContact CG-NE 3.33Å; D314-R316 PolarHBondContact O-N 2.89Å; D314-R316 VanDerWaalsContact O-N 3.11Å; D314-R316 WeakPolarHBondContact OD1-CB 3.43Å; D314-R316 WeakPolarHBondContact OD1-CG 3.38Å; D314-R316 IonicContact OD1-CZ 3.37Å; D314-R316 PolarHBondContact OD1-N 3.37Å; D314-R316 IonicContact OD1-NE 3.13Å; D314-R316 PolarHBondContact OD1-NE 3.1Å; D314-R316 IonicContact OD1-NH2 3.17Å; D314-R316 IonicContact OD2-CZ 3.63Å; D314-R316 IonicContact OD2-NE 2.7Å; D314-R316 PolarHBondContact OD2-NE 3.19Å; D314-R316 IonicContact OD2-NH2 3.65Å; D314-R316 PolarHBondContact OD2-NH2 3.36Å; R316-A320 HydrophobicContact CB-CB 4.27Å; R316-G330 PolarHBondContact NH2-O 2.79Å; R316-F344 CarbonylContact O-C 3.46Å; R316-F344 WeakPolarHBondContact O-CB 3.19Å; R316-M345 PolarHBondContact O-N 2.99Å; R316-G346 PolarHBondContact O-N 3.3Å; R316-C411 HydrophobicContact CG-CB 4.27Å; R316-S412 WeakPolarHBondContact CD-OG 3.48Å; R316-S412 PolarHBondContact NH1-OG 2.98Å
317	S	96.5	Very high	91.7	Very high	37 Å²	37	51.4 Å²	51.4	26%	0.259	28%	0.277	S	S	.	.			trans	-75.2	151	157.6	63.8	0	0	0	0	109.9	T319 A320 A321	S317-T319 PolarHBondContact O-N 3.04Å; S317-T319 PolarHBondContact OG-OG1 3.3Å; S317-A320 PolarHBondContact O-N 3.12Å; S317-A320 WeakPolarHBondContact OG-CB 3.44Å; S317-A320 PolarHBondContact OG-N 3Å; S317-A320 VanDerWaalsContact OG-N 3.15Å; S317-A321 PolarHBondContact O-N 3.14Å
318	Y	94.6	Very high	92.8	Very high	138 Å²	138	48 Å²	48	54%	0.541	26%	0.258	S	S	.	.	H	α-helix	trans	-51	-42.8	171.3	175.3	-101.3	0	0	0	112.1	A320 A321 V322 F344	Y318-A320 VanDerWaalsContact C-N 3.32Å; Y318-A320 PolarHBondContact O-N 3.23Å; Y318-A321 PolarHBondContact O-N 3.46Å; Y318-A321 VanDerWaalsContact O-N 3.16Å; Y318-V322 HydrophobicContact CD1-CG2 4.26Å; Y318-V322 HydrophobicContact CD2-CG2 4.4Å; Y318-V322 HydrophobicContact CE1-CG2 3.8Å; Y318-V322 HydrophobicContact CE2-CG2 3.97Å; Y318-V322 WeakPolarHBondContact O-CG2 3.49Å; Y318-V322 PolarHBondContact O-N 3.01Å; Y318-F344 HydrophobicContact CD2-CD2 4.21Å; Y318-F344 HydrophobicContact CD2-CE1 4.45Å; Y318-F344 AromaticContact CD2-CE2 3.77Å; Y318-F344 HydrophobicContact CD2-CE2 3.77Å; Y318-F344 AromaticContact CD2-CZ 3.9Å; Y318-F344 HydrophobicContact CD2-CZ 3.9Å
319	T	93.9	Very high	93.6	Very high	105 Å²	105	44.2 Å²	44.2	64%	0.644	24%	0.242	S	C	*	.	H	α-helix	trans	-59.4	-39	176.4	50.8	0	0	0	0	113	S317 A323	S317-T319 PolarHBondContact O-N 3.04Å; S317-T319 PolarHBondContact OG-OG1 3.3Å; T319-A323 WeakPolarHBondContact O-CB 3.42Å; T319-A323 PolarHBondContact O-N 3.17Å
320	A	93.7	Very high	93.6	Very high	32 Å²	32	40.1 Å²	40.1	26%	0.264	22%	0.224	S	C	.	.	H	α-helix	trans	-74.3	-34.9	176.1	0	0	0	0	0	112.1	R316 S317 Y318 A323 N324	R316-A320 HydrophobicContact CB-CB 4.27Å; S317-A320 PolarHBondContact O-N 3.12Å; S317-A320 WeakPolarHBondContact OG-CB 3.44Å; S317-A320 PolarHBondContact OG-N 3Å; S317-A320 VanDerWaalsContact OG-N 3.15Å; Y318-A320 VanDerWaalsContact C-N 3.32Å; Y318-A320 PolarHBondContact O-N 3.23Å; A320-A323 PolarHBondContact O-N 3.45Å; A320-N324 PolarHBondContact O-N 3Å; A320-N324 PolarHBondContact O-ND2 3.19Å
321	A	93.5	Very high	93.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-45.3	173.4	0	0	0	0	0	111.7	S317 Y318 A323 N324 R325 C331 F344	S317-A321 PolarHBondContact O-N 3.14Å; Y318-A321 PolarHBondContact O-N 3.46Å; Y318-A321 VanDerWaalsContact O-N 3.16Å; A321-A323 VanDerWaalsContact C-N 3.34Å; A321-A323 PolarHBondContact O-N 2.76Å; A321-N324 WeakPolarHBondContact O-CB 3.31Å; A321-N324 PolarHBondContact O-N 2.71Å; A321-N324 VanDerWaalsContact O-N 3.12Å; A321-R325 PolarHBondContact O-N 3.4Å; A321-C331 HydrophobicContact CB-CB 4.05Å; A321-F344 HydrophobicContact CB-CD1 4.29Å; A321-F344 HydrophobicContact CB-CE1 3.67Å
322	V	90.6	Very high	93.3	Very high	63 Å²	63	41.5 Å²	41.5	38%	0.382	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-39.4	172.8	174.1	0	0	0	0	111.7	Y318 N324 R325 A326	Y318-V322 HydrophobicContact CD1-CG2 4.26Å; Y318-V322 HydrophobicContact CD2-CG2 4.4Å; Y318-V322 HydrophobicContact CE1-CG2 3.8Å; Y318-V322 HydrophobicContact CE2-CG2 3.97Å; Y318-V322 WeakPolarHBondContact O-CG2 3.49Å; Y318-V322 PolarHBondContact O-N 3.01Å; V322-N324 VanDerWaalsContact C-N 3.31Å; V322-N324 PolarHBondContact O-N 3.08Å; V322-R325 WeakPolarHBondContact O-CB 3.42Å; V322-R325 PolarHBondContact O-N 3.22Å; V322-R325 VanDerWaalsContact O-N 3.15Å; V322-A326 PolarHBondContact O-N 3.49Å
323	A	90.8	Very high	92.9	Very high	55 Å²	55	43.7 Å²	43.7	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-30.5	174.1	0	0	0	0	0	113.2	T319 A320 A321	T319-A323 WeakPolarHBondContact O-CB 3.42Å; T319-A323 PolarHBondContact O-N 3.17Å; A320-A323 PolarHBondContact O-N 3.45Å; A321-A323 VanDerWaalsContact C-N 3.34Å; A321-A323 PolarHBondContact O-N 2.76Å
324	N	91.2	Very high	92.3	Very high	38 Å²	38	48 Å²	48	20%	0.203	27%	0.267	C	S	.	.	H	α-helix	trans	-72.4	-34.2	170.5	-81.9	-105.4	0	0	0	111.6	Q241 A320 A321 V322 A326 K327 G328 G329 S412	Q241-N324 VanDerWaalsContact OE1-CB 3.31Å; A320-N324 PolarHBondContact O-N 3Å; A320-N324 PolarHBondContact O-ND2 3.19Å; A321-N324 WeakPolarHBondContact O-CB 3.31Å; A321-N324 PolarHBondContact O-N 2.71Å; A321-N324 VanDerWaalsContact O-N 3.12Å; V322-N324 VanDerWaalsContact C-N 3.31Å; V322-N324 PolarHBondContact O-N 3.08Å; N324-A326 VanDerWaalsContact C-N 3.28Å; N324-A326 PolarHBondContact O-N 3.46Å; N324-K327 CarbonylContact O-C 3.57Å; N324-K327 WeakPolarHBondContact O-CA 3.37Å; N324-K327 WeakPolarHBondContact O-CB 3.44Å; N324-K327 PolarHBondContact O-N 3.2Å; N324-G328 PolarHBondContact O-N 2.93Å; N324-G329 WeakPolarHBondContact O-CA 3.44Å; N324-G329 PolarHBondContact O-N 2.85Å; N324-S412 VanDerWaalsContact CG-OG 3.3Å; N324-S412 PolarHBondContact ND2-OG 3.48Å; N324-S412 PolarHBondContact OD1-OG 3.23Å
325	R	90.3	Very high	91.8	Very high	99 Å²	99	55.1 Å²	55.1	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-57.8	-40.4	174.3	-168.5	176	169	178.8	-7.7	112.4	S245 W246 A321 V322 K327 G328 G329	S245-R325 CarbonylContact C-O 3.42Å; S245-R325 VanDerWaalsContact C-O 3.3Å; S245-R325 WeakPolarHBondContact CA-O 3.24Å; S245-R325 WeakPolarHBondContact O-CG 3.17Å; S245-R325 PolarHBondContact O-NE 3.02Å; W246-R325 PolarHBondContact N-O 2.85Å; W246-R325 PolarHBondContact O-NH2 3.39Å; A321-R325 PolarHBondContact O-N 3.4Å; V322-R325 WeakPolarHBondContact O-CB 3.42Å; V322-R325 PolarHBondContact O-N 3.22Å; V322-R325 VanDerWaalsContact O-N 3.15Å; R325-K327 PolarHBondContact O-N 3.43Å; R325-G328 PolarHBondContact O-N 2.68Å; R325-G329 WeakPolarHBondContact CA-O 3.41Å
326	A	86.3	Confident	91.3	Very high	60 Å²	60	59.2 Å²	59.2	50%	0.496	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-14	173.1	0	0	0	0	0	114.4	W246 V322 N324	W246-A326 HydrophobicContact CE3-CB 4.07Å; W246-A326 HydrophobicContact CZ3-CB 4.2Å; V322-A326 PolarHBondContact O-N 3.49Å; N324-A326 VanDerWaalsContact C-N 3.28Å; N324-A326 PolarHBondContact O-N 3.46Å
327	K	88.1	Confident	91.1	Very high	187 Å²	187	59.4 Å²	59.4	81%	0.813	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	8.9	175.9	-64	-171.5	175.7	-167.4	0	113.8	N324 R325	N324-K327 CarbonylContact O-C 3.57Å; N324-K327 WeakPolarHBondContact O-CA 3.37Å; N324-K327 WeakPolarHBondContact O-CB 3.44Å; N324-K327 PolarHBondContact O-N 3.2Å; R325-K327 PolarHBondContact O-N 3.43Å
328	G	86.4	Confident	90.6	Very high	21 Å²	21	61.1 Å²	61.1	22%	0.216	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.8	-21.5	-178.5	0	0	0	0	0	114.9	E243 S245 N324 R325	E243-G328 CarbonylContact C-O 3.58Å; E243-G328 WeakPolarHBondContact CA-O 3.37Å; E243-G328 WeakPolarHBondContact CB-O 3.33Å; S245-G328 WeakPolarHBondContact CA-O 3.22Å; S245-G328 PolarHBondContact N-O 3.06Å; N324-G328 PolarHBondContact O-N 2.93Å; R325-G328 PolarHBondContact O-N 2.68Å
329	G	92.1	Very high	90.4	Very high	4 Å²	4	58.8 Å²	58.8	4%	0.041	33%	0.325	C	S	.	.			trans	-75.6	-145.4	175.7	0	0	0	0	0	113.4	P242 I244 S245 N324 R325	P242-G329 CarbonylContact O-C 3.49Å; I244-G329 PolarHBondContact N-O 3.12Å; S245-G329 PolarHBondContact N-O 2.94Å; N324-G329 WeakPolarHBondContact O-CA 3.44Å; N324-G329 PolarHBondContact O-N 2.85Å; R325-G329 WeakPolarHBondContact CA-O 3.41Å
330	G	91.4	Very high	90.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.			trans	157.4	-161.6	177.1	0	0	0	0	0	113.9	P242 R316	P242-G330 PolarHBondContact O-N 2.9Å; P242-G330 VanDerWaalsContact O-N 3.09Å; R316-G330 PolarHBondContact NH2-O 2.79Å
331	C	93.5	Very high	90.5	Very high	22 Å²	22	55.5 Å²	55.5	15%	0.149	30%	0.297	C	S	.	.			trans	-149.9	148.4	171.2	55.8	0	0	0	0	108.1	I244 A321 F344	I244-C331 WeakPolarHBondContact CD1-O 3.29Å; A321-C331 HydrophobicContact CB-CB 4.05Å; C331-F344 HydrophobicContact CB-CE1 4.01Å; C331-F344 HydrophobicContact CB-CZ 4.03Å
332	E	94.2	Very high	90.6	Very high	9 Å²	9	56.7 Å²	56.7	4%	0.042	30%	0.304	C	S	.	.			trans	-55	149.6	-177.4	-70.8	87	144.3	0	0	112.3	R217 P242 I312 Y337 V342 H410	R217-E332 IonicContact CZ-OE1 2.75Å; R217-E332 IonicContact NH1-OE1 3.48Å; R217-E332 PolarHBondContact NH1-OE1 2.92Å; R217-E332 IonicContact NH2-OE1 2.72Å; R217-E332 PolarHBondContact NH2-OE1 3.42Å; P242-E332 VanDerWaalsContact CD-OE2 3.25Å; P242-E332 WeakPolarHBondContact CD-OE2 3.49Å; P242-E332 HydrophobicContact CG-CG 4.25Å; P242-E332 WeakPolarHBondContact CG-OE2 3.38Å; I312-E332 HydrophobicContact CD1-CB 3.77Å; I312-E332 HydrophobicContact CD1-CG 3.77Å; E332-Y337 HydrophobicContact CB-CD2 3.84Å; E332-Y337 HydrophobicContact CB-CE2 3.9Å; E332-Y337 HydrophobicContact CB-CG 4.24Å; E332-Y337 HydrophobicContact CG-CD1 4.27Å; E332-Y337 HydrophobicContact CG-CD2 4.06Å; E332-Y337 HydrophobicContact CG-CE1 3.93Å; E332-Y337 HydrophobicContact CG-CE2 3.72Å; E332-Y337 HydrophobicContact CG-CG 4.33Å; E332-V342 HydrophobicContact CB-CG2 4.24Å; E332-H410 IonicContact OE2-CE1 2.69Å; E332-H410 IonicContact OE2-NE2 3.19Å
333	C	89.4	Confident	90.9	Very high	46 Å²	46	56.3 Å²	56.3	31%	0.311	30%	0.299	S	S	.	.			trans	-116.6	127.4	-179.4	-172.3	0	0	0	0	109.9	E335 Y336 Y337	C333-E335 PolarHBondContact O-N 2.86Å; C333-E335 VanDerWaalsContact O-N 3.1Å; C333-Y336 HydrophobicContact CB-CD2 3.91Å; C333-Y336 HydrophobicContact CB-CE2 4.28Å; C333-Y336 HydrophobicContact CB-CG 4.49Å; C333-Y336 PolarHBondContact O-N 2.82Å; C333-Y337 WeakPolarHBondContact O-CD2 3.27Å; C333-Y337 PolarHBondContact O-N 3.44Å
334	E	86.3	Confident	91.3	Very high	90 Å²	90	56.6 Å²	56.6	42%	0.421	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21	-176	-58.5	-169.6	172.1	0	0	113.5	Y336 Y337 P338 E341 V342	E334-Y336 VanDerWaalsContact C-N 3.28Å; E334-Y336 PolarHBondContact O-N 2.95Å; E334-Y337 CarbonylContact O-C 3.18Å; E334-P338 VanDerWaalsContact O-CA 3.26Å; E334-P338 WeakPolarHBondContact O-CA 3.43Å; E334-E341 WeakPolarHBondContact OE1-CA 3.41Å; E334-V342 HydrophobicContact CG-CG2 4.12Å; E334-V342 PolarHBondContact OE1-N 2.94Å
335	E	87.5	Confident	91.6	Very high	151 Å²	151	56.3 Å²	56.3	71%	0.706	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.6	171.1	-62.3	179.5	173.5	0	0	113.3	C333	C333-E335 PolarHBondContact O-N 2.86Å; C333-E335 VanDerWaalsContact O-N 3.1Å
336	Y	88.9	Confident	91.9	Very high	86 Å²	86	53.7 Å²	53.7	34%	0.337	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-22.5	-177.5	-50	-30.7	0	0	0	112.2	R250 C333 E334 P338	R250-Y336 HydrophobicContact CG-CD2 3.82Å; R250-Y336 HydrophobicContact CG-CE2 4.07Å; R250-Y336 HydrophobicContact CG-CG 4.39Å; R250-Y336 VanDerWaalsContact NH1-CD1 3.32Å; C333-Y336 HydrophobicContact CB-CD2 3.91Å; C333-Y336 HydrophobicContact CB-CE2 4.28Å; C333-Y336 HydrophobicContact CB-CG 4.49Å; C333-Y336 PolarHBondContact O-N 2.82Å; E334-Y336 VanDerWaalsContact C-N 3.28Å; E334-Y336 PolarHBondContact O-N 2.95Å; Y336-P338 WeakPolarHBondContact O-CD 3.48Å
337	Y	93.1	Very high	92.4	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.016	27%	0.271	C	S	.	.	S	Bend	trans	-114.5	63.4	173	-61	-102.5	0	0	0	109.3	D254 E255 V258 E332 C333 E334 N339 C340	D254-Y337 WeakPolarHBondContact OD2-CE1 3.47Å; D254-Y337 PolarHBondContact OD2-OH 3.29Å; E255-Y337 HydrophobicContact CB-CE1 4.45Å; E255-Y337 HydrophobicContact CG-CD1 4.39Å; E255-Y337 HydrophobicContact CG-CE1 3.97Å; E255-Y337 HydrophobicContact CG-CE2 4.11Å; V258-Y337 HydrophobicContact CB-CD1 4.34Å; V258-Y337 HydrophobicContact CB-CE1 4.36Å; V258-Y337 HydrophobicContact CG1-CD1 4.33Å; V258-Y337 HydrophobicContact CG2-CE1 4.21Å; E332-Y337 HydrophobicContact CB-CD2 3.84Å; E332-Y337 HydrophobicContact CB-CE2 3.9Å; E332-Y337 HydrophobicContact CB-CG 4.24Å; E332-Y337 HydrophobicContact CG-CD1 4.27Å; E332-Y337 HydrophobicContact CG-CD2 4.06Å; E332-Y337 HydrophobicContact CG-CE1 3.93Å; E332-Y337 HydrophobicContact CG-CE2 3.72Å; E332-Y337 HydrophobicContact CG-CG 4.33Å; C333-Y337 WeakPolarHBondContact O-CD2 3.27Å; C333-Y337 PolarHBondContact O-N 3.44Å; E334-Y337 CarbonylContact O-C 3.18Å; Y337-N339 PolarHBondContact O-N 3.43Å; Y337-N339 VanDerWaalsContact O-N 3.15Å; Y337-C340 WeakPolarHBondContact O-CB 3.17Å; Y337-C340 PolarHBondContact O-N 3.16Å
338	P	87.3	Confident	92.8	Very high	74 Å²	74	43.8 Å²	43.8	48%	0.481	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.4	-168.8	25.4	-36.2	0	0	0	113.8	K309 E334 Y336 C340	K309-P338 WeakPolarHBondContact CE-O 3.35Å; K309-P338 PolarHBondContact NZ-O 3.14Å; E334-P338 VanDerWaalsContact O-CA 3.26Å; E334-P338 WeakPolarHBondContact O-CA 3.43Å; Y336-P338 WeakPolarHBondContact O-CD 3.48Å; P338-C340 PolarHBondContact O-N 3.19Å
339	N	90.4	Very high	93.3	Very high	88 Å²	88	46.3 Å²	46.3	47%	0.471	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	13.8	175.5	-61.5	-34.6	0	0	0	113.1	K309 L310 Y337	K309-N339 CarbonylContact C-O 3.11Å; K309-N339 WeakPolarHBondContact CA-O 3.5Å; K309-N339 WeakPolarHBondContact CB-O 3.41Å; L310-N339 PolarHBondContact N-O 2.81Å; Y337-N339 PolarHBondContact O-N 3.43Å; Y337-N339 VanDerWaalsContact O-N 3.15Å
340	C	94.6	Very high	93.5	Very high	1 Å²	1	47 Å²	47	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	165.3	178	-58.7	0	0	0	0	112	K309 L310 I312 Y337 P338	K309-C340 WeakPolarHBondContact CD-O 3.43Å; K309-C340 PolarHBondContact NZ-O 3.16Å; L310-C340 CarbonylContact O-C 3.54Å; L310-C340 VanDerWaalsContact O-CA 3.23Å; L310-C340 WeakPolarHBondContact O-CA 3.46Å; I312-C340 HydrophobicContact CD1-CB 3.8Å; I312-C340 HydrophobicContact CG1-CB 4.06Å; Y337-C340 WeakPolarHBondContact O-CB 3.17Å; Y337-C340 PolarHBondContact O-N 3.16Å; P338-C340 PolarHBondContact O-N 3.19Å
341	E	95.3	Very high	93.7	Very high	68 Å²	68	50.5 Å²	50.5	32%	0.318	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.2	168.3	-176.6	-168.3	155.7	0	0	107.5	L310 I312 E334 R405	L310-E341 PolarHBondContact O-N 2.88Å; I312-E341 PolarHBondContact N-O 3.33Å; E334-E341 WeakPolarHBondContact OE1-CA 3.41Å; E341-R405 VanDerWaalsContact CB-NH2 3.33Å; E341-R405 IonicContact OE2-CZ 3.72Å; E341-R405 IonicContact OE2-NH1 2.74Å; E341-R405 PolarHBondContact OE2-NH1 3.45Å; E341-R405 IonicContact OE2-NH2 2.92Å; E341-R405 PolarHBondContact OE2-NH2 3.32Å
342	V	95.6	Very high	93.9	Very high	24 Å²	24	51.2 Å²	51.2	15%	0.145	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.1	-175.5	-171	0	0	0	0	112.1	I312 E332 E334 F344	I312-V342 HydrophobicContact CB-CG2 4.28Å; I312-V342 HydrophobicContact CD1-CG2 4.44Å; I312-V342 HydrophobicContact CG2-CG1 4.46Å; I312-V342 WeakPolarHBondContact O-CA 3.3Å; E332-V342 HydrophobicContact CB-CG2 4.24Å; E334-V342 HydrophobicContact CG-CG2 4.12Å; E334-V342 PolarHBondContact OE1-N 2.94Å; V342-F344 HydrophobicContact CG1-CE1 4.45Å; V342-F344 HydrophobicContact CG1-CE2 3.75Å; V342-F344 HydrophobicContact CG1-CZ 3.68Å
343	M	97	Very high	94.1	Very high	56 Å²	56	51.2 Å²	51.2	28%	0.276	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.3	-178.4	-168.6	175.1	-66.8	0	0	112.3	L311 I312 D314 M345 L395	L311-M343 HydrophobicContact CD1-CB 4.06Å; L311-M343 HydrophobicContact CD1-CE 4.34Å; I312-M343 PolarHBondContact O-N 3.32Å; D314-M343 PolarHBondContact N-O 2.85Å; M343-M345 HydrophobicContact CG-SD 4.39Å; M343-M345 HydrophobicContact SD-SD 4.33Å; M343-L395 HydrophobicContact CE-CD1 4.4Å; M343-L395 HydrophobicContact CE-CD2 4.45Å; M343-L395 HydrophobicContact SD-CD1 3.45Å; M343-L395 WeakPolarHBondContact SD-CD1 3.47Å; M343-L395 HydrophobicContact SD-CD2 3.81Å; M343-L395 HydrophobicContact SD-CG 4.3Å
344	F	97.8	Very high	94.5	Very high	61 Å²	61	51.3 Å²	51.3	27%	0.268	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.6	-176	-65.5	-83.2	0	0	0	111.6	D314 R316 Y318 A321 C331 V342	D314-F344 HydrophobicContact CB-CD1 3.75Å; D314-F344 HydrophobicContact CB-CE1 3.87Å; D314-F344 WeakPolarHBondContact O-CA 3.39Å; D314-F344 WeakPolarHBondContact OD2-CE1 3.49Å; R316-F344 CarbonylContact O-C 3.46Å; R316-F344 WeakPolarHBondContact O-CB 3.19Å; Y318-F344 HydrophobicContact CD2-CD2 4.21Å; Y318-F344 HydrophobicContact CD2-CE1 4.45Å; Y318-F344 AromaticContact CD2-CE2 3.77Å; Y318-F344 HydrophobicContact CD2-CE2 3.77Å; Y318-F344 AromaticContact CD2-CZ 3.9Å; Y318-F344 HydrophobicContact CD2-CZ 3.9Å; A321-F344 HydrophobicContact CB-CD1 4.29Å; A321-F344 HydrophobicContact CB-CE1 3.67Å; C331-F344 HydrophobicContact CB-CE1 4.01Å; C331-F344 HydrophobicContact CB-CZ 4.03Å; V342-F344 HydrophobicContact CG1-CE1 4.45Å; V342-F344 HydrophobicContact CG1-CE2 3.75Å; V342-F344 HydrophobicContact CG1-CZ 3.68Å
345	M	97.4	Very high	95	Very high	32 Å²	32	51.5 Å²	51.5	16%	0.158	28%	0.275	C	S	.	.			trans	-83.1	-11.6	-173.8	-61.3	-51.8	-48.2	0	0	115.4	L313 D314 R316 M343 M347 V388 A392	L313-M345 HydrophobicContact CD1-CG 4.12Å; L313-M345 HydrophobicContact CD1-SD 3.84Å; L313-M345 HydrophobicContact CD2-CG 3.69Å; L313-M345 HydrophobicContact CD2-SD 4.5Å; L313-M345 HydrophobicContact CG-CG 3.83Å; L313-M345 HydrophobicContact CG-SD 4.15Å; D314-M345 PolarHBondContact O-N 3.48Å; R316-M345 PolarHBondContact O-N 2.99Å; M343-M345 HydrophobicContact CG-SD 4.39Å; M343-M345 HydrophobicContact SD-SD 4.33Å; M345-M347 VanDerWaalsContact C-N 3.31Å; M345-M347 HydrophobicContact CB-CG 4.29Å; M345-M347 PolarHBondContact O-N 3.18Å; M345-V388 WeakPolarHBondContact O-CG1 3.48Å; M345-A392 HydrophobicContact CB-CB 4.39Å; M345-A392 HydrophobicContact CE-CB 3.94Å; M345-A392 HydrophobicContact CG-CB 3.92Å; M345-A392 HydrophobicContact SD-CB 4.39Å
346	G	96.6	Very high	95.5	Very high	44 Å²	44	44.6 Å²	44.6	45%	0.454	24%	0.243	S	C	.	.			trans	71.9	15.2	176.8	0	0	0	0	0	115.8	A315 R316 A348	A315-G346 PolarHBondContact O-N 2.86Å; R316-G346 PolarHBondContact O-N 3.3Å; G346-A348 PolarHBondContact O-N 2.91Å
347	M	98	Very high	95.9	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.069	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-67.6	131.2	-178.5	-62.8	176.8	69.1	0	0	112.4	A315 M345 V388 M389 A392 R417 I421	A315-M347 HydrophobicContact CB-SD 4.09Å; A315-M347 WeakPolarHBondContact O-CA 3.36Å; A315-M347 WeakPolarHBondContact O-CB 3.49Å; A315-M347 PolarHBondContact O-N 2.77Å; M345-M347 VanDerWaalsContact C-N 3.31Å; M345-M347 HydrophobicContact CB-CG 4.29Å; M345-M347 PolarHBondContact O-N 3.18Å; M347-V388 HydrophobicContact CG-CG1 3.71Å; M347-M389 HydrophobicContact CE-CB 3.88Å; M347-M389 HydrophobicContact CE-CE 4.27Å; M347-M389 HydrophobicContact CE-CG 3.84Å; M347-A392 HydrophobicContact SD-CB 4.38Å; M347-R417 HydrophobicContact CB-CG 4.24Å; M347-R417 HydrophobicContact CE-CB 4.39Å; M347-R417 HydrophobicContact CE-CG 4.14Å; M347-R417 PolarHBondContact O-NH1 3Å; M347-R417 HydrophobicContact SD-CB 4.5Å; M347-I421 HydrophobicContact SD-CD1 3.74Å; M347-I421 HydrophobicContact SD-CG1 3.91Å
348	A	96.7	Very high	96	Very high	25 Å²	25	44.3 Å²	44.3	21%	0.207	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-51.6	154.1	177	0	0	0	0	0	113.7	G346 A352 I353 R417	G346-A348 PolarHBondContact O-N 2.91Å; A348-A352 HydrophobicContact CB-CB 3.91Å; A348-I353 HydrophobicContact CB-CD1 3.73Å; A348-I353 HydrophobicContact CB-CG1 4.1Å; A348-R417 WeakPolarHBondContact O-CD 3.44Å; A348-R417 PolarHBondContact O-NH1 2.88Å
349	N	96.6	Very high	96.4	Very high	74 Å²	74	42.5 Å²	42.5	40%	0.396	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-85	173	173.5	68.8	5.3	0	0	0	111.5	H351 A352 I353	N349-H351 VanDerWaalsContact C-N 3.26Å; N349-H351 PolarHBondContact O-N 2.9Å; N349-H351 PolarHBondContact OD1-N 2.91Å; N349-A352 PolarHBondContact O-N 3.38Å; N349-A352 WeakPolarHBondContact OD1-CB 3.46Å; N349-A352 PolarHBondContact OD1-N 3.47Å; N349-I353 WeakPolarHBondContact O-CG1 3.47Å; N349-I353 PolarHBondContact O-N 2.9Å
350	I	96.8	Very high	96.7	Very high	18 Å²	18	38.3 Å²	38.3	9%	0.092	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-36	-176.8	61.9	173.7	0	0	0	113.3	I353 R354 D416 E469 C471 V473	I350-I353 PolarHBondContact O-N 3.23Å; I350-R354 WeakPolarHBondContact O-CB 3.28Å; I350-R354 PolarHBondContact O-N 3.24Å; I350-D416 HydrophobicContact CG2-CB 4.47Å; I350-E469 WeakPolarHBondContact CD1-OE1 3.44Å; I350-C471 HydrophobicContact CB-CB 3.86Å; I350-C471 HydrophobicContact CG2-CB 4.34Å; I350-C471 PolarHBondContact O-SG 3.28Å; I350-V473 HydrophobicContact CG2-CG2 4.06Å
351	H	95.8	Very high	96.6	Very high	74 Å²	74	39 Å²	39	34%	0.343	22%	0.217	S	C	.	.	H	α-helix	trans	-69.7	-41.8	179.5	-43.6	-52.5	0	0	0	111.4	N349 R354 N355 S468	N349-H351 VanDerWaalsContact C-N 3.26Å; N349-H351 PolarHBondContact O-N 2.9Å; N349-H351 PolarHBondContact OD1-N 2.91Å; H351-R354 PolarHBondContact ND1-NH2 3.44Å; H351-R354 PolarHBondContact O-N 2.86Å; H351-N355 WeakPolarHBondContact O-CB 3.4Å; H351-N355 PolarHBondContact O-N 3.4Å; H351-N355 PolarHBondContact O-OD1 2.73Å; H351-N355 VanDerWaalsContact O-OD1 3.05Å; H351-S468 PolarHBondContact ND1-O 3.48Å
352	A	97.2	Very high	96.4	Very high	37 Å²	37	38 Å²	38	31%	0.306	22%	0.219	S	C	.	.	H	α-helix	trans	-65.9	-38.2	175.3	0	0	0	0	0	112.3	A348 N349 N355 S356	A348-A352 HydrophobicContact CB-CB 3.91Å; N349-A352 PolarHBondContact O-N 3.38Å; N349-A352 WeakPolarHBondContact OD1-CB 3.46Å; N349-A352 PolarHBondContact OD1-N 3.47Å; A352-N355 PolarHBondContact O-N 3.35Å; A352-S356 WeakPolarHBondContact O-CB 3.5Å; A352-S356 PolarHBondContact O-N 2.91Å
353	I	98.1	Very high	96.3	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-41.2	173.4	-64.2	-52.1	0	0	0	111.7	A348 N349 I350 S356 F357 W382 H385 P472	A348-I353 HydrophobicContact CB-CD1 3.73Å; A348-I353 HydrophobicContact CB-CG1 4.1Å; N349-I353 WeakPolarHBondContact O-CG1 3.47Å; N349-I353 PolarHBondContact O-N 2.9Å; I350-I353 PolarHBondContact O-N 3.23Å; I353-S356 PolarHBondContact O-N 3.03Å; I353-F357 WeakPolarHBondContact O-CB 3.39Å; I353-F357 PolarHBondContact O-N 2.96Å; I353-W382 HydrophobicContact CG2-CZ3 4.08Å; I353-H385 HydrophobicContact CD1-CB 3.87Å; I353-P472 HydrophobicContact CG2-CG 4.3Å
354	R	96.7	Very high	95.9	Very high	49 Å²	49	35.8 Å²	35.8	19%	0.185	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-50	171.4	172	172.1	61.1	-126.4	7.6	111.4	I350 H351 S356 F357 Q358 S468 Q470	I350-R354 WeakPolarHBondContact O-CB 3.28Å; I350-R354 PolarHBondContact O-N 3.24Å; H351-R354 PolarHBondContact ND1-NH2 3.44Å; H351-R354 PolarHBondContact O-N 2.86Å; R354-S356 VanDerWaalsContact C-N 3.33Å; R354-S356 PolarHBondContact O-N 3.43Å; R354-F357 PolarHBondContact O-N 2.97Å; R354-F357 VanDerWaalsContact O-N 3.16Å; R354-Q358 HydrophobicContact CG-CG 4.25Å; R354-Q358 WeakPolarHBondContact O-CG 3.24Å; R354-Q358 PolarHBondContact O-N 3.21Å; R354-S468 VanDerWaalsContact NH1-C 3.34Å; R354-S468 PolarHBondContact NH1-O 3.21Å; R354-S468 PolarHBondContact NH2-O 3.48Å; R354-Q470 PolarHBondContact NH1-O 3.1Å
355	N	96.9	Very high	95.3	Very high	93 Å²	93	34.3 Å²	34.3	50%	0.497	21%	0.207	S	C	.	.	H	α-helix	trans	-63.5	-40	-177.5	-65.6	6.3	0	0	0	111.4	H351 A352 Q358 A359	H351-N355 WeakPolarHBondContact O-CB 3.4Å; H351-N355 PolarHBondContact O-N 3.4Å; H351-N355 PolarHBondContact O-OD1 2.73Å; H351-N355 VanDerWaalsContact O-OD1 3.05Å; A352-N355 PolarHBondContact O-N 3.35Å; N355-Q358 PolarHBondContact O-N 3.34Å; N355-A359 PolarHBondContact O-N 3.46Å
356	S	98.4	Very high	94.6	Very high	7 Å²	7	38.8 Å²	38.8	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-45.5	172.1	175.8	0	0	0	0	112	A352 I353 R354 A359 L360 T380 W382 H385	A352-S356 WeakPolarHBondContact O-CB 3.5Å; A352-S356 PolarHBondContact O-N 2.91Å; I353-S356 PolarHBondContact O-N 3.03Å; R354-S356 VanDerWaalsContact C-N 3.33Å; R354-S356 PolarHBondContact O-N 3.43Å; S356-A359 PolarHBondContact O-N 3.06Å; S356-L360 PolarHBondContact O-N 3.07Å; S356-T380 WeakPolarHBondContact CA-O 3.28Å; S356-T380 VanDerWaalsContact CB-O 3.28Å; S356-T380 WeakPolarHBondContact CB-O 3.26Å; S356-T380 PolarHBondContact OG-O 2.86Å; S356-W382 WeakPolarHBondContact OG-CA 3.43Å; S356-W382 PolarHBondContact OG-N 3.24Å; S356-H385 PolarHBondContact OG-CD2 3.35Å
357	F	97.5	Very high	93.3	Very high	5 Å²	5	43 Å²	43	2%	0.022	24%	0.238	C	C	.	.	H	α-helix	trans	-70	-35	178.8	-169	-112.6	0	0	0	113.4	K96 I353 R354 L360 R361 W382 P472 L475 Y574	K96-F357 VanDerWaalsContact O-CE1 3.24Å; K96-F357 WeakPolarHBondContact O-CE1 3.49Å; I353-F357 WeakPolarHBondContact O-CB 3.39Å; I353-F357 PolarHBondContact O-N 2.96Å; R354-F357 PolarHBondContact O-N 2.97Å; R354-F357 VanDerWaalsContact O-N 3.16Å; F357-L360 HydrophobicContact CD2-CD2 4.18Å; F357-L360 HydrophobicContact CE2-CD2 4.35Å; F357-L360 PolarHBondContact O-N 3.47Å; F357-R361 WeakPolarHBondContact O-CB 3.43Å; F357-R361 PolarHBondContact O-N 3.48Å; F357-W382 HydrophobicContact CB-CE3 4.2Å; F357-W382 HydrophobicContact CB-CZ3 3.81Å; F357-W382 HydrophobicContact CD2-CD2 4.49Å; F357-W382 HydrophobicContact CD2-CE3 4.08Å; F357-W382 AromaticContact CD2-CH2 3.72Å; F357-W382 HydrophobicContact CD2-CH2 3.72Å; F357-W382 HydrophobicContact CD2-CZ2 4.15Å; F357-W382 AromaticContact CD2-CZ3 3.69Å; F357-W382 HydrophobicContact CD2-CZ3 3.69Å; F357-W382 HydrophobicContact CE2-CH2 4.34Å; F357-W382 HydrophobicContact CE2-CZ2 4.48Å; F357-W382 HydrophobicContact CG-CH2 4.45Å; F357-W382 HydrophobicContact CG-CZ3 4.15Å; F357-P472 HydrophobicContact CB-CG 3.83Å; F357-P472 HydrophobicContact CD1-CB 4.31Å; F357-P472 HydrophobicContact CD1-CG 3.81Å; F357-P472 HydrophobicContact CD2-CG 4.27Å; F357-P472 HydrophobicContact CE1-CB 4.43Å; F357-P472 HydrophobicContact CE1-CG 4.41Å; F357-P472 HydrophobicContact CG-CB 4.45Å; F357-P472 HydrophobicContact CG-CG 3.72Å; F357-L475 HydrophobicContact CE1-CD2 4.39Å; F357-L475 HydrophobicContact CE2-CD2 3.86Å; F357-L475 HydrophobicContact CZ-CD2 3.57Å; F357-Y574 HydrophobicContact CE2-CD1 4.24Å; F357-Y574 AromaticContact CE2-CE1 3.67Å; F357-Y574 HydrophobicContact CE2-CE1 3.67Å; F357-Y574 HydrophobicContact CZ-CE1 4.23Å
358	Q	95.4	Very high	91.8	Very high	78 Å²	78	45.5 Å²	45.5	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-65.6	-39.4	172.9	-74.1	174.6	-23.6	0	0	111.5	R354 N355 R361 A362	R354-Q358 HydrophobicContact CG-CG 4.25Å; R354-Q358 WeakPolarHBondContact O-CG 3.24Å; R354-Q358 PolarHBondContact O-N 3.21Å; N355-Q358 PolarHBondContact O-N 3.34Å; Q358-R361 PolarHBondContact O-N 3.32Å; Q358-A362 PolarHBondContact O-N 3.3Å
359	A	96.2	Very high	90.8	Very high	37 Å²	37	48.4 Å²	48.4	31%	0.306	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-44.2	171.4	0	0	0	0	0	111.8	N355 S356 R361 A362 V363 T380	N355-A359 PolarHBondContact O-N 3.46Å; S356-A359 PolarHBondContact O-N 3.06Å; A359-R361 VanDerWaalsContact C-N 3.34Å; A359-R361 PolarHBondContact O-N 3.02Å; A359-A362 WeakPolarHBondContact O-CB 3.31Å; A359-A362 PolarHBondContact O-N 3.4Å; A359-V363 WeakPolarHBondContact O-CG2 3.25Å; A359-V363 PolarHBondContact O-N 3.17Å; A359-T380 HydrophobicContact CB-CG2 4.28Å
360	L	95.7	Very high	89.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-47.1	174.3	-176.9	68.8	0	0	0	111.7	S356 F357 A362 V363 C364 L377 T380 W382 L569 Y574	S356-L360 PolarHBondContact O-N 3.07Å; F357-L360 HydrophobicContact CD2-CD2 4.18Å; F357-L360 HydrophobicContact CE2-CD2 4.35Å; F357-L360 PolarHBondContact O-N 3.47Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 3.25Å; L360-V363 PolarHBondContact O-N 2.92Å; L360-C364 WeakPolarHBondContact O-CB 3.43Å; L360-C364 PolarHBondContact O-N 3.35Å; L360-C364 PolarHBondContact O-SG 2.92Å; L360-C364 VanDerWaalsContact O-SG 3.32Å; L360-L377 HydrophobicContact CD1-CD1 3.52Å; L360-T380 HydrophobicContact CB-CG2 4.22Å; L360-T380 HydrophobicContact CD1-CG2 4.24Å; L360-W382 HydrophobicContact CD1-CB 4.46Å; L360-W382 HydrophobicContact CD2-CB 4.21Å; L360-W382 HydrophobicContact CD2-CD2 4.02Å; L360-W382 HydrophobicContact CD2-CG 3.73Å; L360-L569 HydrophobicContact CD1-CD1 3.84Å; L360-L569 HydrophobicContact CD2-CD1 4.32Å; L360-Y574 HydrophobicContact CD2-CD2 4.14Å; L360-Y574 HydrophobicContact CD2-CE2 4.22Å; L360-Y574 HydrophobicContact CD2-CG 4.31Å
361	R	93.3	Very high	88.9	Confident	16 Å²	16	52.9 Å²	52.9	6%	0.06	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-43.4	176.6	-172.2	-173.4	-55.4	152.5	-8.7	112.4	E81 C95 S98 V100 F357 Q358 A359 V363 C364 S365	E81-R361 IonicContact OE1-CZ 3.92Å; E81-R361 IonicContact OE1-NH1 3.37Å; E81-R361 PolarHBondContact OE1-NH1 3.37Å; E81-R361 IonicContact OE1-NH2 2.66Å; E81-R361 IonicContact OE2-CZ 2.73Å; E81-R361 IonicContact OE2-NH1 2.84Å; E81-R361 PolarHBondContact OE2-NH1 3.4Å; E81-R361 IonicContact OE2-NH2 3.81Å; E81-R361 PolarHBondContact OE2-NH2 3.36Å; C95-R361 PolarHBondContact O-NE 3.47Å; C95-R361 PolarHBondContact O-NH2 2.64Å; S98-R361 VanDerWaalsContact OG-CA 3.31Å; S98-R361 WeakPolarHBondContact OG-CA 3.46Å; S98-R361 WeakPolarHBondContact OG-CB 3.45Å; V100-R361 HydrophobicContact CG2-CG 3.99Å; F357-R361 WeakPolarHBondContact O-CB 3.43Å; F357-R361 PolarHBondContact O-N 3.48Å; Q358-R361 PolarHBondContact O-N 3.32Å; A359-R361 VanDerWaalsContact C-N 3.34Å; A359-R361 PolarHBondContact O-N 3.02Å; R361-V363 VanDerWaalsContact C-N 3.33Å; R361-V363 PolarHBondContact O-N 3.5Å; R361-C364 PolarHBondContact O-N 2.9Å; R361-S365 VanDerWaalsContact O-CB 3.25Å; R361-S365 WeakPolarHBondContact O-CB 3.38Å; R361-S365 PolarHBondContact O-N 3.05Å; R361-S365 PolarHBondContact O-OG 3.24Å
362	A	91.6	Very high	88.5	Confident	45 Å²	45	53.9 Å²	53.9	37%	0.372	32%	0.323	S	S	.	.	H	α-helix	trans	-59.2	-45.5	176.9	0	0	0	0	0	111.2	Q358 A359 L360 S365 Q366	Q358-A362 PolarHBondContact O-N 3.3Å; A359-A362 WeakPolarHBondContact O-CB 3.31Å; A359-A362 PolarHBondContact O-N 3.4Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 3.25Å; A362-S365 PolarHBondContact O-OG 3.24Å; A362-Q366 PolarHBondContact O-NE2 2.87Å
363	V	91.4	Very high	88.1	Confident	19 Å²	19	54.6 Å²	54.6	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-51.1	176.2	172.7	0	0	0	0	111.5	A359 L360 R361 S365 Q366 W373 A376 T380	A359-V363 WeakPolarHBondContact O-CG2 3.25Å; A359-V363 PolarHBondContact O-N 3.17Å; L360-V363 PolarHBondContact O-N 2.92Å; R361-V363 VanDerWaalsContact C-N 3.33Å; R361-V363 PolarHBondContact O-N 3.5Å; V363-S365 PolarHBondContact O-N 3.22Å; V363-Q366 PolarHBondContact O-N 3.08Å; V363-W373 HydrophobicContact CG1-CE3 3.93Å; V363-W373 HydrophobicContact CG1-CH2 3.98Å; V363-W373 HydrophobicContact CG1-CZ3 3.47Å; V363-W373 VanDerWaalsContact CG1-CZ3 3.47Å; V363-A376 HydrophobicContact CG1-CB 4.11Å; V363-A376 HydrophobicContact CG2-CB 4.09Å; V363-T380 HydrophobicContact CG2-CG2 4.02Å
364	C	89.4	Confident	87.8	Confident	15 Å²	15	60.5 Å²	60.5	10%	0.101	35%	0.349	C	S	.	.	H	α-helix	trans	-66.4	-20.5	-179.1	-66.6	0	0	0	0	114.4	L360 R361 L575	L360-C364 WeakPolarHBondContact O-CB 3.43Å; L360-C364 PolarHBondContact O-N 3.35Å; L360-C364 PolarHBondContact O-SG 2.92Å; L360-C364 VanDerWaalsContact O-SG 3.32Å; R361-C364 PolarHBondContact O-N 2.9Å; C364-L575 HydrophobicContact CB-CD2 3.67Å; C364-L575 HydrophobicContact CB-CG 4.4Å; C364-L575 WeakPolarHBondContact O-CD2 3.46Å
365	S	85.9	Confident	87.6	Confident	31 Å²	31	61.9 Å²	61.9	22%	0.217	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.2	178.4	76.4	0	0	0	0	114.7	R102 R361 A362 V363	R102-S365 PolarHBondContact NH1-O 2.94Å; R102-S365 PolarHBondContact NH2-O 2.93Å; R361-S365 VanDerWaalsContact O-CB 3.25Å; R361-S365 WeakPolarHBondContact O-CB 3.38Å; R361-S365 PolarHBondContact O-N 3.05Å; R361-S365 PolarHBondContact O-OG 3.24Å; A362-S365 PolarHBondContact O-OG 3.24Å; V363-S365 PolarHBondContact O-N 3.22Å
366	Q	81.4	Confident	87.3	Confident	125 Å²	125	58.9 Å²	58.9	58%	0.584	35%	0.354	S	S	*	.	S	Bend	trans	-96.7	157.8	-179.9	-72.1	170.9	83.2	0	0	110.7	A362 V363 P368	A362-Q366 PolarHBondContact O-NE2 2.87Å; V363-Q366 PolarHBondContact O-N 3.08Å; Q366-P368 WeakPolarHBondContact O-CD 3.45Å
367	I	69.3	Low	87.1	Confident	132 Å²	132	59.3 Å²	59.3	68%	0.677	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-66.3	122.8	167.4	-61.4	173.8	0	0	0	106.4	D369	I367-D369 PolarHBondContact O-N 3.38Å
368	P	68.2	Low	86.9	Confident	68 Å²	68	66.3 Å²	66.3	44%	0.442	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-62.4	121.8	-179.4	-24.4	35.5	0	0	0	111.3	Q366 P370 W373	Q366-P368 WeakPolarHBondContact O-CD 3.45Å; P368-P370 VanDerWaalsContact O-CD 3.29Å; P368-P370 WeakPolarHBondContact O-CD 3.47Å; P368-W373 HydrophobicContact CB-CD2 4.23Å; P368-W373 HydrophobicContact CB-CE3 3.73Å; P368-W373 HydrophobicContact CB-CZ3 4.26Å; P368-W373 HydrophobicContact CG-CE3 4.04Å; P368-W373 HydrophobicContact CG-CZ3 4.05Å
369	D	74.4	Confident	86.9	Confident	85 Å²	85	66.7 Å²	66.7	46%	0.455	40%	0.4	S	S	.	.			trans	-74.7	112.3	158.2	173.1	-4	0	0	0	107.5	I367 G371 N372 W373	I367-D369 PolarHBondContact O-N 3.38Å; D369-G371 PolarHBondContact O-N 3.41Å; D369-G371 VanDerWaalsContact O-N 3.16Å; D369-G371 PolarHBondContact OD1-N 2.74Å; D369-N372 HydrophobicContact CB-CB 4.32Å; D369-N372 PolarHBondContact O-N 2.62Å; D369-N372 VanDerWaalsContact O-N 3.1Å; D369-N372 PolarHBondContact OD2-ND2 3.43Å; D369-W373 WeakPolarHBondContact O-CB 3.11Å; D369-W373 PolarHBondContact O-N 3.36Å
370	P	74.3	Confident	87	Confident	116 Å²	116	65 Å²	65	75%	0.753	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.8	-174.5	-23.2	35.2	0	0	0	113.5	P368	P368-P370 VanDerWaalsContact O-CD 3.29Å; P368-P370 WeakPolarHBondContact O-CD 3.47Å
371	G	80.1	Confident	87.1	Confident	71 Å²	71	70 Å²	70	73%	0.732	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-28	178.9	0	0	0	0	0	113.5	D369	D369-G371 PolarHBondContact O-N 3.41Å; D369-G371 VanDerWaalsContact O-N 3.16Å; D369-G371 PolarHBondContact OD1-N 2.74Å
372	N	87.9	Confident	87.3	Confident	95 Å²	95	69.2 Å²	69.2	51%	0.508	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-12.9	-174.8	-74.9	-60.7	0	0	0	114.2	D369 L374 S375 A376	D369-N372 HydrophobicContact CB-CB 4.32Å; D369-N372 PolarHBondContact O-N 2.62Å; D369-N372 VanDerWaalsContact O-N 3.1Å; D369-N372 PolarHBondContact OD2-ND2 3.43Å; N372-L374 PolarHBondContact O-N 2.89Å; N372-S375 PolarHBondContact O-N 3.41Å; N372-S375 VanDerWaalsContact O-N 3.14Å; N372-A376 WeakPolarHBondContact O-CB 3.5Å; N372-A376 PolarHBondContact O-N 2.92Å
373	W	88.5	Confident	87.6	Confident	51 Å²	51	68 Å²	68	19%	0.193	39%	0.389	C	S	.	.	H	α-helix	trans	-50	-47	-174.6	174.1	-105.9	0	0	0	114.4	V363 P368 D369 A376 L377 L569 L575	V363-W373 HydrophobicContact CG1-CE3 3.93Å; V363-W373 HydrophobicContact CG1-CH2 3.98Å; V363-W373 HydrophobicContact CG1-CZ3 3.47Å; V363-W373 VanDerWaalsContact CG1-CZ3 3.47Å; P368-W373 HydrophobicContact CB-CD2 4.23Å; P368-W373 HydrophobicContact CB-CE3 3.73Å; P368-W373 HydrophobicContact CB-CZ3 4.26Å; P368-W373 HydrophobicContact CG-CE3 4.04Å; P368-W373 HydrophobicContact CG-CZ3 4.05Å; D369-W373 WeakPolarHBondContact O-CB 3.11Å; D369-W373 PolarHBondContact O-N 3.36Å; W373-A376 PolarHBondContact O-N 2.92Å; W373-L377 VanDerWaalsContact O-CB 3.32Å; W373-L377 WeakPolarHBondContact O-CB 3.48Å; W373-L377 PolarHBondContact O-N 3.23Å; W373-L569 HydrophobicContact CH2-CD2 4.25Å; W373-L569 HydrophobicContact CZ2-CD2 3.73Å; W373-L575 HydrophobicContact CH2-CD1 3.96Å; W373-L575 HydrophobicContact CH2-CD2 4.39Å; W373-L575 HydrophobicContact CZ2-CD1 3.98Å
374	L	90.3	Very high	88	Confident	133 Å²	133	71.8 Å²	71.8	70%	0.696	41%	0.405	S	S	*	.	H	α-helix	trans	-67.5	-39.7	-177.9	-64.8	177.7	0	0	0	112.5	N372 L377 E378	N372-L374 PolarHBondContact O-N 2.89Å; L374-L377 PolarHBondContact O-N 3.11Å; L374-E378 WeakPolarHBondContact O-CB 3.45Å; L374-E378 PolarHBondContact O-N 3.23Å
375	S	92.3	Very high	88.4	Confident	77 Å²	77	72.8 Å²	72.8	54%	0.538	41%	0.408	S	S	.	.	H	α-helix	trans	-68.1	-41.7	175.7	179	0	0	0	0	111.4	N372 E378 S379	N372-S375 PolarHBondContact O-N 3.41Å; N372-S375 VanDerWaalsContact O-N 3.14Å; S375-E378 PolarHBondContact O-N 2.77Å; S375-S379 WeakPolarHBondContact O-CB 3.2Å; S375-S379 PolarHBondContact O-N 3.25Å
376	A	92.4	Very high	89	Confident	31 Å²	31	71.3 Å²	71.3	26%	0.256	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-47.3	173.4	0	0	0	0	0	111.3	V363 N372 W373 S379 T380	V363-A376 HydrophobicContact CG1-CB 4.11Å; V363-A376 HydrophobicContact CG2-CB 4.09Å; N372-A376 WeakPolarHBondContact O-CB 3.5Å; N372-A376 PolarHBondContact O-N 2.92Å; W373-A376 PolarHBondContact O-N 2.92Å; A376-S379 PolarHBondContact O-N 2.76Å; A376-S379 PolarHBondContact O-OG 2.84Å; A376-T380 WeakPolarHBondContact O-CG2 3.35Å
377	L	92.8	Very high	89.8	Confident	16 Å²	16	65.4 Å²	65.4	8%	0.084	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-41.6	176.6	179.7	59.3	0	0	0	112.4	L360 W373 L374 S379 T380 L383 L569	L360-L377 HydrophobicContact CD1-CD1 3.52Å; W373-L377 VanDerWaalsContact O-CB 3.32Å; W373-L377 WeakPolarHBondContact O-CB 3.48Å; W373-L377 PolarHBondContact O-N 3.23Å; L374-L377 PolarHBondContact O-N 3.11Å; L377-S379 VanDerWaalsContact C-N 3.33Å; L377-S379 PolarHBondContact O-N 3.44Å; L377-T380 WeakPolarHBondContact O-CB 3.42Å; L377-T380 WeakPolarHBondContact O-CG2 3.42Å; L377-T380 PolarHBondContact O-N 2.95Å; L377-T380 PolarHBondContact O-OG1 3.13Å; L377-L383 HydrophobicContact CD2-CD1 4.17Å; L377-L383 HydrophobicContact CG-CD1 4.47Å; L377-L569 HydrophobicContact CD1-CD1 4.24Å; L377-L569 HydrophobicContact CD2-CB 4.49Å
378	E	94.4	Very high	91.2	Very high	152 Å²	152	61 Å²	61	71%	0.71	35%	0.35	S	S	*	.	H	α-helix	trans	-61.2	-41.3	175.1	-179.6	167	-140.7	0	0	111.7	L374 S375 T380 R381	L374-E378 WeakPolarHBondContact O-CB 3.45Å; L374-E378 PolarHBondContact O-N 3.23Å; S375-E378 PolarHBondContact O-N 2.77Å; E378-T380 PolarHBondContact O-N 3.15Å; E378-T380 VanDerWaalsContact O-N 3.11Å; E378-R381 PolarHBondContact O-N 2.96Å
379	S	95.7	Very high	92.6	Very high	85 Å²	85	57.8 Å²	57.8	59%	0.594	33%	0.329	S	S	*	.	H	α-helix	trans	-59.4	-25.1	178.7	82.2	0	0	0	0	113.7	S375 A376 L377 R381	S375-S379 WeakPolarHBondContact O-CB 3.2Å; S375-S379 PolarHBondContact O-N 3.25Å; A376-S379 PolarHBondContact O-N 2.76Å; A376-S379 PolarHBondContact O-OG 2.84Å; L377-S379 VanDerWaalsContact C-N 3.33Å; L377-S379 PolarHBondContact O-N 3.44Å; S379-R381 PolarHBondContact O-N 2.99Å
380	T	97.1	Very high	93.8	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.8	174.9	76.2	0	0	0	0	113	S356 A359 L360 V363 A376 L377 E378 W382	S356-T380 WeakPolarHBondContact CA-O 3.28Å; S356-T380 VanDerWaalsContact CB-O 3.28Å; S356-T380 WeakPolarHBondContact CB-O 3.26Å; S356-T380 PolarHBondContact OG-O 2.86Å; A359-T380 HydrophobicContact CB-CG2 4.28Å; L360-T380 HydrophobicContact CB-CG2 4.22Å; L360-T380 HydrophobicContact CD1-CG2 4.24Å; V363-T380 HydrophobicContact CG2-CG2 4.02Å; A376-T380 WeakPolarHBondContact O-CG2 3.35Å; L377-T380 WeakPolarHBondContact O-CB 3.42Å; L377-T380 WeakPolarHBondContact O-CG2 3.42Å; L377-T380 PolarHBondContact O-N 2.95Å; L377-T380 PolarHBondContact O-OG1 3.13Å; E378-T380 PolarHBondContact O-N 3.15Å; E378-T380 VanDerWaalsContact O-N 3.11Å; T380-W382 PolarHBondContact O-N 2.89Å; T380-W382 VanDerWaalsContact O-N 3.09Å; T380-W382 PolarHBondContact OG1-N 3.11Å; T380-W382 VanDerWaalsContact OG1-N 3.1Å
381	R	97.9	Very high	95	Very high	103 Å²	103	52.4 Å²	52.4	39%	0.389	29%	0.29	S	S	.	.			trans	56.3	8.3	-168.6	-56.2	-176.1	-179.8	-180	-2	115.7	E378 S379 L383 Q384 H385	E378-R381 PolarHBondContact O-N 2.96Å; S379-R381 PolarHBondContact O-N 2.99Å; R381-L383 PolarHBondContact O-N 2.82Å; R381-Q384 HydrophobicContact CB-CB 4.37Å; R381-Q384 WeakPolarHBondContact O-CA 3.42Å; R381-Q384 VanDerWaalsContact O-CB 3.29Å; R381-Q384 WeakPolarHBondContact O-CB 3.19Å; R381-Q384 PolarHBondContact O-N 3.23Å; R381-H385 PolarHBondContact O-CD2 3Å; R381-H385 PolarHBondContact O-N 3.39Å
382	W	98.3	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-55.9	-174.7	-177.3	-104.5	0	0	0	112.4	I353 S356 F357 L360 T380 Q384 H385 L386 P472 Q476 D479 Y574	I353-W382 HydrophobicContact CG2-CZ3 4.08Å; S356-W382 WeakPolarHBondContact OG-CA 3.43Å; S356-W382 PolarHBondContact OG-N 3.24Å; F357-W382 HydrophobicContact CB-CE3 4.2Å; F357-W382 HydrophobicContact CB-CZ3 3.81Å; F357-W382 HydrophobicContact CD2-CD2 4.49Å; F357-W382 HydrophobicContact CD2-CE3 4.08Å; F357-W382 AromaticContact CD2-CH2 3.72Å; F357-W382 HydrophobicContact CD2-CH2 3.72Å; F357-W382 HydrophobicContact CD2-CZ2 4.15Å; F357-W382 AromaticContact CD2-CZ3 3.69Å; F357-W382 HydrophobicContact CD2-CZ3 3.69Å; F357-W382 HydrophobicContact CE2-CH2 4.34Å; F357-W382 HydrophobicContact CE2-CZ2 4.48Å; F357-W382 HydrophobicContact CG-CH2 4.45Å; F357-W382 HydrophobicContact CG-CZ3 4.15Å; L360-W382 HydrophobicContact CD1-CB 4.46Å; L360-W382 HydrophobicContact CD2-CB 4.21Å; L360-W382 HydrophobicContact CD2-CD2 4.02Å; L360-W382 HydrophobicContact CD2-CG 3.73Å; T380-W382 PolarHBondContact O-N 2.89Å; T380-W382 VanDerWaalsContact O-N 3.09Å; T380-W382 PolarHBondContact OG1-N 3.11Å; T380-W382 VanDerWaalsContact OG1-N 3.1Å; W382-Q384 PolarHBondContact O-N 3.4Å; W382-H385 WeakPolarHBondContact O-CB 3.48Å; W382-H385 PolarHBondContact O-N 3.29Å; W382-L386 HydrophobicContact CZ2-CD2 4.48Å; W382-L386 PolarHBondContact O-N 2.91Å; W382-L386 VanDerWaalsContact O-N 3.08Å; W382-P472 HydrophobicContact CH2-CG 4.34Å; W382-P472 HydrophobicContact CZ3-CG 4.43Å; W382-Q476 HydrophobicContact CH2-CB 3.72Å; W382-Q476 HydrophobicContact CH2-CG 3.76Å; W382-Q476 HydrophobicContact CZ2-CB 4.11Å; W382-Q476 HydrophobicContact CZ2-CG 4.02Å; W382-Q476 HydrophobicContact CZ3-CG 4.29Å; W382-D479 PolarHBondContact NE1-OD2 3.31Å; W382-Y574 WeakPolarHBondContact CZ2-OH 3.26Å; W382-Y574 AromaticContact NE1-CE2 3.94Å
383	L	98.3	Very high	96.4	Very high	20 Å²	20	44.5 Å²	44.5	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-27.2	176.9	-59	-178.8	0	0	0	112.6	L377 R381 L386 S387 T564 L567	L377-L383 HydrophobicContact CD2-CD1 4.17Å; L377-L383 HydrophobicContact CG-CD1 4.47Å; R381-L383 PolarHBondContact O-N 2.82Å; L383-L386 HydrophobicContact CD2-CD1 3.78Å; L383-S387 WeakPolarHBondContact O-CB 3.47Å; L383-S387 PolarHBondContact O-N 3.25Å; L383-T564 HydrophobicContact CB-CG2 3.67Å; L383-L567 HydrophobicContact CD2-CB 4.34Å
384	Q	98.2	Very high	96.8	Very high	98 Å²	98	43.4 Å²	43.4	46%	0.458	23%	0.229	S	C	.	.	H	α-helix	trans	-68.9	-38.5	173.9	-167.3	-175.5	24	0	0	111	R381 W382 S387 V388	R381-Q384 HydrophobicContact CB-CB 4.37Å; R381-Q384 WeakPolarHBondContact O-CA 3.42Å; R381-Q384 VanDerWaalsContact O-CB 3.29Å; R381-Q384 WeakPolarHBondContact O-CB 3.19Å; R381-Q384 PolarHBondContact O-N 3.23Å; W382-Q384 PolarHBondContact O-N 3.4Å; Q384-S387 WeakPolarHBondContact O-CB 3.49Å; Q384-S387 PolarHBondContact O-N 2.76Å; Q384-V388 WeakPolarHBondContact O-CG2 3.33Å; Q384-V388 PolarHBondContact O-N 3.28Å; Q384-V388 VanDerWaalsContact O-N 3.12Å
385	H	98.6	Very high	97.2	Very high	36 Å²	36	39.9 Å²	39.9	17%	0.167	21%	0.211	C	C	.	.	H	α-helix	trans	-68.9	-38	174.5	-62.5	-42.1	0	0	0	112.4	I353 S356 R381 W382 V388 M389	I353-H385 HydrophobicContact CD1-CB 3.87Å; S356-H385 PolarHBondContact OG-CD2 3.35Å; R381-H385 PolarHBondContact O-CD2 3Å; R381-H385 PolarHBondContact O-N 3.39Å; W382-H385 WeakPolarHBondContact O-CB 3.48Å; W382-H385 PolarHBondContact O-N 3.29Å; H385-V388 PolarHBondContact O-N 2.98Å; H385-M389 PolarHBondContact O-N 3.37Å; H385-M389 VanDerWaalsContact O-N 3.12Å
386	L	98.7	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-45.1	170	-53.8	-178.6	0	0	0	111.3	W382 L383 V388 M389 L390 Q476 D479 Q483 L567	W382-L386 HydrophobicContact CZ2-CD2 4.48Å; W382-L386 PolarHBondContact O-N 2.91Å; W382-L386 VanDerWaalsContact O-N 3.08Å; L383-L386 HydrophobicContact CD2-CD1 3.78Å; L386-V388 VanDerWaalsContact C-N 3.32Å; L386-V388 PolarHBondContact O-N 3.16Å; L386-M389 PolarHBondContact O-N 2.61Å; L386-M389 VanDerWaalsContact O-N 3.15Å; L386-L390 WeakPolarHBondContact O-CB 3.21Å; L386-L390 PolarHBondContact O-N 3.12Å; L386-Q476 HydrophobicContact CD2-CG 3.78Å; L386-Q476 WeakPolarHBondContact CD2-O 3.2Å; L386-D479 HydrophobicContact CD1-CB 4.33Å; L386-D479 VanDerWaalsContact CD1-CG 3.46Å; L386-D479 WeakPolarHBondContact CD1-OD2 3.41Å; L386-D479 HydrophobicContact CD2-CB 4.04Å; L386-Q483 HydrophobicContact CD1-CG 4.47Å; L386-L567 HydrophobicContact CB-CD1 3.83Å
387	S	98.6	Very high	97.8	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-55.4	-43.4	177.5	174.8	0	0	0	0	112.5	L383 Q384 K391 C562	L383-S387 WeakPolarHBondContact O-CB 3.47Å; L383-S387 PolarHBondContact O-N 3.25Å; Q384-S387 WeakPolarHBondContact O-CB 3.49Å; Q384-S387 PolarHBondContact O-N 2.76Å; S387-K391 WeakPolarHBondContact O-CB 3.1Å; S387-K391 WeakPolarHBondContact O-CD 3.36Å; S387-K391 WeakPolarHBondContact O-CG 3.48Å; S387-K391 PolarHBondContact O-N 3.43Å; S387-K391 WeakPolarHBondContact OG-CE 3.42Å; S387-K391 PolarHBondContact OG-NZ 2.94Å; S387-C562 WeakPolarHBondContact CB-O 3.48Å; S387-C562 PolarHBondContact OG-O 3.47Å
388	V	98.3	Very high	98	Very high	39 Å²	39	34.3 Å²	34.3	24%	0.236	17%	0.172	C	C	.	.	H	α-helix	trans	-70	-38.8	177.7	179.1	0	0	0	0	111.6	M345 M347 Q384 H385 L386 K391 A392	M345-V388 WeakPolarHBondContact O-CG1 3.48Å; M347-V388 HydrophobicContact CG-CG1 3.71Å; Q384-V388 WeakPolarHBondContact O-CG2 3.33Å; Q384-V388 PolarHBondContact O-N 3.28Å; Q384-V388 VanDerWaalsContact O-N 3.12Å; H385-V388 PolarHBondContact O-N 2.98Å; L386-V388 VanDerWaalsContact C-N 3.32Å; L386-V388 PolarHBondContact O-N 3.16Å; V388-K391 PolarHBondContact O-N 2.91Å; V388-A392 PolarHBondContact O-N 3.15Å
389	M	98.6	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-46.9	176.4	-169.5	-172.8	-51.4	0	0	112.1	M347 H385 L386 K391 A392 A393 Q420 L424 Q476 C480	M347-M389 HydrophobicContact CE-CB 3.88Å; M347-M389 HydrophobicContact CE-CE 4.27Å; M347-M389 HydrophobicContact CE-CG 3.84Å; H385-M389 PolarHBondContact O-N 3.37Å; H385-M389 VanDerWaalsContact O-N 3.12Å; L386-M389 PolarHBondContact O-N 2.61Å; L386-M389 VanDerWaalsContact O-N 3.15Å; M389-K391 VanDerWaalsContact C-N 3.34Å; M389-K391 PolarHBondContact O-N 3.41Å; M389-A392 PolarHBondContact O-N 2.99Å; M389-A393 PolarHBondContact O-N 2.98Å; M389-Q420 HydrophobicContact CE-CB 4.22Å; M389-Q420 HydrophobicContact CE-CG 4.06Å; M389-Q420 VanDerWaalsContact CE-NE2 3.34Å; M389-Q420 HydrophobicContact CG-CB 4.27Å; M389-Q420 HydrophobicContact SD-CB 3.79Å; M389-Q420 HydrophobicContact SD-CG 4.12Å; M389-L424 HydrophobicContact CG-CD2 4.05Å; M389-L424 HydrophobicContact SD-CD2 4.31Å; M389-Q476 HydrophobicContact CE-CB 4.28Å; M389-Q476 VanDerWaalsContact CE-CD 3.41Å; M389-Q476 HydrophobicContact CE-CG 3.62Å; M389-C480 HydrophobicContact SD-CB 4.22Å
390	L	98.8	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-40.6	176	-76.7	159.5	0	0	0	111.4	L386 A393 T394 L424 C480 Q483 L484 C562 L567	L386-L390 WeakPolarHBondContact O-CB 3.21Å; L386-L390 PolarHBondContact O-N 3.12Å; L390-A393 PolarHBondContact O-N 3.46Å; L390-T394 WeakPolarHBondContact O-CB 3.05Å; L390-T394 PolarHBondContact O-N 2.97Å; L390-T394 PolarHBondContact O-OG1 3.17Å; L390-L424 HydrophobicContact CD2-CD2 3.99Å; L390-L424 HydrophobicContact CG-CD2 4.35Å; L390-C480 HydrophobicContact CD2-CB 4.36Å; L390-C480 HydrophobicContact CG-CB 4.32Å; L390-Q483 HydrophobicContact CD1-CB 4.23Å; L390-Q483 HydrophobicContact CD1-CG 4.35Å; L390-L484 HydrophobicContact CD2-CD2 3.88Å; L390-L484 HydrophobicContact CD2-CG 4.31Å; L390-C562 HydrophobicContact CB-CB 3.99Å; L390-L567 HydrophobicContact CD1-CD1 4.06Å; L390-L567 HydrophobicContact CD1-CD2 3.76Å
391	K	98.6	Very high	98.1	Very high	89 Å²	89	26.2 Å²	26.2	39%	0.387	13%	0.126	S	C	.	.	H	α-helix	trans	-60.5	-45.7	172.6	-76.6	163.1	-176.6	158	0	112.4	S387 V388 M389 T394 L395 C562	S387-K391 WeakPolarHBondContact O-CB 3.1Å; S387-K391 WeakPolarHBondContact O-CD 3.36Å; S387-K391 WeakPolarHBondContact O-CG 3.48Å; S387-K391 PolarHBondContact O-N 3.43Å; S387-K391 WeakPolarHBondContact OG-CE 3.42Å; S387-K391 PolarHBondContact OG-NZ 2.94Å; V388-K391 PolarHBondContact O-N 2.91Å; M389-K391 VanDerWaalsContact C-N 3.34Å; M389-K391 PolarHBondContact O-N 3.41Å; K391-T394 PolarHBondContact O-N 3.38Å; K391-L395 WeakPolarHBondContact O-CB 3.38Å; K391-L395 PolarHBondContact O-N 3.13Å; K391-C562 WeakPolarHBondContact CE-O 3.35Å; K391-C562 HydrophobicContact CG-CB 3.67Å
392	A	98.7	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-47.7	178	0	0	0	0	0	111.8	M345 M347 V388 M389 T394 L395 V396 I421	M345-A392 HydrophobicContact CB-CB 4.39Å; M345-A392 HydrophobicContact CE-CB 3.94Å; M345-A392 HydrophobicContact CG-CB 3.92Å; M345-A392 HydrophobicContact SD-CB 4.39Å; M347-A392 HydrophobicContact SD-CB 4.38Å; V388-A392 PolarHBondContact O-N 3.15Å; M389-A392 PolarHBondContact O-N 2.99Å; A392-T394 PolarHBondContact O-N 3.41Å; A392-L395 PolarHBondContact O-N 2.84Å; A392-V396 WeakPolarHBondContact O-CG2 3.33Å; A392-V396 PolarHBondContact O-N 2.87Å; A392-V396 VanDerWaalsContact O-N 3.07Å; A392-I421 HydrophobicContact CB-CD1 4.08Å; A392-I421 HydrophobicContact CB-CG1 3.89Å; A392-I421 HydrophobicContact CB-CG2 4.33Å
393	A	98.8	Very high	97.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-38.8	176.6	0	0	0	0	0	112.9	M389 L390 L395 V396 C397 L424 A425 L428	M389-A393 PolarHBondContact O-N 2.98Å; L390-A393 PolarHBondContact O-N 3.46Å; A393-L395 VanDerWaalsContact C-N 3.31Å; A393-L395 PolarHBondContact O-N 3.33Å; A393-V396 PolarHBondContact O-N 3.22Å; A393-C397 VanDerWaalsContact O-CB 3.24Å; A393-C397 WeakPolarHBondContact O-CB 3.44Å; A393-C397 PolarHBondContact O-N 3.1Å; A393-L424 HydrophobicContact CB-CB 3.75Å; A393-L424 HydrophobicContact CB-CD2 3.71Å; A393-L424 HydrophobicContact CB-CG 3.64Å; A393-A425 HydrophobicContact CB-CB 4.36Å; A393-L428 HydrophobicContact CB-CD1 4.08Å
394	T	98.5	Very high	97.4	Very high	27 Å²	27	33.8 Å²	33.8	17%	0.166	16%	0.164	C	C	.	.	H	α-helix	trans	-66.1	-33.6	176.2	-53.1	0	0	0	0	111.7	L390 K391 A392 C397 G398 P560 C562	L390-T394 WeakPolarHBondContact O-CB 3.05Å; L390-T394 PolarHBondContact O-N 2.97Å; L390-T394 PolarHBondContact O-OG1 3.17Å; K391-T394 PolarHBondContact O-N 3.38Å; A392-T394 PolarHBondContact O-N 3.41Å; T394-C397 WeakPolarHBondContact O-CB 3.46Å; T394-C397 PolarHBondContact O-N 3.37Å; T394-G398 PolarHBondContact O-N 2.99Å; T394-P560 WeakPolarHBondContact OG1-CG 3.43Å; T394-C562 PolarHBondContact OG1-SG 3.29Å; T394-C562 VanDerWaalsContact OG1-SG 3.34Å
395	L	98.4	Very high	97.2	Very high	60 Å²	60	30.1 Å²	30.1	31%	0.314	15%	0.146	S	C	.	.	H	α-helix	trans	-71.1	-45	176.7	-161.9	153.7	0	0	0	111.6	L311 L313 M343 K391 A392 A393 C397 G398 A399	L311-L395 HydrophobicContact CD2-CD2 3.66Å; L313-L395 HydrophobicContact CD1-CD2 3.92Å; M343-L395 HydrophobicContact CE-CD1 4.4Å; M343-L395 HydrophobicContact CE-CD2 4.45Å; M343-L395 HydrophobicContact SD-CD1 3.45Å; M343-L395 WeakPolarHBondContact SD-CD1 3.47Å; M343-L395 HydrophobicContact SD-CD2 3.81Å; M343-L395 HydrophobicContact SD-CG 4.3Å; K391-L395 WeakPolarHBondContact O-CB 3.38Å; K391-L395 PolarHBondContact O-N 3.13Å; A392-L395 PolarHBondContact O-N 2.84Å; A393-L395 VanDerWaalsContact C-N 3.31Å; A393-L395 PolarHBondContact O-N 3.33Å; L395-C397 VanDerWaalsContact C-N 3.28Å; L395-C397 PolarHBondContact O-N 2.76Å; L395-G398 PolarHBondContact O-N 2.79Å; L395-A399 PolarHBondContact O-N 3.05Å
396	V	98.7	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58	-42.9	170.7	177.4	0	0	0	0	110.7	I236 L313 A392 A393 A399 V400 V407 V409 I421 A425	I236-V396 HydrophobicContact CD1-CG1 3.71Å; I236-V396 HydrophobicContact CG1-CG1 4Å; I236-V396 HydrophobicContact CG2-CG1 4.43Å; L313-V396 HydrophobicContact CD1-CG2 3.94Å; L313-V396 HydrophobicContact CD2-CG2 4.33Å; A392-V396 WeakPolarHBondContact O-CG2 3.33Å; A392-V396 PolarHBondContact O-N 2.87Å; A392-V396 VanDerWaalsContact O-N 3.07Å; A393-V396 PolarHBondContact O-N 3.22Å; V396-A399 PolarHBondContact O-N 2.86Å; V396-V400 HydrophobicContact CG1-CG2 4.44Å; V396-V400 VanDerWaalsContact O-CG2 3.31Å; V396-V400 WeakPolarHBondContact O-CG2 3.5Å; V396-V400 PolarHBondContact O-N 3.01Å; V396-V407 HydrophobicContact CG1-CB 4.42Å; V396-V407 HydrophobicContact CG1-CG1 4.25Å; V396-V407 HydrophobicContact CG1-CG2 4.41Å; V396-V407 HydrophobicContact CG2-CG1 4.19Å; V396-V409 HydrophobicContact CG2-CG2 4.06Å; V396-I421 HydrophobicContact CG2-CG2 3.76Å; V396-A425 HydrophobicContact CB-CB 3.98Å; V396-A425 HydrophobicContact CG1-CB 3.8Å
397	C	98.1	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-45.4	176.1	178.3	0	0	0	0	112.4	A393 T394 L395 V400 E401 L428 L429 V557	A393-C397 VanDerWaalsContact O-CB 3.24Å; A393-C397 WeakPolarHBondContact O-CB 3.44Å; A393-C397 PolarHBondContact O-N 3.1Å; T394-C397 WeakPolarHBondContact O-CB 3.46Å; T394-C397 PolarHBondContact O-N 3.37Å; L395-C397 VanDerWaalsContact C-N 3.28Å; L395-C397 PolarHBondContact O-N 2.76Å; C397-V400 PolarHBondContact O-N 2.92Å; C397-E401 WeakPolarHBondContact O-CB 3.11Å; C397-E401 PolarHBondContact O-N 3.17Å; C397-L428 HydrophobicContact CB-CB 4.32Å; C397-L428 HydrophobicContact CB-CD1 4.13Å; C397-L429 HydrophobicContact CB-CD2 4.36Å; C397-L429 HydrophobicContact CB-CG 4.29Å; C397-V557 WeakPolarHBondContact SG-CG1 3.29Å
398	G	97.4	Very high	97.1	Very high	6 Å²	6	28.4 Å²	28.4	6%	0.062	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-42.6	176.6	0	0	0	0	0	113.2	T394 L395 R402 E403	T394-G398 PolarHBondContact O-N 2.99Å; L395-G398 PolarHBondContact O-N 2.79Å; G398-R402 WeakPolarHBondContact O-CB 3.23Å; G398-R402 PolarHBondContact O-N 3.43Å; G398-R402 VanDerWaalsContact O-N 3.07Å; G398-E403 PolarHBondContact O-N 2.97Å
399	A	97.5	Very high	97.1	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.017	13%	0.126	C	C	.	.	I	π-helix	trans	-60.6	-46.6	175.1	0	0	0	0	0	111.7	L311 L395 V396 E403 G404 R405 V407	L311-A399 HydrophobicContact CD2-CB 4.15Å; L395-A399 PolarHBondContact O-N 3.05Å; V396-A399 PolarHBondContact O-N 2.86Å; A399-E403 CarbonylContact O-C 3.55Å; A399-E403 WeakPolarHBondContact O-CB 3.46Å; A399-E403 PolarHBondContact O-N 3.36Å; A399-G404 PolarHBondContact O-N 3.02Å; A399-G404 VanDerWaalsContact O-N 3.08Å; A399-R405 HydrophobicContact CB-CB 4.2Å; A399-R405 WeakPolarHBondContact O-CB 3.37Å; A399-R405 PolarHBondContact O-N 2.65Å; A399-V407 HydrophobicContact CB-CG2 3.73Å
400	V	96.8	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-73.7	-44.9	-176.5	172.4	0	0	0	0	112.9	Y227 H229 N232 A234 I236 V396 C397 V407 L429	Y227-V400 HydrophobicContact CE1-CG1 4.16Å; H229-V400 HydrophobicContact CB-CG1 3.7Å; N232-V400 PolarHBondContact ND2-O 3.09Å; A234-V400 HydrophobicContact CB-CB 4.38Å; A234-V400 HydrophobicContact CB-CG1 3.89Å; A234-V400 WeakPolarHBondContact CB-O 3.49Å; I236-V400 HydrophobicContact CD1-CG2 4.24Å; I236-V400 HydrophobicContact CG1-CG2 3.74Å; V396-V400 HydrophobicContact CG1-CG2 4.44Å; V396-V400 VanDerWaalsContact O-CG2 3.31Å; V396-V400 WeakPolarHBondContact O-CG2 3.5Å; V396-V400 PolarHBondContact O-N 3.01Å; C397-V400 PolarHBondContact O-N 2.92Å; V400-V407 HydrophobicContact CG2-CG2 3.95Å; V400-L429 HydrophobicContact CB-CD1 4.07Å; V400-L429 HydrophobicContact CB-CD2 4.29Å; V400-L429 HydrophobicContact CG1-CD1 3.84Å; V400-L429 HydrophobicContact CG1-CD2 4.07Å
401	E	94.5	Very high	97.1	Very high	69 Å²	69	26.6 Å²	26.6	32%	0.322	13%	0.127	S	C	.	.	I	π-helix	trans	-77.8	-62.2	-176.8	170.5	61.8	-179	0	0	111.9	H229 N232 C397 L429 V557	H229-E401 IonicContact CE1-OE2 3.87Å; H229-E401 PolarHBondContact CE1-OE2 3.34Å; H229-E401 IonicContact ND1-OE2 3.58Å; H229-E401 IonicContact NE2-OE2 2.58Å; H229-E401 PolarHBondContact NE2-OE2 2.91Å; N232-E401 PolarHBondContact ND2-O 3.03Å; C397-E401 WeakPolarHBondContact O-CB 3.11Å; C397-E401 PolarHBondContact O-N 3.17Å; E401-L429 HydrophobicContact CB-CD2 4Å; E401-V557 HydrophobicContact CG-CB 4.47Å; E401-V557 HydrophobicContact CG-CG1 4.37Å; E401-V557 HydrophobicContact CG-CG2 4.12Å
402	R	92.3	Very high	97	Very high	189 Å²	189	22.7 Å²	22.7	71%	0.713	11%	0.111	S	C	*	.	I	π-helix	trans	-79.9	-41.6	-169.1	174.4	-173.9	63.6	-143.5	-2	112.4	G398	G398-R402 WeakPolarHBondContact O-CB 3.23Å; G398-R402 PolarHBondContact O-N 3.43Å; G398-R402 VanDerWaalsContact O-N 3.07Å
403	E	93.3	Very high	97	Very high	65 Å²	65	24.7 Å²	24.7	30%	0.304	12%	0.121	S	C	.	.	I	π-helix	trans	-91.5	-20.4	-174.2	-72.5	150.5	-135.9	0	0	112.4	Q308 G398 A399 R405	Q308-E403 PolarHBondContact NE2-O 2.81Å; Q308-E403 PolarHBondContact OE1-O 2.89Å; G398-E403 PolarHBondContact O-N 2.97Å; A399-E403 CarbonylContact O-C 3.55Å; A399-E403 WeakPolarHBondContact O-CB 3.46Å; A399-E403 PolarHBondContact O-N 3.36Å; E403-R405 HydrophobicContact CB-CB 3.96Å; E403-R405 PolarHBondContact O-N 2.78Å
404	G	93.3	Very high	96.9	Very high	27 Å²	27	24.8 Å²	24.8	28%	0.278	12%	0.122	S	C	.	.			trans	70.9	21.3	-174.9	0	0	0	0	0	113.2	A399	A399-G404 PolarHBondContact O-N 3.02Å; A399-G404 VanDerWaalsContact O-N 3.08Å
405	R	94.5	Very high	96.9	Very high	22 Å²	22	24.1 Å²	24.1	8%	0.083	12%	0.117	C	C	.	.			trans	-92.4	130.9	-163.8	-169.5	176.1	-178.8	-179.8	0.9	111.7	Q308 K309 E341 A399 E403	Q308-R405 HydrophobicContact CB-CG 4.35Å; K309-R405 WeakPolarHBondContact O-CG 3.19Å; K309-R405 PolarHBondContact O-NE 2.89Å; K309-R405 PolarHBondContact O-NH2 3.39Å; K309-R405 VanDerWaalsContact O-NH2 3.15Å; E341-R405 VanDerWaalsContact CB-NH2 3.33Å; E341-R405 IonicContact OE2-CZ 3.72Å; E341-R405 IonicContact OE2-NH1 2.74Å; E341-R405 PolarHBondContact OE2-NH1 3.45Å; E341-R405 IonicContact OE2-NH2 2.92Å; E341-R405 PolarHBondContact OE2-NH2 3.32Å; A399-R405 HydrophobicContact CB-CB 4.2Å; A399-R405 WeakPolarHBondContact O-CB 3.37Å; A399-R405 PolarHBondContact O-N 2.65Å; E403-R405 HydrophobicContact CB-CB 3.96Å; E403-R405 PolarHBondContact O-N 2.78Å
406	P	96.7	Very high	96.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.			trans	-69.2	140.6	172.5	25.5	-29.9	0	0	0	111.2	V235 A262 C265 L310 L311	V235-P406 HydrophobicContact CG2-CB 3.93Å; V235-P406 WeakPolarHBondContact O-CA 3.26Å; A262-P406 HydrophobicContact CB-CG 4.29Å; C265-P406 HydrophobicContact CB-CB 4Å; C265-P406 HydrophobicContact CB-CG 4.27Å; L310-P406 WeakPolarHBondContact CA-O 3.13Å; L310-P406 HydrophobicContact CB-CG 4.19Å; L310-P406 HydrophobicContact CD1-CB 4.26Å; L310-P406 HydrophobicContact CG-CB 4.39Å; L310-P406 HydrophobicContact CG-CG 4.42Å; L311-P406 PolarHBondContact N-O 3.37Å
407	V	98.6	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.9	-177	-170.4	0	0	0	0	111.3	V235 I236 A237 L311 L313 V396 A399 V400 V409	V235-V407 PolarHBondContact O-N 2.93Å; I236-V407 CarbonylContact C-O 3.15Å; I236-V407 WeakPolarHBondContact CA-O 3.37Å; A237-V407 PolarHBondContact N-O 3.4Å; L311-V407 HydrophobicContact CB-CG1 4.31Å; L311-V407 HydrophobicContact CB-CG2 4.32Å; L311-V407 HydrophobicContact CD2-CG1 4.29Å; L311-V407 HydrophobicContact CD2-CG2 4.45Å; L311-V407 HydrophobicContact CG-CG1 4.35Å; L311-V407 CarbonylContact O-C 3.58Å; L311-V407 WeakPolarHBondContact O-CA 3.28Å; L313-V407 HydrophobicContact CB-CG1 4.4Å; V396-V407 HydrophobicContact CG1-CB 4.42Å; V396-V407 HydrophobicContact CG1-CG1 4.25Å; V396-V407 HydrophobicContact CG1-CG2 4.41Å; V396-V407 HydrophobicContact CG2-CG1 4.19Å; A399-V407 HydrophobicContact CB-CG2 3.73Å; V400-V407 HydrophobicContact CG2-CG2 3.95Å; V407-V409 HydrophobicContact CG1-CG2 3.97Å
408	L	98.8	Very high	96.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.1	170.1	179.7	64.6	0	0	0	109.6	P223 A237 C239 V258 L310 L311 I312 L313	P223-L408 HydrophobicContact CB-CD1 4.02Å; P223-L408 HydrophobicContact CG-CD2 4.43Å; A237-L408 HydrophobicContact CB-CD1 3.59Å; C239-L408 HydrophobicContact CB-CD1 4.37Å; V258-L408 HydrophobicContact CG1-CD2 4.32Å; V258-L408 HydrophobicContact CG2-CD2 3.96Å; L310-L408 HydrophobicContact CD2-CB 3.84Å; L311-L408 PolarHBondContact O-N 3.3Å; I312-L408 WeakPolarHBondContact CA-O 3.49Å; I312-L408 HydrophobicContact CG1-CD2 4.47Å; L313-L408 PolarHBondContact N-O 3.46Å
409	V	98.9	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.1	-178.3	-174.2	0	0	0	0	110.8	I236 A237 R238 C239 L313 V396 V407 T418 I421 V422	I236-V409 HydrophobicContact CG2-CG2 4.14Å; A237-V409 PolarHBondContact O-N 2.95Å; R238-V409 WeakPolarHBondContact CA-O 2.95Å; C239-V409 PolarHBondContact N-O 3.47Å; L313-V409 HydrophobicContact CD2-CG1 4.04Å; L313-V409 HydrophobicContact CD2-CG2 4.49Å; V396-V409 HydrophobicContact CG2-CG2 4.06Å; V407-V409 HydrophobicContact CG1-CG2 3.97Å; V409-T418 HydrophobicContact CG1-CG2 4.25Å; V409-T418 WeakPolarHBondContact O-CG2 3.45Å; V409-I421 HydrophobicContact CG1-CB 4.01Å; V409-I421 HydrophobicContact CG1-CD1 4Å; V409-I421 HydrophobicContact CG1-CG2 3.97Å; V409-I421 HydrophobicContact CG2-CG2 4.42Å; V409-V422 HydrophobicContact CB-CG2 3.79Å; V409-V422 HydrophobicContact CG1-CG2 4.07Å; V409-V422 HydrophobicContact CG2-CG2 4.03Å
410	H	98.8	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	-179.1	175.3	74.2	100.1	0	0	0	112.7	C239 I312 L313 D314 A315 E332 T418	C239-H410 WeakPolarHBondContact O-CA 3.33Å; C239-H410 VanDerWaalsContact O-CB 3.25Å; C239-H410 WeakPolarHBondContact O-CB 3.36Å; I312-H410 WeakPolarHBondContact CG2-NE2 3.38Å; L313-H410 PolarHBondContact O-N 2.78Å; D314-H410 IonicContact OD2-CE1 2.7Å; A315-H410 PolarHBondContact N-O 3.23Å; E332-H410 IonicContact OE2-CE1 2.69Å; E332-H410 IonicContact OE2-NE2 3.19Å; H410-T418 VanDerWaalsContact C-OG1 3.28Å; H410-T418 WeakPolarHBondContact CA-OG1 3.33Å
411	C	97.5	Very high	97.1	Very high	2 Å²	2	23 Å²	23	1%	0.014	11%	0.107	C	C	.	.			trans	-147.3	-131.9	165.5	58.2	0	0	0	0	108	Q241 A315 R316 G414 R417 T418	Q241-C411 WeakPolarHBondContact CB-O 3.41Å; Q241-C411 PolarHBondContact N-O 3.42Å; A315-C411 HydrophobicContact CB-CB 3.91Å; R316-C411 HydrophobicContact CG-CB 4.27Å; C411-G414 PolarHBondContact SG-N 3.11Å; C411-G414 VanDerWaalsContact SG-N 3.43Å; C411-R417 HydrophobicContact CB-CB 4.24Å; C411-T418 PolarHBondContact N-OG1 3.15Å; C411-T418 PolarHBondContact SG-OG1 3.15Å; C411-T418 VanDerWaalsContact SG-OG1 3.37Å
412	S	97.4	Very high	97.3	Very high	7 Å²	7	19.8 Å²	19.8	5%	0.049	9%	0.092	C	C	.	.	S	Bend	trans	-72.6	-79.8	163.7	-67.6	0	0	0	0	109.5	S240 Q241 R316 N324	S240-S412 WeakPolarHBondContact CA-O 3.49Å; S240-S412 WeakPolarHBondContact CB-O 3.24Å; Q241-S412 WeakPolarHBondContact CG-O 3.4Å; Q241-S412 PolarHBondContact N-O 2.91Å; R316-S412 WeakPolarHBondContact CD-OG 3.48Å; R316-S412 PolarHBondContact NH1-OG 2.98Å; N324-S412 VanDerWaalsContact CG-OG 3.3Å; N324-S412 PolarHBondContact ND2-OG 3.48Å; N324-S412 PolarHBondContact OD1-OG 3.23Å
413	D	97.4	Very high	97.6	Very high	42 Å²	42	10.8 Å²	10.8	23%	0.225	6%	0.058	C	C	.	.	S	Bend	trans	-90	-10.4	-169	-42.1	-94.5	0	0	0	113.7	W219 R221 W415	W219-D413 PolarHBondContact NE1-OD1 3.31Å; R221-D413 WeakPolarHBondContact CD-O 3.39Å; R221-D413 PolarHBondContact NE-O 2.85Å; D413-W415 VanDerWaalsContact C-N 3.34Å; D413-W415 HydrophobicContact CB-CD2 3.68Å; D413-W415 HydrophobicContact CB-CE3 4.07Å; D413-W415 HydrophobicContact CB-CG 4.27Å; D413-W415 HydrophobicContact CB-CH2 3.91Å; D413-W415 HydrophobicContact CB-CZ2 3.49Å; D413-W415 VanDerWaalsContact CB-CZ2 3.49Å; D413-W415 HydrophobicContact CB-CZ3 4.18Å; D413-W415 PolarHBondContact O-N 3.35Å
414	G	97.6	Very high	97.9	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.01	4%	0.043	C	C	.	.	S	Bend	trans	76.2	11.2	175.7	0	0	0	0	0	116	R221 C239 C411 T418	R221-G414 PolarHBondContact NH2-O 3.04Å; C239-G414 WeakPolarHBondContact O-CA 3.49Å; C411-G414 PolarHBondContact SG-N 3.11Å; C411-G414 VanDerWaalsContact SG-N 3.43Å; G414-T418 WeakPolarHBondContact CA-OG1 3.44Å
415	W	97.7	Very high	98.2	Very high	14 Å²	14	6.4 Å²	6.4	5%	0.053	3%	0.03	C	C	.	.	S	Bend	trans	-117.5	-8.2	-179.4	57.9	52.6	0	0	0	115.9	W219 D413 P419 G451 H452 K453	W219-W415 HydrophobicContact CB-CZ3 4.18Å; W219-W415 AromaticContact CD1-CH2 3.63Å; W219-W415 AromaticContact CD1-CZ3 3.83Å; W219-W415 AromaticContact CD2-CH2 3.76Å; W219-W415 HydrophobicContact CD2-CH2 3.76Å; W219-W415 HydrophobicContact CD2-CZ3 4.03Å; W219-W415 AromaticContact CE2-CH2 3.56Å; W219-W415 AromaticContact CG-CH2 3.82Å; W219-W415 HydrophobicContact CG-CH2 3.82Å; W219-W415 AromaticContact CG-CZ3 3.75Å; W219-W415 HydrophobicContact CG-CZ3 3.75Å; W219-W415 HydrophobicContact CZ2-CH2 4.16Å; W219-W415 AromaticContact NE1-CH2 3.43Å; D413-W415 VanDerWaalsContact C-N 3.34Å; D413-W415 HydrophobicContact CB-CD2 3.68Å; D413-W415 HydrophobicContact CB-CE3 4.07Å; D413-W415 HydrophobicContact CB-CG 4.27Å; D413-W415 HydrophobicContact CB-CH2 3.91Å; D413-W415 HydrophobicContact CB-CZ2 3.49Å; D413-W415 VanDerWaalsContact CB-CZ2 3.49Å; D413-W415 HydrophobicContact CB-CZ3 4.18Å; D413-W415 PolarHBondContact O-N 3.35Å; W415-P419 VanDerWaalsContact O-CG 3.25Å; W415-P419 WeakPolarHBondContact O-CG 3.44Å; W415-G451 WeakPolarHBondContact CB-O 3.18Å; W415-H452 PolarHBondContact O-ND1 2.91Å; W415-K453 HydrophobicContact CD2-CD 4.34Å; W415-K453 HydrophobicContact CD2-CG 4.41Å; W415-K453 HydrophobicContact CZ2-CD 3.87Å
416	D	98.2	Very high	98.4	Very high	12 Å²	12	5.4 Å²	5.4	6%	0.064	3%	0.026	C	C	.	.	S	Bend	trans	-106.1	-79	178	-73.1	-52.6	0	0	0	112	I350 T418 P419 Q420 H452 R457 V473	I350-D416 HydrophobicContact CG2-CB 4.47Å; D416-T418 VanDerWaalsContact C-N 3.33Å; D416-T418 PolarHBondContact O-N 3.32Å; D416-P419 VanDerWaalsContact O-CD 3.25Å; D416-P419 WeakPolarHBondContact O-CD 3.49Å; D416-P419 VanDerWaalsContact O-CG 3.29Å; D416-P419 WeakPolarHBondContact O-CG 3.45Å; D416-Q420 WeakPolarHBondContact O-CG 3.49Å; D416-H452 IonicContact OD1-CE1 2.62Å; D416-H452 PolarHBondContact OD1-CE1 2.74Å; D416-H452 VanDerWaalsContact OD1-CE1 3.25Å; D416-H452 IonicContact OD1-ND1 3.97Å; D416-R457 IonicContact OD1-CZ 2.74Å; D416-R457 IonicContact OD1-NE 2.81Å; D416-R457 PolarHBondContact OD1-NE 3.37Å; D416-R457 IonicContact OD1-NH2 3.13Å; D416-R457 IonicContact OD2-CZ 2.61Å; D416-R457 IonicContact OD2-NE 3.78Å; D416-R457 PolarHBondContact OD2-NE 3.27Å; D416-R457 IonicContact OD2-NH2 3.68Å; D416-R457 PolarHBondContact OD2-NH2 3.06Å; D416-V473 HydrophobicContact CB-CG1 4.16Å
417	R	98.7	Very high	98.5	Very high	29 Å²	29	5.4 Å²	5.4	11%	0.109	3%	0.026	C	C	.	.	H	α-helix	trans	-71	-27.2	-178	-70	163.6	-78.1	-159.1	-2.3	113.6	A315 M347 A348 C411 Q420 I421	A315-R417 HydrophobicContact CB-CB 3.54Å; A315-R417 HydrophobicContact CB-CG 4.32Å; M347-R417 HydrophobicContact CB-CG 4.24Å; M347-R417 HydrophobicContact CE-CB 4.39Å; M347-R417 HydrophobicContact CE-CG 4.14Å; M347-R417 PolarHBondContact O-NH1 3Å; M347-R417 HydrophobicContact SD-CB 4.5Å; A348-R417 WeakPolarHBondContact O-CD 3.44Å; A348-R417 PolarHBondContact O-NH1 2.88Å; C411-R417 HydrophobicContact CB-CB 4.24Å; R417-Q420 WeakPolarHBondContact O-CB 3.41Å; R417-Q420 PolarHBondContact O-N 3.32Å; R417-I421 WeakPolarHBondContact O-CG1 3.36Å; R417-I421 PolarHBondContact O-N 3.04Å; R417-I421 VanDerWaalsContact O-N 3.08Å
418	T	98.8	Very high	98.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-63.8	-53.7	179.5	-58.1	0	0	0	0	112.5	R238 V409 H410 C411 G414 D416 Q420 I421 V422	R238-T418 HydrophobicContact CB-CG2 3.8Å; V409-T418 HydrophobicContact CG1-CG2 4.25Å; V409-T418 WeakPolarHBondContact O-CG2 3.45Å; H410-T418 VanDerWaalsContact C-OG1 3.28Å; H410-T418 WeakPolarHBondContact CA-OG1 3.33Å; C411-T418 PolarHBondContact N-OG1 3.15Å; C411-T418 PolarHBondContact SG-OG1 3.15Å; C411-T418 VanDerWaalsContact SG-OG1 3.37Å; G414-T418 WeakPolarHBondContact CA-OG1 3.44Å; D416-T418 VanDerWaalsContact C-N 3.33Å; D416-T418 PolarHBondContact O-N 3.32Å; T418-Q420 VanDerWaalsContact C-N 3.31Å; T418-Q420 PolarHBondContact O-N 3.07Å; T418-I421 PolarHBondContact O-N 2.85Å; T418-V422 HydrophobicContact CG2-CG2 4.29Å; T418-V422 WeakPolarHBondContact O-CB 3.39Å; T418-V422 VanDerWaalsContact O-CG2 3.3Å; T418-V422 WeakPolarHBondContact O-CG2 3.37Å; T418-V422 PolarHBondContact O-N 2.99Å
419	P	98.8	Very high	98.4	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-63.6	-33.6	173.6	22.9	-31.7	0	0	0	113.3	W415 D416 I421 V422 A423 D446 W447	W415-P419 VanDerWaalsContact O-CG 3.25Å; W415-P419 WeakPolarHBondContact O-CG 3.44Å; D416-P419 VanDerWaalsContact O-CD 3.25Å; D416-P419 WeakPolarHBondContact O-CD 3.49Å; D416-P419 VanDerWaalsContact O-CG 3.29Å; D416-P419 WeakPolarHBondContact O-CG 3.45Å; P419-I421 VanDerWaalsContact C-N 3.34Å; P419-I421 PolarHBondContact O-N 3.48Å; P419-V422 PolarHBondContact O-N 3.43Å; P419-A423 WeakPolarHBondContact O-CB 3.39Å; P419-A423 PolarHBondContact O-N 3.41Å; P419-D446 WeakPolarHBondContact CB-O 3.25Å; P419-W447 HydrophobicContact CB-CD2 4.06Å; P419-W447 HydrophobicContact CB-CE3 4.36Å; P419-W447 HydrophobicContact CB-CG 4.47Å; P419-W447 HydrophobicContact CB-CZ2 4.29Å; P419-W447 HydrophobicContact CG-CE3 4.33Å; P419-W447 HydrophobicContact CG-CZ3 4.34Å
420	Q	98.8	Very high	98.3	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.019	3%	0.031	C	C	.	.	H	α-helix	trans	-53.9	-49.1	172.8	-73	-178.1	-31.6	0	0	112.2	M389 D416 R417 T418 L424 W447 V473 W477	M389-Q420 HydrophobicContact CE-CB 4.22Å; M389-Q420 HydrophobicContact CE-CG 4.06Å; M389-Q420 VanDerWaalsContact CE-NE2 3.34Å; M389-Q420 HydrophobicContact CG-CB 4.27Å; M389-Q420 HydrophobicContact SD-CB 3.79Å; M389-Q420 HydrophobicContact SD-CG 4.12Å; D416-Q420 WeakPolarHBondContact O-CG 3.49Å; R417-Q420 WeakPolarHBondContact O-CB 3.41Å; R417-Q420 PolarHBondContact O-N 3.32Å; T418-Q420 VanDerWaalsContact C-N 3.31Å; T418-Q420 PolarHBondContact O-N 3.07Å; Q420-L424 WeakPolarHBondContact O-CB 3.33Å; Q420-L424 PolarHBondContact O-N 2.89Å; Q420-W447 HydrophobicContact CG-CH2 3.6Å; Q420-W447 HydrophobicContact CG-CZ2 4.01Å; Q420-V473 HydrophobicContact CG-CG1 4.17Å; Q420-V473 PolarHBondContact NE2-O 3.35Å; Q420-W477 HydrophobicContact CG-CB 4.3Å
421	I	98.9	Very high	98.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-72.4	-50.5	179.7	-61.7	163.8	0	0	0	111.1	L313 A315 M347 A392 V396 V409 R417 T418 P419 L424 A425	L313-I421 HydrophobicContact CD2-CD1 3.78Å; L313-I421 HydrophobicContact CD2-CG2 4.18Å; A315-I421 HydrophobicContact CB-CD1 3.58Å; M347-I421 HydrophobicContact SD-CD1 3.74Å; M347-I421 HydrophobicContact SD-CG1 3.91Å; A392-I421 HydrophobicContact CB-CD1 4.08Å; A392-I421 HydrophobicContact CB-CG1 3.89Å; A392-I421 HydrophobicContact CB-CG2 4.33Å; V396-I421 HydrophobicContact CG2-CG2 3.76Å; V409-I421 HydrophobicContact CG1-CB 4.01Å; V409-I421 HydrophobicContact CG1-CD1 4Å; V409-I421 HydrophobicContact CG1-CG2 3.97Å; V409-I421 HydrophobicContact CG2-CG2 4.42Å; R417-I421 WeakPolarHBondContact O-CG1 3.36Å; R417-I421 PolarHBondContact O-N 3.04Å; R417-I421 VanDerWaalsContact O-N 3.08Å; T418-I421 PolarHBondContact O-N 2.85Å; P419-I421 VanDerWaalsContact C-N 3.34Å; P419-I421 PolarHBondContact O-N 3.48Å; I421-L424 PolarHBondContact O-N 3.08Å; I421-A425 VanDerWaalsContact O-CB 3.31Å; I421-A425 WeakPolarHBondContact O-CB 3.35Å; I421-A425 PolarHBondContact O-N 3.43Å
422	V	98.9	Very high	98.1	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.7	-48.5	-173.9	171.9	0	0	0	0	111.3	V226 I236 R238 V409 T418 P419 L424 A425 K426 D446	V226-V422 HydrophobicContact CG2-CG1 3.78Å; I236-V422 HydrophobicContact CG2-CG1 4.45Å; I236-V422 HydrophobicContact CG2-CG2 4.22Å; R238-V422 HydrophobicContact CB-CG2 4.4Å; V409-V422 HydrophobicContact CB-CG2 3.79Å; V409-V422 HydrophobicContact CG1-CG2 4.07Å; V409-V422 HydrophobicContact CG2-CG2 4.03Å; T418-V422 HydrophobicContact CG2-CG2 4.29Å; T418-V422 WeakPolarHBondContact O-CB 3.39Å; T418-V422 VanDerWaalsContact O-CG2 3.3Å; T418-V422 WeakPolarHBondContact O-CG2 3.37Å; T418-V422 PolarHBondContact O-N 2.99Å; P419-V422 PolarHBondContact O-N 3.43Å; V422-L424 VanDerWaalsContact C-N 3.35Å; V422-L424 PolarHBondContact O-N 2.9Å; V422-A425 PolarHBondContact O-N 3.39Å; V422-K426 HydrophobicContact CG1-CD 4.03Å; V422-K426 WeakPolarHBondContact O-CB 3.47Å; V422-K426 VanDerWaalsContact O-CG 3.31Å; V422-K426 WeakPolarHBondContact O-CG 3.3Å; V422-K426 PolarHBondContact O-N 2.86Å; V422-D446 WeakPolarHBondContact CG1-OD1 3.38Å
423	A	98.9	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.1	-37.6	-179.3	0	0	0	0	0	111.7	P419 K426 V427 L442 D446 W477	P419-A423 WeakPolarHBondContact O-CB 3.39Å; P419-A423 PolarHBondContact O-N 3.41Å; A423-K426 PolarHBondContact O-N 3.2Å; A423-V427 WeakPolarHBondContact O-CG2 3.43Å; A423-V427 PolarHBondContact O-N 3.48Å; A423-L442 HydrophobicContact CB-CD1 4.14Å; A423-L442 HydrophobicContact CB-CD2 4.07Å; A423-L442 HydrophobicContact CB-CG 4.08Å; A423-D446 HydrophobicContact CB-CB 4.19Å; A423-W477 HydrophobicContact CB-CZ2 3.65Å
424	L	98.9	Very high	98.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.1	-42.4	176.3	-167.4	60.9	0	0	0	111.6	M389 L390 A393 Q420 I421 V422 K426 V427 L428 C480 V481 L484	M389-L424 HydrophobicContact CG-CD2 4.05Å; M389-L424 HydrophobicContact SD-CD2 4.31Å; L390-L424 HydrophobicContact CD2-CD2 3.99Å; L390-L424 HydrophobicContact CG-CD2 4.35Å; A393-L424 HydrophobicContact CB-CB 3.75Å; A393-L424 HydrophobicContact CB-CD2 3.71Å; A393-L424 HydrophobicContact CB-CG 3.64Å; Q420-L424 WeakPolarHBondContact O-CB 3.33Å; Q420-L424 PolarHBondContact O-N 2.89Å; I421-L424 PolarHBondContact O-N 3.08Å; V422-L424 VanDerWaalsContact C-N 3.35Å; V422-L424 PolarHBondContact O-N 2.9Å; L424-K426 VanDerWaalsContact C-N 3.33Å; L424-K426 PolarHBondContact O-N 3.06Å; L424-V427 WeakPolarHBondContact O-CB 3.47Å; L424-V427 PolarHBondContact O-N 2.95Å; L424-L428 WeakPolarHBondContact O-CG 3.37Å; L424-L428 PolarHBondContact O-N 3.47Å; L424-C480 HydrophobicContact CD1-CB 4.2Å; L424-C480 HydrophobicContact CD2-CB 3.92Å; L424-V481 HydrophobicContact CD1-CG2 4.38Å; L424-L484 HydrophobicContact CD1-CD1 3.62Å; L424-L484 HydrophobicContact CD1-CG 4.41Å
425	A	98.8	Very high	98.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.5	-40.1	174.3	0	0	0	0	0	112	I236 A393 V396 I421 V422 L428 L429	I236-A425 HydrophobicContact CD1-CB 4.29Å; A393-A425 HydrophobicContact CB-CB 4.36Å; V396-A425 HydrophobicContact CB-CB 3.98Å; V396-A425 HydrophobicContact CG1-CB 3.8Å; I421-A425 VanDerWaalsContact O-CB 3.31Å; I421-A425 WeakPolarHBondContact O-CB 3.35Å; I421-A425 PolarHBondContact O-N 3.43Å; V422-A425 PolarHBondContact O-N 3.39Å; A425-L428 PolarHBondContact O-N 2.93Å; A425-L429 WeakPolarHBondContact O-CB 3.48Å; A425-L429 WeakPolarHBondContact O-CD1 3.31Å; A425-L429 WeakPolarHBondContact O-CG 3.46Å; A425-L429 PolarHBondContact O-N 3.41Å
426	K	98.7	Very high	98	Very high	1 Å²	1	8.5 Å²	8.5	0%	0.004	4%	0.042	C	C	.	.	H	α-helix	trans	-60.6	-42.8	173.4	-74.7	175.2	68.4	166.4	0	111.9	E168 V226 Y227 V422 A423 L424 L428 L429 D430 Y433 L442 D446	E168-K426 IonicContact OE2-NZ 2.74Å; V226-K426 PolarHBondContact O-NZ 3.09Å; Y227-K426 HydrophobicContact CD2-CD 4.48Å; Y227-K426 HydrophobicContact CD2-CG 4.02Å; Y227-K426 HydrophobicContact CG-CG 4.12Å; V422-K426 HydrophobicContact CG1-CD 4.03Å; V422-K426 WeakPolarHBondContact O-CB 3.47Å; V422-K426 VanDerWaalsContact O-CG 3.31Å; V422-K426 WeakPolarHBondContact O-CG 3.3Å; V422-K426 PolarHBondContact O-N 2.86Å; A423-K426 PolarHBondContact O-N 3.2Å; L424-K426 VanDerWaalsContact C-N 3.33Å; L424-K426 PolarHBondContact O-N 3.06Å; K426-L428 PolarHBondContact O-N 3.5Å; K426-L429 PolarHBondContact O-N 2.88Å; K426-D430 PolarHBondContact O-N 3.4Å; K426-Y433 HydrophobicContact CB-CD2 3.81Å; K426-Y433 HydrophobicContact CB-CE2 3.76Å; K426-Y433 WeakPolarHBondContact CE-OH 3.27Å; K426-Y433 HydrophobicContact CG-CE2 4.24Å; K426-Y433 PolarHBondContact NZ-OH 3.08Å; K426-Y433 WeakPolarHBondContact O-CD2 3.41Å; K426-L442 HydrophobicContact CB-CD1 3.93Å; K426-L442 HydrophobicContact CD-CD1 4.01Å; K426-D446 WeakPolarHBondContact CD-OD2 3.44Å; K426-D446 WeakPolarHBondContact CE-OD2 3.3Å; K426-D446 IonicContact NZ-OD2 3.7Å; K426-D446 PolarHBondContact NZ-OD2 3.39Å
427	V	98.6	Very high	97.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.7	-39.3	173.4	169.5	0	0	0	0	112.7	A423 L424 R434 L442 L484 F492	A423-V427 WeakPolarHBondContact O-CG2 3.43Å; A423-V427 PolarHBondContact O-N 3.48Å; L424-V427 WeakPolarHBondContact O-CB 3.47Å; L424-V427 PolarHBondContact O-N 2.95Å; V427-R434 HydrophobicContact CG1-CG 4.39Å; V427-R434 PolarHBondContact O-NE 3.42Å; V427-L442 HydrophobicContact CG2-CD2 3.49Å; V427-L442 VanDerWaalsContact CG2-CD2 3.49Å; V427-L484 HydrophobicContact CG1-CD1 3.78Å; V427-F492 HydrophobicContact CG1-CE1 3.64Å; V427-F492 HydrophobicContact CG1-CZ 3.82Å
428	L	98.6	Very high	97.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.8	-47.3	176.5	-63.1	179.5	0	0	0	111.6	A393 C397 L424 A425 K426 R434 L484 V557 L558 P560	A393-L428 HydrophobicContact CB-CD1 4.08Å; C397-L428 HydrophobicContact CB-CB 4.32Å; C397-L428 HydrophobicContact CB-CD1 4.13Å; L424-L428 WeakPolarHBondContact O-CG 3.37Å; L424-L428 PolarHBondContact O-N 3.47Å; A425-L428 PolarHBondContact O-N 2.93Å; K426-L428 PolarHBondContact O-N 3.5Å; L428-R434 PolarHBondContact O-NH2 3.42Å; L428-L484 HydrophobicContact CD2-CD1 3.67Å; L428-L484 HydrophobicContact CD2-CD2 3.75Å; L428-L484 HydrophobicContact CD2-CG 4.39Å; L428-V557 WeakPolarHBondContact O-CA 3.24Å; L428-L558 HydrophobicContact CB-CB 4.43Å; L428-L558 HydrophobicContact CD2-CB 3.71Å; L428-L558 HydrophobicContact CD2-CD1 4.43Å; L428-L558 PolarHBondContact O-N 3.11Å; L428-P560 HydrophobicContact CD1-CG 4.33Å; L428-P560 HydrophobicContact CD2-CG 3.91Å
429	L	97.9	Very high	97.5	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-73.6	-46	-174.2	-72.6	162.1	0	0	0	113.7	Y227 I236 C397 V400 E401 A425 K426 V557	Y227-L429 HydrophobicContact CD1-CD1 4.28Å; Y227-L429 HydrophobicContact CE1-CB 4.32Å; Y227-L429 HydrophobicContact CE1-CD1 3.84Å; I236-L429 HydrophobicContact CD1-CD1 3.89Å; C397-L429 HydrophobicContact CB-CD2 4.36Å; C397-L429 HydrophobicContact CB-CG 4.29Å; V400-L429 HydrophobicContact CB-CD1 4.07Å; V400-L429 HydrophobicContact CB-CD2 4.29Å; V400-L429 HydrophobicContact CG1-CD1 3.84Å; V400-L429 HydrophobicContact CG1-CD2 4.07Å; E401-L429 HydrophobicContact CB-CD2 4Å; A425-L429 WeakPolarHBondContact O-CB 3.48Å; A425-L429 WeakPolarHBondContact O-CD1 3.31Å; A425-L429 WeakPolarHBondContact O-CG 3.46Å; A425-L429 PolarHBondContact O-N 3.41Å; K426-L429 PolarHBondContact O-N 2.88Å; L429-V557 HydrophobicContact CD2-CG1 4.19Å; L429-V557 HydrophobicContact CD2-CG2 4.49Å
430	D	96.9	Very high	97.4	Very high	17 Å²	17	11.3 Å²	11.3	9%	0.091	6%	0.056	C	C	.	.			trans	-118.7	117.2	-162.3	-178.7	-12.5	0	0	0	111.6	R171 Y227 K426 Y432 Y433	R171-D430 IonicContact CZ-OD2 3.2Å; R171-D430 VanDerWaalsContact CZ-OD2 3.23Å; R171-D430 IonicContact NH1-OD1 3.65Å; R171-D430 PolarHBondContact NH1-OD1 2.82Å; R171-D430 IonicContact NH1-OD2 2.86Å; R171-D430 PolarHBondContact NH1-OD2 3.19Å; R171-D430 IonicContact NH2-OD2 2.79Å; R171-D430 PolarHBondContact NH2-OD2 3.04Å; Y227-D430 HydrophobicContact CE2-CB 3.88Å; K426-D430 PolarHBondContact O-N 3.4Å; D430-Y432 PolarHBondContact O-N 3.08Å; D430-Y432 VanDerWaalsContact O-N 3.17Å; D430-Y432 WeakPolarHBondContact OD1-CB 3.42Å; D430-Y432 PolarHBondContact OD1-N 3.01Å; D430-Y433 HydrophobicContact CB-CD2 3.67Å; D430-Y433 HydrophobicContact CB-CE2 3.66Å; D430-Y433 PolarHBondContact O-N 3.16Å; D430-Y433 VanDerWaalsContact OD2-CE2 3.28Å; D430-Y433 WeakPolarHBondContact OD2-CE2 3.13Å
431	P	96.6	Very high	97.3	Very high	30 Å²	30	11.2 Å²	11.2	20%	0.195	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-58.3	-24.9	178.7	-22	30.7	0	0	0	114.6	Y433 R434 H554	P431-Y433 VanDerWaalsContact C-N 3.31Å; P431-Y433 PolarHBondContact O-N 2.82Å; P431-R434 WeakPolarHBondContact O-CB 3.25Å; P431-R434 PolarHBondContact O-N 3.08Å; P431-H554 WeakPolarHBondContact CG-O 3.22Å
432	Y	96.1	Very high	97.2	Very high	50 Å²	50	11.2 Å²	11.2	20%	0.196	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-56.1	-46.5	179.8	175.7	-117.9	0	0	0	111.3	R171 D430 R434 T435 E437 G438 V441	R171-Y432 VanDerWaalsContact NE-CD1 3.3Å; D430-Y432 PolarHBondContact O-N 3.08Å; D430-Y432 VanDerWaalsContact O-N 3.17Å; D430-Y432 WeakPolarHBondContact OD1-CB 3.42Å; D430-Y432 PolarHBondContact OD1-N 3.01Å; Y432-R434 PolarHBondContact O-N 3.43Å; Y432-T435 WeakPolarHBondContact O-CB 3.37Å; Y432-T435 PolarHBondContact O-N 2.8Å; Y432-T435 PolarHBondContact O-OG1 2.69Å; Y432-E437 PolarHBondContact OH-OE1 2.81Å; Y432-G438 WeakPolarHBondContact O-CA 3.33Å; Y432-V441 HydrophobicContact CE1-CB 4.34Å; Y432-V441 HydrophobicContact CE1-CG1 4.36Å
433	Y	97.5	Very high	97.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-73.2	3.9	-178.4	-46.6	-69.1	0	0	0	114.3	E168 R171 Y227 K426 D430 P431 G438 F439 L442	E168-Y433 WeakPolarHBondContact OE2-CE1 3.47Å; E168-Y433 PolarHBondContact OE2-OH 2.84Å; R171-Y433 PolarHBondContact NH2-OH 3.29Å; Y227-Y433 HydrophobicContact CD2-CE2 4.28Å; Y227-Y433 HydrophobicContact CE2-CE2 4.2Å; K426-Y433 HydrophobicContact CB-CD2 3.81Å; K426-Y433 HydrophobicContact CB-CE2 3.76Å; K426-Y433 WeakPolarHBondContact CE-OH 3.27Å; K426-Y433 HydrophobicContact CG-CE2 4.24Å; K426-Y433 PolarHBondContact NZ-OH 3.08Å; K426-Y433 WeakPolarHBondContact O-CD2 3.41Å; D430-Y433 HydrophobicContact CB-CD2 3.67Å; D430-Y433 HydrophobicContact CB-CE2 3.66Å; D430-Y433 PolarHBondContact O-N 3.16Å; D430-Y433 VanDerWaalsContact OD2-CE2 3.28Å; D430-Y433 WeakPolarHBondContact OD2-CE2 3.13Å; P431-Y433 VanDerWaalsContact C-N 3.31Å; P431-Y433 PolarHBondContact O-N 2.82Å; Y433-G438 WeakPolarHBondContact CD1-O 3.25Å; Y433-F439 WeakPolarHBondContact O-CD2 3.48Å; Y433-L442 HydrophobicContact CD1-CB 3.86Å; Y433-L442 HydrophobicContact CD1-CD1 3.91Å; Y433-L442 HydrophobicContact CD1-CG 4.38Å; Y433-L442 HydrophobicContact CE1-CD1 4.15Å; Y433-L442 HydrophobicContact CG-CB 4.39Å; Y433-L442 HydrophobicContact CG-CD1 4.1Å
434	R	97.8	Very high	97.1	Very high	3 Å²	3	11.4 Å²	11.4	1%	0.011	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-99.3	-9.3	171.3	-46.5	-180	-156	142.2	7.9	112.4	V427 L428 P431 Y432 L491 F492 E493 V556	V427-R434 HydrophobicContact CG1-CG 4.39Å; V427-R434 PolarHBondContact O-NE 3.42Å; L428-R434 PolarHBondContact O-NH2 3.42Å; P431-R434 WeakPolarHBondContact O-CB 3.25Å; P431-R434 PolarHBondContact O-N 3.08Å; Y432-R434 PolarHBondContact O-N 3.43Å; R434-L491 VanDerWaalsContact CB-O 3.3Å; R434-L491 WeakPolarHBondContact CB-O 3.46Å; R434-L491 WeakPolarHBondContact CD-O 3.34Å; R434-F492 HydrophobicContact CB-CD1 3.67Å; R434-F492 HydrophobicContact CB-CE1 4.02Å; R434-F492 HydrophobicContact CB-CG 4.34Å; R434-F492 HydrophobicContact CG-CD1 4.03Å; R434-F492 HydrophobicContact CG-CE1 3.83Å; R434-F492 HydrophobicContact CG-CZ 4.45Å; R434-E493 PolarHBondContact O-N 2.96Å; R434-V556 PolarHBondContact NH1-O 2.88Å; R434-V556 PolarHBondContact NH2-O 3.08Å
435	T	95.9	Very high	96.9	Very high	25 Å²	25	12.4 Å²	12.4	15%	0.153	6%	0.063	C	C	.	.	S	Bend	trans	-75.7	160.2	167.8	67.9	0	0	0	0	111	Y432 E437 G438 F439 E493	Y432-T435 WeakPolarHBondContact O-CB 3.37Å; Y432-T435 PolarHBondContact O-N 2.8Å; Y432-T435 PolarHBondContact O-OG1 2.69Å; T435-E437 VanDerWaalsContact C-N 3.27Å; T435-E437 PolarHBondContact O-N 2.81Å; T435-G438 PolarHBondContact OG1-N 3.04Å; T435-F439 VanDerWaalsContact O-CB 3.24Å; T435-F439 WeakPolarHBondContact O-CB 3.29Å; T435-F439 PolarHBondContact O-N 3.43Å; T435-E493 WeakPolarHBondContact CA-OE2 3.47Å; T435-E493 WeakPolarHBondContact CB-OE2 3.41Å
436	L	94.8	Very high	96.9	Very high	6 Å²	6	12.4 Å²	12.4	3%	0.031	6%	0.063	C	C	.	.	H	α-helix	trans	-59.8	-39.8	173.6	-77.2	158.1	0	0	0	111.4	Q440 E493 F494 F498 A540	L436-Q440 PolarHBondContact O-N 3.25Å; L436-E493 HydrophobicContact CD1-CG 3.89Å; L436-E493 HydrophobicContact CG-CB 4.45Å; L436-E493 HydrophobicContact CG-CG 4.15Å; L436-E493 PolarHBondContact N-OE2 2.79Å; L436-F494 HydrophobicContact CD2-CB 3.64Å; L436-F494 HydrophobicContact CG-CB 4.19Å; L436-F498 HydrophobicContact CD2-CD2 3.53Å; L436-F498 HydrophobicContact CD2-CE2 3.46Å; L436-F498 VanDerWaalsContact CD2-CE2 3.46Å; L436-F498 HydrophobicContact CD2-CG 4.32Å; L436-F498 HydrophobicContact CD2-CZ 4.2Å; L436-A540 HydrophobicContact CD1-CB 4.39Å
437	E	93.4	Very high	96.9	Very high	87 Å²	87	12.3 Å²	12.3	41%	0.407	6%	0.062	S	C	.	.	H	α-helix	trans	-70.7	-51.6	179	-167.1	-161	111.8	0	0	112.2	H160 Y432 T435 F439 Q440 V441	H160-E437 HydrophobicContact CB-CG 4.32Å; H160-E437 WeakPolarHBondContact CD2-CG 3.25Å; Y432-E437 PolarHBondContact OH-OE1 2.81Å; T435-E437 VanDerWaalsContact C-N 3.27Å; T435-E437 PolarHBondContact O-N 2.81Å; E437-F439 PolarHBondContact O-N 3.25Å; E437-Q440 WeakPolarHBondContact O-CB 3.43Å; E437-Q440 PolarHBondContact O-N 2.85Å; E437-V441 PolarHBondContact O-N 3.4Å
438	G	95.6	Very high	96.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.8	-34.2	-177.6	0	0	0	0	0	112.8	Y432 Y433 T435 Q440 V441 L442	Y432-G438 WeakPolarHBondContact O-CA 3.33Å; Y433-G438 WeakPolarHBondContact CD1-O 3.25Å; T435-G438 PolarHBondContact OG1-N 3.04Å; G438-Q440 VanDerWaalsContact C-N 3.31Å; G438-Q440 PolarHBondContact O-N 2.9Å; G438-V441 PolarHBondContact O-N 3.09Å; G438-L442 WeakPolarHBondContact O-CB 3.37Å; G438-L442 PolarHBondContact O-N 3.39Å
439	F	97.7	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.2	-36.7	173.7	-167.2	-90.3	0	0	0	111.8	Y433 T435 E437 L442 V443 W477 L478 V481 F494 F498 L499 L502	Y433-F439 WeakPolarHBondContact O-CD2 3.48Å; T435-F439 VanDerWaalsContact O-CB 3.24Å; T435-F439 WeakPolarHBondContact O-CB 3.29Å; T435-F439 PolarHBondContact O-N 3.43Å; E437-F439 PolarHBondContact O-N 3.25Å; F439-L442 WeakPolarHBondContact O-CB 3.4Å; F439-L442 PolarHBondContact O-N 2.95Å; F439-V443 HydrophobicContact CD1-CG2 4.21Å; F439-V443 HydrophobicContact CE1-CG2 3.91Å; F439-V443 HydrophobicContact CZ-CG2 4.48Å; F439-V443 WeakPolarHBondContact O-CG2 3.32Å; F439-V443 PolarHBondContact O-N 2.93Å; F439-V443 VanDerWaalsContact O-N 3.11Å; F439-W477 HydrophobicContact CE1-CH2 4.27Å; F439-W477 HydrophobicContact CE1-CZ3 4.28Å; F439-W477 AromaticContact CE2-CH2 3.56Å; F439-W477 HydrophobicContact CE2-CH2 3.56Å; F439-W477 HydrophobicContact CE2-CZ2 4.27Å; F439-W477 HydrophobicContact CE2-CZ3 4.19Å; F439-W477 AromaticContact CZ-CH2 3.41Å; F439-W477 HydrophobicContact CZ-CH2 3.41Å; F439-W477 VanDerWaalsContact CZ-CH2 3.41Å; F439-W477 HydrophobicContact CZ-CZ2 4.45Å; F439-W477 AromaticContact CZ-CZ3 3.58Å; F439-W477 HydrophobicContact CZ-CZ3 3.58Å; F439-L478 HydrophobicContact CE1-CD2 4.32Å; F439-L478 HydrophobicContact CZ-CD2 3.94Å; F439-V481 HydrophobicContact CE2-CG1 3.8Å; F439-V481 HydrophobicContact CE2-CG2 4.09Å; F439-V481 HydrophobicContact CZ-CG1 4.16Å; F439-V481 HydrophobicContact CZ-CG2 4.35Å; F439-F494 HydrophobicContact CB-CD1 4.06Å; F439-F494 HydrophobicContact CB-CE1 3.66Å; F439-F494 HydrophobicContact CD1-CE1 4.43Å; F439-F494 HydrophobicContact CD2-CD1 4.48Å; F439-F494 AromaticContact CD2-CE1 3.45Å; F439-F494 HydrophobicContact CD2-CE1 3.45Å; F439-F494 VanDerWaalsContact CD2-CE1 3.45Å; F439-F494 AromaticContact CD2-CZ 3.52Å; F439-F494 HydrophobicContact CD2-CZ 3.52Å; F439-F494 HydrophobicContact CE2-CE1 4.18Å; F439-F494 AromaticContact CE2-CZ 3.78Å; F439-F494 HydrophobicContact CE2-CZ 3.78Å; F439-F494 HydrophobicContact CG-CD1 4.23Å; F439-F494 AromaticContact CG-CE1 3.58Å; F439-F494 HydrophobicContact CG-CE1 3.58Å; F439-F494 HydrophobicContact CG-CZ 4.02Å; F439-F494 HydrophobicContact CZ-CZ 4.46Å; F439-F498 AromaticContact CD1-CE1 3.57Å; F439-F498 HydrophobicContact CD1-CE1 3.57Å; F439-F498 AromaticContact CD1-CZ 3.9Å; F439-F498 HydrophobicContact CD1-CZ 3.9Å; F439-F498 AromaticContact CE1-CE1 3.87Å; F439-F498 HydrophobicContact CE1-CE1 3.87Å; F439-F498 HydrophobicContact CG-CE1 4.35Å; F439-L499 HydrophobicContact CE1-CD2 4.41Å; F439-L499 HydrophobicContact CZ-CD2 4.12Å; F439-L502 HydrophobicContact CE1-CD2 3.77Å
440	Q	95.9	Very high	96.7	Very high	13 Å²	13	13.1 Å²	13.1	6%	0.061	7%	0.066	C	C	.	.	H	α-helix	trans	-61.3	-48.3	170.1	167.5	-177.4	14.4	0	0	111.4	P157 H160 V161 L436 E437 G438 L442 V443 E444 W535	P157-Q440 PolarHBondContact O-NE2 3.03Å; H160-Q440 PolarHBondContact NE2-OE1 3.18Å; V161-Q440 HydrophobicContact CG2-CG 3.85Å; L436-Q440 PolarHBondContact O-N 3.25Å; E437-Q440 WeakPolarHBondContact O-CB 3.43Å; E437-Q440 PolarHBondContact O-N 2.85Å; G438-Q440 VanDerWaalsContact C-N 3.31Å; G438-Q440 PolarHBondContact O-N 2.9Å; Q440-L442 VanDerWaalsContact C-N 3.27Å; Q440-L442 PolarHBondContact O-N 2.91Å; Q440-V443 PolarHBondContact O-N 2.79Å; Q440-E444 HydrophobicContact CG-CG 4.48Å; Q440-E444 WeakPolarHBondContact O-CG 3.46Å; Q440-E444 PolarHBondContact O-N 3.42Å; Q440-W535 HydrophobicContact CB-CD2 4.1Å; Q440-W535 HydrophobicContact CB-CE3 3.9Å; Q440-W535 HydrophobicContact CB-CH2 4.32Å; Q440-W535 HydrophobicContact CB-CZ2 4.49Å; Q440-W535 HydrophobicContact CB-CZ3 4.02Å; Q440-W535 HydrophobicContact CG-CB 4.5Å; Q440-W535 HydrophobicContact CG-CD2 3.56Å; Q440-W535 HydrophobicContact CG-CE3 3.9Å; Q440-W535 HydrophobicContact CG-CG 3.82Å; Q440-W535 HydrophobicContact CG-CZ2 4.21Å; Q440-W535 HydrophobicContact CG-CZ3 4.36Å; Q440-W535 VanDerWaalsContact NE2-CB 3.26Å; Q440-W535 VanDerWaalsContact NE2-CD1 3.3Å
441	V	96.3	Very high	96.7	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.012	6%	0.062	C	C	.	.	H	α-helix	trans	-61.2	-36	177.9	169.8	0	0	0	0	111.8	V161 R164 E168 Y432 E437 G438 T445	V161-V441 HydrophobicContact CG2-CG2 4.11Å; R164-V441 HydrophobicContact CB-CG1 4.31Å; E168-V441 HydrophobicContact CG-CG1 3.9Å; Y432-V441 HydrophobicContact CE1-CB 4.34Å; Y432-V441 HydrophobicContact CE1-CG1 4.36Å; E437-V441 PolarHBondContact O-N 3.4Å; G438-V441 PolarHBondContact O-N 3.09Å; V441-T445 VanDerWaalsContact O-CB 3.24Å; V441-T445 WeakPolarHBondContact O-CB 3.12Å; V441-T445 PolarHBondContact O-N 2.8Å; V441-T445 PolarHBondContact O-OG1 3.37Å
442	L	98.1	Very high	96.8	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.2	-43.6	174.8	-172.2	71.6	0	0	0	112.3	A423 K426 V427 Y433 G438 F439 Q440 D446 W477	A423-L442 HydrophobicContact CB-CD1 4.14Å; A423-L442 HydrophobicContact CB-CD2 4.07Å; A423-L442 HydrophobicContact CB-CG 4.08Å; K426-L442 HydrophobicContact CB-CD1 3.93Å; K426-L442 HydrophobicContact CD-CD1 4.01Å; V427-L442 HydrophobicContact CG2-CD2 3.49Å; V427-L442 VanDerWaalsContact CG2-CD2 3.49Å; Y433-L442 HydrophobicContact CD1-CB 3.86Å; Y433-L442 HydrophobicContact CD1-CD1 3.91Å; Y433-L442 HydrophobicContact CD1-CG 4.38Å; Y433-L442 HydrophobicContact CE1-CD1 4.15Å; Y433-L442 HydrophobicContact CG-CB 4.39Å; Y433-L442 HydrophobicContact CG-CD1 4.1Å; G438-L442 WeakPolarHBondContact O-CB 3.37Å; G438-L442 PolarHBondContact O-N 3.39Å; F439-L442 WeakPolarHBondContact O-CB 3.4Å; F439-L442 PolarHBondContact O-N 2.95Å; Q440-L442 VanDerWaalsContact C-N 3.27Å; Q440-L442 PolarHBondContact O-N 2.91Å; L442-D446 PolarHBondContact O-N 3.43Å; L442-W477 HydrophobicContact CD2-CH2 3.95Å; L442-W477 HydrophobicContact CD2-CZ2 3.8Å
443	V	98.3	Very high	96.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	I	π-helix	trans	-71.3	-42.3	178.4	175.1	0	0	0	0	111.3	F439 Q440 T445 W447 L448 F474 W477 F514 W535	F439-V443 HydrophobicContact CD1-CG2 4.21Å; F439-V443 HydrophobicContact CE1-CG2 3.91Å; F439-V443 HydrophobicContact CZ-CG2 4.48Å; F439-V443 WeakPolarHBondContact O-CG2 3.32Å; F439-V443 PolarHBondContact O-N 2.93Å; F439-V443 VanDerWaalsContact O-N 3.11Å; Q440-V443 PolarHBondContact O-N 2.79Å; V443-T445 VanDerWaalsContact C-N 3.34Å; V443-T445 PolarHBondContact O-N 2.81Å; V443-W447 WeakPolarHBondContact O-CB 3.48Å; V443-W447 PolarHBondContact O-N 3Å; V443-L448 HydrophobicContact CG1-CD1 4.33Å; V443-L448 PolarHBondContact O-N 2.86Å; V443-F474 HydrophobicContact CG1-CE2 4.25Å; V443-F474 HydrophobicContact CG1-CZ 3.87Å; V443-F474 HydrophobicContact CG2-CE2 4.3Å; V443-F474 HydrophobicContact CG2-CZ 4.13Å; V443-W477 HydrophobicContact CG2-CH2 4.16Å; V443-W477 HydrophobicContact CG2-CZ3 4Å; V443-F514 HydrophobicContact CG1-CE1 3.84Å; V443-F514 HydrophobicContact CG1-CZ 4.08Å; V443-W535 HydrophobicContact CB-CH2 3.99Å; V443-W535 HydrophobicContact CB-CZ2 3.93Å; V443-W535 HydrophobicContact CG1-CH2 4.1Å; V443-W535 HydrophobicContact CG1-CZ2 3.82Å; V443-W535 HydrophobicContact CG2-CH2 4.27Å
444	E	96.6	Very high	96.9	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.019	5%	0.053	C	C	.	.	I	π-helix	trans	-62.6	-40.1	175.4	-70.7	-75.7	176	0	0	111.9	V161 Q440 L448 D449 W535	V161-E444 HydrophobicContact CG1-CB 4.03Å; V161-E444 HydrophobicContact CG1-CG 3.75Å; V161-E444 HydrophobicContact CG2-CG 4.17Å; Q440-E444 HydrophobicContact CG-CG 4.48Å; Q440-E444 WeakPolarHBondContact O-CG 3.46Å; Q440-E444 PolarHBondContact O-N 3.42Å; E444-L448 HydrophobicContact CG-CD1 4.48Å; E444-L448 WeakPolarHBondContact O-CB 3.45Å; E444-D449 PolarHBondContact O-N 3.02Å; E444-W535 PolarHBondContact OE1-NE1 3.22Å
445	T	95.4	Very high	96.7	Very high	20 Å²	20	10.4 Å²	10.4	12%	0.123	5%	0.052	C	C	.	.	I	π-helix	trans	-82.1	-67.7	-178.4	-49.5	0	0	0	0	112.3	V441 V443 W447 D449 Y450	V441-T445 VanDerWaalsContact O-CB 3.24Å; V441-T445 WeakPolarHBondContact O-CB 3.12Å; V441-T445 PolarHBondContact O-N 2.8Å; V441-T445 PolarHBondContact O-OG1 3.37Å; V443-T445 VanDerWaalsContact C-N 3.34Å; V443-T445 PolarHBondContact O-N 2.81Å; T445-W447 VanDerWaalsContact C-N 3.34Å; T445-W447 PolarHBondContact O-N 3.15Å; T445-D449 WeakPolarHBondContact O-CB 3.32Å; T445-Y450 HydrophobicContact CG2-CE2 4.43Å; T445-Y450 WeakPolarHBondContact O-CD2 3.5Å; T445-Y450 PolarHBondContact O-N 3.4Å
446	D	97.6	Very high	96.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	I	π-helix	trans	-75.8	-22.3	-166.3	-86.4	-72.5	0	0	0	113.6	R238 P419 V422 A423 K426 L442	R238-D446 IonicContact CZ-OD1 2.72Å; R238-D446 PolarHBondContact NH1-O 2.92Å; R238-D446 IonicContact NH1-OD1 3.24Å; R238-D446 PolarHBondContact NH1-OD1 3.3Å; R238-D446 PolarHBondContact NH2-O 3.21Å; P419-D446 WeakPolarHBondContact CB-O 3.25Å; V422-D446 WeakPolarHBondContact CG1-OD1 3.38Å; A423-D446 HydrophobicContact CB-CB 4.19Å; K426-D446 WeakPolarHBondContact CD-OD2 3.44Å; K426-D446 WeakPolarHBondContact CE-OD2 3.3Å; K426-D446 IonicContact NZ-OD2 3.7Å; K426-D446 PolarHBondContact NZ-OD2 3.39Å; L442-D446 PolarHBondContact O-N 3.43Å
447	W	98.6	Very high	96.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-102.3	-54.9	176.2	-69.4	85	0	0	0	112.9	P419 Q420 V443 T445 G451 H452 F454 V473 F474 W477	P419-W447 HydrophobicContact CB-CD2 4.06Å; P419-W447 HydrophobicContact CB-CE3 4.36Å; P419-W447 HydrophobicContact CB-CG 4.47Å; P419-W447 HydrophobicContact CB-CZ2 4.29Å; P419-W447 HydrophobicContact CG-CE3 4.33Å; P419-W447 HydrophobicContact CG-CZ3 4.34Å; Q420-W447 HydrophobicContact CG-CH2 3.6Å; Q420-W447 HydrophobicContact CG-CZ2 4.01Å; V443-W447 WeakPolarHBondContact O-CB 3.48Å; V443-W447 PolarHBondContact O-N 3Å; T445-W447 VanDerWaalsContact C-N 3.34Å; T445-W447 PolarHBondContact O-N 3.15Å; W447-G451 PolarHBondContact O-N 2.68Å; W447-H452 HydrophobicContact CE3-CB 3.81Å; W447-H452 AromaticContact CE3-CD2 3.71Å; W447-H452 AromaticContact CE3-CG 3.53Å; W447-H452 AromaticContact CE3-ND1 3.99Å; W447-H452 HydrophobicContact CZ3-CB 4.49Å; W447-H452 AromaticContact CZ3-CD2 3.87Å; W447-H452 AromaticContact CZ3-CE1 3.9Å; W447-H452 AromaticContact CZ3-CG 3.79Å; W447-H452 AromaticContact CZ3-ND1 3.8Å; W447-H452 AromaticContact CZ3-NE2 3.94Å; W447-H452 VanDerWaalsContact O-CB 3.25Å; W447-H452 WeakPolarHBondContact O-CB 3.46Å; W447-H452 PolarHBondContact O-N 3.06Å; W447-F454 HydrophobicContact CB-CE2 4.03Å; W447-F454 HydrophobicContact CB-CZ 4.16Å; W447-F454 HydrophobicContact CE3-CZ 4.23Å; W447-V473 HydrophobicContact CH2-CG1 4.22Å; W447-V473 HydrophobicContact CZ3-CG1 4.15Å; W447-F474 AromaticContact CD2-CD2 3.57Å; W447-F474 HydrophobicContact CD2-CD2 3.57Å; W447-F474 AromaticContact CD2-CE2 3.87Å; W447-F474 HydrophobicContact CD2-CE2 3.87Å; W447-F474 AromaticContact CE2-CD2 3.77Å; W447-F474 HydrophobicContact CE3-CB 4.38Å; W447-F474 AromaticContact CE3-CD2 3.58Å; W447-F474 HydrophobicContact CE3-CD2 3.58Å; W447-F474 HydrophobicContact CE3-CE2 4.32Å; W447-F474 HydrophobicContact CE3-CG 4.39Å; W447-F474 HydrophobicContact CG-CD2 4.16Å; W447-F474 AromaticContact CG-CE2 3.99Å; W447-F474 HydrophobicContact CG-CE2 3.99Å; W447-F474 HydrophobicContact CH2-CB 4.47Å; W447-F474 HydrophobicContact CH2-CD2 4.03Å; W447-F474 HydrophobicContact CZ2-CD2 4.03Å; W447-F474 HydrophobicContact CZ3-CB 4.02Å; W447-F474 AromaticContact CZ3-CD2 3.81Å; W447-F474 HydrophobicContact CZ3-CD2 3.81Å; W447-F474 HydrophobicContact CZ3-CG 4.41Å; W447-W477 AromaticContact CE2-CD2 3.93Å; W447-W477 AromaticContact CE2-CE3 3.99Å; W447-W477 HydrophobicContact CH2-CB 3.88Å; W447-W477 HydrophobicContact CH2-CG 4.27Å; W447-W477 HydrophobicContact CZ2-CB 3.54Å; W447-W477 AromaticContact CZ2-CD1 3.98Å; W447-W477 AromaticContact CZ2-CD2 3.66Å; W447-W477 HydrophobicContact CZ2-CD2 3.66Å; W447-W477 HydrophobicContact CZ2-CE3 4.04Å; W447-W477 AromaticContact CZ2-CG 3.43Å; W447-W477 HydrophobicContact CZ2-CG 3.43Å; W447-W477 VanDerWaalsContact CZ2-CG 3.43Å; W447-W477 AromaticContact NE1-CD2 3.74Å; W447-W477 AromaticContact NE1-CE2 3.86Å; W447-W477 AromaticContact NE1-CE3 3.74Å; W447-W477 AromaticContact NE1-CZ3 3.88Å
448	L	97.5	Very high	96.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	I	π-helix	trans	-78.2	-52.5	-170.8	-71.7	167	0	0	0	112.7	V443 E444 G451 F454 T513 F514 R522	V443-L448 HydrophobicContact CG1-CD1 4.33Å; V443-L448 PolarHBondContact O-N 2.86Å; E444-L448 HydrophobicContact CG-CD1 4.48Å; E444-L448 WeakPolarHBondContact O-CB 3.45Å; L448-G451 PolarHBondContact O-N 2.9Å; L448-F454 HydrophobicContact CD2-CD2 3.54Å; L448-F454 HydrophobicContact CD2-CE2 3.5Å; L448-F454 VanDerWaalsContact CD2-CE2 3.5Å; L448-F454 HydrophobicContact CD2-CG 4.49Å; L448-F454 HydrophobicContact CD2-CZ 4.43Å; L448-F454 HydrophobicContact CG-CE2 4.01Å; L448-T513 HydrophobicContact CD1-CG2 3.78Å; L448-T513 WeakPolarHBondContact CD2-O 3.42Å; L448-F514 HydrophobicContact CD1-CE1 4.39Å; L448-F514 HydrophobicContact CD2-CD1 4.19Å; L448-R522 PolarHBondContact O-NH2 3.21Å
449	D	95.9	Very high	96.5	Very high	13 Å²	13	6.9 Å²	6.9	7%	0.07	4%	0.035	C	C	.	.	I	π-helix	trans	-66.9	-45.9	-179.7	-76.4	-29	0	0	0	113.2	R164 P196 E444 T445 G451	R164-D449 IonicContact CZ-OD1 3.61Å; R164-D449 IonicContact CZ-OD2 2.79Å; R164-D449 IonicContact NE-OD2 3.64Å; R164-D449 PolarHBondContact NE-OD2 3.47Å; R164-D449 IonicContact NH2-OD1 3.52Å; R164-D449 PolarHBondContact NH2-OD1 3Å; R164-D449 IonicContact NH2-OD2 3.42Å; R164-D449 PolarHBondContact NH2-OD2 2.9Å; P196-D449 HydrophobicContact CB-CB 4.14Å; P196-D449 HydrophobicContact CG-CB 4.47Å; E444-D449 PolarHBondContact O-N 3.02Å; T445-D449 WeakPolarHBondContact O-CB 3.32Å; D449-G451 PolarHBondContact O-N 2.74Å
450	Y	98	Very high	95.9	Very high	6 Å²	6	7.1 Å²	7.1	2%	0.024	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	11.1	175.7	-82.7	-72.5	0	0	0	113.9	S194 Y195 P196 R221 V224 V226 R238 T445	S194-Y450 CarbonylContact O-C 3.48Å; S194-Y450 VanDerWaalsContact O-C 3.26Å; Y195-Y450 AromaticContact CD1-CD1 3.64Å; Y195-Y450 HydrophobicContact CD1-CD1 3.64Å; Y195-Y450 HydrophobicContact CD1-CE1 4Å; Y195-Y450 HydrophobicContact CD2-CE1 4.24Å; Y195-Y450 AromaticContact CE1-CD1 3.62Å; Y195-Y450 HydrophobicContact CE1-CD1 3.62Å; Y195-Y450 AromaticContact CE1-CE1 3.94Å; Y195-Y450 HydrophobicContact CE1-CE1 3.94Å; Y195-Y450 HydrophobicContact CE2-CE1 4.19Å; Y195-Y450 HydrophobicContact CG-CD1 4.19Å; Y195-Y450 HydrophobicContact CG-CE1 4.14Å; P196-Y450 HydrophobicContact CG-CD1 4.42Å; P196-Y450 HydrophobicContact CG-CD2 4.47Å; P196-Y450 HydrophobicContact CG-CE1 3.94Å; P196-Y450 HydrophobicContact CG-CE2 4.01Å; R221-Y450 PolarHBondContact NH1-O 2.67Å; R221-Y450 PolarHBondContact NH2-O 2.92Å; V224-Y450 HydrophobicContact CG2-CE1 3.68Å; V224-Y450 WeakPolarHBondContact CG2-OH 3.25Å; V226-Y450 HydrophobicContact CG1-CD2 4.43Å; V226-Y450 HydrophobicContact CG1-CE1 4.46Å; V226-Y450 HydrophobicContact CG1-CE2 3.52Å; V226-Y450 WeakPolarHBondContact CG1-OH 3.48Å; R238-Y450 HydrophobicContact CG-CE1 4.45Å; T445-Y450 HydrophobicContact CG2-CE2 4.43Å; T445-Y450 WeakPolarHBondContact O-CD2 3.5Å; T445-Y450 PolarHBondContact O-N 3.4Å
451	G	97.9	Very high	95.3	Very high	1 Å²	1	8 Å²	8	1%	0.01	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	43.5	161.2	0	0	0	0	0	114.7	S194 W415 W447 L448 D449 K453 N517	S194-G451 WeakPolarHBondContact O-CA 3.44Å; S194-G451 PolarHBondContact O-N 2.78Å; W415-G451 WeakPolarHBondContact CB-O 3.18Å; W447-G451 PolarHBondContact O-N 2.68Å; L448-G451 PolarHBondContact O-N 2.9Å; D449-G451 PolarHBondContact O-N 2.74Å; G451-K453 PolarHBondContact O-N 3.44Å; G451-N517 CarbonylContact C-O 3.3Å; G451-N517 WeakPolarHBondContact CA-O 3.21Å
452	H	98.5	Very high	94.4	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.009	5%	0.051	C	C	.	.			trans	-62.2	127.7	159.4	-174.8	64.9	0	0	0	109	W415 D416 W447 F454	W415-H452 PolarHBondContact O-ND1 2.91Å; D416-H452 IonicContact OD1-CE1 2.62Å; D416-H452 PolarHBondContact OD1-CE1 2.74Å; D416-H452 VanDerWaalsContact OD1-CE1 3.25Å; D416-H452 IonicContact OD1-ND1 3.97Å; W447-H452 HydrophobicContact CE3-CB 3.81Å; W447-H452 AromaticContact CE3-CD2 3.71Å; W447-H452 AromaticContact CE3-CG 3.53Å; W447-H452 AromaticContact CE3-ND1 3.99Å; W447-H452 HydrophobicContact CZ3-CB 4.49Å; W447-H452 AromaticContact CZ3-CD2 3.87Å; W447-H452 AromaticContact CZ3-CE1 3.9Å; W447-H452 AromaticContact CZ3-CG 3.79Å; W447-H452 AromaticContact CZ3-ND1 3.8Å; W447-H452 AromaticContact CZ3-NE2 3.94Å; W447-H452 VanDerWaalsContact O-CB 3.25Å; W447-H452 WeakPolarHBondContact O-CB 3.46Å; W447-H452 PolarHBondContact O-N 3.06Å; H452-F454 HydrophobicContact CB-CD2 4.16Å; H452-F454 HydrophobicContact CB-CE2 3.92Å; H452-F454 AromaticContact CD2-CD1 3.99Å; H452-F454 AromaticContact CD2-CD2 3.75Å; H452-F454 AromaticContact CD2-CE1 3.91Å; H452-F454 AromaticContact CD2-CE2 3.68Å; H452-F454 AromaticContact CD2-CG 3.91Å; H452-F454 AromaticContact CD2-CZ 3.76Å; H452-F454 WeakPolarHBondContact O-CD2 3.4Å; H452-F454 PolarHBondContact O-N 3.46Å
453	K	97.1	Very high	92.8	Very high	40 Å²	40	15.7 Å²	15.7	17%	0.174	8%	0.08	C	C	.	.			trans	-73.4	62.3	-173.5	-67.5	175.2	137.4	-136.4	0	112.9	W415 G451 G455 D456 R457 E469 N517	W415-K453 HydrophobicContact CD2-CD 4.34Å; W415-K453 HydrophobicContact CD2-CG 4.41Å; W415-K453 HydrophobicContact CZ2-CD 3.87Å; G451-K453 PolarHBondContact O-N 3.44Å; K453-G455 VanDerWaalsContact C-N 3.28Å; K453-G455 PolarHBondContact O-N 3.29Å; K453-D456 HydrophobicContact CB-CB 4.11Å; K453-D456 WeakPolarHBondContact CD-OD2 3.47Å; K453-D456 WeakPolarHBondContact CE-OD2 3.22Å; K453-D456 IonicContact NZ-OD2 3.39Å; K453-D456 PolarHBondContact NZ-OD2 3.12Å; K453-D456 PolarHBondContact O-N 2.76Å; K453-R457 HydrophobicContact CB-CG 4.14Å; K453-R457 WeakPolarHBondContact O-CB 3.23Å; K453-R457 WeakPolarHBondContact O-CG 3.37Å; K453-R457 PolarHBondContact O-N 2.78Å; K453-E469 IonicContact NZ-OE2 2.74Å; K453-E469 PolarHBondContact NZ-OE2 2.97Å; K453-N517 VanDerWaalsContact CA-OD1 3.25Å; K453-N517 WeakPolarHBondContact CA-OD1 3.42Å; K453-N517 HydrophobicContact CB-CB 4.27Å; K453-N517 WeakPolarHBondContact CB-OD1 3.33Å; K453-N517 HydrophobicContact CG-CB 4.22Å; K453-N517 PolarHBondContact O-OD1 3.07Å
454	F	97.4	Very high	91.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.8	-38.3	-178.1	-78.2	-81.9	0	0	0	113.1	W447 L448 H452 C458 F474 T506 F514	W447-F454 HydrophobicContact CB-CE2 4.03Å; W447-F454 HydrophobicContact CB-CZ 4.16Å; W447-F454 HydrophobicContact CE3-CZ 4.23Å; L448-F454 HydrophobicContact CD2-CD2 3.54Å; L448-F454 HydrophobicContact CD2-CE2 3.5Å; L448-F454 VanDerWaalsContact CD2-CE2 3.5Å; L448-F454 HydrophobicContact CD2-CG 4.49Å; L448-F454 HydrophobicContact CD2-CZ 4.43Å; L448-F454 HydrophobicContact CG-CE2 4.01Å; H452-F454 HydrophobicContact CB-CD2 4.16Å; H452-F454 HydrophobicContact CB-CE2 3.92Å; H452-F454 AromaticContact CD2-CD1 3.99Å; H452-F454 AromaticContact CD2-CD2 3.75Å; H452-F454 AromaticContact CD2-CE1 3.91Å; H452-F454 AromaticContact CD2-CE2 3.68Å; H452-F454 AromaticContact CD2-CG 3.91Å; H452-F454 AromaticContact CD2-CZ 3.76Å; H452-F454 WeakPolarHBondContact O-CD2 3.4Å; H452-F454 PolarHBondContact O-N 3.46Å; F454-C458 WeakPolarHBondContact O-CB 3.21Å; F454-C458 PolarHBondContact O-N 2.69Å; F454-C458 PolarHBondContact O-SG 3.35Å; F454-C458 VanDerWaalsContact O-SG 3.38Å; F454-F474 HydrophobicContact CE1-CB 3.86Å; F454-F474 AromaticContact CE1-CD1 3.69Å; F454-F474 HydrophobicContact CE1-CD1 3.69Å; F454-F474 HydrophobicContact CE1-CD2 4.24Å; F454-F474 HydrophobicContact CE1-CE1 4.22Å; F454-F474 AromaticContact CE1-CG 3.68Å; F454-F474 HydrophobicContact CE1-CG 3.68Å; F454-F474 HydrophobicContact CZ-CB 4.35Å; F454-F474 HydrophobicContact CZ-CD1 4.17Å; F454-F474 HydrophobicContact CZ-CD2 4.01Å; F454-F474 HydrophobicContact CZ-CE1 4.43Å; F454-F474 HydrophobicContact CZ-CE2 4.29Å; F454-F474 AromaticContact CZ-CG 3.94Å; F454-F474 HydrophobicContact CZ-CG 3.94Å; F454-F474 HydrophobicContact CZ-CZ 4.49Å; F454-T506 HydrophobicContact CD1-CG2 4.31Å; F454-T506 HydrophobicContact CE1-CG2 4.31Å; F454-F514 HydrophobicContact CD1-CB 4.11Å; F454-F514 AromaticContact CD1-CD1 3.7Å; F454-F514 HydrophobicContact CD1-CD1 3.7Å; F454-F514 HydrophobicContact CD1-CG 4.28Å; F454-F514 HydrophobicContact CD2-CD1 4.33Å; F454-F514 AromaticContact CE1-CD1 3.39Å; F454-F514 HydrophobicContact CE1-CD1 3.39Å; F454-F514 AromaticContact CE1-CE1 3.87Å; F454-F514 HydrophobicContact CE1-CE1 3.87Å; F454-F514 HydrophobicContact CE1-CG 4.28Å; F454-F514 HydrophobicContact CE2-CD1 4.05Å; F454-F514 HydrophobicContact CE2-CE1 4.44Å; F454-F514 HydrophobicContact CG-CB 4.39Å; F454-F514 HydrophobicContact CG-CD1 4.16Å; F454-F514 AromaticContact CZ-CD1 3.58Å; F454-F514 HydrophobicContact CZ-CD1 3.58Å; F454-F514 AromaticContact CZ-CE1 3.77Å; F454-F514 HydrophobicContact CZ-CE1 3.77Å
455	G	94.3	Very high	89.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.5	-49.8	174.7	0	0	0	0	0	112.8	K453 G459 H460 Q461 C516 N517	K453-G455 VanDerWaalsContact C-N 3.28Å; K453-G455 PolarHBondContact O-N 3.29Å; G455-G459 PolarHBondContact O-N 2.94Å; G455-H460 PolarHBondContact O-N 3.4Å; G455-Q461 PolarHBondContact O-N 3.45Å; G455-Q461 VanDerWaalsContact O-N 3.15Å; G455-C516 PolarHBondContact N-O 3.46Å; G455-N517 VanDerWaalsContact CA-OD1 3.3Å; G455-N517 WeakPolarHBondContact CA-OD1 3.28Å; G455-N517 PolarHBondContact N-OD1 3.46Å
456	D	94.3	Very high	88.6	Confident	31 Å²	31	27.4 Å²	27.4	17%	0.166	15%	0.145	C	C	.	.	H	α-helix	trans	-73.7	-51.5	-179.7	-53.4	-16.7	0	0	0	111.2	K453 C458 G459 E469 Q470 N517	K453-D456 HydrophobicContact CB-CB 4.11Å; K453-D456 WeakPolarHBondContact CD-OD2 3.47Å; K453-D456 WeakPolarHBondContact CE-OD2 3.22Å; K453-D456 IonicContact NZ-OD2 3.39Å; K453-D456 PolarHBondContact NZ-OD2 3.12Å; K453-D456 PolarHBondContact O-N 2.76Å; D456-C458 VanDerWaalsContact C-N 3.27Å; D456-C458 PolarHBondContact O-N 3.44Å; D456-G459 PolarHBondContact O-N 3.23Å; D456-G459 VanDerWaalsContact O-N 3.13Å; D456-E469 HydrophobicContact CB-CB 4.27Å; D456-Q470 WeakPolarHBondContact O-CG 3.46Å; D456-N517 PolarHBondContact N-OD1 2.93Å; D456-N517 PolarHBondContact OD1-ND2 3.4Å; D456-N517 PolarHBondContact OD1-OD1 3.12Å; D456-N517 PolarHBondContact OD2-ND2 3.2Å
457	R	96.2	Very high	87.9	Confident	7 Å²	7	31.2 Å²	31.2	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-31.5	-173.3	-66.8	-78.8	172.7	-82.8	-2.6	112.7	D416 K453 E469 Q470 C471	D416-R457 IonicContact OD1-CZ 2.74Å; D416-R457 IonicContact OD1-NE 2.81Å; D416-R457 PolarHBondContact OD1-NE 3.37Å; D416-R457 IonicContact OD1-NH2 3.13Å; D416-R457 IonicContact OD2-CZ 2.61Å; D416-R457 IonicContact OD2-NE 3.78Å; D416-R457 PolarHBondContact OD2-NE 3.27Å; D416-R457 IonicContact OD2-NH2 3.68Å; D416-R457 PolarHBondContact OD2-NH2 3.06Å; K453-R457 HydrophobicContact CB-CG 4.14Å; K453-R457 WeakPolarHBondContact O-CB 3.23Å; K453-R457 WeakPolarHBondContact O-CG 3.37Å; K453-R457 PolarHBondContact O-N 2.78Å; R457-E469 IonicContact CZ-OE2 3.71Å; R457-E469 PolarHBondContact NH1-O 3.28Å; R457-E469 IonicContact NH1-OE1 2.74Å; R457-E469 PolarHBondContact NH1-OE1 3.11Å; R457-E469 IonicContact NH1-OE2 3.19Å; R457-E469 PolarHBondContact NH1-OE2 2.86Å; R457-E469 IonicContact NH2-OE1 2.76Å; R457-E469 IonicContact NH2-OE2 3.82Å; R457-E469 PolarHBondContact NH2-OE2 2.92Å; R457-Q470 WeakPolarHBondContact O-CA 3.37Å; R457-C471 PolarHBondContact O-N 3.18Å
458	C	94.2	Very high	87.4	Confident	4 Å²	4	33.3 Å²	33.3	3%	0.027	18%	0.182	C	C	.	.	H	α-helix	trans	-98.6	-7.3	177.9	-53.8	0	0	0	0	113.9	K96 F454 D456 H460 Y507	K96-C458 PolarHBondContact NZ-O 3.35Å; F454-C458 WeakPolarHBondContact O-CB 3.21Å; F454-C458 PolarHBondContact O-N 2.69Å; F454-C458 PolarHBondContact O-SG 3.35Å; F454-C458 VanDerWaalsContact O-SG 3.38Å; D456-C458 VanDerWaalsContact C-N 3.27Å; D456-C458 PolarHBondContact O-N 3.44Å; C458-H460 WeakPolarHBondContact CB-CE1 3.47Å; C458-H460 PolarHBondContact O-CD2 3.15Å; C458-H460 PolarHBondContact O-NE2 3.37Å; C458-Y507 HydrophobicContact CB-CD1 3.95Å; C458-Y507 HydrophobicContact CB-CE1 3.86Å
459	G	90.1	Very high	87.1	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.01	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	46.1	-177.8	0	0	0	0	0	113.4	G455 D456	G455-G459 PolarHBondContact O-N 2.94Å; D456-G459 PolarHBondContact O-N 3.23Å; D456-G459 VanDerWaalsContact O-N 3.13Å
460	H	86.1	Confident	87	Confident	5 Å²	5	36.2 Å²	36.2	2%	0.023	20%	0.196	C	C	.	.			trans	-116.7	-8.5	178.4	-53.9	153	0	0	0	113.9	P125 G455 C458 T506	P125-H460 WeakPolarHBondContact CG-O 3.49Å; G455-H460 PolarHBondContact O-N 3.4Å; C458-H460 WeakPolarHBondContact CB-CE1 3.47Å; C458-H460 PolarHBondContact O-CD2 3.15Å; C458-H460 PolarHBondContact O-NE2 3.37Å; H460-T506 PolarHBondContact CE1-O 3.4Å; H460-T506 VanDerWaalsContact CE1-O 3.3Å
461	Q	82.3	Confident	86.9	Confident	31 Å²	31	36.2 Å²	36.2	15%	0.145	20%	0.197	C	C	.	.	S	Bend	trans	-67.2	145	179.2	-160.9	72.8	-30.5	0	0	110.8	G455 N517 E521	G455-Q461 PolarHBondContact O-N 3.45Å; G455-Q461 VanDerWaalsContact O-N 3.15Å; Q461-N517 PolarHBondContact NE2-ND2 2.82Å; Q461-E521 PolarHBondContact NE2-OE2 3.04Å
462	E	78.9	Confident	86.9	Confident	54 Å²	54	36.7 Å²	36.7	25%	0.252	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	134.5	168.5	-63.1	162.9	129.5	0	0	109.2	R127 L128 A464 K525	R127-E462 WeakPolarHBondContact CA-OE1 3.28Å; L128-E462 WeakPolarHBondContact CB-OE1 3.42Å; L128-E462 PolarHBondContact N-OE1 3.12Å; E462-A464 PolarHBondContact O-N 3.33Å; E462-K525 WeakPolarHBondContact OE2-CE 3.01Å; E462-K525 IonicContact OE2-NZ 3.16Å; E462-K525 PolarHBondContact OE2-NZ 3.25Å
463	N	64.5	Low	86.9	Confident	111 Å²	111	36.8 Å²	36.8	59%	0.594	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	59.7	177.6	-52.4	-35.2	0	0	0	112.6	D465	N463-D465 PolarHBondContact O-N 3.39Å
464	A	63.5	Low	86.9	Confident	24 Å²	24	35.1 Å²	35.1	20%	0.198	19%	0.193	C	C	.	.			trans	-71.4	89	178	0	0	0	0	0	111.2	E462 D466	E462-A464 PolarHBondContact O-N 3.33Å; A464-D466 VanDerWaalsContact C-N 3.31Å; A464-D466 PolarHBondContact O-N 3.28Å
465	D	59.3	Low	87	Confident	163 Å²	163	35.2 Å²	35.2	87%	0.872	19%	0.193	S	C	*	.			trans	-60.2	-35.1	-175.5	-57	-43	0	0	0	113.4	N463	N463-D465 PolarHBondContact O-N 3.39Å
466	D	79.2	Confident	87.2	Confident	82 Å²	82	35.4 Å²	35.4	44%	0.439	19%	0.194	S	C	.	.			trans	-118.3	106.9	177.3	-173.9	23.4	0	0	0	113.7	A464 S468 E469	A464-D466 VanDerWaalsContact C-N 3.31Å; A464-D466 PolarHBondContact O-N 3.28Å; D466-S468 PolarHBondContact O-N 2.89Å; D466-S468 WeakPolarHBondContact OD1-CA 3.33Å; D466-S468 WeakPolarHBondContact OD1-CB 3.34Å; D466-S468 PolarHBondContact OD1-N 3.21Å; D466-S468 PolarHBondContact OD1-OG 2.98Å; D466-S468 WeakPolarHBondContact OD2-CB 3.27Å; D466-S468 PolarHBondContact OD2-OG 3.12Å; D466-E469 PolarHBondContact O-N 2.82Å
467	V	82.8	Confident	87.4	Confident	81 Å²	81	33.9 Å²	33.9	49%	0.491	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-65.2	-20.7	170.7	-178.9	0	0	0	0	111.7	E469 Q470	V467-E469 PolarHBondContact O-N 2.89Å; V467-Q470 WeakPolarHBondContact O-CB 3.45Å; V467-Q470 PolarHBondContact O-N 2.91Å; V467-Q470 VanDerWaalsContact O-N 3.11Å
468	S	87.6	Confident	87.5	Confident	43 Å²	43	33.6 Å²	33.6	30%	0.301	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-69.4	-11.4	179.1	109.5	0	0	0	0	114.3	H351 R354 D466	H351-S468 PolarHBondContact ND1-O 3.48Å; R354-S468 VanDerWaalsContact NH1-C 3.34Å; R354-S468 PolarHBondContact NH1-O 3.21Å; R354-S468 PolarHBondContact NH2-O 3.48Å; D466-S468 PolarHBondContact O-N 2.89Å; D466-S468 WeakPolarHBondContact OD1-CA 3.33Å; D466-S468 WeakPolarHBondContact OD1-CB 3.34Å; D466-S468 PolarHBondContact OD1-N 3.21Å; D466-S468 PolarHBondContact OD1-OG 2.98Å; D466-S468 WeakPolarHBondContact OD2-CB 3.27Å; D466-S468 PolarHBondContact OD2-OG 3.12Å
469	E	90.9	Very high	87.8	Confident	44 Å²	44	33.4 Å²	33.4	21%	0.206	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-80.3	-12.6	170.1	-79.5	-76.9	92.6	0	0	113.8	I350 K453 D456 R457 D466 V467 C471	I350-E469 WeakPolarHBondContact CD1-OE1 3.44Å; K453-E469 IonicContact NZ-OE2 2.74Å; K453-E469 PolarHBondContact NZ-OE2 2.97Å; D456-E469 HydrophobicContact CB-CB 4.27Å; R457-E469 IonicContact CZ-OE2 3.71Å; R457-E469 PolarHBondContact NH1-O 3.28Å; R457-E469 IonicContact NH1-OE1 2.74Å; R457-E469 PolarHBondContact NH1-OE1 3.11Å; R457-E469 IonicContact NH1-OE2 3.19Å; R457-E469 PolarHBondContact NH1-OE2 2.86Å; R457-E469 IonicContact NH2-OE1 2.76Å; R457-E469 IonicContact NH2-OE2 3.82Å; R457-E469 PolarHBondContact NH2-OE2 2.92Å; D466-E469 PolarHBondContact O-N 2.82Å; V467-E469 PolarHBondContact O-N 2.89Å; E469-C471 PolarHBondContact O-N 3.13Å
470	Q	93.8	Very high	88.2	Confident	31 Å²	31	33.3 Å²	33.3	15%	0.145	18%	0.183	C	C	.	.			trans	-71.1	125.4	-179.6	-63.8	-169.8	31.8	0	0	111.9	R354 D456 R457 V467	R354-Q470 PolarHBondContact NH1-O 3.1Å; D456-Q470 WeakPolarHBondContact O-CG 3.46Å; R457-Q470 WeakPolarHBondContact O-CA 3.37Å; V467-Q470 WeakPolarHBondContact O-CB 3.45Å; V467-Q470 PolarHBondContact O-N 2.91Å; V467-Q470 VanDerWaalsContact O-N 3.11Å
471	C	95.9	Very high	88.8	Confident	6 Å²	6	33.1 Å²	33.1	4%	0.041	18%	0.182	C	C	.	.			trans	-162.1	138.1	-174.8	-179.2	0	0	0	0	112.8	I350 R457 E469 V473	I350-C471 HydrophobicContact CB-CB 3.86Å; I350-C471 HydrophobicContact CG2-CB 4.34Å; I350-C471 PolarHBondContact O-SG 3.28Å; R457-C471 PolarHBondContact O-N 3.18Å; E469-C471 PolarHBondContact O-N 3.13Å; C471-V473 HydrophobicContact CB-CG2 3.97Å; C471-V473 PolarHBondContact O-N 2.79Å; C471-V473 VanDerWaalsContact SG-CG2 3.5Å
472	P	97.1	Very high	89.6	Confident	10 Å²	10	31.8 Å²	31.8	7%	0.065	18%	0.176	C	C	.	.			trans	-76.1	44	-177.7	33.9	-39.4	0	0	0	114.8	I353 F357 W382 F474 L475 Q476	I353-P472 HydrophobicContact CG2-CG 4.3Å; F357-P472 HydrophobicContact CB-CG 3.83Å; F357-P472 HydrophobicContact CD1-CB 4.31Å; F357-P472 HydrophobicContact CD1-CG 3.81Å; F357-P472 HydrophobicContact CD2-CG 4.27Å; F357-P472 HydrophobicContact CE1-CB 4.43Å; F357-P472 HydrophobicContact CE1-CG 4.41Å; F357-P472 HydrophobicContact CG-CB 4.45Å; F357-P472 HydrophobicContact CG-CG 3.72Å; W382-P472 HydrophobicContact CH2-CG 4.34Å; W382-P472 HydrophobicContact CZ3-CG 4.43Å; P472-F474 PolarHBondContact O-N 2.77Å; P472-L475 HydrophobicContact CB-CB 4.06Å; P472-L475 HydrophobicContact CB-CD2 4.05Å; P472-L475 HydrophobicContact CB-CG 4.42Å; P472-L475 PolarHBondContact O-N 2.76Å; P472-Q476 WeakPolarHBondContact O-CB 3.31Å; P472-Q476 PolarHBondContact O-N 3.49Å
473	V	98.6	Very high	90.5	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-42.1	-173.6	-177.8	0	0	0	0	113	I350 D416 Q420 W447 C471 W477	I350-V473 HydrophobicContact CG2-CG2 4.06Å; D416-V473 HydrophobicContact CB-CG1 4.16Å; Q420-V473 HydrophobicContact CG-CG1 4.17Å; Q420-V473 PolarHBondContact NE2-O 3.35Å; W447-V473 HydrophobicContact CH2-CG1 4.22Å; W447-V473 HydrophobicContact CZ3-CG1 4.15Å; C471-V473 HydrophobicContact CB-CG2 3.97Å; C471-V473 PolarHBondContact O-N 2.79Å; C471-V473 VanDerWaalsContact SG-CG2 3.5Å; V473-W477 PolarHBondContact O-N 2.96Å
474	F	98.8	Very high	92.1	Very high	5 Å²	5	24 Å²	24	2%	0.022	14%	0.136	C	C	.	.	H	α-helix	trans	-74.2	-40.2	177.2	-173.3	-122.5	0	0	0	112.4	V443 W447 F454 P472 Q476 W477 L478 L502 T506 F514	V443-F474 HydrophobicContact CG1-CE2 4.25Å; V443-F474 HydrophobicContact CG1-CZ 3.87Å; V443-F474 HydrophobicContact CG2-CE2 4.3Å; V443-F474 HydrophobicContact CG2-CZ 4.13Å; W447-F474 AromaticContact CD2-CD2 3.57Å; W447-F474 HydrophobicContact CD2-CD2 3.57Å; W447-F474 AromaticContact CD2-CE2 3.87Å; W447-F474 HydrophobicContact CD2-CE2 3.87Å; W447-F474 AromaticContact CE2-CD2 3.77Å; W447-F474 HydrophobicContact CE3-CB 4.38Å; W447-F474 AromaticContact CE3-CD2 3.58Å; W447-F474 HydrophobicContact CE3-CD2 3.58Å; W447-F474 HydrophobicContact CE3-CE2 4.32Å; W447-F474 HydrophobicContact CE3-CG 4.39Å; W447-F474 HydrophobicContact CG-CD2 4.16Å; W447-F474 AromaticContact CG-CE2 3.99Å; W447-F474 HydrophobicContact CG-CE2 3.99Å; W447-F474 HydrophobicContact CH2-CB 4.47Å; W447-F474 HydrophobicContact CH2-CD2 4.03Å; W447-F474 HydrophobicContact CZ2-CD2 4.03Å; W447-F474 HydrophobicContact CZ3-CB 4.02Å; W447-F474 AromaticContact CZ3-CD2 3.81Å; W447-F474 HydrophobicContact CZ3-CD2 3.81Å; W447-F474 HydrophobicContact CZ3-CG 4.41Å; F454-F474 HydrophobicContact CE1-CB 3.86Å; F454-F474 AromaticContact CE1-CD1 3.69Å; F454-F474 HydrophobicContact CE1-CD1 3.69Å; F454-F474 HydrophobicContact CE1-CD2 4.24Å; F454-F474 HydrophobicContact CE1-CE1 4.22Å; F454-F474 AromaticContact CE1-CG 3.68Å; F454-F474 HydrophobicContact CE1-CG 3.68Å; F454-F474 HydrophobicContact CZ-CB 4.35Å; F454-F474 HydrophobicContact CZ-CD1 4.17Å; F454-F474 HydrophobicContact CZ-CD2 4.01Å; F454-F474 HydrophobicContact CZ-CE1 4.43Å; F454-F474 HydrophobicContact CZ-CE2 4.29Å; F454-F474 AromaticContact CZ-CG 3.94Å; F454-F474 HydrophobicContact CZ-CG 3.94Å; F454-F474 HydrophobicContact CZ-CZ 4.49Å; P472-F474 PolarHBondContact O-N 2.77Å; F474-Q476 VanDerWaalsContact C-N 3.31Å; F474-Q476 PolarHBondContact O-N 2.85Å; F474-W477 AromaticContact CD2-CE3 3.92Å; F474-W477 HydrophobicContact CD2-CE3 3.92Å; F474-W477 HydrophobicContact CD2-CZ3 4.45Å; F474-W477 AromaticContact CE2-CE3 3.57Å; F474-W477 HydrophobicContact CE2-CE3 3.57Å; F474-W477 AromaticContact CE2-CZ3 3.65Å; F474-W477 HydrophobicContact CE2-CZ3 3.65Å; F474-W477 HydrophobicContact CZ-CE3 4.41Å; F474-W477 HydrophobicContact CZ-CZ3 4.25Å; F474-W477 WeakPolarHBondContact O-CB 3.4Å; F474-W477 PolarHBondContact O-N 2.74Å; F474-W477 VanDerWaalsContact O-N 3.09Å; F474-L478 HydrophobicContact CD1-CD1 3.94Å; F474-L478 HydrophobicContact CD1-CG 4.43Å; F474-L478 HydrophobicContact CE1-CD1 3.67Å; F474-L478 HydrophobicContact CE1-CG 4.24Å; F474-L478 HydrophobicContact CZ-CD1 4.16Å; F474-L478 HydrophobicContact CZ-CD2 4.21Å; F474-L478 HydrophobicContact CZ-CG 4.3Å; F474-L478 WeakPolarHBondContact O-CG 3.39Å; F474-L478 PolarHBondContact O-N 3.43Å; F474-L502 HydrophobicContact CE1-CD2 4.42Å; F474-L502 HydrophobicContact CE1-CG 4.34Å; F474-L502 HydrophobicContact CZ-CD2 4.2Å; F474-T506 HydrophobicContact CD1-CG2 4.05Å; F474-F514 AromaticContact CE1-CE1 3.77Å; F474-F514 HydrophobicContact CE1-CE1 3.77Å; F474-F514 AromaticContact CE1-CZ 3.82Å; F474-F514 HydrophobicContact CE1-CZ 3.82Å; F474-F514 AromaticContact CZ-CE1 3.99Å; F474-F514 HydrophobicContact CZ-CE1 3.99Å; F474-F514 HydrophobicContact CZ-CZ 4.12Å
475	L	98.6	Very high	93.8	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-59.3	-40.8	173.6	168.7	57.7	0	0	0	111.6	F357 P472 W477 L478 D479 V503 W570 V573 Y574	F357-L475 HydrophobicContact CE1-CD2 4.39Å; F357-L475 HydrophobicContact CE2-CD2 3.86Å; F357-L475 HydrophobicContact CZ-CD2 3.57Å; P472-L475 HydrophobicContact CB-CB 4.06Å; P472-L475 HydrophobicContact CB-CD2 4.05Å; P472-L475 HydrophobicContact CB-CG 4.42Å; P472-L475 PolarHBondContact O-N 2.76Å; L475-W477 VanDerWaalsContact C-N 3.28Å; L475-W477 PolarHBondContact O-N 3.43Å; L475-L478 PolarHBondContact O-N 3.11Å; L475-D479 PolarHBondContact O-N 3.29Å; L475-V503 HydrophobicContact CD1-CB 4.4Å; L475-V503 HydrophobicContact CD1-CG1 3.79Å; L475-V503 HydrophobicContact CD1-CG2 3.64Å; L475-W570 HydrophobicContact CD1-CZ3 4.29Å; L475-V573 HydrophobicContact CD1-CG1 4.36Å; L475-Y574 HydrophobicContact CD1-CE1 4.25Å; L475-Y574 HydrophobicContact CD2-CE1 4.29Å
476	Q	98.7	Very high	95.6	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.014	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-34.9	174.8	-165.4	-168.7	15	0	0	112.9	W382 L386 M389 P472 F474 C480	W382-Q476 HydrophobicContact CH2-CB 3.72Å; W382-Q476 HydrophobicContact CH2-CG 3.76Å; W382-Q476 HydrophobicContact CZ2-CB 4.11Å; W382-Q476 HydrophobicContact CZ2-CG 4.02Å; W382-Q476 HydrophobicContact CZ3-CG 4.29Å; L386-Q476 HydrophobicContact CD2-CG 3.78Å; L386-Q476 WeakPolarHBondContact CD2-O 3.2Å; M389-Q476 HydrophobicContact CE-CB 4.28Å; M389-Q476 VanDerWaalsContact CE-CD 3.41Å; M389-Q476 HydrophobicContact CE-CG 3.62Å; P472-Q476 WeakPolarHBondContact O-CB 3.31Å; P472-Q476 PolarHBondContact O-N 3.49Å; F474-Q476 VanDerWaalsContact C-N 3.31Å; F474-Q476 PolarHBondContact O-N 2.85Å; Q476-C480 PolarHBondContact O-N 2.84Å; Q476-C480 PolarHBondContact O-SG 3.48Å
477	W	98.9	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-74	-41.2	174.6	178.1	75.5	0	0	0	112.1	Q420 A423 F439 L442 V443 W447 V473 F474 L475 D479 C480 V481	Q420-W477 HydrophobicContact CG-CB 4.3Å; A423-W477 HydrophobicContact CB-CZ2 3.65Å; F439-W477 HydrophobicContact CE1-CH2 4.27Å; F439-W477 HydrophobicContact CE1-CZ3 4.28Å; F439-W477 AromaticContact CE2-CH2 3.56Å; F439-W477 HydrophobicContact CE2-CH2 3.56Å; F439-W477 HydrophobicContact CE2-CZ2 4.27Å; F439-W477 HydrophobicContact CE2-CZ3 4.19Å; F439-W477 AromaticContact CZ-CH2 3.41Å; F439-W477 HydrophobicContact CZ-CH2 3.41Å; F439-W477 VanDerWaalsContact CZ-CH2 3.41Å; F439-W477 HydrophobicContact CZ-CZ2 4.45Å; F439-W477 AromaticContact CZ-CZ3 3.58Å; F439-W477 HydrophobicContact CZ-CZ3 3.58Å; L442-W477 HydrophobicContact CD2-CH2 3.95Å; L442-W477 HydrophobicContact CD2-CZ2 3.8Å; V443-W477 HydrophobicContact CG2-CH2 4.16Å; V443-W477 HydrophobicContact CG2-CZ3 4Å; W447-W477 AromaticContact CE2-CD2 3.93Å; W447-W477 AromaticContact CE2-CE3 3.99Å; W447-W477 HydrophobicContact CH2-CB 3.88Å; W447-W477 HydrophobicContact CH2-CG 4.27Å; W447-W477 HydrophobicContact CZ2-CB 3.54Å; W447-W477 AromaticContact CZ2-CD1 3.98Å; W447-W477 AromaticContact CZ2-CD2 3.66Å; W447-W477 HydrophobicContact CZ2-CD2 3.66Å; W447-W477 HydrophobicContact CZ2-CE3 4.04Å; W447-W477 AromaticContact CZ2-CG 3.43Å; W447-W477 HydrophobicContact CZ2-CG 3.43Å; W447-W477 VanDerWaalsContact CZ2-CG 3.43Å; W447-W477 AromaticContact NE1-CD2 3.74Å; W447-W477 AromaticContact NE1-CE2 3.86Å; W447-W477 AromaticContact NE1-CE3 3.74Å; W447-W477 AromaticContact NE1-CZ3 3.88Å; V473-W477 PolarHBondContact O-N 2.96Å; F474-W477 AromaticContact CD2-CE3 3.92Å; F474-W477 HydrophobicContact CD2-CE3 3.92Å; F474-W477 HydrophobicContact CD2-CZ3 4.45Å; F474-W477 AromaticContact CE2-CE3 3.57Å; F474-W477 HydrophobicContact CE2-CE3 3.57Å; F474-W477 AromaticContact CE2-CZ3 3.65Å; F474-W477 HydrophobicContact CE2-CZ3 3.65Å; F474-W477 HydrophobicContact CZ-CE3 4.41Å; F474-W477 HydrophobicContact CZ-CZ3 4.25Å; F474-W477 WeakPolarHBondContact O-CB 3.4Å; F474-W477 PolarHBondContact O-N 2.74Å; F474-W477 VanDerWaalsContact O-N 3.09Å; L475-W477 VanDerWaalsContact C-N 3.28Å; L475-W477 PolarHBondContact O-N 3.43Å; W477-D479 VanDerWaalsContact C-N 3.27Å; W477-D479 PolarHBondContact O-N 3.35Å; W477-C480 CarbonylContact O-C 3.59Å; W477-C480 WeakPolarHBondContact O-CA 3.24Å; W477-C480 WeakPolarHBondContact O-CB 3.48Å; W477-C480 PolarHBondContact O-N 3.45Å; W477-V481 HydrophobicContact CD2-CG2 4.15Å; W477-V481 HydrophobicContact CE3-CG2 4.42Å; W477-V481 HydrophobicContact CH2-CG2 4.17Å; W477-V481 HydrophobicContact CZ2-CG2 3.87Å; W477-V481 HydrophobicContact CZ3-CG2 4.44Å; W477-V481 WeakPolarHBondContact O-CG2 3.28Å; W477-V481 PolarHBondContact O-N 2.81Å
478	L	98.9	Very high	97.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-32.7	174.7	-66.8	178.9	0	0	0	112.3	F439 F474 L475 V481 H482 L499 L502 V503 W570	F439-L478 HydrophobicContact CE1-CD2 4.32Å; F439-L478 HydrophobicContact CZ-CD2 3.94Å; F474-L478 HydrophobicContact CD1-CD1 3.94Å; F474-L478 HydrophobicContact CD1-CG 4.43Å; F474-L478 HydrophobicContact CE1-CD1 3.67Å; F474-L478 HydrophobicContact CE1-CG 4.24Å; F474-L478 HydrophobicContact CZ-CD1 4.16Å; F474-L478 HydrophobicContact CZ-CD2 4.21Å; F474-L478 HydrophobicContact CZ-CG 4.3Å; F474-L478 WeakPolarHBondContact O-CG 3.39Å; F474-L478 PolarHBondContact O-N 3.43Å; L475-L478 PolarHBondContact O-N 3.11Å; L478-V481 PolarHBondContact O-N 2.78Å; L478-H482 PolarHBondContact O-N 2.92Å; L478-L499 HydrophobicContact CD2-CD2 4.2Å; L478-L502 HydrophobicContact CD1-CB 4.32Å; L478-L502 HydrophobicContact CD1-CD2 4.15Å; L478-L502 HydrophobicContact CD1-CG 4.21Å; L478-L502 HydrophobicContact CD2-CD2 3.85Å; L478-V503 HydrophobicContact CB-CG2 4.23Å; L478-V503 HydrophobicContact CD1-CG2 3.63Å; L478-W570 HydrophobicContact CB-CH2 4.25Å; L478-W570 HydrophobicContact CB-CZ3 4.05Å
479	D	98.8	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.5	-46.6	169.3	-168.2	-15.4	0	0	0	110.7	W382 L386 L475 W477 V481 H482 Q483 W570 Y574	W382-D479 PolarHBondContact NE1-OD2 3.31Å; L386-D479 HydrophobicContact CD1-CB 4.33Å; L386-D479 VanDerWaalsContact CD1-CG 3.46Å; L386-D479 WeakPolarHBondContact CD1-OD2 3.41Å; L386-D479 HydrophobicContact CD2-CB 4.04Å; L475-D479 PolarHBondContact O-N 3.29Å; W477-D479 VanDerWaalsContact C-N 3.27Å; W477-D479 PolarHBondContact O-N 3.35Å; D479-V481 VanDerWaalsContact C-N 3.29Å; D479-V481 PolarHBondContact O-N 2.97Å; D479-H482 CarbonylContact O-C 3.57Å; D479-H482 WeakPolarHBondContact O-CA 3.31Å; D479-H482 WeakPolarHBondContact O-CB 3.4Å; D479-H482 PolarHBondContact O-N 2.95Å; D479-H482 IonicContact OD1-ND1 3.9Å; D479-Q483 WeakPolarHBondContact O-CG 3.47Å; D479-Q483 PolarHBondContact O-N 3Å; D479-Q483 PolarHBondContact OD1-NE2 3.23Å; D479-W570 HydrophobicContact CB-CE3 3.99Å; D479-W570 HydrophobicContact CB-CZ3 4.42Å; D479-Y574 WeakPolarHBondContact OD2-CE2 3.39Å; D479-Y574 PolarHBondContact OD2-OH 3.24Å
480	C	98.9	Very high	97.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.5	-37.7	173.1	-67.3	0	0	0	0	113	M389 L390 L424 Q476 W477 Q483 L484	M389-C480 HydrophobicContact SD-CB 4.22Å; L390-C480 HydrophobicContact CD2-CB 4.36Å; L390-C480 HydrophobicContact CG-CB 4.32Å; L424-C480 HydrophobicContact CD1-CB 4.2Å; L424-C480 HydrophobicContact CD2-CB 3.92Å; Q476-C480 PolarHBondContact O-N 2.84Å; Q476-C480 PolarHBondContact O-SG 3.48Å; W477-C480 CarbonylContact O-C 3.59Å; W477-C480 WeakPolarHBondContact O-CA 3.24Å; W477-C480 WeakPolarHBondContact O-CB 3.48Å; W477-C480 PolarHBondContact O-N 3.45Å; C480-Q483 WeakPolarHBondContact O-CB 3.22Å; C480-Q483 PolarHBondContact O-N 2.76Å; C480-L484 WeakPolarHBondContact O-CG 3.48Å; C480-L484 PolarHBondContact O-N 3.01Å; C480-L484 VanDerWaalsContact O-N 3.12Å
481	V	98.9	Very high	98	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.4	-38.3	173.3	178.4	0	0	0	0	111.4	L424 F439 W477 L478 D479 L484 L485 F494 L499	L424-V481 HydrophobicContact CD1-CG2 4.38Å; F439-V481 HydrophobicContact CE2-CG1 3.8Å; F439-V481 HydrophobicContact CE2-CG2 4.09Å; F439-V481 HydrophobicContact CZ-CG1 4.16Å; F439-V481 HydrophobicContact CZ-CG2 4.35Å; W477-V481 HydrophobicContact CD2-CG2 4.15Å; W477-V481 HydrophobicContact CE3-CG2 4.42Å; W477-V481 HydrophobicContact CH2-CG2 4.17Å; W477-V481 HydrophobicContact CZ2-CG2 3.87Å; W477-V481 HydrophobicContact CZ3-CG2 4.44Å; W477-V481 WeakPolarHBondContact O-CG2 3.28Å; W477-V481 PolarHBondContact O-N 2.81Å; L478-V481 PolarHBondContact O-N 2.78Å; D479-V481 VanDerWaalsContact C-N 3.29Å; D479-V481 PolarHBondContact O-N 2.97Å; V481-L484 PolarHBondContact O-N 3.21Å; V481-L485 PolarHBondContact O-N 3.42Å; V481-F494 HydrophobicContact CG1-CE2 3.92Å; V481-F494 HydrophobicContact CG1-CZ 3.89Å; V481-L499 HydrophobicContact CG1-CD1 4.09Å; V481-L499 HydrophobicContact CG1-CD2 3.92Å
482	H	98.7	Very high	98	Very high	3 Å²	3	18.2 Å²	18.2	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-58.9	-45.1	169.2	156.6	-91.1	0	0	0	111.1	L478 D479 L484 L485 K486 E496 L499 W570	L478-H482 PolarHBondContact O-N 2.92Å; D479-H482 CarbonylContact O-C 3.57Å; D479-H482 WeakPolarHBondContact O-CA 3.31Å; D479-H482 WeakPolarHBondContact O-CB 3.4Å; D479-H482 PolarHBondContact O-N 2.95Å; D479-H482 IonicContact OD1-ND1 3.9Å; H482-L484 VanDerWaalsContact C-N 3.27Å; H482-L484 PolarHBondContact O-N 2.86Å; H482-L485 WeakPolarHBondContact O-CB 3.38Å; H482-L485 PolarHBondContact O-N 3.34Å; H482-L485 VanDerWaalsContact O-N 3.07Å; H482-K486 WeakPolarHBondContact NE2-CG 3.45Å; H482-K486 VanDerWaalsContact O-CG 3.3Å; H482-K486 WeakPolarHBondContact O-CG 3.48Å; H482-K486 PolarHBondContact O-N 3.02Å; H482-E496 IonicContact CD2-OE1 3.23Å; H482-L499 HydrophobicContact CB-CD1 4.14Å; H482-W570 HydrophobicContact CB-CD2 3.97Å; H482-W570 HydrophobicContact CB-CE3 4.23Å; H482-W570 HydrophobicContact CB-CG 4.4Å; H482-W570 HydrophobicContact CB-CH2 4.46Å; H482-W570 HydrophobicContact CB-CZ2 4.2Å; H482-W570 HydrophobicContact CB-CZ3 4.46Å; H482-W570 AromaticContact CD2-CD1 3.39Å; H482-W570 AromaticContact CD2-CE2 3.92Å; H482-W570 AromaticContact CD2-CG 3.89Å; H482-W570 AromaticContact CD2-NE1 3.42Å; H482-W570 PolarHBondContact CD2-NE1 2.98Å; H482-W570 AromaticContact CE1-CD1 3.79Å; H482-W570 AromaticContact CE1-CG 3.9Å; H482-W570 AromaticContact CG-CD1 3.75Å; H482-W570 AromaticContact CG-CD2 3.86Å; H482-W570 AromaticContact CG-CE2 3.92Å; H482-W570 AromaticContact CG-CG 3.77Å; H482-W570 AromaticContact CG-NE1 3.85Å; H482-W570 AromaticContact ND1-CD1 3.98Å; H482-W570 AromaticContact ND1-CG 3.77Å; H482-W570 AromaticContact NE2-CD1 3.44Å; H482-W570 AromaticContact NE2-CG 3.99Å; H482-W570 AromaticContact NE2-NE1 3.94Å
483	Q	98.7	Very high	98	Very high	3 Å²	3	19.4 Å²	19.4	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-57.2	-40.1	175.8	-55.1	-52.8	-47.5	0	0	111.8	L386 L390 D479 C480 K486 Q487 L567 Q568	L386-Q483 HydrophobicContact CD1-CG 4.47Å; L390-Q483 HydrophobicContact CD1-CB 4.23Å; L390-Q483 HydrophobicContact CD1-CG 4.35Å; D479-Q483 WeakPolarHBondContact O-CG 3.47Å; D479-Q483 PolarHBondContact O-N 3Å; D479-Q483 PolarHBondContact OD1-NE2 3.23Å; C480-Q483 WeakPolarHBondContact O-CB 3.22Å; C480-Q483 PolarHBondContact O-N 2.76Å; Q483-K486 PolarHBondContact O-N 3.44Å; Q483-Q487 WeakPolarHBondContact O-CG 3.35Å; Q483-Q487 PolarHBondContact O-N 3.43Å; Q483-Q487 VanDerWaalsContact O-N 3.11Å; Q483-L567 HydrophobicContact CB-CD2 4.29Å; Q483-L567 HydrophobicContact CG-CD2 4.15Å; Q483-Q568 PolarHBondContact NE2-O 3.14Å; Q483-Q568 PolarHBondContact OE1-O 3.27Å
484	L	98.6	Very high	98	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.2	-43.3	173.9	-61.4	-176.3	0	0	0	112.4	L390 L424 V427 L428 C480 V481 H482 K486 Q487 F488 F492 P560	L390-L484 HydrophobicContact CD2-CD2 3.88Å; L390-L484 HydrophobicContact CD2-CG 4.31Å; L424-L484 HydrophobicContact CD1-CD1 3.62Å; L424-L484 HydrophobicContact CD1-CG 4.41Å; V427-L484 HydrophobicContact CG1-CD1 3.78Å; L428-L484 HydrophobicContact CD2-CD1 3.67Å; L428-L484 HydrophobicContact CD2-CD2 3.75Å; L428-L484 HydrophobicContact CD2-CG 4.39Å; C480-L484 WeakPolarHBondContact O-CG 3.48Å; C480-L484 PolarHBondContact O-N 3.01Å; C480-L484 VanDerWaalsContact O-N 3.12Å; V481-L484 PolarHBondContact O-N 3.21Å; H482-L484 VanDerWaalsContact C-N 3.27Å; H482-L484 PolarHBondContact O-N 2.86Å; L484-K486 VanDerWaalsContact C-N 3.28Å; L484-K486 PolarHBondContact O-N 3.1Å; L484-Q487 PolarHBondContact O-N 3.32Å; L484-F488 HydrophobicContact CD2-CE2 4.29Å; L484-F488 WeakPolarHBondContact O-CD2 3.3Å; L484-F488 PolarHBondContact O-N 2.92Å; L484-F492 HydrophobicContact CB-CE2 3.91Å; L484-F492 HydrophobicContact CB-CZ 3.7Å; L484-F492 HydrophobicContact CD1-CZ 4.34Å; L484-P560 HydrophobicContact CD2-CB 3.57Å; L484-P560 HydrophobicContact CD2-CG 3.89Å
485	L	97.6	Very high	97.9	Very high	14 Å²	14	20.6 Å²	20.6	7%	0.073	11%	0.107	C	C	.	.	H	α-helix	trans	-60	-38	176.8	180	65.1	0	0	0	111.9	V481 H482 F488 P489 F492 E496 L499	V481-L485 PolarHBondContact O-N 3.42Å; H482-L485 WeakPolarHBondContact O-CB 3.38Å; H482-L485 PolarHBondContact O-N 3.34Å; H482-L485 VanDerWaalsContact O-N 3.07Å; L485-F488 CarbonylContact O-C 3.57Å; L485-P489 WeakPolarHBondContact O-CA 3.39Å; L485-F492 HydrophobicContact CB-CD2 4.43Å; L485-F492 HydrophobicContact CD1-CB 3.67Å; L485-F492 HydrophobicContact CD1-CD2 4Å; L485-F492 HydrophobicContact CD1-CG 4.03Å; L485-E496 HydrophobicContact CD2-CB 4.17Å; L485-L499 HydrophobicContact CD2-CD1 3.96Å
486	K	97.5	Very high	97.9	Very high	97 Å²	97	22.9 Å²	22.9	42%	0.422	12%	0.118	S	C	.	.	H	α-helix	trans	-71.1	-34.4	176	-59.1	-66	-82.1	-157.6	0	112.8	H482 Q483 L484 E496 Q568	H482-K486 WeakPolarHBondContact NE2-CG 3.45Å; H482-K486 VanDerWaalsContact O-CG 3.3Å; H482-K486 WeakPolarHBondContact O-CG 3.48Å; H482-K486 PolarHBondContact O-N 3.02Å; Q483-K486 PolarHBondContact O-N 3.44Å; L484-K486 VanDerWaalsContact C-N 3.28Å; L484-K486 PolarHBondContact O-N 3.1Å; K486-E496 IonicContact NZ-OE2 2.78Å; K486-Q568 VanDerWaalsContact CE-OE1 3.31Å
487	Q	97.5	Very high	97.8	Very high	53 Å²	53	25 Å²	25	25%	0.248	14%	0.135	C	C	.	.	H	α-helix	trans	-81.1	-27.2	178	-69.2	-177.6	20.9	0	0	113.1	Q483 L484 V561	Q483-Q487 WeakPolarHBondContact O-CG 3.35Å; Q483-Q487 PolarHBondContact O-N 3.43Å; Q483-Q487 VanDerWaalsContact O-N 3.11Å; L484-Q487 PolarHBondContact O-N 3.32Å; Q487-V561 PolarHBondContact NE2-O 3.44Å
488	F	97	Very high	97.7	Very high	44 Å²	44	25 Å²	25	19%	0.193	14%	0.136	C	C	.	.			trans	-129.8	60.6	-175.7	-54.6	-71.4	0	0	0	112.4	L484 L485 C490 L491 F492 L558 P560	L484-F488 HydrophobicContact CD2-CE2 4.29Å; L484-F488 WeakPolarHBondContact O-CD2 3.3Å; L484-F488 PolarHBondContact O-N 2.92Å; L485-F488 CarbonylContact O-C 3.57Å; F488-C490 PolarHBondContact O-N 3.13Å; F488-L491 HydrophobicContact CB-CB 4.22Å; F488-L491 HydrophobicContact CB-CD1 4.24Å; F488-L491 HydrophobicContact CB-CG 4.46Å; F488-L491 HydrophobicContact CD1-CD1 4.34Å; F488-L491 PolarHBondContact O-N 3.45Å; F488-F492 HydrophobicContact CB-CE2 4.26Å; F488-L558 HydrophobicContact CB-CD2 4.44Å; F488-L558 HydrophobicContact CD1-CD2 4.09Å; F488-L558 HydrophobicContact CD2-CB 4.36Å; F488-L558 HydrophobicContact CD2-CD1 3.96Å; F488-L558 HydrophobicContact CD2-CD2 4.21Å; F488-L558 HydrophobicContact CD2-CG 4.41Å; F488-L558 HydrophobicContact CE1-CD2 4.43Å; F488-L558 HydrophobicContact CE2-CB 4.04Å; F488-L558 HydrophobicContact CE2-CD1 4.43Å; F488-L558 HydrophobicContact CG-CD1 4.39Å; F488-L558 HydrophobicContact CG-CD2 3.98Å; F488-L558 HydrophobicContact CZ-CB 4.29Å; F488-P560 HydrophobicContact CE2-CB 4.15Å
489	P	96	Very high	97.7	Very high	59 Å²	59	25 Å²	25	38%	0.383	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.5	-166.9	25.6	-36.5	0	0	0	115.5	L485 N547	L485-P489 WeakPolarHBondContact O-CA 3.39Å; P489-N547 PolarHBondContact O-ND2 3.29Å
490	C	96.6	Very high	97.6	Very high	53 Å²	53	26 Å²	26	36%	0.358	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-1.5	179.3	-51.5	0	0	0	0	114	F488 L549 Y550 V551	F488-C490 PolarHBondContact O-N 3.13Å; C490-L549 VanDerWaalsContact CA-O 3.28Å; C490-L549 WeakPolarHBondContact CA-O 3.18Å; C490-L549 VanDerWaalsContact CB-O 3.28Å; C490-L549 WeakPolarHBondContact CB-O 3.37Å; C490-Y550 WeakPolarHBondContact O-CA 3.44Å; C490-V551 HydrophobicContact CB-CG2 4.35Å; C490-V551 PolarHBondContact O-N 3.25Å
491	L	97.1	Very high	97.4	Very high	31 Å²	31	29.5 Å²	29.5	16%	0.162	16%	0.156	C	C	.	.	S	Bend	trans	-110.2	8.9	-170.1	-59.4	-178	0	0	0	114.4	R434 F488 H554 L558	R434-L491 VanDerWaalsContact CB-O 3.3Å; R434-L491 WeakPolarHBondContact CB-O 3.46Å; R434-L491 WeakPolarHBondContact CD-O 3.34Å; F488-L491 HydrophobicContact CB-CB 4.22Å; F488-L491 HydrophobicContact CB-CD1 4.24Å; F488-L491 HydrophobicContact CB-CG 4.46Å; F488-L491 HydrophobicContact CD1-CD1 4.34Å; F488-L491 PolarHBondContact O-N 3.45Å; L491-H554 HydrophobicContact CD2-CB 3.88Å; L491-L558 HydrophobicContact CB-CD2 4.45Å; L491-L558 HydrophobicContact CD1-CD2 3.51Å
492	F	97.6	Very high	97.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.			trans	-124.7	133.4	173.9	-69.7	-87	0	0	0	110.2	V427 R434 L484 L485 F488 F494 N547 Y550 L558	V427-F492 HydrophobicContact CG1-CE1 3.64Å; V427-F492 HydrophobicContact CG1-CZ 3.82Å; R434-F492 HydrophobicContact CB-CD1 3.67Å; R434-F492 HydrophobicContact CB-CE1 4.02Å; R434-F492 HydrophobicContact CB-CG 4.34Å; R434-F492 HydrophobicContact CG-CD1 4.03Å; R434-F492 HydrophobicContact CG-CE1 3.83Å; R434-F492 HydrophobicContact CG-CZ 4.45Å; L484-F492 HydrophobicContact CB-CE2 3.91Å; L484-F492 HydrophobicContact CB-CZ 3.7Å; L484-F492 HydrophobicContact CD1-CZ 4.34Å; L485-F492 HydrophobicContact CB-CD2 4.43Å; L485-F492 HydrophobicContact CD1-CB 3.67Å; L485-F492 HydrophobicContact CD1-CD2 4Å; L485-F492 HydrophobicContact CD1-CG 4.03Å; F488-F492 HydrophobicContact CB-CE2 4.26Å; F492-F494 HydrophobicContact CB-CE2 4.49Å; F492-F494 AromaticContact CD1-CE1 3.78Å; F492-F494 HydrophobicContact CD1-CE1 3.78Å; F492-F494 AromaticContact CD1-CE2 3.9Å; F492-F494 HydrophobicContact CD1-CE2 3.9Å; F492-F494 AromaticContact CD1-CZ 3.35Å; F492-F494 HydrophobicContact CD1-CZ 3.35Å; F492-F494 HydrophobicContact CE1-CE1 4.5Å; F492-F494 AromaticContact CE1-CZ 3.87Å; F492-F494 HydrophobicContact CE1-CZ 3.87Å; F492-F494 HydrophobicContact CG-CE2 4.44Å; F492-F494 HydrophobicContact CG-CZ 4.28Å; F492-N547 WeakPolarHBondContact O-CB 3.17Å; F492-N547 PolarHBondContact O-ND2 3.12Å; F492-Y550 WeakPolarHBondContact O-CB 3.47Å; F492-Y550 WeakPolarHBondContact O-CD2 3.44Å; F492-L558 HydrophobicContact CE2-CD1 4.12Å; F492-L558 HydrophobicContact CZ-CD1 3.97Å
493	E	97.1	Very high	97.3	Very high	36 Å²	36	29.4 Å²	29.4	17%	0.168	16%	0.156	C	C	.	.	S	Bend	trans	-76.3	-29.2	177.3	-170.3	-177.7	-159.1	0	0	112.1	R434 T435 L436 Q546 N547 Y550	R434-E493 PolarHBondContact O-N 2.96Å; T435-E493 WeakPolarHBondContact CA-OE2 3.47Å; T435-E493 WeakPolarHBondContact CB-OE2 3.41Å; L436-E493 HydrophobicContact CD1-CG 3.89Å; L436-E493 HydrophobicContact CG-CB 4.45Å; L436-E493 HydrophobicContact CG-CG 4.15Å; L436-E493 PolarHBondContact N-OE2 2.79Å; E493-Q546 HydrophobicContact CG-CG 4.47Å; E493-Q546 CarbonylContact O-C 3.55Å; E493-Q546 WeakPolarHBondContact O-CA 3.33Å; E493-N547 WeakPolarHBondContact O-CB 3.42Å; E493-N547 PolarHBondContact O-N 3.39Å; E493-Y550 HydrophobicContact CB-CD1 3.65Å; E493-Y550 HydrophobicContact CB-CD2 4.31Å; E493-Y550 HydrophobicContact CB-CE1 3.73Å; E493-Y550 HydrophobicContact CB-CE2 4.39Å; E493-Y550 HydrophobicContact CB-CG 3.95Å; E493-Y550 HydrophobicContact CG-CD1 3.7Å; E493-Y550 HydrophobicContact CG-CE1 3.95Å; E493-Y550 HydrophobicContact CG-CG 4.34Å
494	F	97.9	Very high	97.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-86.7	146.9	175.7	57.3	-99.2	0	0	0	111.9	L436 F439 V481 F492 F498 L499 F545	L436-F494 HydrophobicContact CD2-CB 3.64Å; L436-F494 HydrophobicContact CG-CB 4.19Å; F439-F494 HydrophobicContact CB-CD1 4.06Å; F439-F494 HydrophobicContact CB-CE1 3.66Å; F439-F494 HydrophobicContact CD1-CE1 4.43Å; F439-F494 HydrophobicContact CD2-CD1 4.48Å; F439-F494 AromaticContact CD2-CE1 3.45Å; F439-F494 HydrophobicContact CD2-CE1 3.45Å; F439-F494 VanDerWaalsContact CD2-CE1 3.45Å; F439-F494 AromaticContact CD2-CZ 3.52Å; F439-F494 HydrophobicContact CD2-CZ 3.52Å; F439-F494 HydrophobicContact CE2-CE1 4.18Å; F439-F494 AromaticContact CE2-CZ 3.78Å; F439-F494 HydrophobicContact CE2-CZ 3.78Å; F439-F494 HydrophobicContact CG-CD1 4.23Å; F439-F494 AromaticContact CG-CE1 3.58Å; F439-F494 HydrophobicContact CG-CE1 3.58Å; F439-F494 HydrophobicContact CG-CZ 4.02Å; F439-F494 HydrophobicContact CZ-CZ 4.46Å; V481-F494 HydrophobicContact CG1-CE2 3.92Å; V481-F494 HydrophobicContact CG1-CZ 3.89Å; F492-F494 HydrophobicContact CB-CE2 4.49Å; F492-F494 AromaticContact CD1-CE1 3.78Å; F492-F494 HydrophobicContact CD1-CE1 3.78Å; F492-F494 AromaticContact CD1-CE2 3.9Å; F492-F494 HydrophobicContact CD1-CE2 3.9Å; F492-F494 AromaticContact CD1-CZ 3.35Å; F492-F494 HydrophobicContact CD1-CZ 3.35Å; F492-F494 HydrophobicContact CE1-CE1 4.5Å; F492-F494 AromaticContact CE1-CZ 3.87Å; F492-F494 HydrophobicContact CE1-CZ 3.87Å; F492-F494 HydrophobicContact CG-CE2 4.44Å; F492-F494 HydrophobicContact CG-CZ 4.28Å; F494-F498 HydrophobicContact CB-CB 3.97Å; F494-F498 HydrophobicContact CB-CD1 3.62Å; F494-F498 HydrophobicContact CB-CD2 4.2Å; F494-F498 HydrophobicContact CB-CE1 4.06Å; F494-F498 HydrophobicContact CB-CG 3.7Å; F494-F498 HydrophobicContact CD1-CD1 4.49Å; F494-F498 HydrophobicContact CD1-CE1 4.23Å; F494-F498 AromaticContact CD2-CD1 3.83Å; F494-F498 HydrophobicContact CD2-CD1 3.83Å; F494-F498 HydrophobicContact CD2-CE1 4.25Å; F494-F498 AromaticContact CG-CD1 3.74Å; F494-F498 HydrophobicContact CG-CD1 3.74Å; F494-F498 AromaticContact CG-CE1 3.93Å; F494-F498 HydrophobicContact CG-CE1 3.93Å; F494-F498 HydrophobicContact CG-CG 4.34Å; F494-L499 HydrophobicContact CD2-CD2 4.13Å; F494-L499 HydrophobicContact CD2-CG 4.11Å; F494-L499 HydrophobicContact CE2-CD1 4.15Å; F494-L499 HydrophobicContact CE2-CD2 3.76Å; F494-L499 HydrophobicContact CE2-CG 4.03Å; F494-F545 WeakPolarHBondContact CA-O 3.35Å
495	N	97.3	Very high	97.1	Very high	33 Å²	33	32.4 Å²	32.4	18%	0.176	17%	0.17	C	C	.	.			trans	-97.4	-179.7	177.8	69.2	30.1	0	0	0	112.7	A497 F498 N544 F545 Q546 N547	N495-A497 VanDerWaalsContact C-N 3.29Å; N495-A497 PolarHBondContact O-N 3.47Å; N495-A497 WeakPolarHBondContact OD1-CA 3.4Å; N495-A497 WeakPolarHBondContact OD1-CB 3.27Å; N495-A497 PolarHBondContact OD1-N 3.33Å; N495-F498 WeakPolarHBondContact O-CB 3.43Å; N495-F498 PolarHBondContact O-N 3.37Å; N495-F498 PolarHBondContact OD1-N 2.74Å; N495-F498 VanDerWaalsContact OD1-N 3.15Å; N495-N544 PolarHBondContact ND2-O 3.5Å; N495-F545 PolarHBondContact N-O 3.39Å; N495-F545 VanDerWaalsContact ND2-C 3.27Å; N495-F545 WeakPolarHBondContact ND2-CA 3.2Å; N495-F545 PolarHBondContact ND2-O 3.32Å; N495-Q546 PolarHBondContact ND2-O 3.29Å; N495-N547 HydrophobicContact CB-CB 4.21Å
496	E	96.9	Very high	97.1	Very high	52 Å²	52	31.9 Å²	31.9	24%	0.243	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-33.1	-179.4	-171.6	175.5	165.9	0	0	112.6	H482 L485 K486 F498 L499 V500 W570 A572	H482-E496 IonicContact CD2-OE1 3.23Å; L485-E496 HydrophobicContact CD2-CB 4.17Å; K486-E496 IonicContact NZ-OE2 2.78Å; E496-F498 VanDerWaalsContact C-N 3.29Å; E496-F498 PolarHBondContact O-N 2.76Å; E496-L499 PolarHBondContact O-N 2.91Å; E496-V500 HydrophobicContact CG-CG2 4.23Å; E496-V500 WeakPolarHBondContact O-CG2 3.39Å; E496-V500 PolarHBondContact O-N 2.95Å; E496-W570 VanDerWaalsContact OE1-CD1 3.26Å; E496-W570 PolarHBondContact OE1-NE1 2.9Å; E496-A572 VanDerWaalsContact OE1-CB 3.22Å; E496-A572 WeakPolarHBondContact OE1-CB 3.32Å
497	A	96.5	Very high	97	Very high	47 Å²	47	27.6 Å²	27.6	39%	0.388	15%	0.149	S	C	.	.	H	α-helix	trans	-66.1	-30.5	179.8	0	0	0	0	0	112.6	N495 K501 F545	N495-A497 VanDerWaalsContact C-N 3.29Å; N495-A497 PolarHBondContact O-N 3.47Å; N495-A497 WeakPolarHBondContact OD1-CA 3.4Å; N495-A497 WeakPolarHBondContact OD1-CB 3.27Å; N495-A497 PolarHBondContact OD1-N 3.33Å; A497-K501 WeakPolarHBondContact O-CB 3.44Å; A497-K501 VanDerWaalsContact O-CG 3.31Å; A497-K501 WeakPolarHBondContact O-CG 3.45Å; A497-K501 PolarHBondContact O-N 2.88Å; A497-F545 HydrophobicContact CB-CD1 4.4Å; A497-F545 HydrophobicContact CB-CE1 4.49Å
498	F	98.2	Very high	96.9	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-50.8	170.3	173.5	-90.2	0	0	0	111.1	L436 F439 F494 N495 E496 K501 L502 W535 L538 F545	L436-F498 HydrophobicContact CD2-CD2 3.53Å; L436-F498 HydrophobicContact CD2-CE2 3.46Å; L436-F498 VanDerWaalsContact CD2-CE2 3.46Å; L436-F498 HydrophobicContact CD2-CG 4.32Å; L436-F498 HydrophobicContact CD2-CZ 4.2Å; F439-F498 AromaticContact CD1-CE1 3.57Å; F439-F498 HydrophobicContact CD1-CE1 3.57Å; F439-F498 AromaticContact CD1-CZ 3.9Å; F439-F498 HydrophobicContact CD1-CZ 3.9Å; F439-F498 AromaticContact CE1-CE1 3.87Å; F439-F498 HydrophobicContact CE1-CE1 3.87Å; F439-F498 HydrophobicContact CG-CE1 4.35Å; F494-F498 HydrophobicContact CB-CB 3.97Å; F494-F498 HydrophobicContact CB-CD1 3.62Å; F494-F498 HydrophobicContact CB-CD2 4.2Å; F494-F498 HydrophobicContact CB-CE1 4.06Å; F494-F498 HydrophobicContact CB-CG 3.7Å; F494-F498 HydrophobicContact CD1-CD1 4.49Å; F494-F498 HydrophobicContact CD1-CE1 4.23Å; F494-F498 AromaticContact CD2-CD1 3.83Å; F494-F498 HydrophobicContact CD2-CD1 3.83Å; F494-F498 HydrophobicContact CD2-CE1 4.25Å; F494-F498 AromaticContact CG-CD1 3.74Å; F494-F498 HydrophobicContact CG-CD1 3.74Å; F494-F498 AromaticContact CG-CE1 3.93Å; F494-F498 HydrophobicContact CG-CE1 3.93Å; F494-F498 HydrophobicContact CG-CG 4.34Å; N495-F498 WeakPolarHBondContact O-CB 3.43Å; N495-F498 PolarHBondContact O-N 3.37Å; N495-F498 PolarHBondContact OD1-N 2.74Å; N495-F498 VanDerWaalsContact OD1-N 3.15Å; E496-F498 VanDerWaalsContact C-N 3.29Å; E496-F498 PolarHBondContact O-N 2.76Å; F498-K501 PolarHBondContact O-N 2.94Å; F498-L502 WeakPolarHBondContact O-CB 3.49Å; F498-L502 PolarHBondContact O-N 2.75Å; F498-W535 HydrophobicContact CZ-CZ3 4.19Å; F498-L538 HydrophobicContact CD2-CB 4.05Å; F498-L538 HydrophobicContact CD2-CD1 4.35Å; F498-L538 HydrophobicContact CD2-CD2 4.04Å; F498-L538 HydrophobicContact CD2-CG 4.38Å; F498-L538 HydrophobicContact CE2-CB 3.78Å; F498-L538 HydrophobicContact CE2-CD1 4.14Å; F498-L538 HydrophobicContact CE2-CG 4.37Å; F498-F545 HydrophobicContact CB-CB 4.03Å; F498-F545 HydrophobicContact CB-CD1 4.05Å; F498-F545 HydrophobicContact CB-CG 4.27Å; F498-F545 HydrophobicContact CD2-CB 4.1Å; F498-F545 HydrophobicContact CD2-CG 4.4Å
499	L	98.2	Very high	96.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-44.7	178.9	-64.5	178.4	0	0	0	111.6	F439 L478 V481 H482 L485 F494 E496 K501 L502 V503 W570	F439-L499 HydrophobicContact CE1-CD2 4.41Å; F439-L499 HydrophobicContact CZ-CD2 4.12Å; L478-L499 HydrophobicContact CD2-CD2 4.2Å; V481-L499 HydrophobicContact CG1-CD1 4.09Å; V481-L499 HydrophobicContact CG1-CD2 3.92Å; H482-L499 HydrophobicContact CB-CD1 4.14Å; L485-L499 HydrophobicContact CD2-CD1 3.96Å; F494-L499 HydrophobicContact CD2-CD2 4.13Å; F494-L499 HydrophobicContact CD2-CG 4.11Å; F494-L499 HydrophobicContact CE2-CD1 4.15Å; F494-L499 HydrophobicContact CE2-CD2 3.76Å; F494-L499 HydrophobicContact CE2-CG 4.03Å; E496-L499 PolarHBondContact O-N 2.91Å; L499-K501 VanDerWaalsContact C-N 3.32Å; L499-K501 PolarHBondContact O-N 3.43Å; L499-L502 PolarHBondContact O-N 3.09Å; L499-V503 WeakPolarHBondContact O-CG2 3.47Å; L499-V503 PolarHBondContact O-N 3.25Å; L499-W570 HydrophobicContact CB-CH2 3.78Å; L499-W570 HydrophobicContact CB-CZ2 3.71Å
500	V	96.5	Very high	96.8	Very high	20 Å²	20	20.9 Å²	20.9	12%	0.121	11%	0.114	C	C	.	.	H	α-helix	trans	-61.7	-38.2	176.5	171.8	0	0	0	0	111.5	E496 Q504 W570 A572 V573	E496-V500 HydrophobicContact CG-CG2 4.23Å; E496-V500 WeakPolarHBondContact O-CG2 3.39Å; E496-V500 PolarHBondContact O-N 2.95Å; V500-Q504 VanDerWaalsContact O-CG 3.3Å; V500-Q504 WeakPolarHBondContact O-CG 3.34Å; V500-Q504 PolarHBondContact O-N 3.02Å; V500-W570 HydrophobicContact CG2-CZ2 3.71Å; V500-A572 HydrophobicContact CG2-CB 3.97Å; V500-V573 HydrophobicContact CG2-CG2 4.04Å
501	K	95.9	Very high	96.8	Very high	73 Å²	73	19.6 Å²	19.6	32%	0.317	10%	0.102	S	C	.	.	H	α-helix	trans	-71.1	-35.3	174.5	-76.2	-71.4	168.3	-163.8	0	112.7	A497 F498 L499 Q504 H505 L538 F545	A497-K501 WeakPolarHBondContact O-CB 3.44Å; A497-K501 VanDerWaalsContact O-CG 3.31Å; A497-K501 WeakPolarHBondContact O-CG 3.45Å; A497-K501 PolarHBondContact O-N 2.88Å; F498-K501 PolarHBondContact O-N 2.94Å; L499-K501 VanDerWaalsContact C-N 3.32Å; L499-K501 PolarHBondContact O-N 3.43Å; K501-Q504 PolarHBondContact O-N 3.43Å; K501-H505 WeakPolarHBondContact O-CB 3.23Å; K501-H505 PolarHBondContact O-CD2 3.24Å; K501-H505 PolarHBondContact O-N 3.38Å; K501-L538 HydrophobicContact CB-CD2 3.99Å; K501-F545 HydrophobicContact CB-CE1 4.21Å; K501-F545 HydrophobicContact CB-CZ 4.36Å; K501-F545 HydrophobicContact CG-CE1 3.75Å; K501-F545 HydrophobicContact CG-CZ 3.94Å
502	L	97.7	Very high	96.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-41.5	174.8	-163.3	65.3	0	0	0	111.5	F439 F474 L478 F498 L499 H505 T506 F514 V534 W535 L538	F439-L502 HydrophobicContact CE1-CD2 3.77Å; F474-L502 HydrophobicContact CE1-CD2 4.42Å; F474-L502 HydrophobicContact CE1-CG 4.34Å; F474-L502 HydrophobicContact CZ-CD2 4.2Å; L478-L502 HydrophobicContact CD1-CB 4.32Å; L478-L502 HydrophobicContact CD1-CD2 4.15Å; L478-L502 HydrophobicContact CD1-CG 4.21Å; L478-L502 HydrophobicContact CD2-CD2 3.85Å; F498-L502 WeakPolarHBondContact O-CB 3.49Å; F498-L502 PolarHBondContact O-N 2.75Å; L499-L502 PolarHBondContact O-N 3.09Å; L502-H505 PolarHBondContact O-N 2.71Å; L502-T506 PolarHBondContact O-N 2.92Å; L502-T506 PolarHBondContact O-OG1 2.74Å; L502-F514 HydrophobicContact CD1-CE2 3.82Å; L502-F514 HydrophobicContact CD1-CZ 3.77Å; L502-F514 HydrophobicContact CG-CZ 4.36Å; L502-V534 HydrophobicContact CD1-CG1 4.37Å; L502-W535 HydrophobicContact CD1-CH2 3.77Å; L502-W535 HydrophobicContact CD1-CZ3 3.93Å; L502-W535 HydrophobicContact CD2-CH2 4.37Å; L502-L538 HydrophobicContact CB-CD1 4.4Å; L502-L538 HydrophobicContact CD1-CD1 3.67Å
503	V	97.3	Very high	96.6	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-57.9	-52	170.4	169.9	0	0	0	0	111.3	D97 L475 L478 L499 H505 T506 Y507 W570 V573	D97-V503 HydrophobicContact CB-CG1 4.3Å; L475-V503 HydrophobicContact CD1-CB 4.4Å; L475-V503 HydrophobicContact CD1-CG1 3.79Å; L475-V503 HydrophobicContact CD1-CG2 3.64Å; L478-V503 HydrophobicContact CB-CG2 4.23Å; L478-V503 HydrophobicContact CD1-CG2 3.63Å; L499-V503 WeakPolarHBondContact O-CG2 3.47Å; L499-V503 PolarHBondContact O-N 3.25Å; V503-H505 VanDerWaalsContact C-N 3.3Å; V503-H505 PolarHBondContact O-N 2.79Å; V503-T506 WeakPolarHBondContact O-CB 3.18Å; V503-T506 PolarHBondContact O-N 2.94Å; V503-Y507 WeakPolarHBondContact O-CD2 3.5Å; V503-W570 HydrophobicContact CG2-CH2 3.74Å; V503-W570 HydrophobicContact CG2-CZ3 3.89Å; V503-V573 HydrophobicContact CG1-CG1 4.1Å
504	Q	95.4	Very high	96.5	Very high	46 Å²	46	17.1 Å²	17.1	22%	0.215	9%	0.09	C	C	.	.	H	α-helix	trans	-58.5	-42.9	179.6	-72.6	170.8	20	0	0	111.7	V500 K501 Y507 S508	V500-Q504 VanDerWaalsContact O-CG 3.3Å; V500-Q504 WeakPolarHBondContact O-CG 3.34Å; V500-Q504 PolarHBondContact O-N 3.02Å; K501-Q504 PolarHBondContact O-N 3.43Å; Q504-Y507 PolarHBondContact O-N 2.93Å; Q504-S508 WeakPolarHBondContact O-CB 3.35Å; Q504-S508 PolarHBondContact O-N 2.8Å
505	H	96.8	Very high	96.4	Very high	19 Å²	19	17.2 Å²	17.2	9%	0.088	9%	0.09	C	C	.	.	H	α-helix	trans	-82.2	-18.7	-175.4	-71.8	-57.3	0	0	0	114.9	K501 L502 V503 Y507 S508 Y511 V534	K501-H505 WeakPolarHBondContact O-CB 3.23Å; K501-H505 PolarHBondContact O-CD2 3.24Å; K501-H505 PolarHBondContact O-N 3.38Å; L502-H505 PolarHBondContact O-N 2.71Å; V503-H505 VanDerWaalsContact C-N 3.3Å; V503-H505 PolarHBondContact O-N 2.79Å; H505-Y507 PolarHBondContact O-N 3.27Å; H505-S508 WeakPolarHBondContact CA-OG 3.48Å; H505-S508 PolarHBondContact ND1-OG 3.37Å; H505-S508 PolarHBondContact O-N 3.28Å; H505-S508 PolarHBondContact O-OG 2.76Å; H505-Y511 HydrophobicContact CB-CD2 4.1Å; H505-Y511 HydrophobicContact CB-CE2 4.46Å; H505-Y511 AromaticContact CE1-CE2 3.8Å; H505-Y511 AromaticContact CG-CD2 3.88Å; H505-Y511 AromaticContact CG-CE2 3.79Å; H505-Y511 AromaticContact ND1-CD2 3.76Å; H505-Y511 AromaticContact ND1-CE2 3.58Å; H505-V534 HydrophobicContact CB-CG2 3.59Å
506	T	97.3	Very high	96.3	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-53.8	-42.1	164.9	-58.6	0	0	0	0	111.1	F454 H460 F474 L502 V503 F514	F454-T506 HydrophobicContact CD1-CG2 4.31Å; F454-T506 HydrophobicContact CE1-CG2 4.31Å; H460-T506 PolarHBondContact CE1-O 3.4Å; H460-T506 VanDerWaalsContact CE1-O 3.3Å; F474-T506 HydrophobicContact CD1-CG2 4.05Å; L502-T506 PolarHBondContact O-N 2.92Å; L502-T506 PolarHBondContact O-OG1 2.74Å; V503-T506 WeakPolarHBondContact O-CB 3.18Å; V503-T506 PolarHBondContact O-N 2.94Å; T506-F514 HydrophobicContact CG2-CG 4.48Å
507	Y	96.2	Very high	96.2	Very high	8 Å²	8	13.9 Å²	13.9	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-100.8	-11.5	-177.3	-60	-69.4	0	0	0	115.2	R78 L79 K96 C458 V503 Q504 H505 C509	R78-Y507 CarbonylContact C-O 3.54Å; R78-Y507 VanDerWaalsContact C-O 3.27Å; R78-Y507 VanDerWaalsContact CB-O 3.26Å; R78-Y507 WeakPolarHBondContact CB-O 3.39Å; L79-Y507 HydrophobicContact CD1-CD2 3.88Å; L79-Y507 HydrophobicContact CD1-CG 3.93Å; L79-Y507 PolarHBondContact N-O 2.72Å; K96-Y507 HydrophobicContact CB-CD1 3.91Å; K96-Y507 HydrophobicContact CB-CD2 4.36Å; K96-Y507 HydrophobicContact CB-CE1 3.94Å; K96-Y507 HydrophobicContact CB-CE2 4.39Å; K96-Y507 HydrophobicContact CB-CG 4.12Å; K96-Y507 HydrophobicContact CD-CD1 3.64Å; K96-Y507 HydrophobicContact CD-CE1 4.03Å; K96-Y507 HydrophobicContact CD-CG 4.37Å; K96-Y507 HydrophobicContact CG-CD1 4.41Å; C458-Y507 HydrophobicContact CB-CD1 3.95Å; C458-Y507 HydrophobicContact CB-CE1 3.86Å; V503-Y507 WeakPolarHBondContact O-CD2 3.5Å; Q504-Y507 PolarHBondContact O-N 2.93Å; H505-Y507 PolarHBondContact O-N 3.27Å; Y507-C509 PolarHBondContact O-N 3.01Å
508	S	95.6	Very high	96.2	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.014	6%	0.059	C	C	.	.	H	α-helix	trans	-68.4	-29.7	-172.5	68.1	0	0	0	0	114.9	Y62 Q504 H505 L510	Y62-S508 WeakPolarHBondContact CE2-O 3.42Å; Q504-S508 WeakPolarHBondContact O-CB 3.35Å; Q504-S508 PolarHBondContact O-N 2.8Å; H505-S508 WeakPolarHBondContact CA-OG 3.48Å; H505-S508 PolarHBondContact ND1-OG 3.37Å; H505-S508 PolarHBondContact O-N 3.28Å; H505-S508 PolarHBondContact O-OG 2.76Å; S508-L510 PolarHBondContact O-N 2.7Å; S508-L510 PolarHBondContact OG-N 2.9Å
509	C	96.1	Very high	96	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.02	6%	0.062	C	C	.	.			trans	47.9	34.4	-163.4	-63	0	0	0	0	114.2	R78 L131 A133 Y507	R78-C509 HydrophobicContact CB-CB 4.18Å; R78-C509 HydrophobicContact CG-CB 3.89Å; L131-C509 HydrophobicContact CD2-CB 4.38Å; A133-C509 WeakPolarHBondContact CA-O 3.3Å; A133-C509 WeakPolarHBondContact CB-O 3.49Å; A133-C509 PolarHBondContact N-O 3.09Å; Y507-C509 PolarHBondContact O-N 3.01Å
510	L	95.6	Very high	95.9	Very high	10 Å²	10	18.9 Å²	18.9	5%	0.052	9%	0.086	C	C	.	.	S	Bend	trans	-82.6	-29	166.1	-178.9	61.5	0	0	0	112.2	L41 Y62 F132 A133 Y136 S508	L41-L510 HydrophobicContact CD1-CD1 3.96Å; Y62-L510 HydrophobicContact CE2-CB 3.92Å; Y62-L510 HydrophobicContact CE2-CD1 4.34Å; F132-L510 HydrophobicContact CD1-CD1 3.75Å; F132-L510 HydrophobicContact CE1-CD1 3.6Å; A133-L510 WeakPolarHBondContact CA-O 3.05Å; Y136-L510 HydrophobicContact CD1-CD1 3.87Å; Y136-L510 HydrophobicContact CD2-CD1 3.88Å; Y136-L510 HydrophobicContact CE1-CD1 4.19Å; Y136-L510 HydrophobicContact CE2-CD1 4.21Å; Y136-L510 HydrophobicContact CG-CD1 3.72Å; S508-L510 PolarHBondContact O-N 2.7Å; S508-L510 PolarHBondContact OG-N 2.9Å
511	Y	95.4	Very high	95.9	Very high	26 Å²	26	20.3 Å²	20.3	10%	0.102	9%	0.091	C	C	.	.	S	Bend	trans	-122.2	151.9	-177.7	-58.1	-69.3	0	0	0	110.4	H505 C532 S533 V534 L537	H505-Y511 HydrophobicContact CB-CD2 4.1Å; H505-Y511 HydrophobicContact CB-CE2 4.46Å; H505-Y511 AromaticContact CE1-CE2 3.8Å; H505-Y511 AromaticContact CG-CD2 3.88Å; H505-Y511 AromaticContact CG-CE2 3.79Å; H505-Y511 AromaticContact ND1-CD2 3.76Å; H505-Y511 AromaticContact ND1-CE2 3.58Å; Y511-C532 CarbonylContact C-O 3.55Å; Y511-C532 VanDerWaalsContact CA-O 3.3Å; Y511-C532 WeakPolarHBondContact CA-O 3.45Å; Y511-C532 WeakPolarHBondContact CB-O 3.25Å; Y511-C532 HydrophobicContact CD1-CB 3.87Å; Y511-C532 HydrophobicContact CE1-CB 4.21Å; Y511-S533 VanDerWaalsContact CD1-C 3.45Å; Y511-S533 WeakPolarHBondContact CD1-O 3.39Å; Y511-V534 HydrophobicContact CD2-CB 3.78Å; Y511-V534 HydrophobicContact CD2-CG2 3.71Å; Y511-V534 HydrophobicContact CE2-CB 4.43Å; Y511-V534 HydrophobicContact CE2-CG2 4.05Å; Y511-V534 HydrophobicContact CG-CB 3.93Å; Y511-V534 HydrophobicContact CG-CG2 4.38Å; Y511-L537 HydrophobicContact CE2-CD2 4.16Å
512	G	94.6	Very high	95.8	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	8%	0.076	C	C	.	.	S	Bend	trans	-82.1	-11	-179.1	0	0	0	0	0	115.6	F514 L515 T531 C532	G512-F514 VanDerWaalsContact C-N 3.26Å; G512-F514 PolarHBondContact O-N 2.83Å; G512-F514 VanDerWaalsContact O-N 3.16Å; G512-L515 WeakPolarHBondContact O-CB 3.49Å; G512-L515 PolarHBondContact O-N 3.05Å; G512-T531 VanDerWaalsContact CA-OG1 3.32Å; G512-T531 WeakPolarHBondContact CA-OG1 3.27Å; G512-C532 PolarHBondContact N-O 2.85Å
513	T	95.3	Very high	95.6	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.043	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-42.3	-172.8	-53.9	0	0	0	0	113.1	L448 V534 W535	L448-T513 HydrophobicContact CD1-CG2 3.78Å; L448-T513 WeakPolarHBondContact CD2-O 3.42Å; T513-V534 HydrophobicContact CG2-CG1 3.82Å; T513-V534 PolarHBondContact OG1-N 3.13Å; T513-V534 VanDerWaalsContact OG1-N 3.09Å; T513-W535 HydrophobicContact CG2-CZ2 4.34Å
514	F	96.8	Very high	95.5	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.026	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	29.8	-177.8	-59.1	-66.9	0	0	0	113.5	V443 L448 F454 F474 L502 T506 G512 V534	V443-F514 HydrophobicContact CG1-CE1 3.84Å; V443-F514 HydrophobicContact CG1-CZ 4.08Å; L448-F514 HydrophobicContact CD1-CE1 4.39Å; L448-F514 HydrophobicContact CD2-CD1 4.19Å; F454-F514 HydrophobicContact CD1-CB 4.11Å; F454-F514 AromaticContact CD1-CD1 3.7Å; F454-F514 HydrophobicContact CD1-CD1 3.7Å; F454-F514 HydrophobicContact CD1-CG 4.28Å; F454-F514 HydrophobicContact CD2-CD1 4.33Å; F454-F514 AromaticContact CE1-CD1 3.39Å; F454-F514 HydrophobicContact CE1-CD1 3.39Å; F454-F514 AromaticContact CE1-CE1 3.87Å; F454-F514 HydrophobicContact CE1-CE1 3.87Å; F454-F514 HydrophobicContact CE1-CG 4.28Å; F454-F514 HydrophobicContact CE2-CD1 4.05Å; F454-F514 HydrophobicContact CE2-CE1 4.44Å; F454-F514 HydrophobicContact CG-CB 4.39Å; F454-F514 HydrophobicContact CG-CD1 4.16Å; F454-F514 AromaticContact CZ-CD1 3.58Å; F454-F514 HydrophobicContact CZ-CD1 3.58Å; F454-F514 AromaticContact CZ-CE1 3.77Å; F454-F514 HydrophobicContact CZ-CE1 3.77Å; F474-F514 AromaticContact CE1-CE1 3.77Å; F474-F514 HydrophobicContact CE1-CE1 3.77Å; F474-F514 AromaticContact CE1-CZ 3.82Å; F474-F514 HydrophobicContact CE1-CZ 3.82Å; F474-F514 AromaticContact CZ-CE1 3.99Å; F474-F514 HydrophobicContact CZ-CE1 3.99Å; F474-F514 HydrophobicContact CZ-CZ 4.12Å; L502-F514 HydrophobicContact CD1-CE2 3.82Å; L502-F514 HydrophobicContact CD1-CZ 3.77Å; L502-F514 HydrophobicContact CG-CZ 4.36Å; T506-F514 HydrophobicContact CG2-CG 4.48Å; G512-F514 VanDerWaalsContact C-N 3.26Å; G512-F514 PolarHBondContact O-N 2.83Å; G512-F514 VanDerWaalsContact O-N 3.16Å; F514-V534 HydrophobicContact CE2-CG1 4.11Å
515	L	95.1	Very high	95.4	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	13%	0.127	C	C	.	.			trans	-95.9	152.5	173.1	-59.6	-175.4	0	0	0	112.1	L128 L131 L134 G512 R522 T531	L128-L515 HydrophobicContact CD1-CD1 4.4Å; L131-L515 HydrophobicContact CD1-CD1 4.21Å; L131-L515 HydrophobicContact CD1-CD2 3.76Å; L134-L515 HydrophobicContact CD1-CD1 4.46Å; G512-L515 WeakPolarHBondContact O-CB 3.49Å; G512-L515 PolarHBondContact O-N 3.05Å; L515-R522 VanDerWaalsContact O-CD 3.27Å; L515-R522 WeakPolarHBondContact O-CD 3.43Å; L515-R522 VanDerWaalsContact O-CG 3.3Å; L515-R522 WeakPolarHBondContact O-CG 3.39Å; L515-R522 PolarHBondContact O-NH1 3.27Å; L515-T531 HydrophobicContact CD1-CG2 4.43Å
516	C	94.9	Very high	95.1	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.027	14%	0.14	C	C	.	.	S	Bend	trans	60.2	176.2	-178.9	-50.1	0	0	0	0	114.2	G455 E521 R522	G455-C516 PolarHBondContact N-O 3.46Å; C516-E521 HydrophobicContact CB-CB 3.63Å; C516-E521 WeakPolarHBondContact CB-OE2 3.44Å; C516-R522 HydrophobicContact CB-CG 3.96Å
517	N	95.8	Very high	94.9	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.053	14%	0.139	C	C	.	.	S	Bend	trans	-99	-9.6	-170.5	-67.4	-37.8	0	0	0	115.5	G451 K453 G455 D456 Q461 E521	G451-N517 CarbonylContact C-O 3.3Å; G451-N517 WeakPolarHBondContact CA-O 3.21Å; K453-N517 VanDerWaalsContact CA-OD1 3.25Å; K453-N517 WeakPolarHBondContact CA-OD1 3.42Å; K453-N517 HydrophobicContact CB-CB 4.27Å; K453-N517 WeakPolarHBondContact CB-OD1 3.33Å; K453-N517 HydrophobicContact CG-CB 4.22Å; K453-N517 PolarHBondContact O-OD1 3.07Å; G455-N517 VanDerWaalsContact CA-OD1 3.3Å; G455-N517 WeakPolarHBondContact CA-OD1 3.28Å; G455-N517 PolarHBondContact N-OD1 3.46Å; D456-N517 PolarHBondContact N-OD1 2.93Å; D456-N517 PolarHBondContact OD1-ND2 3.4Å; D456-N517 PolarHBondContact OD1-OD1 3.12Å; D456-N517 PolarHBondContact OD2-ND2 3.2Å; Q461-N517 PolarHBondContact NE2-ND2 2.82Å; N517-E521 PolarHBondContact N-OE2 3.48Å
518	N	95.9	Very high	94.4	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.07	15%	0.152	C	C	.	.	S	Bend	trans	-166.1	168.7	-175.7	48.3	71	0	0	0	111.3	R520 E521 R522	N518-R520 VanDerWaalsContact C-N 3.33Å; N518-R520 PolarHBondContact O-N 2.98Å; N518-R520 WeakPolarHBondContact OD1-CB 3.34Å; N518-R520 PolarHBondContact OD1-N 2.87Å; N518-E521 PolarHBondContact ND2-OE1 3.15Å; N518-E521 PolarHBondContact O-N 2.81Å; N518-E521 WeakPolarHBondContact OD1-CG 3.4Å; N518-E521 PolarHBondContact OD1-N 2.88Å; N518-R522 PolarHBondContact O-N 3.26Å
519	A	94.6	Very high	93.9	Very high	7 Å²	7	37.4 Å²	37.4	6%	0.058	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-41.6	177.9	0	0	0	0	0	112.8	Y189 E521 R522 E523	Y189-A519 HydrophobicContact CE1-CB 4.15Å; A519-E521 PolarHBondContact O-N 3.24Å; A519-R522 PolarHBondContact O-N 3.03Å; A519-R522 VanDerWaalsContact O-N 3.17Å; A519-E523 WeakPolarHBondContact O-CB 3.13Å; A519-E523 PolarHBondContact O-N 2.95Å
520	R	96.4	Very high	93.6	Very high	134 Å²	134	41.2 Å²	41.2	51%	0.506	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-46.2	178.9	-176.4	-170.1	-179.1	-140.8	-1.5	112.6	Y189 N518 A524	Y189-R520 HydrophobicContact CD1-CB 3.83Å; Y189-R520 HydrophobicContact CD1-CG 4.46Å; Y189-R520 HydrophobicContact CD2-CB 3.77Å; Y189-R520 HydrophobicContact CD2-CG 3.63Å; Y189-R520 HydrophobicContact CE1-CB 3.99Å; Y189-R520 HydrophobicContact CE2-CB 3.92Å; Y189-R520 HydrophobicContact CE2-CG 4.09Å; Y189-R520 HydrophobicContact CG-CB 3.7Å; Y189-R520 HydrophobicContact CG-CG 3.81Å; N518-R520 VanDerWaalsContact C-N 3.33Å; N518-R520 PolarHBondContact O-N 2.98Å; N518-R520 WeakPolarHBondContact OD1-CB 3.34Å; N518-R520 PolarHBondContact OD1-N 2.87Å; R520-A524 VanDerWaalsContact O-CB 3.31Å; R520-A524 WeakPolarHBondContact O-CB 3.39Å; R520-A524 PolarHBondContact O-N 2.83Å
521	E	95.6	Very high	93.4	Very high	49 Å²	49	40.9 Å²	40.9	23%	0.229	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-42.9	176.3	-77.4	168.2	-139.2	0	0	111.9	Q461 C516 N517 N518 A519 E523 A524 K525	Q461-E521 PolarHBondContact NE2-OE2 3.04Å; C516-E521 HydrophobicContact CB-CB 3.63Å; C516-E521 WeakPolarHBondContact CB-OE2 3.44Å; N517-E521 PolarHBondContact N-OE2 3.48Å; N518-E521 PolarHBondContact ND2-OE1 3.15Å; N518-E521 PolarHBondContact O-N 2.81Å; N518-E521 WeakPolarHBondContact OD1-CG 3.4Å; N518-E521 PolarHBondContact OD1-N 2.88Å; A519-E521 PolarHBondContact O-N 3.24Å; E521-E523 VanDerWaalsContact C-N 3.34Å; E521-E523 PolarHBondContact O-N 2.83Å; E521-A524 PolarHBondContact O-N 2.89Å; E521-K525 WeakPolarHBondContact O-CB 3.4Å; E521-K525 PolarHBondContact O-N 3.49Å
522	R	94.2	Very high	93.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-37.2	178.2	-74.5	-169.9	-74.4	-78.8	-4.8	112.5	L448 L515 C516 N518 A519 N526 I527 Y528	L448-R522 PolarHBondContact O-NH2 3.21Å; L515-R522 VanDerWaalsContact O-CD 3.27Å; L515-R522 WeakPolarHBondContact O-CD 3.43Å; L515-R522 VanDerWaalsContact O-CG 3.3Å; L515-R522 WeakPolarHBondContact O-CG 3.39Å; L515-R522 PolarHBondContact O-NH1 3.27Å; C516-R522 HydrophobicContact CB-CG 3.96Å; N518-R522 PolarHBondContact O-N 3.26Å; A519-R522 PolarHBondContact O-N 3.03Å; A519-R522 VanDerWaalsContact O-N 3.17Å; R522-N526 PolarHBondContact O-N 2.76Å; R522-N526 VanDerWaalsContact O-N 3.17Å; R522-I527 HydrophobicContact CB-CB 4.15Å; R522-I527 HydrophobicContact CB-CG1 4.08Å; R522-I527 HydrophobicContact CG-CB 4.29Å; R522-I527 HydrophobicContact CG-CG1 4.05Å; R522-I527 PolarHBondContact O-N 2.75Å; R522-Y528 HydrophobicContact CB-CD2 4.48Å; R522-Y528 HydrophobicContact CB-CE2 3.76Å; R522-Y528 PolarHBondContact NE-OH 2.97Å; R522-Y528 VanDerWaalsContact NE-OH 3.09Å
523	E	93.1	Very high	93.1	Very high	93 Å²	93	40 Å²	40	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-67.9	-51.4	174.4	-173.9	171.7	-172.3	0	0	111.2	Y189 Q197 A519 E521 K525 N526	Y189-E523 WeakPolarHBondContact CE2-OE2 3.25Å; Y189-E523 PolarHBondContact OH-OE2 2.93Å; Q197-E523 PolarHBondContact NE2-OE2 3.39Å; A519-E523 WeakPolarHBondContact O-CB 3.13Å; A519-E523 PolarHBondContact O-N 2.95Å; E521-E523 VanDerWaalsContact C-N 3.34Å; E521-E523 PolarHBondContact O-N 2.83Å; E523-K525 VanDerWaalsContact C-N 3.34Å; E523-K525 PolarHBondContact O-N 2.87Å; E523-N526 WeakPolarHBondContact O-CA 3.47Å; E523-N526 PolarHBondContact O-N 2.79Å; E523-N526 PolarHBondContact O-ND2 3.02Å
524	A	94.9	Very high	93	Very high	77 Å²	77	39.7 Å²	39.7	64%	0.636	19%	0.189	S	C	*	.	H	α-helix	trans	-58.4	-42.8	178.9	0	0	0	0	0	112.6	R520 E521 N526	R520-A524 VanDerWaalsContact O-CB 3.31Å; R520-A524 WeakPolarHBondContact O-CB 3.39Å; R520-A524 PolarHBondContact O-N 2.83Å; E521-A524 PolarHBondContact O-N 2.89Å; A524-N526 PolarHBondContact O-N 2.94Å; A524-N526 PolarHBondContact O-ND2 3.43Å
525	K	92.9	Very high	92.8	Very high	53 Å²	53	39.8 Å²	39.8	23%	0.23	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.9	176.6	-68.7	177.1	178.8	-177.1	0	113.8	L128 E462 E521 E523 I527 R530	L128-K525 HydrophobicContact CD2-CB 4.05Å; L128-K525 HydrophobicContact CD2-CD 4.29Å; L128-K525 HydrophobicContact CD2-CG 4.48Å; E462-K525 WeakPolarHBondContact OE2-CE 3.01Å; E462-K525 IonicContact OE2-NZ 3.16Å; E462-K525 PolarHBondContact OE2-NZ 3.25Å; E521-K525 WeakPolarHBondContact O-CB 3.4Å; E521-K525 PolarHBondContact O-N 3.49Å; E523-K525 VanDerWaalsContact C-N 3.34Å; E523-K525 PolarHBondContact O-N 2.87Å; K525-I527 VanDerWaalsContact C-N 3.29Å; K525-I527 HydrophobicContact CB-CD1 3.92Å; K525-I527 HydrophobicContact CB-CG1 4.05Å; K525-I527 PolarHBondContact O-N 3.27Å; K525-R530 WeakPolarHBondContact O-CD 3.37Å; K525-R530 PolarHBondContact O-NH1 3.09Å; K525-R530 VanDerWaalsContact O-NH1 3.09Å
526	N	91.6	Very high	92.5	Very high	67 Å²	67	40.2 Å²	40.2	36%	0.358	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	36.8	-178.1	-78.3	-100.5	0	0	0	113.8	R522 E523 A524 Y528 K529 R530	R522-N526 PolarHBondContact O-N 2.76Å; R522-N526 VanDerWaalsContact O-N 3.17Å; E523-N526 WeakPolarHBondContact O-CA 3.47Å; E523-N526 PolarHBondContact O-N 2.79Å; E523-N526 PolarHBondContact O-ND2 3.02Å; A524-N526 PolarHBondContact O-N 2.94Å; A524-N526 PolarHBondContact O-ND2 3.43Å; N526-Y528 PolarHBondContact O-N 2.74Å; N526-K529 PolarHBondContact O-N 2.92Å; N526-K529 PolarHBondContact OD1-NZ 3.23Å; N526-R530 HydrophobicContact CB-CG 4.42Å; N526-R530 WeakPolarHBondContact O-CG 3.42Å; N526-R530 PolarHBondContact O-N 2.89Å
527	I	91.8	Very high	92.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-53.9	-48.3	-173.7	-61.3	-61.5	0	0	0	111.9	L128 R522 K525 K529 R530 T531	L128-I527 HydrophobicContact CD1-CD1 3.85Å; L128-I527 HydrophobicContact CD2-CD1 3.64Å; L128-I527 HydrophobicContact CG-CD1 4.31Å; R522-I527 HydrophobicContact CB-CB 4.15Å; R522-I527 HydrophobicContact CB-CG1 4.08Å; R522-I527 HydrophobicContact CG-CB 4.29Å; R522-I527 HydrophobicContact CG-CG1 4.05Å; R522-I527 PolarHBondContact O-N 2.75Å; K525-I527 VanDerWaalsContact C-N 3.29Å; K525-I527 HydrophobicContact CB-CD1 3.92Å; K525-I527 HydrophobicContact CB-CG1 4.05Å; K525-I527 PolarHBondContact O-N 3.27Å; I527-K529 PolarHBondContact O-N 3.35Å; I527-R530 PolarHBondContact O-N 2.58Å; I527-T531 HydrophobicContact CG2-CG2 4.25Å; I527-T531 WeakPolarHBondContact CG2-OG1 3.06Å; I527-T531 PolarHBondContact O-N 2.98Å; I527-T531 VanDerWaalsContact O-N 3.09Å; I527-T531 PolarHBondContact O-OG1 3.3Å
528	Y	86.3	Confident	92.1	Very high	79 Å²	79	41.9 Å²	41.9	31%	0.31	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-63.5	-7.4	-179.9	-54.4	-74.9	0	0	0	115.3	R522 N526	R522-Y528 HydrophobicContact CB-CD2 4.48Å; R522-Y528 HydrophobicContact CB-CE2 3.76Å; R522-Y528 PolarHBondContact NE-OH 2.97Å; R522-Y528 VanDerWaalsContact NE-OH 3.09Å; N526-Y528 PolarHBondContact O-N 2.74Å
529	K	85.3	Confident	91.6	Very high	144 Å²	144	48.6 Å²	48.6	63%	0.626	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-114.4	-1.6	174.6	-59.1	179	-173.8	163.6	0	113.3	H137 N526 I527	H137-K529 PolarHBondContact CE1-O 2.84Å; N526-K529 PolarHBondContact O-N 2.92Å; N526-K529 PolarHBondContact OD1-NZ 3.23Å; I527-K529 PolarHBondContact O-N 3.35Å
530	R	89.4	Confident	91.1	Very high	83 Å²	83	51.2 Å²	51.2	31%	0.313	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129	1.2	-170.2	-65.5	177.2	70.7	-154	2.1	113.1	E129 H137 K525 N526 I527	E129-R530 IonicContact OE1-CZ 3.64Å; E129-R530 IonicContact OE1-NH1 2.8Å; E129-R530 IonicContact OE1-NH2 3.5Å; E129-R530 PolarHBondContact OE1-NH2 3.35Å; H137-R530 VanDerWaalsContact ND1-C 3.29Å; H137-R530 PolarHBondContact ND1-O 3.35Å; K525-R530 WeakPolarHBondContact O-CD 3.37Å; K525-R530 PolarHBondContact O-NH1 3.09Å; K525-R530 VanDerWaalsContact O-NH1 3.09Å; N526-R530 HydrophobicContact CB-CG 4.42Å; N526-R530 WeakPolarHBondContact O-CG 3.42Å; N526-R530 PolarHBondContact O-N 2.89Å; I527-R530 PolarHBondContact O-N 2.58Å
531	T	91.9	Very high	90.4	Very high	3 Å²	3	48 Å²	48	2%	0.018	26%	0.256	C	S	.	.	S	Bend	trans	-148.3	153	-175.8	59.9	0	0	0	0	110.4	A133 L134 H137 G512 L515 I527	A133-T531 HydrophobicContact CB-CG2 3.94Å; L134-T531 HydrophobicContact CD1-CG2 3.66Å; L134-T531 HydrophobicContact CG-CG2 3.95Å; H137-T531 VanDerWaalsContact CD2-C 3.41Å; H137-T531 PolarHBondContact CD2-N 2.89Å; G512-T531 VanDerWaalsContact CA-OG1 3.32Å; G512-T531 WeakPolarHBondContact CA-OG1 3.27Å; L515-T531 HydrophobicContact CD1-CG2 4.43Å; I527-T531 HydrophobicContact CG2-CG2 4.25Å; I527-T531 WeakPolarHBondContact CG2-OG1 3.06Å; I527-T531 PolarHBondContact O-N 2.98Å; I527-T531 VanDerWaalsContact O-N 3.09Å; I527-T531 PolarHBondContact O-OG1 3.3Å
532	C	91.3	Very high	90.1	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.02	25%	0.254	C	S	.	.			trans	-78.9	157.7	170.6	-62.1	0	0	0	0	111.4	Y136 L154 Y511 G512	Y136-C532 HydrophobicContact CD1-CB 4.25Å; Y136-C532 HydrophobicContact CE1-CB 4.08Å; L154-C532 VanDerWaalsContact O-CA 3.27Å; L154-C532 WeakPolarHBondContact O-CA 3.38Å; L154-C532 WeakPolarHBondContact O-CB 3.25Å; Y511-C532 CarbonylContact C-O 3.55Å; Y511-C532 VanDerWaalsContact CA-O 3.3Å; Y511-C532 WeakPolarHBondContact CA-O 3.45Å; Y511-C532 WeakPolarHBondContact CB-O 3.25Å; Y511-C532 HydrophobicContact CD1-CB 3.87Å; Y511-C532 HydrophobicContact CE1-CB 4.21Å; G512-C532 PolarHBondContact N-O 2.85Å
533	S	91.7	Very high	89.9	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.042	28%	0.284	C	S	.	.			trans	-96	139	178.4	-177.6	0	0	0	0	112	L154 Y511 W535 S536	L154-S533 PolarHBondContact O-N 3.29Å; Y511-S533 VanDerWaalsContact CD1-C 3.45Å; Y511-S533 WeakPolarHBondContact CD1-O 3.39Å; S533-W535 PolarHBondContact O-N 3.36Å; S533-W535 VanDerWaalsContact OG-CD1 3.26Å; S533-W535 PolarHBondContact OG-N 3.2Å; S533-S536 WeakPolarHBondContact O-CB 3.49Å; S533-S536 PolarHBondContact O-N 2.89Å; S533-S536 VanDerWaalsContact O-N 3.15Å
534	V	94.3	Very high	89.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.6	174.7	74.4	0	0	0	0	111.5	L502 H505 Y511 T513 F514 S536 L537 L538	L502-V534 HydrophobicContact CD1-CG1 4.37Å; H505-V534 HydrophobicContact CB-CG2 3.59Å; Y511-V534 HydrophobicContact CD2-CB 3.78Å; Y511-V534 HydrophobicContact CD2-CG2 3.71Å; Y511-V534 HydrophobicContact CE2-CB 4.43Å; Y511-V534 HydrophobicContact CE2-CG2 4.05Å; Y511-V534 HydrophobicContact CG-CB 3.93Å; Y511-V534 HydrophobicContact CG-CG2 4.38Å; T513-V534 HydrophobicContact CG2-CG1 3.82Å; T513-V534 PolarHBondContact OG1-N 3.13Å; T513-V534 VanDerWaalsContact OG1-N 3.09Å; F514-V534 HydrophobicContact CE2-CG1 4.11Å; V534-S536 PolarHBondContact O-N 3.24Å; V534-L537 WeakPolarHBondContact O-CB 3.06Å; V534-L537 PolarHBondContact O-N 3.49Å; V534-L538 HydrophobicContact CG2-CD1 3.92Å; V534-L538 HydrophobicContact CG2-CG 4.28Å; V534-L538 PolarHBondContact O-N 3.41Å
535	W	92.7	Very high	90	Very high	8 Å²	8	52.6 Å²	52.6	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-68.7	-22.6	179	-48.4	120.1	0	0	0	112.7	Q440 V443 E444 F498 L502 T513 S533 L537 L538 R539	Q440-W535 HydrophobicContact CB-CD2 4.1Å; Q440-W535 HydrophobicContact CB-CE3 3.9Å; Q440-W535 HydrophobicContact CB-CH2 4.32Å; Q440-W535 HydrophobicContact CB-CZ2 4.49Å; Q440-W535 HydrophobicContact CB-CZ3 4.02Å; Q440-W535 HydrophobicContact CG-CB 4.5Å; Q440-W535 HydrophobicContact CG-CD2 3.56Å; Q440-W535 HydrophobicContact CG-CE3 3.9Å; Q440-W535 HydrophobicContact CG-CG 3.82Å; Q440-W535 HydrophobicContact CG-CZ2 4.21Å; Q440-W535 HydrophobicContact CG-CZ3 4.36Å; Q440-W535 VanDerWaalsContact NE2-CB 3.26Å; Q440-W535 VanDerWaalsContact NE2-CD1 3.3Å; V443-W535 HydrophobicContact CB-CH2 3.99Å; V443-W535 HydrophobicContact CB-CZ2 3.93Å; V443-W535 HydrophobicContact CG1-CH2 4.1Å; V443-W535 HydrophobicContact CG1-CZ2 3.82Å; V443-W535 HydrophobicContact CG2-CH2 4.27Å; E444-W535 PolarHBondContact OE1-NE1 3.22Å; F498-W535 HydrophobicContact CZ-CZ3 4.19Å; L502-W535 HydrophobicContact CD1-CH2 3.77Å; L502-W535 HydrophobicContact CD1-CZ3 3.93Å; L502-W535 HydrophobicContact CD2-CH2 4.37Å; T513-W535 HydrophobicContact CG2-CZ2 4.34Å; S533-W535 PolarHBondContact O-N 3.36Å; S533-W535 VanDerWaalsContact OG-CD1 3.26Å; S533-W535 PolarHBondContact OG-N 3.2Å; W535-L537 PolarHBondContact O-N 3.32Å; W535-L538 HydrophobicContact CE3-CB 4.25Å; W535-L538 HydrophobicContact CE3-CD1 4.11Å; W535-L538 HydrophobicContact CZ3-CD1 4.05Å; W535-L538 CarbonylContact O-C 3.26Å; W535-L538 PolarHBondContact O-N 2.98Å; W535-R539 WeakPolarHBondContact O-CA 3.38Å; W535-R539 WeakPolarHBondContact O-CB 3.42Å; W535-R539 PolarHBondContact O-N 3.45Å
536	S	88	Confident	90.1	Very high	12 Å²	12	52.8 Å²	52.8	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-25.7	171.4	-57.5	0	0	0	0	112.4	H153 L154 S533 V534 R539	H153-S536 WeakPolarHBondContact O-CB 3.18Å; H153-S536 PolarHBondContact O-OG 3.14Å; L154-S536 PolarHBondContact O-OG 3.33Å; S533-S536 WeakPolarHBondContact O-CB 3.49Å; S533-S536 PolarHBondContact O-N 2.89Å; S533-S536 VanDerWaalsContact O-N 3.15Å; V534-S536 PolarHBondContact O-N 3.24Å; S536-R539 WeakPolarHBondContact O-CD 3.48Å; S536-R539 PolarHBondContact O-NH1 3.13Å
537	L	89.6	Confident	90.3	Very high	45 Å²	45	50.6 Å²	50.6	24%	0.236	26%	0.257	C	S	.	.	H	α-helix	trans	-83.4	-46.1	169	168.1	66.3	0	0	0	111.6	Y511 V534 W535 R539 N542 F545	Y511-L537 HydrophobicContact CE2-CD2 4.16Å; V534-L537 WeakPolarHBondContact O-CB 3.06Å; V534-L537 PolarHBondContact O-N 3.49Å; W535-L537 PolarHBondContact O-N 3.32Å; L537-R539 VanDerWaalsContact C-N 3.28Å; L537-R539 PolarHBondContact O-N 2.97Å; L537-N542 PolarHBondContact O-ND2 2.61Å; L537-F545 HydrophobicContact CD1-CE2 4.15Å; L537-F545 HydrophobicContact CD1-CZ 4.48Å; L537-F545 HydrophobicContact CG-CE2 4.12Å; L537-F545 HydrophobicContact CG-CZ 4.48Å; L537-F545 WeakPolarHBondContact O-CE2 3.38Å
538	L	91.6	Very high	90.5	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-84.3	8.3	-173.2	-60.3	179.8	0	0	0	114.7	F498 K501 L502 V534 W535 F545	F498-L538 HydrophobicContact CD2-CB 4.05Å; F498-L538 HydrophobicContact CD2-CD1 4.35Å; F498-L538 HydrophobicContact CD2-CD2 4.04Å; F498-L538 HydrophobicContact CD2-CG 4.38Å; F498-L538 HydrophobicContact CE2-CB 3.78Å; F498-L538 HydrophobicContact CE2-CD1 4.14Å; F498-L538 HydrophobicContact CE2-CG 4.37Å; K501-L538 HydrophobicContact CB-CD2 3.99Å; L502-L538 HydrophobicContact CB-CD1 4.4Å; L502-L538 HydrophobicContact CD1-CD1 3.67Å; V534-L538 HydrophobicContact CG2-CD1 3.92Å; V534-L538 HydrophobicContact CG2-CG 4.28Å; V534-L538 PolarHBondContact O-N 3.41Å; W535-L538 HydrophobicContact CE3-CB 4.25Å; W535-L538 HydrophobicContact CE3-CD1 4.11Å; W535-L538 HydrophobicContact CZ3-CD1 4.05Å; W535-L538 CarbonylContact O-C 3.26Å; W535-L538 PolarHBondContact O-N 2.98Å; L538-F545 HydrophobicContact CD2-CD1 4.38Å; L538-F545 HydrophobicContact CD2-CD2 3.82Å; L538-F545 HydrophobicContact CD2-CE1 4.19Å; L538-F545 HydrophobicContact CD2-CE2 3.58Å; L538-F545 HydrophobicContact CD2-CG 4.23Å; L538-F545 HydrophobicContact CD2-CZ 3.79Å
539	R	86.8	Confident	90.9	Very high	153 Å²	153	59.6 Å²	59.6	58%	0.577	30%	0.303	S	S	*	.			trans	-57.9	150.4	-178.3	64.1	-175.5	-168.6	-119.3	14.4	113.4	W535 S536 L537 G541 N542	W535-R539 WeakPolarHBondContact O-CA 3.38Å; W535-R539 WeakPolarHBondContact O-CB 3.42Å; W535-R539 PolarHBondContact O-N 3.45Å; S536-R539 WeakPolarHBondContact O-CD 3.48Å; S536-R539 PolarHBondContact O-NH1 3.13Å; L537-R539 VanDerWaalsContact C-N 3.28Å; L537-R539 PolarHBondContact O-N 2.97Å; R539-G541 PolarHBondContact O-N 3.4Å; R539-N542 HydrophobicContact CG-CB 4.44Å; R539-N542 WeakPolarHBondContact O-CB 3.49Å; R539-N542 PolarHBondContact O-N 3.01Å
540	A	83.2	Confident	91.4	Very high	62 Å²	62	55.1 Å²	55.1	51%	0.512	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-29.8	179.2	0	0	0	0	0	114.8	L436 N542	L436-A540 HydrophobicContact CD1-CB 4.39Å; A540-N542 PolarHBondContact O-N 3.41Å
541	G	82.9	Confident	91.6	Very high	68 Å²	68	54.4 Å²	54.4	70%	0.701	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-9	173.8	0	0	0	0	0	115.3	R539 K543	R539-G541 PolarHBondContact O-N 3.4Å; G541-K543 PolarHBondContact O-N 3.24Å
542	N	87.6	Confident	91.4	Very high	33 Å²	33	58.6 Å²	58.6	18%	0.176	31%	0.314	C	S	.	.			trans	-96.8	86.2	178.7	-169.5	-6.8	0	0	0	111	L537 R539 A540 N544 F545	L537-N542 PolarHBondContact O-ND2 2.61Å; R539-N542 HydrophobicContact CG-CB 4.44Å; R539-N542 WeakPolarHBondContact O-CB 3.49Å; R539-N542 PolarHBondContact O-N 3.01Å; A540-N542 PolarHBondContact O-N 3.41Å; N542-N544 PolarHBondContact O-N 2.77Å; N542-N544 PolarHBondContact OD1-ND2 3.36Å; N542-F545 HydrophobicContact CB-CD2 4.07Å; N542-F545 WeakPolarHBondContact ND2-CE2 3.27Å; N542-F545 PolarHBondContact O-N 2.91Å
543	K	91.7	Very high	90.4	Very high	145 Å²	145	62.2 Å²	62.2	63%	0.63	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-54.3	-20.3	-174.8	-61.5	-173.6	179.9	-177.7	0	115.1	G541 F545 Q546	G541-K543 PolarHBondContact O-N 3.24Å; K543-F545 PolarHBondContact O-N 2.7Å; K543-F545 VanDerWaalsContact O-N 3.16Å; K543-Q546 PolarHBondContact O-N 3.23Å; K543-Q546 VanDerWaalsContact O-N 3.14Å
544	N	93.1	Very high	89.6	Confident	122 Å²	122	66.6 Å²	66.6	65%	0.652	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-60.8	-20.3	174.4	-60	-63.4	0	0	0	113.6	N495 N542	N495-N544 PolarHBondContact ND2-O 3.5Å; N542-N544 PolarHBondContact O-N 2.77Å; N542-N544 PolarHBondContact OD1-ND2 3.36Å
545	F	95.9	Very high	89	Confident	14 Å²	14	71.1 Å²	71.1	6%	0.061	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-103.4	-5.7	179	-62.4	-45.6	0	0	0	113.9	F494 N495 A497 F498 K501 L537 L538 N542 K543	F494-F545 WeakPolarHBondContact CA-O 3.35Å; N495-F545 PolarHBondContact N-O 3.39Å; N495-F545 VanDerWaalsContact ND2-C 3.27Å; N495-F545 WeakPolarHBondContact ND2-CA 3.2Å; N495-F545 PolarHBondContact ND2-O 3.32Å; A497-F545 HydrophobicContact CB-CD1 4.4Å; A497-F545 HydrophobicContact CB-CE1 4.49Å; F498-F545 HydrophobicContact CB-CB 4.03Å; F498-F545 HydrophobicContact CB-CD1 4.05Å; F498-F545 HydrophobicContact CB-CG 4.27Å; F498-F545 HydrophobicContact CD2-CB 4.1Å; F498-F545 HydrophobicContact CD2-CG 4.4Å; K501-F545 HydrophobicContact CB-CE1 4.21Å; K501-F545 HydrophobicContact CB-CZ 4.36Å; K501-F545 HydrophobicContact CG-CE1 3.75Å; K501-F545 HydrophobicContact CG-CZ 3.94Å; L537-F545 HydrophobicContact CD1-CE2 4.15Å; L537-F545 HydrophobicContact CD1-CZ 4.48Å; L537-F545 HydrophobicContact CG-CE2 4.12Å; L537-F545 HydrophobicContact CG-CZ 4.48Å; L537-F545 WeakPolarHBondContact O-CE2 3.38Å; L538-F545 HydrophobicContact CD2-CD1 4.38Å; L538-F545 HydrophobicContact CD2-CD2 3.82Å; L538-F545 HydrophobicContact CD2-CE1 4.19Å; L538-F545 HydrophobicContact CD2-CE2 3.58Å; L538-F545 HydrophobicContact CD2-CG 4.23Å; L538-F545 HydrophobicContact CD2-CZ 3.79Å; N542-F545 HydrophobicContact CB-CD2 4.07Å; N542-F545 WeakPolarHBondContact ND2-CE2 3.27Å; N542-F545 PolarHBondContact O-N 2.91Å; K543-F545 PolarHBondContact O-N 2.7Å; K543-F545 VanDerWaalsContact O-N 3.16Å
546	Q	95.6	Very high	88.9	Confident	57 Å²	57	73.8 Å²	73.8	27%	0.266	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-80.7	144.1	178	-162	170.1	33.3	0	0	110.9	E493 N495 K543	E493-Q546 HydrophobicContact CG-CG 4.47Å; E493-Q546 CarbonylContact O-C 3.55Å; E493-Q546 WeakPolarHBondContact O-CA 3.33Å; N495-Q546 PolarHBondContact ND2-O 3.29Å; K543-Q546 PolarHBondContact O-N 3.23Å; K543-Q546 VanDerWaalsContact O-N 3.14Å
547	N	96.1	Very high	89.2	Confident	22 Å²	22	74.3 Å²	74.3	12%	0.118	42%	0.415	C	S	.	.			trans	-96.3	109.8	171.8	177.2	17	0	0	0	109.4	P489 F492 E493 N495 L549 Y550	P489-N547 PolarHBondContact O-ND2 3.29Å; F492-N547 WeakPolarHBondContact O-CB 3.17Å; F492-N547 PolarHBondContact O-ND2 3.12Å; E493-N547 WeakPolarHBondContact O-CB 3.42Å; E493-N547 PolarHBondContact O-N 3.39Å; N495-N547 HydrophobicContact CB-CB 4.21Å; N547-L549 PolarHBondContact O-N 3.35Å; N547-L549 VanDerWaalsContact O-N 3.17Å; N547-L549 WeakPolarHBondContact OD1-CB 3.36Å; N547-L549 PolarHBondContact OD1-N 3.35Å; N547-L549 VanDerWaalsContact OD1-N 3.08Å; N547-Y550 VanDerWaalsContact O-CB 3.24Å; N547-Y550 WeakPolarHBondContact O-CB 3.42Å; N547-Y550 PolarHBondContact O-N 3.41Å
548	F	95.3	Very high	89.6	Confident	161 Å²	161	72.2 Å²	72.2	71%	0.706	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-6.1	179.6	-57.5	-70.1	0	0	0	114.1
549	L	95.4	Very high	89.8	Confident	107 Å²	107	77.1 Å²	77.1	56%	0.56	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.4	170.7	-55.4	-179.7	0	0	0	113.1	C490 N547 V551	C490-L549 VanDerWaalsContact CA-O 3.28Å; C490-L549 WeakPolarHBondContact CA-O 3.18Å; C490-L549 VanDerWaalsContact CB-O 3.28Å; C490-L549 WeakPolarHBondContact CB-O 3.37Å; N547-L549 PolarHBondContact O-N 3.35Å; N547-L549 VanDerWaalsContact O-N 3.17Å; N547-L549 WeakPolarHBondContact OD1-CB 3.36Å; N547-L549 PolarHBondContact OD1-N 3.35Å; N547-L549 VanDerWaalsContact OD1-N 3.08Å; L549-V551 PolarHBondContact O-N 3.09Å
550	Y	95.9	Very high	90.3	Very high	50 Å²	50	70.4 Å²	70.4	20%	0.196	40%	0.403	C	S	.	.			trans	-65.1	125.3	-177.3	178.9	-125.4	0	0	0	112.3	C490 F492 E493 N547 P552	C490-Y550 WeakPolarHBondContact O-CA 3.44Å; F492-Y550 WeakPolarHBondContact O-CB 3.47Å; F492-Y550 WeakPolarHBondContact O-CD2 3.44Å; E493-Y550 HydrophobicContact CB-CD1 3.65Å; E493-Y550 HydrophobicContact CB-CD2 4.31Å; E493-Y550 HydrophobicContact CB-CE1 3.73Å; E493-Y550 HydrophobicContact CB-CE2 4.39Å; E493-Y550 HydrophobicContact CB-CG 3.95Å; E493-Y550 HydrophobicContact CG-CD1 3.7Å; E493-Y550 HydrophobicContact CG-CE1 3.95Å; E493-Y550 HydrophobicContact CG-CG 4.34Å; N547-Y550 VanDerWaalsContact O-CB 3.24Å; N547-Y550 WeakPolarHBondContact O-CB 3.42Å; N547-Y550 PolarHBondContact O-N 3.41Å; Y550-P552 HydrophobicContact CE1-CB 3.91Å; Y550-P552 WeakPolarHBondContact O-CD 3.45Å
551	V	92.4	Very high	91	Very high	67 Å²	67	70.9 Å²	70.9	41%	0.406	40%	0.4	S	S	.	.			trans	-107.1	103.1	174.1	-172.3	0	0	0	0	109.2	C490 L549	C490-V551 HydrophobicContact CB-CG2 4.35Å; C490-V551 PolarHBondContact O-N 3.25Å; L549-V551 PolarHBondContact O-N 3.09Å
552	P	87.3	Confident	91.6	Very high	92 Å²	92	68.1 Å²	68.1	60%	0.597	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	155.8	177.8	28.9	-35.1	0	0	0	111.7	Y550	Y550-P552 HydrophobicContact CE1-CB 3.91Å; Y550-P552 WeakPolarHBondContact O-CD 3.45Å
553	G	72.1	Confident	91.9	Very high	79 Å²	79	72.2 Å²	72.2	81%	0.814	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-3.3	174.2	0	0	0	0	0	116.1	D555	G553-D555 PolarHBondContact O-N 2.7Å
554	H	74.1	Confident	92.1	Very high	97 Å²	97	68.1 Å²	68.1	45%	0.449	38%	0.375	S	S	.	.			trans	-73.9	89.4	171	-86	-74.4	0	0	0	112	P431 L491 V556	P431-H554 WeakPolarHBondContact CG-O 3.22Å; L491-H554 HydrophobicContact CD2-CB 3.88Å; H554-V556 HydrophobicContact CB-CG2 4.09Å; H554-V556 PolarHBondContact O-N 3.48Å
555	D	80.8	Confident	92	Very high	95 Å²	95	74.3 Å²	74.3	51%	0.508	39%	0.389	S	S	.	.			trans	-70.4	67.8	166.3	-179.6	24.6	0	0	0	111.4	K231 G553	K231-D555 WeakPolarHBondContact CE-OD2 3.12Å; K231-D555 IonicContact NZ-OD1 2.71Å; K231-D555 PolarHBondContact NZ-OD1 3.43Å; K231-D555 IonicContact NZ-OD2 2.74Å; K231-D555 PolarHBondContact NZ-OD2 3.23Å; G553-D555 PolarHBondContact O-N 2.7Å
556	V	91.1	Very high	91.9	Very high	64 Å²	64	75.6 Å²	75.6	39%	0.388	40%	0.402	S	S	.	.			trans	-122.4	125.7	-176.7	178.7	0	0	0	0	109	R434 H554	R434-V556 PolarHBondContact NH1-O 2.88Å; R434-V556 PolarHBondContact NH2-O 3.08Å; H554-V556 HydrophobicContact CB-CG2 4.09Å; H554-V556 PolarHBondContact O-N 3.48Å
557	V	95.1	Very high	91.9	Very high	23 Å²	23	73.5 Å²	73.5	14%	0.139	39%	0.392	C	S	.	.			trans	-76.3	128.5	171.8	176.8	0	0	0	0	109.6	C397 E401 L428 L429	C397-V557 WeakPolarHBondContact SG-CG1 3.29Å; E401-V557 HydrophobicContact CG-CB 4.47Å; E401-V557 HydrophobicContact CG-CG1 4.37Å; E401-V557 HydrophobicContact CG-CG2 4.12Å; L428-V557 WeakPolarHBondContact O-CA 3.24Å; L429-V557 HydrophobicContact CD2-CG1 4.19Å; L429-V557 HydrophobicContact CD2-CG2 4.49Å
558	L	96.9	Very high	91.9	Very high	2 Å²	2	77.6 Å²	77.6	1%	0.01	41%	0.411	C	S	.	.			trans	-80.3	134.6	-177	-54.8	-177.5	0	0	0	111.7	L428 F488 L491 F492 P560	L428-L558 HydrophobicContact CB-CB 4.43Å; L428-L558 HydrophobicContact CD2-CB 3.71Å; L428-L558 HydrophobicContact CD2-CD1 4.43Å; L428-L558 PolarHBondContact O-N 3.11Å; F488-L558 HydrophobicContact CB-CD2 4.44Å; F488-L558 HydrophobicContact CD1-CD2 4.09Å; F488-L558 HydrophobicContact CD2-CB 4.36Å; F488-L558 HydrophobicContact CD2-CD1 3.96Å; F488-L558 HydrophobicContact CD2-CD2 4.21Å; F488-L558 HydrophobicContact CD2-CG 4.41Å; F488-L558 HydrophobicContact CE1-CD2 4.43Å; F488-L558 HydrophobicContact CE2-CB 4.04Å; F488-L558 HydrophobicContact CE2-CD1 4.43Å; F488-L558 HydrophobicContact CG-CD1 4.39Å; F488-L558 HydrophobicContact CG-CD2 3.98Å; F488-L558 HydrophobicContact CZ-CB 4.29Å; L491-L558 HydrophobicContact CB-CD2 4.45Å; L491-L558 HydrophobicContact CD1-CD2 3.51Å; F492-L558 HydrophobicContact CE2-CD1 4.12Å; F492-L558 HydrophobicContact CZ-CD1 3.97Å; L558-P560 WeakPolarHBondContact O-CD 3.2Å
559	Q	96.5	Very high	91.9	Very high	106 Å²	106	71 Å²	71	50%	0.495	38%	0.383	S	S	.	.			trans	-121.3	86.3	177.2	-66.5	-61.5	-36.3	0	0	110.1
560	P	97.2	Very high	91.9	Very high	12 Å²	12	65.9 Å²	65.9	8%	0.078	36%	0.356	C	S	.	.			trans	-75.6	153.5	-171.4	28.2	-33.8	0	0	0	113.7	T394 L428 L484 F488 L558 C562	T394-P560 WeakPolarHBondContact OG1-CG 3.43Å; L428-P560 HydrophobicContact CD1-CG 4.33Å; L428-P560 HydrophobicContact CD2-CG 3.91Å; L484-P560 HydrophobicContact CD2-CB 3.57Å; L484-P560 HydrophobicContact CD2-CG 3.89Å; F488-P560 HydrophobicContact CE2-CB 4.15Å; L558-P560 WeakPolarHBondContact O-CD 3.2Å; P560-C562 PolarHBondContact O-N 2.79Å; P560-C562 PolarHBondContact O-SG 2.92Å
561	V	97.1	Very high	91.8	Very high	72 Å²	72	67.3 Å²	67.3	44%	0.436	37%	0.37	S	S	.	.			trans	-82.2	97.3	170.4	-172.1	0	0	0	0	109.1	Q487 H563 A566	Q487-V561 PolarHBondContact NE2-O 3.44Å; V561-H563 VanDerWaalsContact C-N 3.32Å; V561-H563 PolarHBondContact O-N 3.5Å; V561-A566 HydrophobicContact CB-CB 4.06Å; V561-A566 HydrophobicContact CG1-CB 3.52Å
562	C	96.6	Very high	91.8	Very high	11 Å²	11	66.1 Å²	66.1	7%	0.074	37%	0.367	C	S	.	.			trans	-86.2	13.2	-172.7	-51.9	0	0	0	0	115.1	S387 L390 K391 T394 P560	S387-C562 WeakPolarHBondContact CB-O 3.48Å; S387-C562 PolarHBondContact OG-O 3.47Å; L390-C562 HydrophobicContact CB-CB 3.99Å; K391-C562 WeakPolarHBondContact CE-O 3.35Å; K391-C562 HydrophobicContact CG-CB 3.67Å; T394-C562 PolarHBondContact OG1-SG 3.29Å; T394-C562 VanDerWaalsContact OG1-SG 3.34Å; P560-C562 PolarHBondContact O-N 2.79Å; P560-C562 PolarHBondContact O-SG 2.92Å
563	H	94.3	Very high	92	Very high	119 Å²	119	61.8 Å²	61.8	55%	0.551	34%	0.339	S	S	*	.	S	Bend	trans	-82.3	138.2	-179.4	-57.1	104	0	0	0	110.7	V561 R565 A566	V561-H563 VanDerWaalsContact C-N 3.32Å; V561-H563 PolarHBondContact O-N 3.5Å; H563-R565 PolarHBondContact O-N 3.13Å; H563-A566 WeakPolarHBondContact O-CB 3.47Å; H563-A566 PolarHBondContact O-N 3.2Å
564	T	94.5	Very high	93	Very high	59 Å²	59	58.2 Å²	58.2	36%	0.362	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-52.2	-36.9	-177.8	-37.7	0	0	0	0	113.4	L383 A566 L567	L383-T564 HydrophobicContact CB-CG2 3.67Å; T564-A566 PolarHBondContact O-N 3.22Å; T564-L567 PolarHBondContact O-N 2.72Å
565	R	91.6	Very high	93.6	Very high	252 Å²	252	56.4 Å²	56.4	95%	0.951	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-66.6	-13.3	176.9	-65.4	-170.8	-68.7	151.1	-2.3	115	H563	H563-R565 PolarHBondContact O-N 3.13Å
566	A	93.7	Very high	92.8	Very high	41 Å²	41	53.5 Å²	53.5	34%	0.339	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-105.5	0.4	178.1	0	0	0	0	0	113	V561 H563 T564	V561-A566 HydrophobicContact CB-CB 4.06Å; V561-A566 HydrophobicContact CG1-CB 3.52Å; H563-A566 WeakPolarHBondContact O-CB 3.47Å; H563-A566 PolarHBondContact O-N 3.2Å; T564-A566 PolarHBondContact O-N 3.22Å
567	L	97.1	Very high	91	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.063	31%	0.308	C	S	.	.			trans	-97.9	141.3	176.7	-52.5	-173.3	0	0	0	109.8	L383 L386 L390 Q483 T564	L383-L567 HydrophobicContact CD2-CB 4.34Å; L386-L567 HydrophobicContact CB-CD1 3.83Å; L390-L567 HydrophobicContact CD1-CD1 4.06Å; L390-L567 HydrophobicContact CD1-CD2 3.76Å; Q483-L567 HydrophobicContact CB-CD2 4.29Å; Q483-L567 HydrophobicContact CG-CD2 4.15Å; T564-L567 PolarHBondContact O-N 2.72Å
568	Q	94.8	Very high	88.5	Confident	109 Å²	109	59.5 Å²	59.5	51%	0.509	32%	0.32	S	S	.	.			trans	-107.5	142.2	-178.1	-63.9	-178.8	-7.4	0	0	110.1	Q483 K486 W570	Q483-Q568 PolarHBondContact NE2-O 3.14Å; Q483-Q568 PolarHBondContact OE1-O 3.27Å; K486-Q568 VanDerWaalsContact CE-OE1 3.31Å; Q568-W570 PolarHBondContact O-N 3.1Å
569	L	95.3	Very high	85.4	Confident	21 Å²	21	62.7 Å²	62.7	11%	0.11	34%	0.343	C	S	.	.			trans	-64.2	130.2	169.6	-178.6	66	0	0	0	109.4	L360 W373 L377 T571 Y574 L575	L360-L569 HydrophobicContact CD1-CD1 3.84Å; L360-L569 HydrophobicContact CD2-CD1 4.32Å; W373-L569 HydrophobicContact CH2-CD2 4.25Å; W373-L569 HydrophobicContact CZ2-CD2 3.73Å; L377-L569 HydrophobicContact CD1-CD1 4.24Å; L377-L569 HydrophobicContact CD2-CB 4.49Å; L569-T571 VanDerWaalsContact C-N 3.31Å; L569-T571 PolarHBondContact O-N 3.35Å; L569-Y574 HydrophobicContact CD1-CD2 3.55Å; L569-Y574 HydrophobicContact CD1-CE2 4.25Å; L569-Y574 HydrophobicContact CD1-CG 4.42Å; L569-Y574 HydrophobicContact CG-CD2 4.23Å; L569-L575 HydrophobicContact CD2-CD1 3.77Å; L569-L575 HydrophobicContact CD2-CG 4.34Å
570	W	96.3	Very high	82.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.342	C	S	.	.			trans	-75.1	81	-179.9	-167.9	11.2	0	0	0	111.7	L475 L478 D479 H482 E496 L499 V500 V503 Q568 A572 V573 Y574	L475-W570 HydrophobicContact CD1-CZ3 4.29Å; L478-W570 HydrophobicContact CB-CH2 4.25Å; L478-W570 HydrophobicContact CB-CZ3 4.05Å; D479-W570 HydrophobicContact CB-CE3 3.99Å; D479-W570 HydrophobicContact CB-CZ3 4.42Å; H482-W570 HydrophobicContact CB-CD2 3.97Å; H482-W570 HydrophobicContact CB-CE3 4.23Å; H482-W570 HydrophobicContact CB-CG 4.4Å; H482-W570 HydrophobicContact CB-CH2 4.46Å; H482-W570 HydrophobicContact CB-CZ2 4.2Å; H482-W570 HydrophobicContact CB-CZ3 4.46Å; H482-W570 AromaticContact CD2-CD1 3.39Å; H482-W570 AromaticContact CD2-CE2 3.92Å; H482-W570 AromaticContact CD2-CG 3.89Å; H482-W570 AromaticContact CD2-NE1 3.42Å; H482-W570 PolarHBondContact CD2-NE1 2.98Å; H482-W570 AromaticContact CE1-CD1 3.79Å; H482-W570 AromaticContact CE1-CG 3.9Å; H482-W570 AromaticContact CG-CD1 3.75Å; H482-W570 AromaticContact CG-CD2 3.86Å; H482-W570 AromaticContact CG-CE2 3.92Å; H482-W570 AromaticContact CG-CG 3.77Å; H482-W570 AromaticContact CG-NE1 3.85Å; H482-W570 AromaticContact ND1-CD1 3.98Å; H482-W570 AromaticContact ND1-CG 3.77Å; H482-W570 AromaticContact NE2-CD1 3.44Å; H482-W570 AromaticContact NE2-CG 3.99Å; H482-W570 AromaticContact NE2-NE1 3.94Å; E496-W570 VanDerWaalsContact OE1-CD1 3.26Å; E496-W570 PolarHBondContact OE1-NE1 2.9Å; L499-W570 HydrophobicContact CB-CH2 3.78Å; L499-W570 HydrophobicContact CB-CZ2 3.71Å; V500-W570 HydrophobicContact CG2-CZ2 3.71Å; V503-W570 HydrophobicContact CG2-CH2 3.74Å; V503-W570 HydrophobicContact CG2-CZ3 3.89Å; Q568-W570 PolarHBondContact O-N 3.1Å; W570-A572 VanDerWaalsContact C-N 3.32Å; W570-A572 PolarHBondContact O-N 3.31Å; W570-V573 HydrophobicContact CD2-CB 4.22Å; W570-V573 HydrophobicContact CD2-CG2 3.54Å; W570-V573 HydrophobicContact CE3-CB 4.4Å; W570-V573 HydrophobicContact CE3-CG2 3.77Å; W570-V573 HydrophobicContact CG-CB 4.43Å; W570-V573 HydrophobicContact CG-CG2 4.12Å; W570-V573 HydrophobicContact CH2-CG2 3.97Å; W570-V573 HydrophobicContact CZ2-CG2 3.75Å; W570-V573 HydrophobicContact CZ3-CG2 3.98Å; W570-V573 PolarHBondContact O-N 3.12Å; W570-V573 VanDerWaalsContact O-N 3.16Å; W570-Y574 HydrophobicContact CB-CD2 3.95Å; W570-Y574 HydrophobicContact CB-CE2 3.75Å; W570-Y574 WeakPolarHBondContact O-CD2 3.27Å; W570-Y574 PolarHBondContact O-N 3.26Å
571	T	92.5	Very high	79.1	Confident	81 Å²	81	64 Å²	64	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-59.1	-37.6	-172.5	54.9	0	0	0	0	113.3	L569 V573 Y574 L575	L569-T571 VanDerWaalsContact C-N 3.31Å; L569-T571 PolarHBondContact O-N 3.35Å; T571-V573 PolarHBondContact O-N 3.41Å; T571-V573 VanDerWaalsContact O-N 3.12Å; T571-Y574 PolarHBondContact O-N 3.32Å; T571-L575 HydrophobicContact CG2-CD1 4.36Å; T571-L575 CarbonylContact O-C 3.55Å; T571-L575 WeakPolarHBondContact O-CA 3.48Å; T571-L575 PolarHBondContact O-N 3.39Å
572	A	92.3	Very high	75.9	Confident	41 Å²	41	66.2 Å²	66.2	34%	0.339	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-22.6	179.6	0	0	0	0	0	114.3	E496 V500 W570	E496-A572 VanDerWaalsContact OE1-CB 3.22Å; E496-A572 WeakPolarHBondContact OE1-CB 3.32Å; V500-A572 HydrophobicContact CG2-CB 3.97Å; W570-A572 VanDerWaalsContact C-N 3.32Å; W570-A572 PolarHBondContact O-N 3.31Å
573	V	93.1	Very high	72.7	Confident	2 Å²	2	71 Å²	71	1%	0.012	42%	0.415	C	S	.	.	H	α-helix	trans	-97.8	-52.6	173	-177.6	0	0	0	0	110.7	D97 L475 V500 V503 W570 T571	D97-V573 HydrophobicContact CB-CG1 4.27Å; L475-V573 HydrophobicContact CD1-CG1 4.36Å; V500-V573 HydrophobicContact CG2-CG2 4.04Å; V503-V573 HydrophobicContact CG1-CG1 4.1Å; W570-V573 HydrophobicContact CD2-CB 4.22Å; W570-V573 HydrophobicContact CD2-CG2 3.54Å; W570-V573 HydrophobicContact CE3-CB 4.4Å; W570-V573 HydrophobicContact CE3-CG2 3.77Å; W570-V573 HydrophobicContact CG-CB 4.43Å; W570-V573 HydrophobicContact CG-CG2 4.12Å; W570-V573 HydrophobicContact CH2-CG2 3.97Å; W570-V573 HydrophobicContact CZ2-CG2 3.75Å; W570-V573 HydrophobicContact CZ3-CG2 3.98Å; W570-V573 PolarHBondContact O-N 3.12Å; W570-V573 VanDerWaalsContact O-N 3.16Å; T571-V573 PolarHBondContact O-N 3.41Å; T571-V573 VanDerWaalsContact O-N 3.12Å
574	Y	92.9	Very high	69.6	Low	3 Å²	3	71.4 Å²	71.4	1%	0.012	43%	0.426	C	S	.	.	H	α-helix	trans	-90.3	-20.4	-166.1	-51.1	-42.9	0	0	0	115.2	F357 L360 W382 L475 D479 L569 W570 T571	F357-Y574 HydrophobicContact CE2-CD1 4.24Å; F357-Y574 AromaticContact CE2-CE1 3.67Å; F357-Y574 HydrophobicContact CE2-CE1 3.67Å; F357-Y574 HydrophobicContact CZ-CE1 4.23Å; L360-Y574 HydrophobicContact CD2-CD2 4.14Å; L360-Y574 HydrophobicContact CD2-CE2 4.22Å; L360-Y574 HydrophobicContact CD2-CG 4.31Å; W382-Y574 WeakPolarHBondContact CZ2-OH 3.26Å; W382-Y574 AromaticContact NE1-CE2 3.94Å; L475-Y574 HydrophobicContact CD1-CE1 4.25Å; L475-Y574 HydrophobicContact CD2-CE1 4.29Å; D479-Y574 WeakPolarHBondContact OD2-CE2 3.39Å; D479-Y574 PolarHBondContact OD2-OH 3.24Å; L569-Y574 HydrophobicContact CD1-CD2 3.55Å; L569-Y574 HydrophobicContact CD1-CE2 4.25Å; L569-Y574 HydrophobicContact CD1-CG 4.42Å; L569-Y574 HydrophobicContact CG-CD2 4.23Å; W570-Y574 HydrophobicContact CB-CD2 3.95Å; W570-Y574 HydrophobicContact CB-CE2 3.75Å; W570-Y574 WeakPolarHBondContact O-CD2 3.27Å; W570-Y574 PolarHBondContact O-N 3.26Å; T571-Y574 PolarHBondContact O-N 3.32Å
575	L	85.4	Confident	66.4	Low	59 Å²	59	75 Å²	75	31%	0.309	44%	0.443	S	S	.	.	S	Bend	trans	-133.9	60.8	178.3	-66.8	174.4	0	0	0	111.5	C364 W373 L569 T571	C364-L575 HydrophobicContact CB-CD2 3.67Å; C364-L575 HydrophobicContact CB-CG 4.4Å; C364-L575 WeakPolarHBondContact O-CD2 3.46Å; W373-L575 HydrophobicContact CH2-CD1 3.96Å; W373-L575 HydrophobicContact CH2-CD2 4.39Å; W373-L575 HydrophobicContact CZ2-CD1 3.98Å; L569-L575 HydrophobicContact CD2-CD1 3.77Å; L569-L575 HydrophobicContact CD2-CG 4.34Å; T571-L575 HydrophobicContact CG2-CD1 4.36Å; T571-L575 CarbonylContact O-C 3.55Å; T571-L575 WeakPolarHBondContact O-CA 3.48Å; T571-L575 PolarHBondContact O-N 3.39Å
576	P	64.4	Low	63.4	Low	34 Å²	34	73.2 Å²	73.2	22%	0.221	45%	0.445	C	S	.	.			trans	-70.4	143.8	-178.7	-2.8	18.3	0	0	0	111.4	K99 S578 S579	K99-P576 HydrophobicContact CD-CG 3.96Å; K99-P576 HydrophobicContact CG-CG 3.84Å; P576-S578 PolarHBondContact O-N 3.4Å; P576-S579 PolarHBondContact O-N 3.38Å
577	T	53.8	Low	60.6	Low	157 Å²	157	75.6 Å²	75.6	96%	0.963	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	5.5	-176.9	45.8	0	0	0	0	115.7
578	S	43.2	Very low	57.4	Low	57 Å²	57	80.4 Å²	80.4	40%	0.399	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	12.2	178.3	54.3	0	0	0	0	114.6	P576 P580	P576-S578 PolarHBondContact O-N 3.4Å; S578-P580 WeakPolarHBondContact O-CD 3.18Å
579	S	31	Very low	54.3	Low	69 Å²	69	84.6 Å²	84.6	48%	0.483	51%	0.509	S	S	.	.			trans	-73.3	117.5	168.9	-175.6	0	0	0	0	110.8	P576 C581	P576-S579 PolarHBondContact O-N 3.38Å; S579-C581 PolarHBondContact O-N 2.92Å
580	P	31.3	Very low	51.2	Low	73 Å²	73	90 Å²	90	47%	0.474	54%	0.537	S	S	.	.			trans	-79.1	72.9	178.8	33.7	-35	0	0	0	110.8	S578	S578-P580 WeakPolarHBondContact O-CD 3.18Å
581	C	30.5	Very low	48.1	Very low	73 Å²	73	100.1 Å²	100.1	49%	0.493	58%	0.577	S	S	.	*			trans	-79.7	137.5	159.8	-69.1	0	0	0	0	108.8	S579	S579-C581 PolarHBondContact O-N 2.92Å
582	T	29	Very low	45	Very low	117 Å²	117	104 Å²	104	72%	0.718	59%	0.594	S	S	*	*			trans	-57.1	147.4	-177.5	46.7	0	0	0	0	111.9	V584	T582-V584 WeakPolarHBondContact O-CG2 3.39Å; T582-V584 PolarHBondContact O-N 3.06Å
583	A	29.7	Very low	42	Very low	111 Å²	111	107.7 Å²	107.7	92%	0.917	61%	0.614	S	S	*	*			trans	-51	114.9	175.7	0	0	0	0	0	111.8
584	V	28.7	Very low	39	Very low	128 Å²	128	113.6 Å²	113.6	78%	0.776	65%	0.653	S	S	*	*			trans	-119.3	145.6	163	-162.6	0	0	0	0	105.6	T582	T582-V584 WeakPolarHBondContact O-CG2 3.39Å; T582-V584 PolarHBondContact O-N 3.06Å
585	D	27.5	Very low	35.9	Very low	136 Å²	136	119.9 Å²	119.9	73%	0.727	70%	0.695	S	S	*	*			trans	-44.8	149.6	-168.5	-92	-52.4	0	0	0	116.1	S587	D585-S587 PolarHBondContact O-N 2.93Å
586	E	29.9	Very low	33.3	Very low	213 Å²	213	121.9 Å²	121.9	100%	0.995	72%	0.721	S	S	*	*	S	Bend	trans	-70	61.9	166.6	-64.8	-174	119.5	0	0	110.7
587	S	33.5	Very low	31.7	Very low	92 Å²	92	125.4 Å²	125.4	64%	0.643	75%	0.753	S	S	*	*			trans	-138.4	16.6	-173	74.7	0	0	0	0	114.4	D585	D585-S587 PolarHBondContact O-N 2.93Å
588	V	31.2	Very low	30.4	Very low	112 Å²	112	121.6 Å²	121.6	68%	0.679	74%	0.744	S	S	*	*			trans	-117	57.6	176	-166.2	0	0	0	0	110.2	L590	V588-L590 HydrophobicContact CG1-CD2 4.26Å; V588-L590 HydrophobicContact CG1-CG 4.47Å
589	E	28.6	Very low	29.6	Very low	198 Å²	198	127 Å²	127	93%	0.925	77%	0.769	S	S	*	*			trans	-76.8	118.1	163.9	-170.2	168.5	-138.1	0	0	108.5	Y591	E589-Y591 PolarHBondContact O-N 3.36Å
590	L	30.5	Very low	29.6	Very low	133 Å²	133	132 Å²	132	70%	0.696	79%	0.785	S	S	*	*			trans	-85.1	103.2	-168.1	-76.1	169.6	0	0	0	112.6	V588	V588-L590 HydrophobicContact CG1-CD2 4.26Å; V588-L590 HydrophobicContact CG1-CG 4.47Å
591	Y	30.6	Very low	29.5	Very low	213 Å²	213	136.2 Å²	136.2	84%	0.835	80%	0.802	S	S	*	*			trans	54.2	89.1	155	-71.9	-89.6	0	0	0	117.7	E589	E589-Y591 PolarHBondContact O-N 3.36Å
592	L	28.9	Very low	29.4	Very low	164 Å²	164	138.5 Å²	138.5	86%	0.859	81%	0.814	S	S	*	*			trans	-110.5	144.3	140.6	-69.9	175.1	0	0	0	109
593	P	28.7	Very low	29.5	Very low	117 Å²	117	138.4 Å²	138.4	76%	0.76	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-75.4	143.3	-177.2	30.5	-34.7	0	0	0	112
594	P	30.4	Very low	29.8	Very low	127 Å²	127	144.4 Å²	144.4	83%	0.825	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80	136.2	-176.8	31.5	-34.8	0	0	0	113
595	C	27.3	Very low	30	Very low	134 Å²	134	143.9 Å²	143.9	91%	0.905	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-97.8	157.3	157.8	-90	0	0	0	0	110.5
596	A	31.4	Very low	30.1	Very low	102 Å²	102	144.9 Å²	144.9	84%	0.843	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-83.2	138.8	-157.1	0	0	0	0	0	116.2
597	A	29.8	Very low	30.3	Very low	108 Å²	108	142.4 Å²	142.4	89%	0.893	82%	0.817	S	S	*	*			trans	24.7	124.6	149.3	0	0	0	0	0	120.7
598	G	26.2	Very low	30.7	Very low	76 Å²	76	149.2 Å²	149.2	78%	0.784	83%	0.829	S	S	*	*			trans	-170.1	79.8	170.1	0	0	0	0	0	115.5
599	D	26.7	Very low	30.7	Very low	171 Å²	171	150.8 Å²	150.8	91%	0.914	83%	0.833	S	S	*	*			trans	68.2	148.5	162.2	-121.5	-4.7	0	0	0	120.8
600	E	32.6	Very low	30.7	Very low	175 Å²	175	147 Å²	147	82%	0.818	83%	0.825	S	S	*	*			trans	-89	142.1	173.1	-60.6	-177.6	106.1	0	0	111.1
601	L	27.9	Very low	30.8	Very low	160 Å²	160	150.5 Å²	150.5	84%	0.838	84%	0.835	S	S	*	*			trans	-163.7	110	148.1	-110.7	159.9	0	0	0	114.5
602	T	27.9	Very low	30.9	Very low	122 Å²	122	146.9 Å²	146.9	75%	0.748	84%	0.835	S	S	*	*			trans	10.7	131	158.1	60.4	0	0	0	0	120.9	R604	T602-R604 PolarHBondContact O-N 3.43Å
603	S	32.1	Very low	31.1	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	83%	0.832	S	S	*	*	S	Bend	trans	-66.1	110.9	167.9	47.8	0	0	0	0	113.8
604	R	35.7	Very low	31.5	Very low	237 Å²	237	147.3 Å²	147.3	89%	0.894	82%	0.822	S	S	*	*			trans	175.1	90.4	147.9	-100.8	164.9	177.2	-169.7	0.2	112.3	T602	T602-R604 PolarHBondContact O-N 3.43Å
605	S	33.8	Very low	31.7	Very low	117 Å²	117	147.4 Å²	147.4	82%	0.818	81%	0.813	S	S	*	*			trans	163.6	92.9	141.6	-77.1	0	0	0	0	112.2
606	L	28.6	Very low	32.3	Very low	156 Å²	156	146 Å²	146	82%	0.817	80%	0.797	S	S	*	*			trans	-142	39	158.7	-82.7	-173.5	0	0	0	111.8
607	D	33.8	Very low	32.8	Very low	161 Å²	161	145 Å²	145	86%	0.861	78%	0.777	S	S	*	*			trans	-72.1	130.1	152.4	-104.7	-49.2	0	0	0	108.1
608	R	42.3	Very low	33.3	Very low	235 Å²	235	144.7 Å²	144.7	89%	0.887	76%	0.76	S	S	*	*			trans	77.8	81.8	-178.6	-49.4	173.1	177.3	-172.9	-1.9	117
609	L	31.5	Very low	34	Very low	146 Å²	146	146.5 Å²	146.5	76%	0.764	75%	0.751	S	S	*	*			trans	-120.7	152.6	137	-79.9	173.9	0	0	0	109.2
610	P	28.1	Very low	34.7	Very low	117 Å²	117	141.6 Å²	141.6	76%	0.76	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-76.6	140	-166.7	29.6	-34.7	0	0	0	112.8	T612	P610-T612 PolarHBondContact O-N 2.96Å
611	K	32.7	Very low	35.1	Very low	207 Å²	207	135.5 Å²	135.5	90%	0.9	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-63.8	119.8	173.8	-65.8	-177.2	177.6	-175.7	0	110.5
612	T	33.3	Very low	35.8	Very low	137 Å²	137	134.6 Å²	134.6	84%	0.84	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-63.3	148.6	159.6	42.9	0	0	0	0	109.7	P610	P610-T612 PolarHBondContact O-N 2.96Å
613	R	33	Very low	36.3	Very low	213 Å²	213	136.7 Å²	136.7	80%	0.804	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-77.5	134.2	-172.9	-75.3	-177.1	169.9	-171.9	-5.4	111.5
614	S	36.8	Very low	36.6	Very low	78 Å²	78	137 Å²	137	55%	0.545	70%	0.698	S	S	.	*	P	Polyproline II helix	trans	-68.8	158	169.8	-177.1	0	0	0	0	112	D616 N617	S614-D616 WeakPolarHBondContact CB-OD2 3.42Å; S614-D616 PolarHBondContact O-N 3.26Å; S614-D616 PolarHBondContact OG-OD2 2.74Å; S614-N617 PolarHBondContact O-N 2.81Å; S614-N617 PolarHBondContact O-ND2 3Å
615	M	34.2	Very low	36.8	Very low	128 Å²	128	129 Å²	129	63%	0.631	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	-21.1	-173.9	-120.5	-75.4	-74.7	0	0	114.3	N617 L618	M615-N617 PolarHBondContact O-N 2.7Å; M615-L618 PolarHBondContact O-N 3.01Å; M615-L618 VanDerWaalsContact O-N 3.08Å; M615-L618 HydrophobicContact SD-CB 4.34Å; M615-L618 HydrophobicContact SD-CD1 3.74Å
616	D	39.5	Very low	37	Very low	106 Å²	106	130.5 Å²	130.5	57%	0.567	69%	0.688	S	S	*	*	H	α-helix	trans	-54.6	-30.1	-177.4	-45.4	-85.5	0	0	0	113.3	S614 L618	S614-D616 WeakPolarHBondContact CB-OD2 3.42Å; S614-D616 PolarHBondContact O-N 3.26Å; S614-D616 PolarHBondContact OG-OD2 2.74Å; D616-L618 VanDerWaalsContact C-N 3.34Å; D616-L618 PolarHBondContact O-N 3.19Å
617	N	41.8	Very low	37.2	Very low	79 Å²	79	128.7 Å²	128.7	42%	0.422	69%	0.686	S	S	.	*	H	α-helix	trans	-77.1	-15.3	-177	-66.3	-99.4	0	0	0	113.9	S614 M615	S614-N617 PolarHBondContact O-N 2.81Å; S614-N617 PolarHBondContact O-ND2 3Å; M615-N617 PolarHBondContact O-N 2.7Å
618	L	40.3	Very low	37.3	Very low	102 Å²	102	128.3 Å²	128.3	53%	0.534	68%	0.683	S	S	.	*	H	α-helix	trans	-79.3	-32	179.8	-82.4	165.1	0	0	0	112.4	M615 D616 A621 L622	M615-L618 PolarHBondContact O-N 3.01Å; M615-L618 VanDerWaalsContact O-N 3.08Å; M615-L618 HydrophobicContact SD-CB 4.34Å; M615-L618 HydrophobicContact SD-CD1 3.74Å; D616-L618 VanDerWaalsContact C-N 3.34Å; D616-L618 PolarHBondContact O-N 3.19Å; L618-A621 PolarHBondContact O-N 3.37Å; L618-L622 PolarHBondContact O-N 3.33Å
619	L	40.8	Very low	36.9	Very low	114 Å²	114	123.7 Å²	123.7	60%	0.597	68%	0.681	S	S	*	*	H	α-helix	trans	-68	-45.4	177	-63.4	175.2	0	0	0	110.9	A621 L622 E623	L619-A621 PolarHBondContact O-N 2.8Å; L619-L622 PolarHBondContact O-N 2.91Å; L619-L622 VanDerWaalsContact O-N 3.17Å; L619-E623 PolarHBondContact O-N 3.07Å
620	S	42.4	Very low	36.9	Very low	69 Å²	69	128 Å²	128	48%	0.483	69%	0.687	S	S	.	*	H	α-helix	trans	-64.3	-23	177.5	-45.6	0	0	0	0	114.2	N624	S620-N624 PolarHBondContact O-ND2 3.22Å
621	A	39.9	Very low	37.1	Very low	46 Å²	46	129 Å²	129	38%	0.38	69%	0.691	S	S	.	*	H	α-helix	trans	-78.1	-36.6	175.5	0	0	0	0	0	112.1	L618 L619 N624	L618-A621 PolarHBondContact O-N 3.37Å; L619-A621 PolarHBondContact O-N 2.8Å; A621-N624 PolarHBondContact O-N 2.89Å
622	L	42.9	Very low	37.1	Very low	142 Å²	142	124.3 Å²	124.3	74%	0.743	69%	0.685	S	S	*	*	H	α-helix	trans	-70.3	-30.6	-179.9	-80	163.3	0	0	0	113.3	L618 L619 N624	L618-L622 PolarHBondContact O-N 3.33Å; L619-L622 PolarHBondContact O-N 2.91Å; L619-L622 VanDerWaalsContact O-N 3.17Å; L622-N624 PolarHBondContact O-N 3.29Å
623	E	38.6	Very low	36.9	Very low	166 Å²	166	123.4 Å²	123.4	78%	0.776	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-17.9	174.3	-71.5	-176.6	126.7	0	0	113.8	L619	L619-E623 PolarHBondContact O-N 3.07Å
624	N	38.5	Very low	36.7	Very low	120 Å²	120	121.2 Å²	121.2	64%	0.642	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	9.6	-171.4	-69.9	-74.6	0	0	0	114.8	S620 A621 L622 L626	S620-N624 PolarHBondContact O-ND2 3.22Å; A621-N624 PolarHBondContact O-N 2.89Å; L622-N624 PolarHBondContact O-N 3.29Å; N624-L626 VanDerWaalsContact C-N 3.34Å; N624-L626 PolarHBondContact O-N 2.96Å; N624-L626 VanDerWaalsContact O-N 3.09Å
625	G	40.9	Very low	36.5	Very low	71 Å²	71	122.3 Å²	122.3	73%	0.732	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.5	14.6	157	0	0	0	0	0	118.9
626	L	37.3	Very low	36.1	Very low	147 Å²	147	123.4 Å²	123.4	77%	0.77	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-97.3	137.6	-179.5	-72.6	170.6	0	0	0	112.9	N624	N624-L626 VanDerWaalsContact C-N 3.34Å; N624-L626 PolarHBondContact O-N 2.96Å; N624-L626 VanDerWaalsContact O-N 3.09Å
627	P	33.8	Very low	35.9	Very low	118 Å²	118	126.2 Å²	126.2	77%	0.766	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-78.2	133.3	-179	31.2	-34.4	0	0	0	112.3
628	L	34.8	Very low	35.4	Very low	153 Å²	153	127.9 Å²	127.9	80%	0.801	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-95	121.6	175.9	-66.6	174.1	0	0	0	111.1
629	T	34	Very low	35.1	Very low	138 Å²	138	131.3 Å²	131.3	85%	0.847	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-84.6	142.5	174.9	46.6	0	0	0	0	111.7
630	R	32.3	Very low	34.5	Very low	237 Å²	237	134.5 Å²	134.5	89%	0.894	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-93.6	122.9	-177.5	-179.8	-177.7	-179.6	-176	0.6	110.5
631	T	30.9	Very low	33.8	Very low	138 Å²	138	135.7 Å²	135.7	85%	0.847	76%	0.755	S	S	*	*			trans	-113	151.7	162.4	50.5	0	0	0	0	110.1
632	S	33.2	Very low	33.3	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	77%	0.774	S	S	*	*			trans	-132.2	137.2	-174.1	53.6	0	0	0	0	110.4
633	S	29	Very low	32.7	Very low	118 Å²	118	143.8 Å²	143.8	83%	0.825	78%	0.781	S	S	*	*			trans	-151.9	106.2	174	57.7	0	0	0	0	110.9
634	D	28.7	Very low	32	Very low	167 Å²	167	139.3 Å²	139.3	89%	0.893	78%	0.779	S	S	*	*			trans	-116.8	137.9	155.3	-107.7	-44.4	0	0	0	107.9
635	P	32.4	Very low	31.9	Very low	101 Å²	101	145.2 Å²	145.2	66%	0.656	79%	0.792	S	S	*	*			trans	-101.7	165.3	-166.8	38.4	-36.3	0	0	0	115.2
636	N	26.8	Very low	32	Very low	151 Å²	151	147.1 Å²	147.1	81%	0.807	79%	0.792	S	S	*	*			trans	78.8	113.6	166.9	-67.1	-62.3	0	0	0	118.9
637	L	33.9	Very low	31.7	Very low	165 Å²	165	144.5 Å²	144.5	86%	0.864	79%	0.792	S	S	*	*			trans	-136.2	132.3	165.3	-167.1	152.9	0	0	0	107.7
638	N	30.9	Very low	32.2	Very low	115 Å²	115	145.1 Å²	145.1	62%	0.615	80%	0.796	S	S	*	*			trans	-166.6	145.5	177.9	-93.1	-44.2	0	0	0	108.5
639	K	35.1	Very low	32.1	Very low	173 Å²	173	146.3 Å²	146.3	75%	0.752	80%	0.797	S	S	*	*			cis	-172.2	134.2	-17.2	-138.6	-178.3	-151.8	134.6	0	110.2
640	H	28.5	Very low	33.1	Very low	181 Å²	181	144.4 Å²	144.4	84%	0.838	79%	0.787	S	S	*	*			trans	166.9	149.4	152.5	-107	-130.6	0	0	0	108.7
641	C	27.9	Very low	33.1	Very low	95 Å²	95	138.3 Å²	138.3	64%	0.642	78%	0.781	S	S	*	*			cis	-154.4	-163.7	-20.2	-137.2	0	0	0	0	112
642	Q	29.4	Very low	33.3	Very low	169 Å²	169	136.5 Å²	136.5	79%	0.79	78%	0.78	S	S	*	*			trans	-67.1	173.9	-169.8	-62.8	165.5	-9.6	0	0	113.9
643	E	29.4	Very low	33	Very low	189 Å²	189	135.1 Å²	135.1	88%	0.883	78%	0.783	S	S	*	*			cis	-164.4	158.2	31.9	-162.7	168.3	-153.8	0	0	113.4
644	G	24.3	Very low	33.1	Very low	72 Å²	72	133.9 Å²	133.9	74%	0.742	78%	0.779	S	S	*	*			trans	155.5	152.3	173	0	0	0	0	0	116.8
645	R	35.8	Very low	33.2	Very low	243 Å²	243	134 Å²	134	92%	0.917	78%	0.78	S	S	*	*			trans	-158	174.8	-172.6	-109.2	-176.6	179.6	178.7	0.5	111.3
646	P	43.3	Very low	32.8	Very low	111 Å²	111	136.2 Å²	136.2	72%	0.721	79%	0.786	S	S	*	*			cis	-138.5	151.8	-1.4	34.4	-13.5	0	0	0	119.2
647	A	30.2	Very low	33.9	Very low	93 Å²	93	133.3 Å²	133.3	77%	0.769	78%	0.776	S	S	*	*				62.5	165.1	128.5	0	0	0	0	0	122.7
648	P	44.3	Very low	33.6	Very low	131 Å²	131	130.8 Å²	130.8	85%	0.851	77%	0.772	S	S	*	*			cis	-128.3	-166.1	3.1	42.3	-24.1	0	0	0	117.2
649	E	33.8	Very low	33.5	Very low	177 Å²	177	130.1 Å²	130.1	83%	0.827	78%	0.782	S	S	*	*			trans	-110.2	-166.3	-161.7	-112.1	-166.8	-119.6	0	0	114.2
650	P	54	Low	33.1	Very low	99 Å²	99	125.4 Å²	125.4	64%	0.643	78%	0.783	S	S	*	*			cis	-146.5	168	14.3	41.9	-21	0	0	0	121.3
651	S	33.5	Very low	33.2	Very low	108 Å²	108	128.4 Å²	128.4	76%	0.755	79%	0.787	S	S	*	*			trans	65.5	153.3	142	65.8	0	0	0	0	124.1
652	A	34.3	Very low	33.2	Very low	100 Å²	100	128.2 Å²	128.2	83%	0.826	79%	0.787	S	S	*	*			cis	-174.3	150.1	-23.2	0	0	0	0	0	114.3
653	G	27.1	Very low	33.2	Very low	80 Å²	80	128.5 Å²	128.5	83%	0.825	79%	0.788	S	S	*	*			trans	74.7	165.3	154.7	0	0	0	0	0	120.4
654	A	31.1	Very low	33.2	Very low	91 Å²	91	126.1 Å²	126.1	75%	0.752	78%	0.782	S	S	*	*			cis	-169.1	152.3	-21.5	0	0	0	0	0	112.7
655	D	30.6	Very low	33.4	Very low	169 Å²	169	129.7 Å²	129.7	90%	0.904	78%	0.784	S	S	*	*			trans	65.4	166.4	154.2	-58.7	-24.3	0	0	0	124.7
656	D	24.4	Very low	34.2	Very low	148 Å²	148	123 Å²	123	79%	0.791	77%	0.771	S	S	*	*			trans	-102.9	-166.9	-164.4	-159.4	26.9	0	0	0	110.9
657	P	50.4	Low	33.5	Very low	90 Å²	90	122.9 Å²	122.9	58%	0.584	77%	0.769	S	S	*	*			cis	-130.9	168.5	-26.9	11	15.1	0	0	0	117.1
658	S	27.8	Very low	33.7	Very low	112 Å²	112	127.1 Å²	127.1	78%	0.783	77%	0.773	S	S	*	*			trans	77.1	149.3	137	74.4	0	0	0	0	125.6
659	A	28.5	Very low	33	Very low	101 Å²	101	129.4 Å²	129.4	84%	0.835	77%	0.772	S	S	*	*			trans	96.7	124.9	138.3	0	0	0	0	0	122.6
660	G	26.8	Very low	33.1	Very low	75 Å²	75	125.2 Å²	125.2	77%	0.773	77%	0.768	S	S	*	*			trans	83.2	159.2	159.4	0	0	0	0	0	117.2
661	R	29.3	Very low	33.2	Very low	243 Å²	243	126 Å²	126	92%	0.917	77%	0.773	S	S	*	*			cis	171.5	152	-35.4	-118	-167.9	176.1	-144.2	-0.4	107
662	S	28.3	Very low	33.6	Very low	91 Å²	91	128.7 Å²	128.7	64%	0.636	78%	0.778	S	S	*	*			trans	57.3	102.8	158.8	52	0	0	0	0	121
663	E	30.1	Very low	34.8	Very low	175 Å²	175	129.7 Å²	129.7	82%	0.818	78%	0.776	S	S	*	*				67.4	133.2	111.3	-66.6	155	147.4	0	0	123.3
664	D	30.2	Very low	35.3	Very low	139 Å²	139	130.5 Å²	130.5	74%	0.743	78%	0.775	S	S	*	*			trans	64.8	109.3	146.4	-61.1	-12.8	0	0	0	124.8
665	N	26.5	Very low	35.6	Very low	148 Å²	148	131.1 Å²	131.1	79%	0.791	78%	0.78	S	S	*	*				40.1	159.9	108.6	-90.4	-21.5	0	0	0	122.4
666	P	54.6	Low	35.6	Very low	101 Å²	101	126.8 Å²	126.8	66%	0.656	78%	0.775	S	S	*	*			cis	-141.7	-154.9	-19.4	37.9	-15.5	0	0	0	114.4
667	T	28.3	Very low	37.2	Very low	109 Å²	109	126.2 Å²	126.2	67%	0.669	78%	0.78	S	S	*	*			trans	88.9	111.7	149.7	23.8	0	0	0	0	124.6
668	E	34.3	Very low	36.3	Very low	182 Å²	182	125.5 Å²	125.5	85%	0.85	79%	0.789	S	S	*	*				80.6	159.2	124.2	-90.3	-176.1	139.8	0	0	127.9
669	E	28.3	Very low	36.6	Very low	179 Å²	179	126.5 Å²	126.5	84%	0.836	79%	0.79	S	S	*	*			trans	81.5	103.8	164	-61.7	-152	126.2	0	0	125.5
670	A	36.5	Very low	36.8	Very low	89 Å²	89	128.9 Å²	128.9	74%	0.736	79%	0.789	S	S	*	*				73.2	174.5	122.5	0	0	0	0	0	122.6
671	P	57.1	Low	37.2	Very low	117 Å²	117	133.2 Å²	133.2	76%	0.76	79%	0.789	S	S	*	*				-137.3	163.4	-67.4	41.3	-26.5	0	0	0	118.4
672	L	40.5	Very low	37.4	Very low	164 Å²	164	126.8 Å²	126.8	86%	0.859	77%	0.773	S	S	*	*			trans	18.9	150.3	149	-69.6	175.5	0	0	0	123.3
673	P	58.9	Low	37.7	Very low	121 Å²	121	129.9 Å²	129.9	79%	0.786	78%	0.776	S	S	*	*				-161.9	165	56.2	44	-21.1	0	0	0	123.4
674	A	37.8	Very low	37.9	Very low	96 Å²	96	129.6 Å²	129.6	79%	0.793	77%	0.773	S	S	*	*			trans	56.1	113.3	137.5	0	0	0	0	0	128.9
675	A	38.5	Very low	37.9	Very low	105 Å²	105	128.4 Å²	128.4	87%	0.868	78%	0.775	S	S	*	*				73.7	116.2	114.9	0	0	0	0	0	128.6
676	G	30.7	Very low	38	Very low	77 Å²	77	124.6 Å²	124.6	79%	0.794	77%	0.77	S	S	*	*			trans	79.1	166.8	133.7	0	0	0	0	0	122
677	P	57	Low	36.9	Very low	136 Å²	136	125.9 Å²	125.9	88%	0.883	78%	0.782	S	S	*	*			cis	-142.2	159.7	-8.5	42.1	-23.7	0	0	0	119.2
678	G	31.2	Very low	36.9	Very low	75 Å²	75	124.2 Å²	124.2	77%	0.773	79%	0.787	S	S	*	*			trans	84.7	174.6	149.8	0	0	0	0	0	121.2
679	V	34.5	Very low	36.7	Very low	134 Å²	134	119.8 Å²	119.8	81%	0.812	78%	0.781	S	S	*	*			cis	-157.6	146.3	-15	-164.7	0	0	0	0	112.3
680	D	33.7	Very low	36.7	Very low	151 Å²	151	119.6 Å²	119.6	81%	0.807	78%	0.78	S	S	*	*			trans	15	146.7	161.2	-61.5	-31.7	0	0	0	130.3
681	E	34.8	Very low	36.3	Very low	166 Å²	166	123.6 Å²	123.6	78%	0.776	78%	0.784	S	S	*	*			trans	90.2	116.7	136.4	-85.3	-130.2	157	0	0	127.4
682	N	33	Very low	34.9	Very low	108 Å²	108	126.4 Å²	126.4	58%	0.578	79%	0.787	S	S	*	*				85.6	111.4	128.1	-98.1	-26.5	0	0	0	127.8
683	H	34.8	Very low	35.4	Very low	155 Å²	155	123.1 Å²	123.1	72%	0.718	78%	0.775	S	S	*	*				73.1	122.2	125.6	-94.6	-16.2	0	0	0	126.6
684	K	34.2	Very low	33.7	Very low	170 Å²	170	122.7 Å²	122.7	74%	0.739	77%	0.774	S	S	*	*				95.8	114	127	-91.9	-177.8	179.9	177.1	0	124.2
685	S	31.5	Very low	33.1	Very low	114 Å²	114	124.9 Å²	124.9	80%	0.797	77%	0.772	S	S	*	*				61.9	132.2	128.8	65.3	0	0	0	0	124.2
686	G	28.2	Very low	32.5	Very low	67 Å²	67	125.1 Å²	125.1	69%	0.691	76%	0.762	S	S	*	*				133.6	104.3	119.4	0	0	0	0	0	120.3
687	S	31.8	Very low	32.3	Very low	129 Å²	129	127.1 Å²	127.1	90%	0.902	76%	0.759	S	S	*	*			trans	37	138.4	138.9	60	0	0	0	0	123.8
688	G	27.3	Very low	31	Very low	74 Å²	74	128.4 Å²	128.4	76%	0.763	75%	0.754	S	S	*	*			trans	154.6	100.1	140	0	0	0	0	0	121
689	A	30.3	Very low	31.1	Very low	89 Å²	89	130.1 Å²	130.1	74%	0.736	75%	0.751	S	S	*	*			trans	66.8	144.9	132.7	0	0	0	0	0	126
690	E	29.2	Very low	31.4	Very low	175 Å²	175	131 Å²	131	82%	0.818	75%	0.75	S	S	*	*			trans	84.3	115.2	139.3	-77.8	157.8	-154.2	0	0	125.8
691	E	27.2	Very low	31.1	Very low	173 Å²	173	128.9 Å²	128.9	81%	0.808	75%	0.745	S	S	*	*				76.5	137.3	129.8	-72	-170.9	170.7	0	0	128
692	E	28.5	Very low	30.7	Very low	175 Å²	175	125.9 Å²	125.9	82%	0.818	74%	0.742	S	S	*	*			trans	68.2	150.8	149.9	-75.5	-75.7	99	0	0	123.5
693	P	51	Low	30.7	Very low	95 Å²	95	127.1 Å²	127.1	62%	0.617	76%	0.756	S	S	*	*			trans	-125.2	167.5	-166.1	44.2	-31.9	0	0	0	116.2
694	C	23.6	Very low	30.5	Very low	112 Å²	112	124.8 Å²	124.8	76%	0.757	76%	0.755	S	S	*	*			trans	-173.7	146.5	132.8	-104.8	0	0	0	0	116.5
695	L	24.9	Very low	30.4	Very low	143 Å²	143	124.2 Å²	124.2	75%	0.749	76%	0.759	S	S	*	*			trans	64.7	118.4	143.8	-63.7	170.1	0	0	0	123.3
696	T	24.4	Very low	30.4	Very low	110 Å²	110	124.6 Å²	124.6	68%	0.675	76%	0.758	S	S	*	*				81.5	117.6	129.4	54.6	0	0	0	0	123.7
697	T	26.4	Very low	30.5	Very low	119 Å²	119	126.4 Å²	126.4	73%	0.73	76%	0.758	S	S	*	*			trans	60.8	108.3	134.4	60	0	0	0	0	121.8
698	Q	30.4	Very low	30.2	Very low	163 Å²	163	126.5 Å²	126.5	76%	0.762	75%	0.753	S	S	*	*			trans	66	145.9	151.9	-62.3	-68	-7	0	0	116
699	P	33.8	Very low	30.1	Very low	110 Å²	110	128 Å²	128	71%	0.714	75%	0.751	S	S	*	*			cis	-130.7	161.2	28.4	41.1	-25.9	0	0	0	116.7
700	L	39.6	Very low	29.8	Very low	153 Å²	153	131 Å²	131	80%	0.801	76%	0.755	S	S	*	*			trans	-71.6	135.3	147.7	-81.7	76.7	0	0	0	108.4
701	P	27.7	Very low	29.9	Very low	106 Å²	106	126.4 Å²	126.4	69%	0.688	74%	0.742	S	S	*	*				-148.5	171.7	102.9	39.3	-24.3	0	0	0	115.7
702	S	26.7	Very low	30.3	Very low	104 Å²	104	124.5 Å²	124.5	73%	0.727	74%	0.744	S	S	*	*			trans	68.6	99.3	156.2	-56.7	0	0	0	0	119.4	P704	S702-P704 WeakPolarHBondContact O-CD 3.15Å
703	P	33.8	Very low	30.2	Very low	133 Å²	133	121.5 Å²	121.5	86%	0.864	74%	0.738	S	S	*	*			trans	-92.4	128	161	34.2	-29	0	0	0	112.4
704	P	29.7	Very low	29.1	Very low	107 Å²	107	123.3 Å²	123.3	70%	0.695	74%	0.742	S	S	*	*			trans	-128.9	143	165	36.6	-23.3	0	0	0	114.4	S702	S702-P704 WeakPolarHBondContact O-CD 3.15Å
705	L	32.2	Very low	29.4	Very low	158 Å²	158	122.2 Å²	122.2	83%	0.827	74%	0.736	S	S	*	*			trans	69.8	134.8	168.2	-56.1	169.8	0	0	0	117.3
706	P	31.6	Very low	29.5	Very low	121 Å²	121	124.7 Å²	124.7	79%	0.786	74%	0.744	S	S	*	*				-109	141.4	110.9	-17	33	0	0	0	114.8
707	P	30.8	Very low	29.6	Very low	106 Å²	106	124.1 Å²	124.1	69%	0.688	75%	0.75	S	S	*	*			trans	-69.1	147.1	153.9	30.6	-31.2	0	0	0	110.1
708	V	25.2	Very low	29.5	Very low	130 Å²	130	123.2 Å²	123.2	79%	0.788	76%	0.755	S	S	*	*				76.4	135.8	59.9	175.1	0	0	0	0	113.4
709	C	25.4	Very low	29.5	Very low	106 Å²	106	125.5 Å²	125.5	72%	0.716	76%	0.763	S	S	*	*			trans	73.6	150.3	175.7	-84.6	0	0	0	0	117.5
710	D	24.8	Very low	29.2	Very low	153 Å²	153	127.1 Å²	127.1	82%	0.818	77%	0.77	S	S	*	*			cis	-125.9	152.5	6.6	-92.1	-49.3	0	0	0	114.6
711	S	29.7	Very low	28.5	Very low	78 Å²	78	125.6 Å²	125.6	55%	0.545	77%	0.768	S	S	.	*			trans	-113.3	146.6	160.4	57.2	0	0	0	0	109.7	T713	S711-T713 PolarHBondContact O-N 2.89Å
712	P	36	Very low	28.9	Very low	133 Å²	133	126.5 Å²	126.5	86%	0.864	77%	0.774	S	S	*	*			trans	-73.8	108.4	155.8	29.4	-26.8	0	0	0	109
713	T	26.7	Very low	28.8	Very low	112 Å²	112	128.1 Å²	128.1	69%	0.687	78%	0.778	S	S	*	*			trans	-70.1	172.8	165	50.7	0	0	0	0	110	S711	S711-T713 PolarHBondContact O-N 2.89Å
714	D	28.8	Very low	28.5	Very low	132 Å²	132	128.8 Å²	128.8	71%	0.706	77%	0.774	S	S	*	*			cis	-159.7	155.3	19.8	-152.1	-11.7	0	0	0	114.2
715	S	27.9	Very low	28.4	Very low	90 Å²	90	130.7 Å²	130.7	63%	0.629	77%	0.773	S	S	*	*			trans	65.2	159.8	148.5	80.4	0	0	0	0	119.1
716	Q	27	Very low	28.1	Very low	194 Å²	194	130.8 Å²	130.8	91%	0.907	77%	0.77	S	S	*	*			cis	-147.1	164.8	5.4	-148.7	159.9	74.1	0	0	110.8
717	A	27.7	Very low	27.8	Very low	98 Å²	98	129.7 Å²	129.7	81%	0.81	77%	0.77	S	S	*	*			trans	-105.5	159	-166.7	0	0	0	0	0	115.3
718	A	25	Very low	27.5	Very low	101 Å²	101	130 Å²	130	84%	0.835	78%	0.775	S	S	*	*			trans	-168.5	137.3	141.2	0	0	0	0	0	113.1
719	F	30.2	Very low	28.4	Very low	211 Å²	211	128.5 Å²	128.5	93%	0.925	77%	0.768	S	S	*	*			trans	-94.3	136.2	157.8	-88.6	-102.2	0	0	0	109.3
720	V	26.3	Very low	28.5	Very low	144 Å²	144	131.4 Å²	131.4	87%	0.873	77%	0.771	S	S	*	*			trans	-150.1	154.2	149.5	168.4	0	0	0	0	109.4
721	T	26.5	Very low	28.6	Very low	121 Å²	121	129.9 Å²	129.9	74%	0.742	77%	0.768	S	S	*	*			trans	-65.8	162.6	-176.8	31.8	0	0	0	0	116.6
722	P	34.2	Very low	29.4	Very low	125 Å²	125	131.8 Å²	131.8	81%	0.812	78%	0.778	S	S	*	*			trans	-80.9	153.6	-177.1	33.7	-37.1	0	0	0	114.2
723	V	25	Very low	29	Very low	137 Å²	137	131.3 Å²	131.3	83%	0.83	78%	0.778	S	S	*	*			trans	-135.2	142.5	168.8	-178.8	0	0	0	0	108.9
724	L	27.1	Very low	29.6	Very low	147 Å²	147	131.8 Å²	131.8	77%	0.77	78%	0.783	S	S	*	*			trans	-64.9	150.5	177.6	-67.8	74.4	0	0	0	111.1
725	H	28.3	Very low	29.9	Very low	147 Å²	147	133.6 Å²	133.6	68%	0.681	79%	0.792	S	S	*	*				-176.8	129.5	106.7	-108.2	-105.6	0	0	0	114.6
726	Q	25.9	Very low	30.3	Very low	161 Å²	161	134.6 Å²	134.6	75%	0.752	80%	0.796	S	S	*	*			trans	47.2	114.7	139	-70.8	173.7	-26.3	0	0	122.5
727	A	25.2	Very low	30.9	Very low	97 Å²	97	131 Å²	131	80%	0.802	79%	0.789	S	S	*	*				77.5	120	118.8	0	0	0	0	0	121.7
728	S	25	Very low	31.6	Very low	112 Å²	112	132.2 Å²	132.2	78%	0.783	79%	0.789	S	S	*	*			trans	-46.5	165.9	145	-124.1	0	0	0	0	112.9
729	P	43.2	Very low	31.8	Very low	100 Å²	100	132.9 Å²	132.9	65%	0.649	79%	0.788	S	S	*	*			cis	-147	-166.4	32	33.1	-7.3	0	0	0	116.8
730	Q	27.8	Very low	32.2	Very low	167 Å²	167	128.4 Å²	128.4	78%	0.78	78%	0.78	S	S	*	*			trans	82.7	140.6	163.4	-54.3	175.4	76.3	0	0	116.1
731	T	28.3	Very low	32.9	Very low	121 Å²	121	127.4 Å²	127.4	74%	0.742	78%	0.777	S	S	*	*			cis	-155.5	159.2	-13	11.1	0	0	0	0	109
732	P	44.8	Very low	32.9	Very low	118 Å²	118	130 Å²	130	77%	0.766	79%	0.785	S	S	*	*			trans	-86.4	149.6	-171.8	34.4	-35.1	0	0	0	114.5
733	S	29.4	Very low	33	Very low	122 Å²	122	133.2 Å²	133.2	85%	0.853	79%	0.789	S	S	*	*			trans	-159.5	158.7	163.9	-82.6	0	0	0	0	110.3
734	P	37.3	Very low	33.2	Very low	123 Å²	123	133.1 Å²	133.1	80%	0.799	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-103.3	163.8	-135.4	37	-36.9	0	0	0	117.4
735	L	36.1	Very low	33.4	Very low	169 Å²	169	134.6 Å²	134.6	89%	0.885	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-69.7	141.3	171.4	-74.8	163.4	0	0	0	113
736	P	36.7	Very low	33.8	Very low	112 Å²	112	132.8 Å²	132.8	73%	0.727	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-87.6	156.6	156.6	35.2	-31.4	0	0	0	111.9
737	P	39.3	Very low	34.9	Very low	117 Å²	117	131.6 Å²	131.6	76%	0.76	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-86.6	161.8	-177	35.3	-36.6	0	0	0	114.1
738	P	42.1	Very low	35.3	Very low	124 Å²	124	130.9 Å²	130.9	81%	0.805	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-86.6	149.8	178.8	34.1	-34.8	0	0	0	114.2
739	S	29.9	Very low	35.3	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	81%	0.807	S	S	*	*			trans	-162.6	163.9	168.5	-66.6	0	0	0	0	108.5
740	P	38.1	Very low	34.9	Very low	117 Å²	117	130.2 Å²	130.2	76%	0.76	82%	0.815	S	S	*	*				-114.4	174.2	-82.6	27.5	-8.5	0	0	0	112.4
741	P	41.6	Very low	36.2	Very low	124 Å²	124	127.6 Å²	127.6	81%	0.805	81%	0.812	S	S	*	*			trans	-80.4	157.7	-178.5	33.3	-36.6	0	0	0	114
742	L	26.1	Very low	36.5	Very low	176 Å²	176	129.6 Å²	129.6	92%	0.921	81%	0.813	S	S	*	*			trans	-141.8	144.6	165.1	-80.9	176.4	0	0	0	110.8
743	E	35.9	Very low	37.1	Very low	192 Å²	192	129.1 Å²	129.1	90%	0.897	81%	0.81	S	S	*	*			trans	-100.2	153.8	177	-59.1	177.2	131.2	0	0	111.6
744	V	29.7	Very low	37	Very low	135 Å²	135	127.6 Å²	127.6	82%	0.818	80%	0.804	S	S	*	*			trans	-156.4	136.4	173.5	-180	0	0	0	0	107.1
745	E	30.2	Very low	36.8	Very low	178 Å²	178	126.9 Å²	126.9	83%	0.832	80%	0.803	S	S	*	*			cis	-161.7	-179.2	-29.6	-127.5	-168.2	147.2	0	0	107.2
746	S	36.8	Very low	37.6	Very low	109 Å²	109	124.2 Å²	124.2	76%	0.762	80%	0.795	S	S	*	*			trans	-140.5	134.6	168	-70.5	0	0	0	0	112
747	P	49.9	Very low	37.3	Very low	136 Å²	136	123.6 Å²	123.6	88%	0.883	79%	0.794	S	S	*	*			trans	-86.2	150	177.1	34.8	-34.2	0	0	0	111.9
748	G	32.9	Very low	36.9	Very low	82 Å²	82	126.3 Å²	126.3	85%	0.845	80%	0.796	S	S	*	*			cis	162.5	142.8	-7.3	0	0	0	0	0	111.9
749	G	25.6	Very low	36	Very low	83 Å²	83	129.9 Å²	129.9	86%	0.856	80%	0.799	S	S	*	*			trans	172.9	133.7	177.1	0	0	0	0	0	113.8
750	S	35.2	Very low	36.6	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	80%	0.799	S	S	*	*			trans	-142.7	-173.4	-167.5	64	0	0	0	0	110.4
751	P	54.3	Low	36.1	Very low	111 Å²	111	133.7 Å²	133.7	72%	0.721	81%	0.805	S	S	*	*			cis	-140.8	163.2	6.9	42.1	-22.7	0	0	0	119.5
752	E	33.7	Very low	37	Very low	163 Å²	163	133 Å²	133	76%	0.762	80%	0.8	S	S	*	*			trans	11.3	173.1	130.9	-100.2	-133.4	112.5	0	0	123.8	A754	E752-A754 PolarHBondContact OE1-N 3.37Å
753	P	57.8	Low	36.9	Very low	108 Å²	108	129.9 Å²	129.9	70%	0.701	79%	0.792	S	S	*	*			cis	-139	177.6	10.2	37.3	-16.7	0	0	0	119.6
754	A	28.1	Very low	36.5	Very low	90 Å²	90	128.6 Å²	128.6	74%	0.744	79%	0.79	S	S	*	*			trans	129.1	145	138.5	0	0	0	0	0	119	E752	E752-A754 PolarHBondContact OE1-N 3.37Å
755	S	32.6	Very low	37.1	Very low	109 Å²	109	127.9 Å²	127.9	76%	0.762	79%	0.788	S	S	*	*			trans	-132.9	-163.3	-164	-41.4	0	0	0	0	111.8
756	P	52.3	Low	37.1	Very low	113 Å²	113	127 Å²	127	73%	0.734	79%	0.788	S	S	*	*			cis	-145.3	177.9	-2.3	43.5	-23.9	0	0	0	119.4
757	S	30.7	Very low	37.8	Very low	99 Å²	99	127.3 Å²	127.3	69%	0.692	79%	0.788	S	S	*	*			trans	105.3	130.7	133.3	77.9	0	0	0	0	125.3
758	H	30.4	Very low	36.4	Very low	174 Å²	174	127 Å²	127	81%	0.806	79%	0.788	S	S	*	*			trans	62.7	114.5	148.4	-62.9	-52	0	0	0	126.5
759	K	24.4	Very low	36.3	Very low	198 Å²	198	132 Å²	132	86%	0.861	79%	0.786	S	S	*	*				40	156.4	124	-81.9	-168.8	178	-170	0	122.8
760	P	41.6	Very low	36.6	Very low	125 Å²	125	134.4 Å²	134.4	81%	0.812	78%	0.779	S	S	*	*			cis	-139	-139.9	-7.6	42.4	-19.7	0	0	0	115.4
761	E	28.1	Very low	36.2	Very low	188 Å²	188	135.9 Å²	135.9	88%	0.879	78%	0.784	S	S	*	*			trans	-72.9	177.3	-165.8	-88.1	-176.9	112.6	0	0	120.4
762	P	60.3	Low	35	Very low	108 Å²	108	138.4 Å²	138.4	70%	0.701	79%	0.786	S	S	*	*			trans	-114	169.9	-159.8	42.8	-35.5	0	0	0	117.7
763	C	24.1	Very low	35.8	Very low	112 Å²	112	136.3 Å²	136.3	76%	0.757	79%	0.787	S	S	*	*			trans	169.1	122.6	135.7	-93	0	0	0	0	115.7
764	L	27.4	Very low	34.6	Very low	164 Å²	164	135.1 Å²	135.1	86%	0.859	79%	0.786	S	S	*	*			trans	53	176.5	146.8	-59.5	177.9	0	0	0	120.2
765	P	43.1	Very low	34.8	Very low	120 Å²	120	135.2 Å²	135.2	78%	0.779	79%	0.787	S	S	*	*			cis	-122.5	-168.9	-49.9	35.8	-19.1	0	0	0	114.5
766	L	30.3	Very low	34.9	Very low	160 Å²	160	136.7 Å²	136.7	84%	0.838	79%	0.786	S	S	*	*			trans	-42.1	173.1	174.3	-61.1	169.1	0	0	0	118.3
767	P	50.2	Low	34.1	Very low	116 Å²	116	137.5 Å²	137.5	75%	0.753	78%	0.784	S	S	*	*			cis	-136.1	175.8	-41.2	39	-23	0	0	0	113.3
768	C	21.7	Very low	34.3	Very low	130 Å²	130	136.8 Å²	136.8	88%	0.878	78%	0.779	S	S	*	*			trans	-152.8	173.5	174.6	-132.6	0	0	0	0	117.4
769	K	31.1	Very low	34.4	Very low	186 Å²	186	134.4 Å²	134.4	81%	0.809	78%	0.777	S	S	*	*			trans	-148.5	-173.4	-178.1	-50.1	-176.2	-179.2	-178.8	0	109.4
770	N	31.4	Very low	34.7	Very low	134 Å²	134	132.1 Å²	132.1	72%	0.717	77%	0.773	S	S	*	*			cis	-160.9	132.5	3.3	-158.2	96.8	0	0	0	110.2
771	T	26.5	Very low	34.1	Very low	146 Å²	146	133.3 Å²	133.3	90%	0.896	77%	0.772	S	S	*	*			trans	-153.9	159.1	170.2	-4.2	0	0	0	0	115.1
772	Q	29.9	Very low	34	Very low	163 Å²	163	130.1 Å²	130.1	76%	0.762	77%	0.765	S	S	*	*			trans	-135.6	176.5	-173.2	-147.5	-162.8	48.8	0	0	109.2
773	P	49.5	Very low	32.5	Very low	120 Å²	120	132 Å²	132	78%	0.779	77%	0.77	S	S	*	*				-154.8	152.5	78.9	39	-18	0	0	0	119.8
774	A	32.8	Very low	32.8	Very low	83 Å²	83	134 Å²	134	69%	0.686	77%	0.773	S	S	*	*			trans	27.9	139	141.4	0	0	0	0	0	125.8
775	A	31.4	Very low	32.9	Very low	92 Å²	92	134 Å²	134	76%	0.76	77%	0.774	S	S	*	*				-174.8	127.9	107.4	0	0	0	0	0	115
776	N	36	Very low	32	Very low	140 Å²	140	132.1 Å²	132.1	75%	0.749	78%	0.776	S	S	*	*			trans	25	153.1	143.2	-63.7	56.1	0	0	0	122.2
777	D	34.7	Very low	32	Very low	129 Å²	129	134 Å²	134	69%	0.69	78%	0.781	S	S	*	*			cis	-171.1	178.8	5.8	-123.2	-43.4	0	0	0	108.6
778	S	34.7	Very low	30.8	Very low	85 Å²	85	133 Å²	133	59%	0.594	78%	0.782	S	S	*	*			cis	-166.8	-178	-11.8	-142.5	0	0	0	0	111.7
779	T	32.4	Very low	31	Very low	124 Å²	124	132.7 Å²	132.7	76%	0.761	77%	0.772	S	S	*	*			trans	67.5	144	162.3	64.4	0	0	0	0	119.9
780	L	30.9	Very low	30.7	Very low	150 Å²	150	134.1 Å²	134.1	79%	0.785	77%	0.772	S	S	*	*			cis	-155.7	161.5	-5.3	-113.9	168.6	0	0	0	112.4
781	L	28.9	Very low	30.5	Very low	149 Å²	149	135.7 Å²	135.7	78%	0.78	78%	0.779	S	S	*	*			trans	-34.2	152.1	-179.5	-57.1	162.4	0	0	0	118.5
782	T	26.6	Very low	31.4	Very low	121 Å²	121	134 Å²	134	74%	0.742	77%	0.771	S	S	*	*				-170.6	151.1	65.3	46.2	0	0	0	0	116.4
783	N	29.2	Very low	32.6	Very low	148 Å²	148	131.7 Å²	131.7	79%	0.791	77%	0.77	S	S	*	*			trans	53.1	110.2	143.7	-62.2	24.5	0	0	0	124.8
784	D	29.3	Very low	32.6	Very low	153 Å²	153	131.8 Å²	131.8	82%	0.818	77%	0.771	S	S	*	*				63.9	153.4	108.2	-101.2	-164.3	0	0	0	126.9
785	D	29.3	Very low	32.3	Very low	165 Å²	165	131.5 Å²	131.5	88%	0.882	78%	0.776	S	S	*	*			trans	72.6	138.5	161.4	-87.4	-36.5	0	0	0	122.3
786	G	25.5	Very low	32.1	Very low	80 Å²	80	131.6 Å²	131.6	83%	0.825	78%	0.776	S	S	*	*			trans	138.3	67.6	157.1	0	0	0	0	0	119.8
787	E	29.1	Very low	31.6	Very low	200 Å²	200	133 Å²	133	94%	0.935	78%	0.783	S	S	*	*			trans	-102.4	116	169.8	-178.3	-174.4	169.9	0	0	112.1
788	A	26.5	Very low	31.3	Very low	95 Å²	95	135.2 Å²	135.2	79%	0.785	79%	0.794	S	S	*	*			trans	-176.1	141	155.1	0	0	0	0	0	116.6
789	D	25.3	Very low	31	Very low	123 Å²	123	136 Å²	136	66%	0.658	81%	0.806	S	S	*	*			trans	64.3	121.9	141.6	-99.7	-10.9	0	0	0	125.8
790	R	25	Very low	30.8	Very low	217 Å²	217	134.5 Å²	134.5	82%	0.819	81%	0.806	S	S	*	*			trans	85.2	139.3	135.7	-68.9	172.7	-148.4	-148.6	8.5	124.2
791	L	27.3	Very low	30.6	Very low	166 Å²	166	139 Å²	139	87%	0.869	81%	0.813	S	S	*	*			trans	-91.9	-179.1	171.5	-53.1	125.3	0	0	0	110.6
792	P	45.8	Very low	30.5	Very low	110 Å²	110	139.2 Å²	139.2	71%	0.714	81%	0.809	S	S	*	*				-131.3	-143.8	-62.4	38.8	-19.8	0	0	0	109.7
793	P	54.2	Low	30.6	Very low	116 Å²	116	141.1 Å²	141.1	75%	0.753	81%	0.81	S	S	*	*				-99.1	-148.9	-77.8	42.9	-25.6	0	0	0	110
794	P	49.3	Very low	30.4	Very low	122 Å²	122	140.6 Å²	140.6	79%	0.792	81%	0.812	S	S	*	*			cis	-133.4	171.9	-14.5	41.5	-25.1	0	0	0	116.6
795	G	27.8	Very low	30.1	Very low	76 Å²	76	138.4 Å²	138.4	78%	0.784	82%	0.816	S	S	*	*			trans	112.7	99	131.6	0	0	0	0	0	120.3
796	A	26.1	Very low	30.6	Very low	94 Å²	94	136.1 Å²	136.1	78%	0.777	81%	0.812	S	S	*	*				178.4	137.7	125.5	0	0	0	0	0	113.7
797	L	25.3	Very low	30.5	Very low	170 Å²	170	140.4 Å²	140.4	89%	0.89	81%	0.813	S	S	*	*			trans	69.6	148.1	157.4	-71.9	169.3	0	0	0	122.5
798	L	29.1	Very low	30.3	Very low	175 Å²	175	137.4 Å²	137.4	92%	0.916	80%	0.804	S	S	*	*			trans	71.1	79	164.1	-69	168.2	0	0	0	120.4
799	A	28.1	Very low	30.4	Very low	103 Å²	103	140.1 Å²	140.1	85%	0.851	81%	0.805	S	S	*	*			trans	-161.2	162.8	146.3	0	0	0	0	0	108.8
800	A	27.5	Very low	30.5	Very low	92 Å²	92	138.1 Å²	138.1	76%	0.76	80%	0.8	S	S	*	*			cis	177.7	153.4	-31.4	0	0	0	0	0	106.6
801	R	27	Very low	30.7	Very low	245 Å²	245	133.9 Å²	133.9	93%	0.925	80%	0.799	S	S	*	*			trans	-162.6	165.6	150.1	-122.2	173.6	177.1	162.4	-0.4	117.3
802	Q	27.9	Very low	30.7	Very low	152 Å²	152	134 Å²	134	71%	0.71	80%	0.795	S	S	*	*			trans	-109.8	151.7	-166.3	-62.3	152	-73	0	0	112.2
803	Q	27.2	Very low	30.1	Very low	161 Å²	161	134.2 Å²	134.2	75%	0.752	79%	0.794	S	S	*	*			trans	51.7	145.3	132.7	-62.9	175	-47.1	0	0	123.6
804	T	25.3	Very low	28.6	Very low	137 Å²	137	136.7 Å²	136.7	84%	0.84	80%	0.801	S	S	*	*			trans	104.9	152.3	147.9	73.5	0	0	0	0	118.8
805	A	24	Very low	27.5	Very low	108 Å²	108	136.1 Å²	136.1	89%	0.893	80%	0.795	S	S	*	*			trans	75.1	143.9	172.2	0	0	0	0	0	119.3
806	S	39.2	Very low	27.8	Very low	116 Å²	116	139.7 Å²	139.7	81%	0.811	80%	0.796	S	S	*	*			trans	-146.5	125.6	175.5	53.6	0	0	0	0	107.9
807	M	22.8	Very low	27.7	Very low	171 Å²	171	143 Å²	143	84%	0.842	80%	0.795	S	S	*	*			trans	-163.1	123	176.4	-122.6	167.9	170.9	0	0	112.4
808	D	26.4	Very low	28	Very low	137 Å²	137	138.1 Å²	138.1	73%	0.733	79%	0.786	S	S	*	*				42.6	108.4	127.7	-45.3	-15.9	0	0	0	121.7
809	D	27.4	Very low	28	Very low	151 Å²	151	138.4 Å²	138.4	81%	0.807	78%	0.783	S	S	*	*				73.2	148.7	110.2	-156.4	43.1	0	0	0	125.5
810	S	27.7	Very low	28.5	Very low	81 Å²	81	138.4 Å²	138.4	57%	0.566	77%	0.774	S	S	*	*			trans	65.4	126.5	152.7	-81.6	0	0	0	0	125.8
811	T	28.3	Very low	29.6	Very low	128 Å²	128	139.6 Å²	139.6	79%	0.785	77%	0.774	S	S	*	*			trans	82.9	131.8	138.3	47.3	0	0	0	0	125.8
812	E	27.8	Very low	30.2	Very low	168 Å²	168	133.7 Å²	133.7	79%	0.785	77%	0.767	S	S	*	*			trans	68.5	107.2	142.4	-65	-158.2	141.6	0	0	126.1
813	T	33.1	Very low	30.1	Very low	115 Å²	115	131 Å²	131	71%	0.706	77%	0.772	S	S	*	*			trans	62.2	134.7	131.7	63.8	0	0	0	0	124
814	L	23.9	Very low	30	Very low	169 Å²	169	128 Å²	128	89%	0.885	77%	0.769	S	S	*	*			trans	69.2	158	169.5	-57	171.6	0	0	0	114.1
815	T	26.2	Very low	30.1	Very low	110 Å²	110	131 Å²	131	68%	0.675	77%	0.77	S	S	*	*			cis	-128.3	177.7	13.9	52	0	0	0	0	114.4
816	D	33.3	Very low	31.4	Very low	151 Å²	151	130.6 Å²	130.6	81%	0.807	76%	0.758	S	S	*	*			trans	-67.4	151.7	151.7	-174.8	30.9	0	0	0	110.5
817	E	25.1	Very low	30.9	Very low	163 Å²	163	132.1 Å²	132.1	76%	0.762	76%	0.757	S	S	*	*			trans	-154	139.8	174.4	-86.7	-57.6	139.6	0	0	110.5
818	G	31.8	Very low	31	Very low	68 Å²	68	130.8 Å²	130.8	70%	0.701	75%	0.752	S	S	*	*			trans	-169.6	153	-178.1	0	0	0	0	0	114.8
819	E	27.9	Very low	31.1	Very low	180 Å²	180	130.6 Å²	130.6	84%	0.841	75%	0.747	S	S	*	*			trans	-154.9	164.5	-169	-90.5	-137.7	121.7	0	0	111.9
820	P	37.8	Very low	31.2	Very low	104 Å²	104	131.5 Å²	131.5	68%	0.675	75%	0.746	S	S	*	*			cis	-134	-160.3	-35.1	40.8	-21.9	0	0	0	110.9
821	P	51.3	Low	31.2	Very low	117 Å²	117	132.3 Å²	132.3	76%	0.76	75%	0.751	S	S	*	*			trans	-107.6	-171.4	-155.6	43.9	-38.7	0	0	0	115.9
822	P	40.8	Very low	31.1	Very low	120 Å²	120	137 Å²	137	78%	0.779	76%	0.755	S	S	*	*				-153.7	171	96.8	40.5	-22.8	0	0	0	118.4
823	A	24.6	Very low	31	Very low	97 Å²	97	133.8 Å²	133.8	80%	0.802	75%	0.751	S	S	*	*			trans	70.9	145.8	158.4	0	0	0	0	0	119.8
824	S	25	Very low	30.9	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	75%	0.746	S	S	*	*			cis	-171.1	137.6	-13.4	51.3	0	0	0	0	113.4
825	F	26.7	Very low	31.1	Very low	200 Å²	200	131.5 Å²	131.5	88%	0.877	74%	0.742	S	S	*	*			trans	44.2	161	140.9	-74.6	-59.5	0	0	0	123.8
826	P	53.2	Low	31.3	Very low	99 Å²	99	133.6 Å²	133.6	64%	0.643	75%	0.749	S	S	*	*			cis	-140.8	-173	-20.6	38.9	-19.2	0	0	0	116.5
827	L	27.2	Very low	31	Very low	148 Å²	148	134.8 Å²	134.8	78%	0.775	75%	0.75	S	S	*	*			trans	78	146.8	162.1	-61.1	171.1	0	0	0	117.9
828	L	25.4	Very low	31	Very low	143 Å²	143	131.7 Å²	131.7	75%	0.749	75%	0.746	S	S	*	*			cis	-144.9	138.3	18.1	-120.3	132.2	0	0	0	114.4
829	H	28.8	Very low	31.7	Very low	133 Å²	133	133.3 Å²	133.3	62%	0.616	74%	0.744	S	S	*	*			trans	43.4	120.1	150.1	-87	-112.9	0	0	0	126
830	Q	29.4	Very low	31.7	Very low	170 Å²	170	131.6 Å²	131.6	79%	0.794	74%	0.736	S	S	*	*				58.9	146	126.8	-64.8	178.8	-23.2	0	0	120.7
831	S	26.9	Very low	31.4	Very low	97 Å²	97	134.2 Å²	134.2	68%	0.678	74%	0.737	S	S	*	*			cis	-166	159.1	34.3	64.9	0	0	0	0	115.6
832	R	26.1	Very low	30.5	Very low	228 Å²	228	135.6 Å²	135.6	86%	0.86	74%	0.738	S	S	*	*			trans	67.5	132.4	161.1	-69	175.8	172.9	166.7	-2.8	116.5
833	S	27.7	Very low	29.9	Very low	99 Å²	99	140.3 Å²	140.3	69%	0.692	75%	0.746	S	S	*	*			cis	80.6	142.3	47.9	93.3	0	0	0	0	113.2
834	S	30	Very low	30.3	Very low	86 Å²	86	141.9 Å²	141.9	60%	0.601	74%	0.741	S	S	*	*			cis	-159.3	175	14.9	-36.6	0	0	0	0	113.9
835	D	27.6	Very low	30.6	Very low	151 Å²	151	147.3 Å²	147.3	81%	0.807	75%	0.746	S	S	*	*			trans	72.7	129.8	141.5	-50.4	-27.1	0	0	0	125.9
836	D	30.4	Very low	30.6	Very low	153 Å²	153	142.7 Å²	142.7	82%	0.818	74%	0.739	S	S	*	*			trans	-5.3	163.3	143.6	-95.3	-60.5	0	0	0	121.9
837	E	27.1	Very low	29.5	Very low	177 Å²	177	149.6 Å²	149.6	83%	0.827	75%	0.753	S	S	*	*			cis	-163	-162.2	48.5	-144.9	-173	120	0	0	114.6
838	S	25.3	Very low	29.4	Very low	98 Å²	98	149.7 Å²	149.7	69%	0.685	76%	0.759	S	S	*	*			trans	-124.3	-145.9	-174.9	67	0	0	0	0	112
839	P	46	Very low	29.6	Very low	101 Å²	101	150.5 Å²	150.5	66%	0.656	76%	0.759	S	S	*	*			cis	-131.9	-152	-3.1	43.6	-21.7	0	0	0	112.4
840	Q	29.3	Very low	30.4	Very low	145 Å²	145	149.5 Å²	149.5	68%	0.678	77%	0.765	S	S	*	*			cis	-161.9	141.3	-7.2	-139.7	177.7	139.9	0	0	113.3
841	K	31.3	Very low	30.6	Very low	158 Å²	158	145 Å²	145	69%	0.687	76%	0.756	S	S	*	*			trans	49.7	124.7	142.5	-75.7	174.2	-167.3	157.5	0	126.4
842	D	32.8	Very low	30.8	Very low	147 Å²	147	150.6 Å²	150.6	79%	0.786	77%	0.768	S	S	*	*				36.3	138.3	111.3	-49.8	-41.1	0	0	0	124.6
843	K	27.7	Very low	30.9	Very low	218 Å²	218	143.2 Å²	143.2	95%	0.948	76%	0.764	S	S	*	*				-161.9	171.8	129.1	-118.6	173	-176.5	176.8	0	115.3
844	D	32	Very low	30.9	Very low	131 Å²	131	151 Å²	151	70%	0.701	78%	0.778	S	S	*	*			trans	-141.2	161	-153.3	-173.2	28	0	0	0	115.5
845	R	31.2	Very low	30.9	Very low	211 Å²	211	150.3 Å²	150.3	80%	0.796	78%	0.784	S	S	*	*			trans	69.1	118.8	153.1	-93.4	167.9	-161.8	-124.6	-3.7	126.2
846	S	28	Very low	30.9	Very low	104 Å²	104	154.9 Å²	154.9	73%	0.727	79%	0.791	S	S	*	*				73	107.8	122.8	71.2	0	0	0	0	126
847	R	28.6	Very low	30.7	Very low	244 Å²	244	154 Å²	154	92%	0.921	79%	0.79	S	S	*	*				58.6	109.6	112.2	-166.1	-168.8	-165.1	-172.6	6.9	123.1
848	T	25.9	Very low	31.6	Very low	149 Å²	149	150.4 Å²	150.4	91%	0.914	78%	0.783	S	S	*	*			trans	-154.2	161.8	145.5	-20.9	0	0	0	0	113.1
849	E	29.7	Very low	31.7	Very low	160 Å²	160	150.7 Å²	150.7	75%	0.748	78%	0.781	S	S	*	*			trans	-105.3	-173.7	171.7	-127.7	-153.6	-101.4	0	0	110.2	A851	E849-A851 PolarHBondContact OE2-N 3.17Å; E849-A851 VanDerWaalsContact OE2-N 3.07Å
850	P	45.9	Very low	30.7	Very low	113 Å²	113	152.9 Å²	152.9	73%	0.734	79%	0.787	S	S	*	*			cis	-150.8	158.3	31.6	43.3	-20.6	0	0	0	123.1
851	A	33.3	Very low	30.5	Very low	75 Å²	75	151.4 Å²	151.4	62%	0.62	79%	0.792	S	S	*	*			trans	67	146.4	134.6	0	0	0	0	0	127.9	E849	E849-A851 PolarHBondContact OE2-N 3.17Å; E849-A851 VanDerWaalsContact OE2-N 3.07Å
852	K	30.6	Very low	30.1	Very low	214 Å²	214	148.7 Å²	148.7	93%	0.93	80%	0.799	S	S	*	*			trans	95.1	124.9	158	-62.2	-179.6	-179.2	172.7	0	118.8
853	G	28.1	Very low	29.7	Very low	74 Å²	74	146.5 Å²	146.5	76%	0.763	80%	0.802	S	S	*	*			cis	165.1	169.4	-11.6	0	0	0	0	0	116.8
854	R	29.3	Very low	29.6	Very low	261 Å²	261	144.2 Å²	144.2	99%	0.985	79%	0.794	S	S	*	*			trans	69.6	135.1	178.9	-78.6	-174.7	167.8	-157.7	-2.4	117.8
855	G	28.5	Very low	29.4	Very low	72 Å²	72	144 Å²	144	74%	0.742	80%	0.798	S	S	*	*			cis	154.7	133.3	-23	0	0	0	0	0	118.4
856	R	27.8	Very low	29.1	Very low	248 Å²	248	141 Å²	141	94%	0.936	80%	0.797	S	S	*	*			trans	92.3	148.7	159.4	-62.2	-171.3	171.9	-168.6	-4.3	119.8
857	T	26.4	Very low	29	Very low	133 Å²	133	141.3 Å²	141.3	82%	0.816	80%	0.8	S	S	*	*			trans	-143.7	-162.1	-167.2	54	0	0	0	0	106.4
858	P	47.1	Very low	28.8	Very low	102 Å²	102	135.1 Å²	135.1	66%	0.662	79%	0.789	S	S	*	*			cis	-142.2	-160.6	-2	40.8	-17.9	0	0	0	116
859	T	26.7	Very low	28.7	Very low	105 Å²	105	134.4 Å²	134.4	64%	0.644	78%	0.779	S	S	*	*			trans	77.2	112.9	149.3	45.2	0	0	0	0	123
860	D	25.1	Very low	28.5	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	78%	0.782	S	S	*	*				82.7	146.6	121.8	-57.5	-8.5	0	0	0	125.2
861	S	24	Very low	27.5	Very low	114 Å²	114	137 Å²	137	80%	0.797	78%	0.781	S	S	*	*			trans	83.6	107.7	156.9	67.4	0	0	0	0	121.9
862	A	24.4	Very low	27.1	Very low	101 Å²	101	141.6 Å²	141.6	84%	0.835	79%	0.794	S	S	*	*				56.5	154.1	120.1	0	0	0	0	0	124.7
863	A	23.5	Very low	26.7	Very low	101 Å²	101	136.8 Å²	136.8	84%	0.835	78%	0.783	S	S	*	*			trans	85.5	152.3	154.1	0	0	0	0	0	120.9
864	H	26.3	Very low	26.5	Very low	171 Å²	171	138.5 Å²	138.5	79%	0.792	78%	0.783	S	S	*	*			trans	-85	160.6	-179.8	-70.4	-102.7	0	0	0	112.9
865	T	26.4	Very low	26.2	Very low	126 Å²	126	133.8 Å²	133.8	77%	0.773	77%	0.772	S	S	*	*				174.5	147.5	110.9	30.6	0	0	0	0	113.9
866	D	26.4	Very low	26	Very low	148 Å²	148	137.7 Å²	137.7	79%	0.791	78%	0.775	S	S	*	*			trans	14.5	138.4	148.6	-41.2	-28.1	0	0	0	119.9
867	S	24.8	Very low	25.7	Very low	111 Å²	111	129.9 Å²	129.9	78%	0.776	76%	0.759	S	S	*	*				168.6	-175.8	62.2	62.5	0	0	0	0	109.5
868	V	24.5	Very low	25.6	Very low	114 Å²	114	130.5 Å²	130.5	69%	0.691	76%	0.757	S	S	*	*			cis	-159.7	143.7	0.9	86	0	0	0	0	111.1
869	L	24.3	Very low	24.5	Very low	134 Å²	134	133.9 Å²	133.9	70%	0.702	77%	0.769	S	S	*	*			trans	60.4	161.6	158.3	-60.5	169.6	0	0	0	118.7
870	R	24.9	Very low	24.6	Very low	219 Å²	219	134.3 Å²	134.3	83%	0.826	77%	0.773	S	S	*	*			cis	-150.6	166.7	7.3	-131.1	151.7	-168.8	-160.2	4.1	109.9
871	P	25.5	Very low	24.6	Very low	107 Å²	107	135.9 Å²	135.9	70%	0.695	78%	0.781	S	S	*	*			trans	-102	171.2	-165.7	39.7	-33.8	0	0	0	115.1
872	L	24.9	Very low	24.6	Very low	172 Å²	172	137.8 Å²	137.8	90%	0.901	78%	0.781	S	S	*	*			trans	-133.8	156.9	154.3	-101.6	168.3	0	0	0	109.6
873	T	21.6	Very low	24.8	Very low	113 Å²	113	138.3 Å²	138.3	69%	0.693	78%	0.779	S	S	*	*			trans	-128	170	-165.1	47.5	0	0	0	0	112.6
874	S	24.3	Very low	25	Very low	111 Å²	111	138 Å²	138	78%	0.776	77%	0.771	S	S	*	*			trans	73.7	149.5	164	78	0	0	0	0	116.6
875	Q	22.9	Very low	25.4	Very low	161 Å²	161	135.6 Å²	135.6	75%	0.752	77%	0.77	S	S	*	*			cis	-166.2	169.5	-10.6	-112.6	-75.7	13.2	0	0	107.9
876	L	24	Very low	25.7	Very low	154 Å²	154	138.9 Å²	138.9	81%	0.806	77%	0.768	S	S	*	*			trans	66.3	158.1	170	-59.4	157.2	0	0	0	117.4
877	S	22.4	Very low	25.7	Very low	85 Å²	85	139.6 Å²	139.6	59%	0.594	77%	0.773	S	S	*	*			cis	-174.9	160.8	-43	-130.4	0	0	0	0	109.8
878	D	24.5	Very low	26.1	Very low	146 Å²	146	139 Å²	139	78%	0.781	77%	0.769	S	S	*	*			trans	66	97.8	152.3	-48.6	-12.2	0	0	0	119.3
879	L	23.7	Very low	26.3	Very low	173 Å²	173	139 Å²	139	91%	0.906	77%	0.768	S	S	*	*			trans	-95.5	141.3	161.6	-73.2	165.8	0	0	0	110.9
880	P	27.3	Very low	27.5	Very low	114 Å²	114	138 Å²	138	74%	0.74	77%	0.77	S	S	*	*			trans	-97.3	134	153.7	-1	20.9	0	0	0	110.9	L882	P880-L882 PolarHBondContact O-N 3Å
881	L	26.5	Very low	27.5	Very low	179 Å²	179	130 Å²	130	94%	0.937	76%	0.756	S	S	*	*			trans	-70.7	113.9	174.5	-74.7	160.4	0	0	0	110.8	S883	L881-S883 PolarHBondContact O-N 3.3Å
882	L	24.1	Very low	27.4	Very low	153 Å²	153	132.9 Å²	132.9	80%	0.801	76%	0.764	S	S	*	*			trans	-88.3	91.1	176.8	-96.7	162	0	0	0	111.8	P880 S884	P880-L882 PolarHBondContact O-N 3Å; L882-S884 WeakPolarHBondContact CD2-OG 3.4Å
883	S	27.1	Very low	27.4	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	75%	0.748	S	S	*	*			trans	-72.5	126.8	146.9	52.6	0	0	0	0	108.2	L881	L881-S883 PolarHBondContact O-N 3.3Å
884	S	28	Very low	27.4	Very low	94 Å²	94	130.6 Å²	130.6	66%	0.657	76%	0.755	S	S	*	*			trans	-159.5	155.4	177.7	-86.7	0	0	0	0	111.8	L882	L882-S884 WeakPolarHBondContact CD2-OG 3.4Å
885	P	35.3	Very low	27.4	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	76%	0.758	S	S	*	*			trans	-117.1	-179.5	-141.8	40	-29.3	0	0	0	114.8
886	W	31.8	Very low	27.3	Very low	194 Å²	194	127.3 Å²	127.3	74%	0.735	75%	0.75	S	S	*	*			trans	-105.2	123.8	169.8	-65.9	84.2	0	0	0	109.8
887	D	28	Very low	27.1	Very low	164 Å²	164	128.2 Å²	128.2	88%	0.877	75%	0.748	S	S	*	*			trans	179.7	-169.4	136.8	-94.2	-30.1	0	0	0	111.6
888	S	32.8	Very low	27	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	76%	0.759	S	S	*	*			trans	-132.1	171.2	-139.8	-57.3	0	0	0	0	118.2
889	V	28.1	Very low	26.9	Very low	112 Å²	112	136.3 Å²	136.3	68%	0.679	76%	0.762	S	S	*	*			trans	61.9	171.4	163	-96.3	0	0	0	0	119.7	D70	D70-V889 WeakPolarHBondContact O-CG1 3.41Å
890	P	49.8	Very low	27.2	Very low	115 Å²	115	134 Å²	134	75%	0.747	76%	0.757	S	S	*	*			cis	-131.7	-178.1	-29.9	33.2	-14.7	0	0	0	114.3
891	G	25.2	Very low	27	Very low	51 Å²	51	132.3 Å²	132.3	53%	0.526	76%	0.761	S	S	.	*			trans	179	78.2	167.9	0	0	0	0	0	124.4
892	L	23.9	Very low	26.8	Very low	166 Å²	166	127.2 Å²	127.2	87%	0.869	75%	0.752	S	S	*	*			trans	58.2	150.8	140.7	-116.7	72	0	0	0	125.6	K69	K69-L892 PolarHBondContact NZ-O 3.15Å
893	G	23.3	Very low	26.7	Very low	54 Å²	54	131.5 Å²	131.5	56%	0.557	76%	0.759	S	S	*	*			trans	76.2	154.6	150.5	0	0	0	0	0	121.1	K69	K69-G893 PolarHBondContact NZ-O 3.3Å
894	Q	23	Very low	26.4	Very low	183 Å²	183	134.2 Å²	134.2	86%	0.855	76%	0.759	S	S	*	*			cis	-168.7	142	-31.3	-139.1	-175.4	40.9	0	0	112.6
895	S	23	Very low	26.1	Very low	118 Å²	118	134 Å²	134	83%	0.825	76%	0.758	S	S	*	*			trans	67.9	162.2	165.2	81.7	0	0	0	0	119.5
896	S	20.8	Very low	25.5	Very low	85 Å²	85	137 Å²	137	59%	0.594	75%	0.753	S	S	*	*			cis	-171.7	161.4	-36.3	-172	0	0	0	0	112.2
897	F	20.3	Very low	25.1	Very low	174 Å²	174	136.7 Å²	136.7	76%	0.763	75%	0.752	S	S	*	*			trans	87.5	120.3	156.1	-63.6	-60.3	0	0	0	124.6
898	R	20.6	Very low	24.8	Very low	219 Å²	219	136.3 Å²	136.3	83%	0.826	75%	0.749	S	S	*	*				84.9	103.6	129.7	-72.5	176.5	-175.7	-146.9	-0.7	123.2
899	H	21.8	Very low	25	Very low	182 Å²	182	137.1 Å²	137.1	84%	0.843	75%	0.752	S	S	*	*				-13.7	162.2	121.8	-69.6	-40.5	0	0	0	118.5
900	P	31.3	Very low	24.7	Very low	123 Å²	123	135.2 Å²	135.2	80%	0.799	76%	0.755	S	S	*	*			cis	-148.8	175.2	32.5	43.1	-23.4	0	0	0	119.9
901	G	21.4	Very low	23.6	Very low	80 Å²	80	138.9 Å²	138.9	83%	0.825	76%	0.759	S	S	*	*			trans	92.5	132.6	154.9	0	0	0	0	0	116.2
902	G	22.6	Very low	23.5	Very low	72 Å²	72	143.3 Å²	143.3	74%	0.742	77%	0.77	S	S	*	*			cis	107.6	97.6	-8.3	0	0	0	0	0	115.2
903	Y	22.1	Very low	23.5	Very low	243 Å²	243	141 Å²	141	95%	0.953	76%	0.758	S	S	*	*			trans	-148.5	159.3	162.1	-111.1	-81.4	0	0	0	111.5
904	Q	21.8	Very low	23.5	Very low	170 Å²	170	149 Å²	149	79%	0.794	77%	0.772	S	S	*	*			trans	-116.2	178.2	-168	-59.5	179.9	-9.6	0	0	113.6
905	S	21.6	Very low	23.5	Very low	90 Å²	90	144.4 Å²	144.4	63%	0.629	76%	0.76	S	S	*	*			trans	91.8	147.8	154.4	-63.2	0	0	0	0	118.1
906	R	22.2	Very low	23.6	Very low	183 Å²	183	148.1 Å²	148.1	69%	0.691	76%	0.764	S	S	*	*			cis	-169.4	149.4	-10.8	-108.9	166.3	-167.4	-160.7	2.1	110.4
907	R	22.7	Very low	23.7	Very low	188 Å²	188	146.8 Å²	146.8	71%	0.709	76%	0.764	S	S	*	*			trans	62.3	120.4	141.6	-63.7	174	-168.6	-155.7	-0.4	118.3
908	L	23.1	Very low	23.8	Very low	155 Å²	155	148.9 Å²	148.9	81%	0.812	77%	0.773	S	S	*	*				67.7	153.2	80.1	-66.9	173.4	0	0	0	114.9
909	P	36.1	Very low	24	Very low	117 Å²	117	142.7 Å²	142.7	76%	0.76	77%	0.769	S	S	*	*			cis	-147.3	176	-44.6	41.7	-24.5	0	0	0	116.2
910	G	23.2	Very low	24	Very low	72 Å²	72	138.4 Å²	138.4	74%	0.742	77%	0.765	S	S	*	*			trans	92.6	179.8	147.3	0	0	0	0	0	118.4
911	K	25.1	Very low	23.6	Very low	191 Å²	191	137.5 Å²	137.5	83%	0.83	77%	0.768	S	S	*	*			cis	-175.2	154.9	-26.2	-131.7	-175.5	-177.8	-178.6	0	109.6
912	L	23.6	Very low	23.8	Very low	145 Å²	145	139.6 Å²	139.6	76%	0.759	77%	0.77	S	S	*	*			trans	72.1	166.6	159.9	-60.2	160.9	0	0	0	116.7
913	L	23.6	Very low	23.9	Very low	117 Å²	117	139.5 Å²	139.5	61%	0.613	77%	0.769	S	S	*	*			cis	-161.3	134.3	21.1	-136.5	140	0	0	0	113.7
914	R	24	Very low	24.1	Very low	222 Å²	222	133.2 Å²	133.2	84%	0.838	76%	0.76	S	S	*	*			trans	59.6	168.7	152.4	-86.6	-174.2	-175.8	138.7	-2.8	121.6
915	S	22.8	Very low	24.4	Very low	87 Å²	87	134.4 Å²	134.4	61%	0.608	77%	0.766	S	S	*	*			cis	-168.9	150.7	-14.7	43.9	0	0	0	0	113.9
916	Q	24.6	Very low	24.5	Very low	195 Å²	195	135.4 Å²	135.4	91%	0.911	77%	0.772	S	S	*	*			trans	35.2	149.3	138.8	-62.9	171.4	-35.9	0	0	122.1
917	G	22.8	Very low	24.6	Very low	58 Å²	58	131.4 Å²	131.4	60%	0.598	77%	0.771	S	S	*	*			cis	168.3	-165.9	3.6	0	0	0	0	0	113.1
918	F	23.8	Very low	24.8	Very low	218 Å²	218	133.4 Å²	133.4	96%	0.956	78%	0.778	S	S	*	*			trans	72.1	154.9	-176.3	-60.3	-90.5	0	0	0	116.4
919	A	23	Very low	24.9	Very low	89 Å²	89	134.5 Å²	134.5	74%	0.736	77%	0.772	S	S	*	*			cis	-178.4	169	-27.2	0	0	0	0	0	109.6
920	A	23.5	Very low	24.5	Very low	91 Å²	91	135.8 Å²	135.8	75%	0.752	77%	0.767	S	S	*	*			cis	-174.7	154.8	-38.6	0	0	0	0	0	111.2
921	A	22.9	Very low	24.7	Very low	104 Å²	104	136.3 Å²	136.3	86%	0.86	77%	0.765	S	S	*	*			trans	68.2	159.7	158.2	0	0	0	0	0	120.5
922	S	24.2	Very low	24.8	Very low	124 Å²	124	134.5 Å²	134.5	87%	0.867	76%	0.763	S	S	*	*			cis	-175.2	161.4	-26.8	-173.9	0	0	0	0	112.1
923	G	24.2	Very low	24.8	Very low	70 Å²	70	132.8 Å²	132.8	72%	0.722	76%	0.763	S	S	*	*			trans	91.9	158.1	162.3	0	0	0	0	0	117.7
924	S	26.4	Very low	24.9	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	77%	0.768	S	S	*	*			cis	-169.3	124.1	-8.2	46.1	0	0	0	0	110.5
925	Q	28.3	Very low	25.1	Very low	194 Å²	194	127.1 Å²	127.1	91%	0.907	77%	0.765	S	S	*	*				59.7	123.7	100	-76.7	-168.9	-9.1	0	0	120.5
926	C	24	Very low	25.5	Very low	112 Å²	112	128.1 Å²	128.1	76%	0.757	77%	0.772	S	S	*	*				-176.4	132.8	111.7	-136	0	0	0	0	111.9
927	C	24.8	Very low	25.9	Very low	99 Å²	99	123.6 Å²	123.6	67%	0.669	77%	0.768	S	S	*	*				91.4	108.7	88.8	-55.7	0	0	0	0	115.1
928	R	26.2	Very low	26.3	Very low	230 Å²	230	125 Å²	125	87%	0.868	78%	0.775	S	S	*	*				75.5	148	90.4	-82.4	-174.2	172.3	-172.4	-2.2	114.5
929	R	26.7	Very low	26.7	Very low	177 Å²	177	126.6 Å²	126.6	67%	0.668	77%	0.774	S	S	*	*			cis	-170	154.8	24.2	-141	177.4	164.5	-159.5	-28	113.9
930	E	27.1	Very low	27	Very low	144 Å²	144	126.9 Å²	126.9	67%	0.673	77%	0.771	S	S	*	*			trans	55	156.2	146.6	-82.1	151.6	-155.2	0	0	121.3
931	A	26.8	Very low	27.2	Very low	83 Å²	83	129.9 Å²	129.9	69%	0.686	77%	0.773	S	S	*	*			cis	-172.9	-173.1	-9.3	0	0	0	0	0	109
932	L	27.4	Very low	27.5	Very low	153 Å²	153	128.3 Å²	128.3	80%	0.801	76%	0.756	S	S	*	*			cis	-171	146.9	-7.6	-124	164.5	0	0	0	110.8
933	C	24.2	Very low	27.7	Very low	110 Å²	110	133 Å²	133	74%	0.743	76%	0.757	S	S	*	*			trans	59.2	162.7	158.1	-75.3	0	0	0	0	122.2
934	C	25	Very low	28	Very low	107 Å²	107	134 Å²	134	72%	0.723	75%	0.752	S	S	*	*			cis	-169.7	153.3	-27.5	-104.7	0	0	0	0	112.8
935	S	29	Very low	28.3	Very low	112 Å²	112	136.2 Å²	136.2	78%	0.783	75%	0.754	S	S	*	*			trans	42.1	152.7	143.5	-53.8	0	0	0	0	123.9
936	S	31.4	Very low	28.5	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	75%	0.747	S	S	*	*			cis	-178.7	160.4	-12.3	52.7	0	0	0	0	113.1
937	A	32.6	Very low	28.8	Very low	100 Å²	100	129.4 Å²	129.4	83%	0.826	74%	0.739	S	S	*	*			trans	68.4	158.7	157.7	0	0	0	0	0	120.5
938	A	30.9	Very low	29.2	Very low	89 Å²	89	132.5 Å²	132.5	74%	0.736	74%	0.744	S	S	*	*			cis	-172.3	167	-25.6	0	0	0	0	0	112.8
939	R	32.2	Very low	29.6	Very low	251 Å²	251	128.6 Å²	128.6	95%	0.947	74%	0.735	S	S	*	*			trans	67.6	160.6	163.9	-78.8	-177.9	163.5	173.4	-5.7	118.2
940	S	28.8	Very low	29.7	Very low	94 Å²	94	126.5 Å²	126.5	66%	0.657	74%	0.736	S	S	*	*			cis	-172.4	168.2	-24.7	-164.4	0	0	0	0	111.2
941	L	28.8	Very low	29.9	Very low	155 Å²	155	126.8 Å²	126.8	81%	0.812	74%	0.742	S	S	*	*			trans	65.8	162	163.2	-66.2	161.5	0	0	0	118.3
942	S	28.8	Very low	31	Very low	71 Å²	71	128.6 Å²	128.6	50%	0.497	75%	0.747	S	S	.	*			cis	-178.8	163.2	-38.9	52.7	0	0	0	0	111.5
943	Y	29.1	Very low	31.2	Very low	223 Å²	223	125.4 Å²	125.4	88%	0.875	74%	0.742	S	S	*	*			trans	72.3	159.7	170.4	-56.9	-73.4	0	0	0	118.3
944	S	29.6	Very low	31.5	Very low	91 Å²	91	124.5 Å²	124.5	64%	0.636	74%	0.737	S	S	*	*			cis	-175.2	165.7	-34	-162.4	0	0	0	0	111.3
945	L	31.9	Very low	31.8	Very low	157 Å²	157	130 Å²	130	82%	0.822	75%	0.745	S	S	*	*			trans	63.6	120.7	162.8	-66.7	148.3	0	0	0	117.4
946	A	33.4	Very low	32.1	Very low	92 Å²	92	130 Å²	130	76%	0.76	75%	0.745	S	S	*	*				96.1	160.9	68.2	0	0	0	0	0	112.2
947	A	31	Very low	32.3	Very low	71 Å²	71	130.4 Å²	130.4	59%	0.587	75%	0.747	S	S	*	*			cis	-159	157.2	1.5	0	0	0	0	0	111.5
948	H	32.8	Very low	33.1	Very low	165 Å²	165	131.9 Å²	131.9	76%	0.764	75%	0.748	S	S	*	*			trans	59.9	164.3	154	-60.6	-48	0	0	0	118.2
949	Q	33.3	Very low	33.3	Very low	148 Å²	148	133.2 Å²	133.2	69%	0.692	75%	0.752	S	S	*	*			cis	-163.2	178.9	-17	-107.4	175.5	67.7	0	0	106
950	L	30.1	Very low	33.6	Very low	132 Å²	132	125.2 Å²	125.2	69%	0.691	74%	0.739	S	S	*	*			cis	-148	-120.3	8.7	-143.6	170.9	0	0	0	111.2
951	L	31.1	Very low	34	Very low	151 Å²	151	126 Å²	126	79%	0.791	75%	0.745	S	S	*	*			trans	-149.9	-174.1	-176.4	-70.6	165.4	0	0	0	107.7
952	P	50.2	Low	34.3	Very low	120 Å²	120	124.6 Å²	124.6	78%	0.779	75%	0.748	S	S	*	*			cis	-136.5	-165	-3.7	35.5	-12.5	0	0	0	115.6
953	A	29.9	Very low	34.7	Very low	86 Å²	86	126.7 Å²	126.7	71%	0.711	76%	0.763	S	S	*	*			trans	91.7	94.8	143.5	0	0	0	0	0	123
954	S	32.6	Very low	35.4	Very low	91 Å²	91	121.9 Å²	121.9	64%	0.636	76%	0.759	S	S	*	*				18.7	133.6	128.2	57.3	0	0	0	0	122.9
955	Y	31	Very low	36.3	Very low	224 Å²	224	123.1 Å²	123.1	88%	0.878	77%	0.765	S	S	*	*				-179.6	177	102.5	-99.9	-67.3	0	0	0	113.9
956	S	34.6	Very low	36.9	Very low	112 Å²	112	121.1 Å²	121.1	78%	0.783	76%	0.761	S	S	*	*			trans	-84.6	164.5	-157.2	-44	0	0	0	0	118.7
957	S	36.3	Very low	37.5	Very low	116 Å²	116	122.4 Å²	122.4	81%	0.811	76%	0.762	S	S	*	*			trans	-70.5	164.6	175.7	-35	0	0	0	0	115.5
958	P	47.9	Very low	38	Very low	131 Å²	131	128.3 Å²	128.3	85%	0.851	78%	0.777	S	S	*	*				-149.5	-174.2	103.9	40.2	-23.2	0	0	0	116.2
959	S	35.8	Very low	38.3	Very low	117 Å²	117	124.7 Å²	124.7	82%	0.818	78%	0.776	S	S	*	*			trans	-100	-179.8	179.8	56.4	0	0	0	0	112.7
960	A	39.3	Very low	38.7	Very low	82 Å²	82	123.9 Å²	123.9	68%	0.678	78%	0.783	S	S	*	*			cis	-158.9	160	16.7	0	0	0	0	0	115.7
961	S	36.2	Very low	39.3	Very low	110 Å²	110	121 Å²	121	77%	0.769	78%	0.779	S	S	*	*			trans	43.5	120.4	147.3	64	0	0	0	0	124.5
962	S	34.7	Very low	40.5	Very low	126 Å²	126	123.6 Å²	123.6	88%	0.881	78%	0.779	S	S	*	*				-180	155.8	115.5	39.5	0	0	0	0	112.7
963	S	37.8	Very low	40.7	Very low	115 Å²	115	121.9 Å²	121.9	80%	0.804	76%	0.763	S	S	*	*			trans	-120.1	168.7	-170.9	-38.1	0	0	0	0	112.2
964	P	43.2	Very low	42	Very low	123 Å²	123	121 Å²	121	80%	0.799	75%	0.746	S	S	*	*				-149.2	-150	82	50.1	-30.4	0	0	0	113.1
965	P	49.5	Very low	43.1	Very low	116 Å²	116	125 Å²	125	75%	0.753	76%	0.761	S	S	*	*			trans	-120.8	-156.4	-141	34.2	-7.3	0	0	0	112.7
966	P	44.4	Very low	44.5	Very low	115 Å²	115	121.6 Å²	121.6	75%	0.747	76%	0.758	S	S	*	*			cis	-125.9	-157.1	-7.5	46.4	-29.3	0	0	0	111.3
967	P	45.4	Very low	45.5	Very low	120 Å²	120	118.2 Å²	118.2	78%	0.779	74%	0.74	S	S	*	*			cis	-123.9	-168.4	-8.4	42.8	-25.7	0	0	0	114.7
968	H	42.2	Very low	46.3	Very low	195 Å²	195	117.9 Å²	117.9	90%	0.903	73%	0.729	S	S	*	*			trans	-77.4	146.7	-166.1	-67.9	-97	0	0	0	116.7
969	A	39.7	Very low	46.7	Very low	89 Å²	89	116 Å²	116	74%	0.736	72%	0.717	S	S	*	*			trans	-131.4	156.7	156.1	0	0	0	0	0	108.4
970	P	41.7	Very low	47.7	Very low	130 Å²	130	113 Å²	113	84%	0.844	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-72.6	142.9	-172.9	29	-35	0	0	0	112.8
971	A	42.1	Very low	48.3	Very low	73 Å²	73	113.5 Å²	113.5	60%	0.603	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-74.8	136.8	171.3	0	0	0	0	0	110.6	L973	A971-L973 HydrophobicContact CB-CD2 4.29Å
972	Y	56.1	Low	49.5	Very low	205 Å²	205	116.1 Å²	116.1	80%	0.804	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-79.7	121.4	164.4	-170.3	-83.8	0	0	0	107.9
973	L	54.8	Low	51.1	Low	83 Å²	83	113.3 Å²	113.3	44%	0.435	67%	0.669	S	S	.	*	B	Isolated β-bridge	trans	-102.9	153.7	177.8	-54.8	175	0	0	0	109.4	A971 L978 P979	A971-L973 HydrophobicContact CB-CD2 4.29Å; L973-L978 WeakPolarHBondContact CA-O 3.44Å; L973-P979 HydrophobicContact CD2-CB 4.36Å; L973-P979 HydrophobicContact CD2-CG 4Å
974	D	57.1	Low	52.4	Low	67 Å²	67	111.1 Å²	111.1	36%	0.358	66%	0.659	S	S	.	*			trans	-78.2	177.7	165.6	48.7	33.2	0	0	0	111.8	D976 G977 L978 V980	D974-D976 PolarHBondContact O-N 3.37Å; D974-G977 WeakPolarHBondContact O-CA 3.43Å; D974-G977 PolarHBondContact O-N 3.49Å; D974-G977 PolarHBondContact OD1-N 3.24Å; D974-L978 PolarHBondContact N-O 2.83Å; D974-L978 PolarHBondContact OD1-N 2.75Å; D974-V980 HydrophobicContact CB-CG2 4.04Å
975	D	55.5	Low	53.3	Low	176 Å²	176	109.8 Å²	109.8	94%	0.941	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-20.8	-176.9	-67.1	-57.6	0	0	0	113.4	G977	D975-G977 VanDerWaalsContact C-N 3.34Å
976	D	61.2	Low	53.9	Low	152 Å²	152	108.7 Å²	108.7	81%	0.813	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-2	173.3	-69.9	-32.3	0	0	0	112.9	D974	D974-D976 PolarHBondContact O-N 3.37Å
977	G	55.2	Low	55.2	Low	41 Å²	41	108.3 Å²	108.3	42%	0.423	62%	0.621	S	S	.	*	S	Bend	trans	83.9	21.2	173.3	0	0	0	0	0	115.3	D974 D975	D974-G977 WeakPolarHBondContact O-CA 3.43Å; D974-G977 PolarHBondContact O-N 3.49Å; D974-G977 PolarHBondContact OD1-N 3.24Å; D975-G977 VanDerWaalsContact C-N 3.34Å
978	L	53.1	Low	56.4	Low	110 Å²	110	111.1 Å²	111.1	58%	0.576	62%	0.616	S	S	*	*			trans	-106.9	151.2	-176.9	-65.3	176.6	0	0	0	113.1	L973 D974 V980	L973-L978 WeakPolarHBondContact CA-O 3.44Å; D974-L978 PolarHBondContact N-O 2.83Å; D974-L978 PolarHBondContact OD1-N 2.75Å; L978-V980 PolarHBondContact O-N 3.4Å
979	P	55.9	Low	57.4	Low	91 Å²	91	106.8 Å²	106.8	59%	0.591	60%	0.599	S	S	*	*	B	Isolated β-bridge	trans	-75.4	114.7	176.4	-13.4	29.7	0	0	0	111.3	L973 P981	L973-P979 HydrophobicContact CD2-CB 4.36Å; L973-P979 HydrophobicContact CD2-CG 4Å; P979-P981 WeakPolarHBondContact O-CD 3.33Å
980	V	57	Low	58.9	Low	53 Å²	53	108.8 Å²	108.8	32%	0.321	59%	0.587	S	S	.	*			trans	-64.3	124.1	-177.7	-177.2	0	0	0	0	111.6	D974 L978	D974-V980 HydrophobicContact CB-CG2 4.04Å; L978-V980 PolarHBondContact O-N 3.4Å
981	P	52.3	Low	60.2	Low	93 Å²	93	109 Å²	109	60%	0.604	58%	0.577	S	S	*	*			trans	-65	136	173.7	-21.9	34.2	0	0	0	112.5	P979 D983	P979-P981 WeakPolarHBondContact O-CD 3.33Å; P981-D983 PolarHBondContact O-N 3.43Å
982	L	60	Low	61.6	Low	166 Å²	166	109.8 Å²	109.8	87%	0.869	57%	0.57	S	S	*	*			trans	-80.5	63.9	173.4	-76.8	168	0	0	0	111.5
983	D	68.5	Low	62.4	Low	66 Å²	66	104.4 Å²	104.4	35%	0.353	55%	0.553	S	S	.	*			trans	-78.7	124.2	167.6	170.3	37.6	0	0	0	111.2	P981 V985 Q986 Q987	P981-D983 PolarHBondContact O-N 3.43Å; D983-V985 VanDerWaalsContact C-N 3.25Å; D983-V985 PolarHBondContact O-N 3.48Å; D983-V985 PolarHBondContact OD1-N 3.17Å; D983-V985 WeakPolarHBondContact OD2-CB 3.43Å; D983-V985 PolarHBondContact OD2-N 3.25Å; D983-Q986 HydrophobicContact CB-CB 4.27Å; D983-Q986 HydrophobicContact CB-CG 4.41Å; D983-Q986 PolarHBondContact O-N 2.87Å; D983-Q986 WeakPolarHBondContact OD2-CG 3.49Å; D983-Q986 PolarHBondContact OD2-N 2.88Å; D983-Q987 PolarHBondContact O-N 2.93Å
984	A	66.5	Low	63.6	Low	70 Å²	70	103.1 Å²	103.1	58%	0.579	55%	0.554	S	S	*	*	H	α-helix	trans	-65.1	-26.5	176.9	0	0	0	0	0	112.8	R988	A984-R988 WeakPolarHBondContact O-CB 3.32Å; A984-R988 PolarHBondContact O-N 3.45Å
985	V	61.4	Low	64.7	Low	95 Å²	95	101.7 Å²	101.7	58%	0.576	56%	0.555	S	S	*	*	H	α-helix	trans	-72.1	-48	176.7	-172.6	0	0	0	0	110.2	D983 Q987 R988 L989	D983-V985 VanDerWaalsContact C-N 3.25Å; D983-V985 PolarHBondContact O-N 3.48Å; D983-V985 PolarHBondContact OD1-N 3.17Å; D983-V985 WeakPolarHBondContact OD2-CB 3.43Å; D983-V985 PolarHBondContact OD2-N 3.25Å; V985-Q987 VanDerWaalsContact C-N 3.29Å; V985-Q987 PolarHBondContact O-N 3.41Å; V985-R988 PolarHBondContact O-N 3.41Å; V985-L989 HydrophobicContact CG1-CD1 4.29Å; V985-L989 WeakPolarHBondContact O-CB 3.43Å; V985-L989 WeakPolarHBondContact O-CG 3.35Å; V985-L989 PolarHBondContact O-N 3.09Å
986	Q	62.1	Low	65.2	Low	92 Å²	92	100.5 Å²	100.5	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-59.1	-35.3	170.4	-77.4	-170.7	-10.7	0	0	113.5	D983 R990	D983-Q986 HydrophobicContact CB-CB 4.27Å; D983-Q986 HydrophobicContact CB-CG 4.41Å; D983-Q986 PolarHBondContact O-N 2.87Å; D983-Q986 WeakPolarHBondContact OD2-CG 3.49Å; D983-Q986 PolarHBondContact OD2-N 2.88Å; Q986-R990 PolarHBondContact O-N 2.7Å; Q986-R990 VanDerWaalsContact O-N 3.09Å; Q986-R990 PolarHBondContact O-NE 2.89Å
987	Q	70.7	Confident	65.8	Low	108 Å²	108	99.7 Å²	99.7	51%	0.505	53%	0.528	S	S	.	.	H	α-helix	trans	-69.7	-38.6	176.4	-162.2	172.6	20	0	0	111.7	D983 V985 R990 Q991	D983-Q987 PolarHBondContact O-N 2.93Å; V985-Q987 VanDerWaalsContact C-N 3.29Å; V985-Q987 PolarHBondContact O-N 3.41Å; Q987-R990 PolarHBondContact O-N 3.38Å; Q987-Q991 PolarHBondContact O-N 3.15Å; Q987-Q991 VanDerWaalsContact O-N 3.12Å
988	R	71.3	Confident	67	Low	179 Å²	179	104.8 Å²	104.8	68%	0.675	54%	0.541	S	S	*	.	H	α-helix	trans	-72.3	-35.6	175.9	-165.1	168.7	-173.5	162	1.4	112.7	A984 V985 Q991 I992	A984-R988 WeakPolarHBondContact O-CB 3.32Å; A984-R988 PolarHBondContact O-N 3.45Å; V985-R988 PolarHBondContact O-N 3.41Å; R988-Q991 PolarHBondContact O-N 2.74Å; R988-I992 HydrophobicContact CG-CD1 4.42Å; R988-I992 WeakPolarHBondContact O-CG1 3.34Å; R988-I992 PolarHBondContact O-N 3.2Å
989	L	62.4	Low	68	Low	104 Å²	104	105 Å²	105	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-59.1	-46.7	169.8	-83	163.9	0	0	0	111.2	V985 Q991 I992 E993	V985-L989 HydrophobicContact CG1-CD1 4.29Å; V985-L989 WeakPolarHBondContact O-CB 3.43Å; V985-L989 WeakPolarHBondContact O-CG 3.35Å; V985-L989 PolarHBondContact O-N 3.09Å; L989-Q991 VanDerWaalsContact C-N 3.3Å; L989-Q991 PolarHBondContact O-N 2.74Å; L989-I992 PolarHBondContact O-N 2.79Å; L989-I992 VanDerWaalsContact O-N 3.15Å; L989-E993 WeakPolarHBondContact O-CB 3.2Å; L989-E993 PolarHBondContact O-N 3Å
990	R	71.5	Confident	69	Low	130 Å²	130	103.7 Å²	103.7	49%	0.491	53%	0.529	S	S	.	.	H	α-helix	trans	-63.5	-31.5	175.4	-77.8	-177.2	-79.3	-174.5	-7.8	113.4	Q986 Q987 A994	Q986-R990 PolarHBondContact O-N 2.7Å; Q986-R990 VanDerWaalsContact O-N 3.09Å; Q986-R990 PolarHBondContact O-NE 2.89Å; Q987-R990 PolarHBondContact O-N 3.38Å; R990-A994 VanDerWaalsContact O-CB 3.28Å; R990-A994 WeakPolarHBondContact O-CB 3.26Å; R990-A994 PolarHBondContact O-N 2.74Å
991	Q	69.8	Low	70	Confident	136 Å²	136	104.2 Å²	104.2	64%	0.636	53%	0.528	S	S	*	.	H	α-helix	trans	-68.9	-40.9	171.3	-75.2	-179.4	-27.4	0	0	112.7	Q987 R988 L989 A994 G995	Q987-Q991 PolarHBondContact O-N 3.15Å; Q987-Q991 VanDerWaalsContact O-N 3.12Å; R988-Q991 PolarHBondContact O-N 2.74Å; L989-Q991 VanDerWaalsContact C-N 3.3Å; L989-Q991 PolarHBondContact O-N 2.74Å; Q991-A994 PolarHBondContact O-N 3.29Å; Q991-G995 PolarHBondContact O-N 3.18Å
992	I	71.4	Confident	71.5	Confident	89 Å²	89	103.1 Å²	103.1	46%	0.456	52%	0.519	S	S	.	.	H	α-helix	trans	-64.3	-44.9	175.3	-68.8	162.5	0	0	0	110.4	R988 L989 G995 Y996	R988-I992 HydrophobicContact CG-CD1 4.42Å; R988-I992 WeakPolarHBondContact O-CG1 3.34Å; R988-I992 PolarHBondContact O-N 3.2Å; L989-I992 PolarHBondContact O-N 2.79Å; L989-I992 VanDerWaalsContact O-N 3.15Å; I992-G995 PolarHBondContact O-N 3.32Å; I992-Y996 HydrophobicContact CG2-CD2 3.78Å; I992-Y996 HydrophobicContact CG2-CE2 3.65Å; I992-Y996 WeakPolarHBondContact O-CD2 3.36Å; I992-Y996 PolarHBondContact O-N 3.4Å
993	E	73	Confident	72	Confident	92 Å²	92	99.7 Å²	99.7	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-41.7	176.8	-166.3	-161.7	155.8	0	0	112.2	L989 G995 Y996 K997	L989-E993 WeakPolarHBondContact O-CB 3.2Å; L989-E993 PolarHBondContact O-N 3Å; E993-G995 VanDerWaalsContact C-N 3.35Å; E993-Y996 PolarHBondContact O-N 3.22Å; E993-K997 HydrophobicContact CG-CD 4.34Å; E993-K997 WeakPolarHBondContact O-CB 3.28Å; E993-K997 WeakPolarHBondContact O-CG 3.33Å; E993-K997 PolarHBondContact O-N 2.72Å; E993-K997 VanDerWaalsContact OE1-CE 3.27Å; E993-K997 WeakPolarHBondContact OE1-CE 3.43Å; E993-K997 IonicContact OE1-NZ 3.25Å; E993-K997 PolarHBondContact OE1-NZ 3.44Å
994	A	78.9	Confident	72.2	Confident	55 Å²	55	103.4 Å²	103.4	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-63.1	-40.1	174	0	0	0	0	0	112.1	R990 Q991 K997 Q998	R990-A994 VanDerWaalsContact O-CB 3.28Å; R990-A994 WeakPolarHBondContact O-CB 3.26Å; R990-A994 PolarHBondContact O-N 2.74Å; Q991-A994 PolarHBondContact O-N 3.29Å; A994-K997 PolarHBondContact O-N 2.93Å; A994-Q998 WeakPolarHBondContact O-CB 3.48Å; A994-Q998 PolarHBondContact O-N 2.9Å
995	G	81.1	Confident	72.7	Confident	38 Å²	38	105.4 Å²	105.4	39%	0.392	51%	0.508	S	S	.	.	H	α-helix	trans	-59.4	-52.7	173.5	0	0	0	0	0	112.3	Q991 I992 E993 K997 Q998 E999	Q991-G995 PolarHBondContact O-N 3.18Å; I992-G995 PolarHBondContact O-N 3.32Å; E993-G995 VanDerWaalsContact C-N 3.35Å; G995-K997 VanDerWaalsContact C-N 3.34Å; G995-K997 PolarHBondContact O-N 3.36Å; G995-Q998 PolarHBondContact O-N 2.87Å; G995-Q998 VanDerWaalsContact O-N 3.13Å; G995-E999 PolarHBondContact O-N 2.59Å
996	Y	65	Low	73.3	Confident	151 Å²	151	105.9 Å²	105.9	59%	0.592	50%	0.504	S	S	*	.	H	α-helix	trans	-60.4	-40.2	176.3	-80.7	-61.6	0	0	0	112.7	I992 E993 Q998 E999 V1000	I992-Y996 HydrophobicContact CG2-CD2 3.78Å; I992-Y996 HydrophobicContact CG2-CE2 3.65Å; I992-Y996 WeakPolarHBondContact O-CD2 3.36Å; I992-Y996 PolarHBondContact O-N 3.4Å; E993-Y996 PolarHBondContact O-N 3.22Å; Y996-Q998 VanDerWaalsContact C-N 3.3Å; Y996-Q998 PolarHBondContact O-N 2.75Å; Y996-E999 PolarHBondContact O-N 2.99Å; Y996-V1000 WeakPolarHBondContact O-CB 3.4Å; Y996-V1000 VanDerWaalsContact O-CG2 3.28Å; Y996-V1000 WeakPolarHBondContact O-CG2 3.43Å; Y996-V1000 PolarHBondContact O-N 2.77Å
997	K	73.4	Confident	73.7	Confident	135 Å²	135	105.3 Å²	105.3	59%	0.587	51%	0.506	S	S	*	.	H	α-helix	trans	-61.5	-37.4	175.3	-79.7	172.4	168.7	174.1	0	112.3	E993 A994 G995 E1001	E993-K997 HydrophobicContact CG-CD 4.34Å; E993-K997 WeakPolarHBondContact O-CB 3.28Å; E993-K997 WeakPolarHBondContact O-CG 3.33Å; E993-K997 PolarHBondContact O-N 2.72Å; E993-K997 VanDerWaalsContact OE1-CE 3.27Å; E993-K997 WeakPolarHBondContact OE1-CE 3.43Å; E993-K997 IonicContact OE1-NZ 3.25Å; E993-K997 PolarHBondContact OE1-NZ 3.44Å; A994-K997 PolarHBondContact O-N 2.93Å; G995-K997 VanDerWaalsContact C-N 3.34Å; G995-K997 PolarHBondContact O-N 3.36Å; K997-E1001 PolarHBondContact O-N 2.79Å
998	Q	80.8	Confident	73.6	Confident	148 Å²	148	105.9 Å²	105.9	69%	0.692	50%	0.504	S	S	*	.	H	α-helix	trans	-70.8	-41.8	176.5	-167.8	170.2	10.2	0	0	112	A994 G995 Y996 E1001 V1002	A994-Q998 WeakPolarHBondContact O-CB 3.48Å; A994-Q998 PolarHBondContact O-N 2.9Å; G995-Q998 PolarHBondContact O-N 2.87Å; G995-Q998 VanDerWaalsContact O-N 3.13Å; Y996-Q998 VanDerWaalsContact C-N 3.3Å; Y996-Q998 PolarHBondContact O-N 2.75Å; Q998-E1001 PolarHBondContact O-N 3.1Å; Q998-V1002 WeakPolarHBondContact O-CG2 3.41Å; Q998-V1002 PolarHBondContact O-N 3.36Å; Q998-V1002 VanDerWaalsContact O-N 3.12Å
999	E	75.1	Confident	73.5	Confident	113 Å²	113	102.8 Å²	102.8	53%	0.528	50%	0.497	S	S	.	.	H	α-helix	trans	-65.5	-41.6	177.1	-171	166.7	-129.4	0	0	112.4	G995 Y996 E1001 V1002 L1003	G995-E999 PolarHBondContact O-N 2.59Å; Y996-E999 PolarHBondContact O-N 2.99Å; E999-E1001 VanDerWaalsContact C-N 3.32Å; E999-E1001 PolarHBondContact O-N 3.13Å; E999-V1002 PolarHBondContact O-N 2.6Å; E999-L1003 HydrophobicContact CG-CD1 4.41Å; E999-L1003 WeakPolarHBondContact O-CG 3.47Å; E999-L1003 PolarHBondContact O-N 3.2Å
1000	V	75.6	Confident	73.6	Confident	65 Å²	65	102.6 Å²	102.6	39%	0.394	50%	0.496	S	S	.	.	H	α-helix	trans	-58.7	-40.7	173.4	165.3	0	0	0	0	111.9	Y996 L1003 R1004	Y996-V1000 WeakPolarHBondContact O-CB 3.4Å; Y996-V1000 VanDerWaalsContact O-CG2 3.28Å; Y996-V1000 WeakPolarHBondContact O-CG2 3.43Å; Y996-V1000 PolarHBondContact O-N 2.77Å; V1000-L1003 PolarHBondContact O-N 3.06Å; V1000-R1004 HydrophobicContact CG1-CG 4.46Å; V1000-R1004 WeakPolarHBondContact O-CB 3.14Å; V1000-R1004 WeakPolarHBondContact O-CD 3.19Å; V1000-R1004 VanDerWaalsContact O-CG 3.23Å; V1000-R1004 WeakPolarHBondContact O-CG 3.2Å; V1000-R1004 PolarHBondContact O-N 3.02Å
1001	E	78.9	Confident	73.3	Confident	64 Å²	64	101.2 Å²	101.2	30%	0.299	50%	0.495	S	S	.	.	H	α-helix	trans	-73	-33	179.1	-166.6	54	-146.4	0	0	112.5	K997 Q998 E999 R1004 Q1005 R1008	K997-E1001 PolarHBondContact O-N 2.79Å; Q998-E1001 PolarHBondContact O-N 3.1Å; E999-E1001 VanDerWaalsContact C-N 3.32Å; E999-E1001 PolarHBondContact O-N 3.13Å; E1001-R1004 PolarHBondContact O-N 3.01Å; E1001-R1004 WeakPolarHBondContact OE2-CD 3.47Å; E1001-R1004 IonicContact OE2-NH1 2.98Å; E1001-R1004 PolarHBondContact OE2-NH1 3.17Å; E1001-R1004 VanDerWaalsContact OE2-NH1 3.13Å; E1001-Q1005 WeakPolarHBondContact O-CG 3.4Å; E1001-Q1005 PolarHBondContact O-N 2.84Å; E1001-R1008 IonicContact OE1-CZ 3.56Å; E1001-R1008 IonicContact OE1-NH1 3.5Å; E1001-R1008 IonicContact OE1-NH2 2.72Å; E1001-R1008 PolarHBondContact OE1-NH2 3.25Å
1002	V	84.7	Confident	72.9	Confident	70 Å²	70	100.9 Å²	100.9	42%	0.424	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-47.7	169.4	171.1	0	0	0	0	110.9	Q998 E999 R1004 Q1005 Q1006	Q998-V1002 WeakPolarHBondContact O-CG2 3.41Å; Q998-V1002 PolarHBondContact O-N 3.36Å; Q998-V1002 VanDerWaalsContact O-N 3.12Å; E999-V1002 PolarHBondContact O-N 2.6Å; V1002-R1004 PolarHBondContact O-N 2.81Å; V1002-Q1005 WeakPolarHBondContact O-CB 3.16Å; V1002-Q1005 PolarHBondContact O-N 3.11Å; V1002-Q1005 VanDerWaalsContact O-N 3.12Å; V1002-Q1006 WeakPolarHBondContact O-CG 3.37Å; V1002-Q1006 PolarHBondContact O-N 3.46Å
1003	L	69.8	Low	72.6	Confident	93 Å²	93	104.3 Å²	104.3	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-42	177.1	-70.7	168.9	0	0	0	111.8	E999 V1000 Q1005 Q1006 V1007	E999-L1003 HydrophobicContact CG-CD1 4.41Å; E999-L1003 WeakPolarHBondContact O-CG 3.47Å; E999-L1003 PolarHBondContact O-N 3.2Å; V1000-L1003 PolarHBondContact O-N 3.06Å; L1003-Q1005 VanDerWaalsContact C-N 3.3Å; L1003-Q1005 PolarHBondContact O-N 3.22Å; L1003-Q1006 PolarHBondContact O-N 2.96Å; L1003-Q1006 VanDerWaalsContact O-N 3.15Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.28Å; L1003-V1007 PolarHBondContact O-N 3.15Å
1004	R	73.3	Confident	71.5	Confident	144 Å²	144	105.9 Å²	105.9	54%	0.543	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-35.9	173	-73.2	165.1	166.9	-170.6	-4.6	112.6	V1000 E1001 V1002 R1008	V1000-R1004 HydrophobicContact CG1-CG 4.46Å; V1000-R1004 WeakPolarHBondContact O-CB 3.14Å; V1000-R1004 WeakPolarHBondContact O-CD 3.19Å; V1000-R1004 VanDerWaalsContact O-CG 3.23Å; V1000-R1004 WeakPolarHBondContact O-CG 3.2Å; V1000-R1004 PolarHBondContact O-N 3.02Å; E1001-R1004 PolarHBondContact O-N 3.01Å; E1001-R1004 WeakPolarHBondContact OE2-CD 3.47Å; E1001-R1004 IonicContact OE2-NH1 2.98Å; E1001-R1004 PolarHBondContact OE2-NH1 3.17Å; E1001-R1004 VanDerWaalsContact OE2-NH1 3.13Å; V1002-R1004 PolarHBondContact O-N 2.81Å; R1004-R1008 WeakPolarHBondContact O-CG 3.39Å; R1004-R1008 PolarHBondContact O-N 2.98Å; R1004-R1008 PolarHBondContact O-NE 3.19Å
1005	Q	76.5	Confident	70.3	Confident	112 Å²	112	108.6 Å²	108.6	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-68.8	-39.2	173.6	-72.1	-179.5	20.5	0	0	112.1	E1001 V1002 L1003 R1008 Q1009	E1001-Q1005 WeakPolarHBondContact O-CG 3.4Å; E1001-Q1005 PolarHBondContact O-N 2.84Å; V1002-Q1005 WeakPolarHBondContact O-CB 3.16Å; V1002-Q1005 PolarHBondContact O-N 3.11Å; V1002-Q1005 VanDerWaalsContact O-N 3.12Å; L1003-Q1005 VanDerWaalsContact C-N 3.3Å; L1003-Q1005 PolarHBondContact O-N 3.22Å; Q1005-R1008 PolarHBondContact O-N 2.9Å; Q1005-Q1009 PolarHBondContact O-N 3.28Å
1006	Q	74	Confident	68.8	Low	105 Å²	105	111 Å²	111	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-63.5	-44.9	175.3	-67.8	177.7	9.2	0	0	112.2	V1002 L1003 R1008 Q1009 L1010	V1002-Q1006 WeakPolarHBondContact O-CG 3.37Å; V1002-Q1006 PolarHBondContact O-N 3.46Å; L1003-Q1006 PolarHBondContact O-N 2.96Å; L1003-Q1006 VanDerWaalsContact O-N 3.15Å; Q1006-R1008 PolarHBondContact O-N 2.85Å; Q1006-Q1009 PolarHBondContact O-N 3.23Å; Q1006-L1010 WeakPolarHBondContact O-CG 3.48Å; Q1006-L1010 PolarHBondContact O-N 2.76Å
1007	V	70.9	Confident	67.9	Low	81 Å²	81	112.7 Å²	112.7	49%	0.491	54%	0.538	S	S	.	.	H	α-helix	trans	-58.8	-46.4	175.8	172	0	0	0	0	111.3	L1003 Q1009 L1010 Q1011	L1003-V1007 WeakPolarHBondContact O-CG2 3.28Å; L1003-V1007 PolarHBondContact O-N 3.15Å; V1007-Q1009 VanDerWaalsContact C-N 3.33Å; V1007-Q1009 PolarHBondContact O-N 3.18Å; V1007-L1010 PolarHBondContact O-N 3.29Å; V1007-L1010 VanDerWaalsContact O-N 3.08Å; V1007-Q1011 PolarHBondContact O-N 2.75Å
1008	R	67.4	Low	66.8	Low	119 Å²	119	113.4 Å²	113.4	45%	0.449	54%	0.543	S	S	.	.	H	α-helix	trans	-62.7	-35.4	176.6	-74.8	173.2	-71.1	-166.1	3.2	112.8	E1001 R1004 Q1005 Q1006 M1012	E1001-R1008 IonicContact OE1-CZ 3.56Å; E1001-R1008 IonicContact OE1-NH1 3.5Å; E1001-R1008 IonicContact OE1-NH2 2.72Å; E1001-R1008 PolarHBondContact OE1-NH2 3.25Å; R1004-R1008 WeakPolarHBondContact O-CG 3.39Å; R1004-R1008 PolarHBondContact O-N 2.98Å; R1004-R1008 PolarHBondContact O-NE 3.19Å; Q1005-R1008 PolarHBondContact O-N 2.9Å; Q1006-R1008 PolarHBondContact O-N 2.85Å; R1008-M1012 PolarHBondContact O-N 3.48Å
1009	Q	70.9	Confident	65.1	Low	114 Å²	114	115.5 Å²	115.5	53%	0.533	55%	0.55	S	S	.	*	H	α-helix	trans	-67.4	-34.8	171.7	-76.2	-166.4	10.2	0	0	113.3	Q1005 Q1006 V1007 R1013	Q1005-Q1009 PolarHBondContact O-N 3.28Å; Q1006-Q1009 PolarHBondContact O-N 3.23Å; V1007-Q1009 VanDerWaalsContact C-N 3.33Å; V1007-Q1009 PolarHBondContact O-N 3.18Å; Q1009-R1013 WeakPolarHBondContact O-CG 3.49Å; Q1009-R1013 PolarHBondContact O-N 3.43Å
1010	L	63.8	Low	63.1	Low	100 Å²	100	115.6 Å²	115.6	52%	0.524	56%	0.563	S	S	.	*	H	α-helix	trans	-72.3	-40.3	178	-70.5	169.8	0	0	0	111.8	Q1006 V1007 R1013 L1014	Q1006-L1010 WeakPolarHBondContact O-CG 3.48Å; Q1006-L1010 PolarHBondContact O-N 2.76Å; V1007-L1010 PolarHBondContact O-N 3.29Å; V1007-L1010 VanDerWaalsContact O-N 3.08Å; L1010-R1013 WeakPolarHBondContact O-CB 3.34Å; L1010-R1013 PolarHBondContact O-N 3.5Å; L1010-L1014 PolarHBondContact O-N 3.12Å; L1010-L1014 VanDerWaalsContact O-N 3.08Å
1011	Q	65.3	Low	61.2	Low	102 Å²	102	119 Å²	119	48%	0.477	58%	0.584	S	S	.	*	H	α-helix	trans	-60.4	-50.2	175.8	-71.8	176.1	-77.1	0	0	111.9	V1007 R1013 L1014 E1015	V1007-Q1011 PolarHBondContact O-N 2.75Å; Q1011-R1013 PolarHBondContact O-N 2.72Å; Q1011-L1014 WeakPolarHBondContact O-CB 3.14Å; Q1011-L1014 PolarHBondContact O-N 2.71Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.44Å; Q1011-E1015 PolarHBondContact O-N 3.35Å
1012	M	61.8	Low	59.1	Low	129 Å²	129	121.5 Å²	121.5	64%	0.635	61%	0.606	S	S	*	*	H	α-helix	trans	-61.8	-27.9	177.1	-69.2	-160.3	-59.8	0	0	113.3	R1008 S1016	R1008-M1012 PolarHBondContact O-N 3.48Å; M1012-S1016 VanDerWaalsContact O-CB 3.3Å; M1012-S1016 WeakPolarHBondContact O-CB 3.34Å; M1012-S1016 PolarHBondContact O-N 3.14Å; M1012-S1016 PolarHBondContact O-OG 3.18Å
1013	R	64.1	Low	56.6	Low	160 Å²	160	124.2 Å²	124.2	60%	0.604	63%	0.625	S	S	*	*	H	α-helix	trans	-71	-36.6	172.6	-76.9	177.9	-177.4	170.5	6.3	112.6	Q1009 L1010 Q1011 S1016	Q1009-R1013 WeakPolarHBondContact O-CG 3.49Å; Q1009-R1013 PolarHBondContact O-N 3.43Å; L1010-R1013 WeakPolarHBondContact O-CB 3.34Å; L1010-R1013 PolarHBondContact O-N 3.5Å; Q1011-R1013 PolarHBondContact O-N 2.72Å; R1013-S1016 PolarHBondContact O-OG 2.77Å
1014	L	49.7	Very low	54.9	Low	125 Å²	125	125.4 Å²	125.4	65%	0.654	64%	0.641	S	S	*	*	H	α-helix	trans	-65.7	-50.3	172.9	-98.7	116.3	0	0	0	111.1	L1010 Q1011 S1016 K1017	L1010-L1014 PolarHBondContact O-N 3.12Å; L1010-L1014 VanDerWaalsContact O-N 3.08Å; Q1011-L1014 WeakPolarHBondContact O-CB 3.14Å; Q1011-L1014 PolarHBondContact O-N 2.71Å; L1014-S1016 VanDerWaalsContact C-N 3.3Å; L1014-S1016 PolarHBondContact O-N 2.79Å; L1014-K1017 PolarHBondContact O-N 3.39Å; L1014-K1017 VanDerWaalsContact O-N 3.07Å
1015	E	53.5	Low	53.1	Low	113 Å²	113	127 Å²	127	53%	0.528	66%	0.655	S	S	.	*	H	α-helix	trans	-60	-39.2	-179.5	-68.5	164.9	178.1	0	0	111.9	Q1011 K1017 Q1018	Q1011-E1015 WeakPolarHBondContact O-CG 3.44Å; Q1011-E1015 PolarHBondContact O-N 3.35Å; E1015-K1017 PolarHBondContact O-N 3.38Å; E1015-Q1018 PolarHBondContact O-N 3.41Å
1016	S	49.3	Very low	51.4	Low	89 Å²	89	127.1 Å²	127.1	62%	0.622	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-12	177.2	72.9	0	0	0	0	115.2	M1012 R1013 L1014	M1012-S1016 VanDerWaalsContact O-CB 3.3Å; M1012-S1016 WeakPolarHBondContact O-CB 3.34Å; M1012-S1016 PolarHBondContact O-N 3.14Å; M1012-S1016 PolarHBondContact O-OG 3.18Å; R1013-S1016 PolarHBondContact O-OG 2.77Å; L1014-S1016 VanDerWaalsContact C-N 3.3Å; L1014-S1016 PolarHBondContact O-N 2.79Å
1017	K	47.8	Very low	49.2	Very low	185 Å²	185	129 Å²	129	80%	0.804	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-5	176	-74.1	-170.7	170.9	-170.1	0	114.3	L1014 E1015	L1014-K1017 PolarHBondContact O-N 3.39Å; L1014-K1017 VanDerWaalsContact O-N 3.07Å; E1015-K1017 PolarHBondContact O-N 3.38Å
1018	Q	49.8	Very low	47	Very low	151 Å²	151	130.8 Å²	130.8	71%	0.706	69%	0.69	S	S	*	*	S	Bend	trans	-101.4	-4.8	-173.4	-71.6	-173.9	-33.3	0	0	115.2	E1015	E1015-Q1018 PolarHBondContact O-N 3.41Å
1019	F	44.7	Very low	45.4	Very low	192 Å²	192	131.4 Å²	131.4	84%	0.842	70%	0.702	S	S	*	*			trans	-118.9	70.2	-179.7	-81	-82.1	0	0	0	113.3
1020	S	32.7	Very low	43.4	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	72%	0.715	S	S	*	*			trans	-144.6	74.6	168.5	-68.1	0	0	0	0	111.2
1021	T	35.3	Very low	41.8	Very low	136 Å²	136	138.2 Å²	138.2	83%	0.834	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-83.8	142.5	165.9	28.4	0	0	0	0	110.8
1022	P	35.7	Very low	40.2	Very low	117 Å²	117	140.6 Å²	140.6	76%	0.76	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-76.8	152.8	-176.8	31.7	-35.6	0	0	0	112.6
1023	P	32.3	Very low	38.9	Very low	127 Å²	127	141.5 Å²	141.5	83%	0.825	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-75	166.8	166.9	34	-34.9	0	0	0	111.7
1024	S	33.6	Very low	37.2	Very low	118 Å²	118	140 Å²	140	83%	0.825	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-75.6	151.9	-175.5	54.7	0	0	0	0	114.8
1025	E	36.8	Very low	36.3	Very low	178 Å²	178	139.6 Å²	139.6	83%	0.832	75%	0.753	S	S	*	*			trans	-43.9	161.2	155.5	-96.4	-178.9	-135.2	0	0	114.1
1026	P	39.2	Very low	35.2	Very low	114 Å²	114	139.5 Å²	139.5	74%	0.74	76%	0.763	S	S	*	*			cis	-149.3	176.8	43.5	43.7	-24	0	0	0	120.3
1027	D	27.9	Very low	34.2	Very low	146 Å²	146	143.3 Å²	143.3	78%	0.781	78%	0.776	S	S	*	*			trans	98.2	144.4	138.8	-140.4	0.3	0	0	0	121.1
1028	V	26.5	Very low	33.4	Very low	117 Å²	117	143.6 Å²	143.6	71%	0.709	77%	0.772	S	S	*	*			trans	66.2	86.8	167.6	-159.2	0	0	0	0	120.3
1029	D	32.3	Very low	32.5	Very low	132 Å²	132	143.1 Å²	143.1	71%	0.706	77%	0.77	S	S	*	*				43	109	109.3	-155.3	39.1	0	0	0	120.3
1030	Y	30.2	Very low	31.8	Very low	205 Å²	205	138.7 Å²	138.7	80%	0.804	76%	0.763	S	S	*	*				-176.6	163.5	119.5	-120.4	-105.3	0	0	0	115.6
1031	E	29.9	Very low	31.9	Very low	153 Å²	153	140.4 Å²	140.4	72%	0.715	76%	0.762	S	S	*	*			trans	-58.5	150.5	179	-51.7	-91.1	76.1	0	0	115.8
1032	D	32	Very low	31.5	Very low	152 Å²	152	141.6 Å²	141.6	81%	0.813	76%	0.764	S	S	*	*				170.6	103.1	105	-101.4	-20.6	0	0	0	113.8
1033	D	32.6	Very low	31.2	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	76%	0.762	S	S	*	*				42.8	170.4	122	-154.1	20.7	0	0	0	124.6
1034	I	29.1	Very low	31.1	Very low	127 Å²	127	141.9 Å²	141.9	65%	0.651	76%	0.76	S	S	*	*			trans	96.7	87.3	156.1	-59.2	-177.2	0	0	0	119.4
1035	T	30.8	Very low	30.9	Very low	117 Å²	117	145.8 Å²	145.8	72%	0.718	77%	0.765	S	S	*	*			trans	66.9	136.1	138.1	64.8	0	0	0	0	121.1
1036	C	30.7	Very low	31	Very low	111 Å²	111	146.5 Å²	146.5	75%	0.75	77%	0.769	S	S	*	*			cis	102.6	111.5	22	-69.3	0	0	0	0	115.9
1037	L	28.6	Very low	30.6	Very low	169 Å²	169	148.1 Å²	148.1	89%	0.885	77%	0.771	S	S	*	*			trans	-141.9	124.6	131.2	-67.2	-179.6	0	0	0	104.5
1038	R	31.6	Very low	30.6	Very low	191 Å²	191	145.5 Å²	145.5	72%	0.721	76%	0.764	S	S	*	*				55.4	129.2	56.5	-68.4	-179.6	67.5	137.7	3.8	111.3
1039	E	30.9	Very low	30.7	Very low	142 Å²	142	147 Å²	147	66%	0.664	77%	0.768	S	S	*	*			cis	-165.2	179.2	8	-126.3	160.6	170.5	0	0	108.2
1040	S	29.1	Very low	30.4	Very low	99 Å²	99	145.9 Å²	145.9	69%	0.692	77%	0.77	S	S	*	*			cis	-158.7	146.2	10.9	49.5	0	0	0	0	112.7
1041	D	35.3	Very low	30.3	Very low	149 Å²	149	141.6 Å²	141.6	80%	0.797	77%	0.765	S	S	*	*			trans	-85.1	173.1	157.3	-67.2	-67.8	0	0	0	112.3
1042	N	27	Very low	30.2	Very low	162 Å²	162	142.3 Å²	142.3	87%	0.866	77%	0.768	S	S	*	*			trans	-158.4	133	146	-97.6	-42.8	0	0	0	108.4
1043	S	29.4	Very low	30	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	77%	0.77	S	S	*	*			cis	-154.5	152.1	-0.3	53.2	0	0	0	0	111
1044	N	29.8	Very low	30	Very low	147 Å²	147	141.1 Å²	141.1	79%	0.786	77%	0.767	S	S	*	*			trans	-62.9	164.3	178.2	-56.1	-6	0	0	0	112.9
1045	E	28.6	Very low	29.9	Very low	201 Å²	201	142.8 Å²	142.8	94%	0.939	78%	0.777	S	S	*	*				-149.8	131.4	96.1	-70.2	-145.8	136.2	0	0	110.4
1046	E	39.7	Very low	30	Very low	193 Å²	193	147.5 Å²	147.5	90%	0.902	78%	0.781	S	S	*	*			trans	-110.7	154.2	159	-69	-166.9	117.8	0	0	107.7
1047	D	31.2	Very low	30	Very low	147 Å²	147	150.1 Å²	150.1	79%	0.786	79%	0.787	S	S	*	*				-169.6	170.2	126.3	-139.8	-32.4	0	0	0	113.6
1048	S	28.3	Very low	30	Very low	91 Å²	91	147.2 Å²	147.2	64%	0.636	78%	0.781	S	S	*	*			trans	87.1	65.5	147.2	-69.8	0	0	0	0	120.7
1049	L	27	Very low	30.3	Very low	150 Å²	150	147.9 Å²	147.9	79%	0.785	79%	0.792	S	S	*	*				66.8	147.7	108.5	-69.2	167	0	0	0	123.2
1050	S	27.5	Very low	30.1	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	79%	0.792	S	S	*	*			trans	92.2	144.7	155.1	79.7	0	0	0	0	119.3
1051	T	28	Very low	30.4	Very low	114 Å²	114	144 Å²	144	70%	0.699	79%	0.791	S	S	*	*				-175.4	148.6	-62.6	31.4	0	0	0	0	109.1
1052	H	27.2	Very low	30.3	Very low	168 Å²	168	148.9 Å²	148.9	78%	0.778	80%	0.798	S	S	*	*			trans	64.4	104.2	169.8	-61.8	-71.9	0	0	0	119
1053	S	27.8	Very low	30.6	Very low	122 Å²	122	147.2 Å²	147.2	85%	0.853	79%	0.789	S	S	*	*				-138.9	123.1	114.4	-168.5	0	0	0	0	108
1054	E	33	Very low	30.8	Very low	154 Å²	154	153.5 Å²	153.5	72%	0.72	80%	0.797	S	S	*	*			trans	-80.9	145.2	167.2	-66.8	-176.8	93.1	0	0	109.3
1055	D	26.9	Very low	31.1	Very low	162 Å²	162	151.5 Å²	151.5	87%	0.866	79%	0.79	S	S	*	*			trans	-151.3	138.9	145.8	-133.5	-29.8	0	0	0	110.7
1056	R	33.3	Very low	31.6	Very low	216 Å²	216	147.4 Å²	147.4	82%	0.815	77%	0.771	S	S	*	*			trans	-111.6	102	-165.7	-68.8	177.4	66.3	-175.5	3.3	111.9
1057	L	29.1	Very low	31.6	Very low	166 Å²	166	143.1 Å²	143.1	87%	0.869	76%	0.76	S	S	*	*			trans	-132.1	100.1	170.3	-73.1	177.9	0	0	0	114.2
1058	S	29.1	Very low	32.3	Very low	107 Å²	107	142.2 Å²	142.2	75%	0.748	75%	0.749	S	S	*	*			trans	55.3	89.1	147.7	-170.8	0	0	0	0	119.2	G1060	S1058-G1060 PolarHBondContact O-N 3.35Å; S1058-G1060 VanDerWaalsContact O-N 3.13Å
1059	E	37.8	Very low	32.9	Very low	206 Å²	206	143.9 Å²	143.9	96%	0.963	75%	0.751	S	S	*	*			trans	-58	113.2	148.7	-72	-177.6	98.6	0	0	109.9
1060	G	27.5	Very low	33.6	Very low	64 Å²	64	141.9 Å²	141.9	66%	0.66	75%	0.745	S	S	*	*			trans	-119.3	72.8	-166.9	0	0	0	0	0	114.7	S1058	S1058-G1060 PolarHBondContact O-N 3.35Å; S1058-G1060 VanDerWaalsContact O-N 3.13Å
1061	S	35	Very low	34.8	Very low	96 Å²	96	143.2 Å²	143.2	67%	0.671	74%	0.739	S	S	*	*			trans	57.9	73.1	161.5	-155.8	0	0	0	0	117.2	D1063	S1061-D1063 VanDerWaalsContact C-N 3.28Å; S1061-D1063 PolarHBondContact O-N 3Å
1062	W	33.2	Very low	36.1	Very low	250 Å²	250	143.9 Å²	143.9	95%	0.947	74%	0.743	S	S	*	*			trans	-66.2	92.2	147.8	-72.6	100.8	0	0	0	108.8	R1064	W1062-R1064 PolarHBondContact O-N 3.3Å
1063	D	34.3	Very low	38.1	Very low	127 Å²	127	137.8 Å²	137.8	68%	0.679	72%	0.718	S	S	*	*			trans	-61.2	109.8	164.1	-89.2	-38.6	0	0	0	107.6	S1061 V1065	S1061-D1063 VanDerWaalsContact C-N 3.28Å; S1061-D1063 PolarHBondContact O-N 3Å; D1063-V1065 PolarHBondContact O-N 3.4Å
1064	R	31.9	Very low	40.2	Very low	234 Å²	234	142 Å²	142	88%	0.883	72%	0.715	S	S	*	*			trans	-69.9	103.8	-179.9	-62.9	172.9	76.9	173.4	6.5	107.6	W1062 E1066	W1062-R1064 PolarHBondContact O-N 3.3Å; R1064-E1066 PolarHBondContact O-N 3.01Å; R1064-E1066 VanDerWaalsContact O-N 3.11Å
1065	V	36.1	Very low	42.6	Very low	105 Å²	105	140.2 Å²	140.2	64%	0.636	70%	0.702	S	S	*	*			trans	-45.8	119.1	173.7	180	0	0	0	0	108.9	D1063 D1069	D1063-V1065 PolarHBondContact O-N 3.4Å; V1065-D1069 HydrophobicContact CG1-CB 3.94Å
1066	E	40.2	Very low	45.4	Very low	116 Å²	116	134.3 Å²	134.3	54%	0.542	67%	0.671	S	S	.	*			trans	-67.9	138	177.5	-78.1	-161.1	-172.6	0	0	108.1	R1064 K1068 D1069	R1064-E1066 PolarHBondContact O-N 3.01Å; R1064-E1066 VanDerWaalsContact O-N 3.11Å; E1066-K1068 PolarHBondContact O-N 3.16Å; E1066-K1068 IonicContact OE2-NZ 2.69Å; E1066-D1069 PolarHBondContact O-N 3.18Å
1067	P	40.1	Very low	47.7	Very low	102 Å²	102	126.1 Å²	126.1	66%	0.662	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-52.7	-27	-176.9	-30.3	36.1	0	0	0	114.7	D1069 T1070	P1067-D1069 VanDerWaalsContact C-N 3.25Å; P1067-D1069 PolarHBondContact O-N 3.07Å; P1067-T1070 PolarHBondContact O-N 3.06Å; P1067-T1070 VanDerWaalsContact O-N 3.1Å; P1067-T1070 PolarHBondContact O-OG1 3.3Å
1068	K	44.4	Very low	49.8	Very low	129 Å²	129	121.2 Å²	121.2	56%	0.561	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-57	-32.3	176.1	-68.4	174.4	-177.2	161.2	0	113.9	E1066 T1070 E1071	E1066-K1068 PolarHBondContact O-N 3.16Å; E1066-K1068 IonicContact OE2-NZ 2.69Å; K1068-T1070 PolarHBondContact O-N 3.12Å; K1068-E1071 PolarHBondContact O-N 2.9Å; K1068-E1071 VanDerWaalsContact O-N 3.14Å
1069	D	42	Very low	52	Low	125 Å²	125	123.7 Å²	123.7	67%	0.668	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-69.8	-3.9	-179.9	-58.7	-28	0	0	0	112.4	V1065 E1066 P1067	V1065-D1069 HydrophobicContact CG1-CB 3.94Å; E1066-D1069 PolarHBondContact O-N 3.18Å; P1067-D1069 VanDerWaalsContact C-N 3.25Å; P1067-D1069 PolarHBondContact O-N 3.07Å
1070	T	42	Very low	53.7	Low	109 Å²	109	120.1 Å²	120.1	67%	0.669	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-119.1	-1.3	175.4	64.1	0	0	0	0	114.3	P1067 K1068 V1072	P1067-T1070 PolarHBondContact O-N 3.06Å; P1067-T1070 VanDerWaalsContact O-N 3.1Å; P1067-T1070 PolarHBondContact O-OG1 3.3Å; K1068-T1070 PolarHBondContact O-N 3.12Å; T1070-V1072 PolarHBondContact O-N 3.31Å
1071	E	51.6	Low	56.4	Low	136 Å²	136	117.5 Å²	117.5	64%	0.636	58%	0.577	S	S	*	*			trans	-82	114.9	179.1	-71.7	-158.9	117.5	0	0	112.1	K1068 T1073	K1068-E1071 PolarHBondContact O-N 2.9Å; K1068-E1071 VanDerWaalsContact O-N 3.14Å; E1071-T1073 PolarHBondContact O-N 3.04Å
1072	V	56	Low	58.9	Low	128 Å²	128	116 Å²	116	78%	0.776	57%	0.567	S	S	*	*			trans	-70.7	123.6	173.4	179.6	0	0	0	0	110.3	T1070 R1074	T1070-V1072 PolarHBondContact O-N 3.31Å; V1072-R1074 PolarHBondContact O-N 3.47Å
1073	T	69.4	Low	61.8	Low	40 Å²	40	107.3 Å²	107.3	25%	0.245	54%	0.536	C	S	.	.			trans	-52	102.6	175	-52	0	0	0	0	111.9	E1071 W1075 N1102 G1104 Q1121	E1071-T1073 PolarHBondContact O-N 3.04Å; T1073-W1075 PolarHBondContact O-N 3.47Å; T1073-N1102 WeakPolarHBondContact CG2-O 3.18Å; T1073-N1102 PolarHBondContact OG1-O 3.24Å; T1073-G1104 VanDerWaalsContact CG2-N 3.33Å; T1073-Q1121 PolarHBondContact OG1-NE2 3.07Å; T1073-Q1121 VanDerWaalsContact OG1-NE2 3.1Å; T1073-Q1121 PolarHBondContact OG1-OE1 3.2Å; T1073-Q1121 VanDerWaalsContact OG1-OE1 3.1Å
1074	R	72.1	Confident	64.5	Low	211 Å²	211	101.2 Å²	101.2	80%	0.796	50%	0.504	S	S	*	.			trans	-68.6	114.4	177.7	-67.6	-176.6	-179.4	136.2	4.2	110.2	V1072 G1104	V1072-R1074 PolarHBondContact O-N 3.47Å; R1074-G1104 WeakPolarHBondContact O-CA 3.21Å
1075	W	83.5	Confident	67.4	Low	116 Å²	116	96.4 Å²	96.4	44%	0.439	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-84.6	131.7	-177.8	-162.6	-91.6	0	0	0	111.7	T1073 P1077 H1099	T1073-W1075 PolarHBondContact O-N 3.47Å; W1075-P1077 WeakPolarHBondContact O-CD 3.42Å; W1075-H1099 AromaticContact CE2-CD2 3.4Å; W1075-H1099 AromaticContact CE2-CG 3.63Å; W1075-H1099 AromaticContact CE2-NE2 3.96Å; W1075-H1099 HydrophobicContact CH2-CB 3.38Å; W1075-H1099 AromaticContact CH2-CG 3.95Å; W1075-H1099 HydrophobicContact CZ2-CB 3.23Å; W1075-H1099 AromaticContact CZ2-CD2 3.55Å; W1075-H1099 AromaticContact CZ2-CG 3.23Å; W1075-H1099 AromaticContact CZ2-ND1 3.79Å; W1075-H1099 HydrophobicContact CZ3-CB 4.21Å; W1075-H1099 AromaticContact NE1-CD2 3.29Å; W1075-H1099 PolarHBondContact NE1-CD2 3.35Å; W1075-H1099 VanDerWaalsContact NE1-CD2 3.29Å; W1075-H1099 AromaticContact NE1-CG 3.88Å; W1075-H1099 AromaticContact NE1-NE2 3.41Å; W1075-H1099 PolarHBondContact NE1-NE2 3.22Å
1076	V	84.1	Confident	70	Confident	37 Å²	37	95.6 Å²	95.6	22%	0.224	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-93.5	118.9	178.5	-179.9	0	0	0	0	110.3	M1080 A1081 H1099 G1104 N1105 V1106	V1076-M1080 HydrophobicContact CG1-CB 4.41Å; V1076-A1081 HydrophobicContact CG1-CB 4.41Å; V1076-H1099 PolarHBondContact O-CD2 3.2Å; V1076-H1099 PolarHBondContact O-NE2 3.44Å; V1076-G1104 PolarHBondContact N-O 3.14Å; V1076-N1105 WeakPolarHBondContact CG2-OD1 3.47Å; V1076-V1106 HydrophobicContact CB-CG2 3.99Å; V1076-V1106 HydrophobicContact CG1-CG2 3.97Å
1077	P	81.5	Confident	72.4	Confident	45 Å²	45	93.2 Å²	93.2	29%	0.292	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-62.4	141.1	173.5	-23.1	35.1	0	0	0	112.5	W1075 H1079 M1080 A1081	W1075-P1077 WeakPolarHBondContact O-CD 3.42Å; P1077-H1079 PolarHBondContact O-N 2.82Å; P1077-H1079 VanDerWaalsContact O-N 3.12Å; P1077-M1080 HydrophobicContact CG-CE 4.01Å; P1077-M1080 PolarHBondContact O-N 3.36Å; P1077-A1081 PolarHBondContact O-N 3.4Å
1078	D	73.5	Confident	74.8	Confident	62 Å²	62	94.2 Å²	94.2	33%	0.332	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-55.2	-34.5	-174.9	-75.3	-65.8	0	0	0	114.5	M1080 A1081 R1097 H1099	D1078-M1080 VanDerWaalsContact C-N 3.32Å; D1078-M1080 PolarHBondContact O-N 2.91Å; D1078-A1081 PolarHBondContact O-N 3.19Å; D1078-A1081 VanDerWaalsContact O-O 3.13Å; D1078-R1097 PolarHBondContact O-NE 2.94Å; D1078-R1097 VanDerWaalsContact OD1-CB 3.26Å; D1078-R1097 WeakPolarHBondContact OD1-CB 3.42Å; D1078-R1097 WeakPolarHBondContact OD1-CD 3.47Å; D1078-H1099 IonicContact OD1-CE1 2.68Å; D1078-H1099 PolarHBondContact OD1-CE1 2.74Å; D1078-H1099 IonicContact OD1-NE2 2.77Å; D1078-H1099 IonicContact OD2-CE1 3.65Å; D1078-H1099 PolarHBondContact OD2-CE1 2.82Å; D1078-H1099 IonicContact OD2-NE2 3.39Å
1079	H	75	Confident	76.9	Confident	159 Å²	159	89.4 Å²	89.4	74%	0.736	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-72	-23.1	179.9	62.7	-104.2	0	0	0	113.3	P1077 A1081	P1077-H1079 PolarHBondContact O-N 2.82Å; P1077-H1079 VanDerWaalsContact O-N 3.12Å; H1079-A1081 VanDerWaalsContact C-N 3.34Å
1080	M	74.8	Confident	79.1	Confident	131 Å²	131	89.5 Å²	89.5	65%	0.645	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-82.8	-14.7	172.6	-64.7	-149.7	-74.8	0	0	112.3	V1076 P1077 D1078	V1076-M1080 HydrophobicContact CG1-CB 4.41Å; P1077-M1080 HydrophobicContact CG-CE 4.01Å; P1077-M1080 PolarHBondContact O-N 3.36Å; D1078-M1080 VanDerWaalsContact C-N 3.32Å; D1078-M1080 PolarHBondContact O-N 2.91Å
1081	A	84.4	Confident	81.4	Confident	9 Å²	9	84.8 Å²	84.8	7%	0.074	43%	0.426	C	S	.	.			trans	-97.4	90.8	173.9	0	0	0	0	0	110.9	V1076 P1077 D1078 H1079 F1091 R1097 V1106	V1076-A1081 HydrophobicContact CG1-CB 4.41Å; P1077-A1081 PolarHBondContact O-N 3.4Å; D1078-A1081 PolarHBondContact O-N 3.19Å; D1078-A1081 VanDerWaalsContact O-O 3.13Å; H1079-A1081 VanDerWaalsContact C-N 3.34Å; A1081-F1091 HydrophobicContact CB-CE2 4.28Å; A1081-F1091 WeakPolarHBondContact O-CD2 3.23Å; A1081-R1097 VanDerWaalsContact O-CZ 3.27Å; A1081-R1097 PolarHBondContact O-NE 3.05Å; A1081-R1097 PolarHBondContact O-NH2 3.06Å; A1081-V1106 HydrophobicContact CB-CB 3.53Å; A1081-V1106 HydrophobicContact CB-CG1 3.96Å; A1081-V1106 HydrophobicContact CB-CG2 3.49Å; A1081-V1106 VanDerWaalsContact CB-CG2 3.49Å
1082	S	86.6	Confident	83	Confident	66 Å²	66	87.1 Å²	87.1	46%	0.462	43%	0.429	S	S	.	.	S	Bend	trans	-76.8	-28.3	168.8	52.1	0	0	0	0	112.7	F1091	S1082-F1091 PolarHBondContact O-N 3.46Å
1083	H	93.5	Very high	83.9	Confident	66 Å²	66	89.4 Å²	89.4	31%	0.306	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-131.9	155.4	-175.4	-61.2	69.2	0	0	0	111.8	F1085 D1088 C1089 F1091	H1083-F1085 PolarHBondContact O-N 2.95Å; H1083-D1088 VanDerWaalsContact CB-OD1 3.28Å; H1083-D1088 WeakPolarHBondContact CB-OD1 3.28Å; H1083-D1088 PolarHBondContact CD2-O 3.09Å; H1083-D1088 IonicContact CG-OD1 3.94Å; H1083-C1089 CarbonylContact C-O 3.54Å; H1083-C1089 WeakPolarHBondContact CA-O 3.42Å; H1083-F1091 WeakPolarHBondContact O-CE2 3.41Å
1084	C	92.1	Very high	84.2	Confident	0 Å²	0	91.7 Å²	91.7	0%	0	46%	0.458	C	S	.	.			trans	-67.9	121.5	178.8	172.9	0	0	0	0	111.9	N1086 C1087 D1088 C1089 F1091 C1108	C1084-N1086 PolarHBondContact O-N 3.37Å; C1084-C1087 PolarHBondContact O-N 3.36Å; C1084-C1087 PolarHBondContact SG-SG 3.41Å; C1084-D1088 VanDerWaalsContact O-CA 3.27Å; C1084-D1088 WeakPolarHBondContact O-CA 3.43Å; C1084-D1088 PolarHBondContact O-N 2.78Å; C1084-C1089 VanDerWaalsContact CB-SG 3.51Å; C1084-C1089 PolarHBondContact N-O 3.14Å; C1084-F1091 HydrophobicContact CB-CE1 4.24Å; C1084-F1091 HydrophobicContact CB-CE2 4.33Å; C1084-F1091 HydrophobicContact CB-CZ 3.83Å; C1084-C1108 HydrophobicContact CB-CB 4.31Å; C1084-C1108 PolarHBondContact SG-N 3.32Å
1085	F	93.3	Very high	84.6	Confident	133 Å²	133	84.9 Å²	84.9	58%	0.583	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.2	-174.6	-170.7	-89.2	0	0	0	115.5	H1083 N1105 V1106 F1107	H1083-F1085 PolarHBondContact O-N 2.95Å; F1085-N1105 HydrophobicContact CB-CB 4.06Å; F1085-N1105 HydrophobicContact CD1-CB 3.91Å; F1085-N1105 HydrophobicContact CD2-CB 3.98Å; F1085-N1105 WeakPolarHBondContact CD2-OD1 3.3Å; F1085-N1105 HydrophobicContact CE1-CB 4.35Å; F1085-N1105 HydrophobicContact CE2-CB 4.41Å; F1085-N1105 VanDerWaalsContact CE2-OD1 3.31Å; F1085-N1105 WeakPolarHBondContact CE2-OD1 3.49Å; F1085-N1105 HydrophobicContact CG-CB 3.71Å; F1085-V1106 VanDerWaalsContact CB-O 3.29Å; F1085-V1106 WeakPolarHBondContact CB-O 3.16Å; F1085-V1106 PolarHBondContact N-O 2.66Å; F1085-F1107 HydrophobicContact CB-CD1 4.13Å; F1085-F1107 HydrophobicContact CB-CE1 3.76Å; F1085-F1107 HydrophobicContact CB-CZ 4.08Å; F1085-F1107 AromaticContact CD1-CE1 3.8Å; F1085-F1107 HydrophobicContact CD1-CE1 3.8Å; F1085-F1107 AromaticContact CD1-CZ 3.8Å; F1085-F1107 HydrophobicContact CD1-CZ 3.8Å; F1085-F1107 HydrophobicContact CG-CE1 4.25Å; F1085-F1107 HydrophobicContact CG-CZ 4.29Å
1086	N	90.9	Very high	84.6	Confident	88 Å²	88	89 Å²	89	47%	0.471	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-36.5	178.5	-173.2	72.6	0	0	0	115	C1084 F1107 C1111	C1084-N1086 PolarHBondContact O-N 3.37Å; N1086-F1107 HydrophobicContact CB-CD1 3.72Å; N1086-F1107 HydrophobicContact CB-CE1 3.79Å; N1086-C1111 HydrophobicContact CB-CB 4.01Å; N1086-C1111 PolarHBondContact ND2-SG 2.84Å; N1086-C1111 VanDerWaalsContact ND2-SG 3.41Å
1087	C	89.8	Confident	84.9	Confident	65 Å²	65	91.2 Å²	91.2	44%	0.439	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	9.9	-173.2	66.7	0	0	0	0	114	C1084 C1089	C1084-C1087 PolarHBondContact O-N 3.36Å; C1084-C1087 PolarHBondContact SG-SG 3.41Å; C1087-C1089 PolarHBondContact O-N 2.85Å
1088	D	90.4	Very high	85.4	Confident	124 Å²	124	91.5 Å²	91.5	66%	0.663	45%	0.451	S	S	*	.			trans	49	25.5	175.7	-148.5	29.1	0	0	0	115.2	H1083 C1084	H1083-D1088 VanDerWaalsContact CB-OD1 3.28Å; H1083-D1088 WeakPolarHBondContact CB-OD1 3.28Å; H1083-D1088 PolarHBondContact CD2-O 3.09Å; H1083-D1088 IonicContact CG-OD1 3.94Å; C1084-D1088 VanDerWaalsContact O-CA 3.27Å; C1084-D1088 WeakPolarHBondContact O-CA 3.43Å; C1084-D1088 PolarHBondContact O-N 2.78Å
1089	C	88.1	Confident	86.4	Confident	28 Å²	28	89.4 Å²	89.4	19%	0.189	44%	0.44	C	S	.	.			trans	-80.7	135.6	175.4	70.9	0	0	0	0	110.9	H1083 C1084 C1087 K1095	H1083-C1089 CarbonylContact C-O 3.54Å; H1083-C1089 WeakPolarHBondContact CA-O 3.42Å; C1084-C1089 VanDerWaalsContact CB-SG 3.51Å; C1084-C1089 PolarHBondContact N-O 3.14Å; C1087-C1089 PolarHBondContact O-N 2.85Å; C1089-K1095 VanDerWaalsContact SG-CE 3.5Å; C1089-K1095 PolarHBondContact SG-NZ 2.92Å
1090	E	89.4	Confident	87.3	Confident	126 Å²	126	81.9 Å²	81.9	59%	0.589	41%	0.405	S	S	*	.	B	Isolated β-bridge	trans	-63.9	146.8	-179.3	-166.6	168.7	-151.2	0	0	113.3
1091	F	90.4	Very high	88	Confident	10 Å²	10	80 Å²	80	4%	0.044	39%	0.39	C	S	.	.			trans	-106.1	81.2	-178.6	-70.1	-59.9	0	0	0	113	A1081 S1082 H1083 C1084 R1097 V1106 F1107 C1108	A1081-F1091 HydrophobicContact CB-CE2 4.28Å; A1081-F1091 WeakPolarHBondContact O-CD2 3.23Å; S1082-F1091 PolarHBondContact O-N 3.46Å; H1083-F1091 WeakPolarHBondContact O-CE2 3.41Å; C1084-F1091 HydrophobicContact CB-CE1 4.24Å; C1084-F1091 HydrophobicContact CB-CE2 4.33Å; C1084-F1091 HydrophobicContact CB-CZ 3.83Å; F1091-R1097 HydrophobicContact CB-CG 4.09Å; F1091-R1097 HydrophobicContact CD1-CG 3.85Å; F1091-R1097 HydrophobicContact CD2-CG 3.82Å; F1091-R1097 HydrophobicContact CE1-CG 4.07Å; F1091-R1097 HydrophobicContact CE2-CG 4.03Å; F1091-R1097 HydrophobicContact CG-CG 3.72Å; F1091-R1097 HydrophobicContact CZ-CG 4.15Å; F1091-R1097 PolarHBondContact O-NH1 3.33Å; F1091-R1097 VanDerWaalsContact O-NH1 3.11Å; F1091-R1097 PolarHBondContact O-NH2 3.34Å; F1091-V1106 HydrophobicContact CE2-CB 4.3Å; F1091-V1106 HydrophobicContact CE2-CG1 3.81Å; F1091-V1106 HydrophobicContact CZ-CG1 3.88Å; F1091-F1107 WeakPolarHBondContact CE1-O 3.35Å; F1091-F1107 WeakPolarHBondContact CZ-O 3.5Å; F1091-C1108 HydrophobicContact CE1-CB 4.16Å
1092	W	83.5	Confident	88.2	Confident	185 Å²	185	81.4 Å²	81.4	70%	0.701	40%	0.396	S	S	*	.			trans	-87.7	179.7	169.6	66.8	0.7	0	0	0	113.6	A1094 K1095	W1092-A1094 VanDerWaalsContact C-N 3.25Å; W1092-A1094 PolarHBondContact O-N 2.86Å; W1092-A1094 VanDerWaalsContact O-N 3.1Å; W1092-K1095 CarbonylContact O-C 3.41Å; W1092-K1095 PolarHBondContact O-N 3.5Å
1093	I	76.3	Confident	88.3	Confident	176 Å²	176	79.9 Å²	79.9	90%	0.903	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-38.7	-173.6	-62.7	171	0	0	0	113.3
1094	A	74.4	Confident	88.1	Confident	88 Å²	88	76.8 Å²	76.8	73%	0.727	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-11.5	-179.5	0	0	0	0	0	114.6	W1092	W1092-A1094 VanDerWaalsContact C-N 3.25Å; W1092-A1094 PolarHBondContact O-N 2.86Å; W1092-A1094 VanDerWaalsContact O-N 3.1Å
1095	K	81.6	Confident	88.2	Confident	69 Å²	69	78.3 Å²	78.3	30%	0.3	38%	0.38	S	S	.	.	S	Bend	trans	-119.9	88.9	-175	-160.2	171.1	-162.2	174.1	0	110.3	C1089 W1092	C1089-K1095 VanDerWaalsContact SG-CE 3.5Å; C1089-K1095 PolarHBondContact SG-NZ 2.92Å; W1092-K1095 CarbonylContact O-C 3.41Å; W1092-K1095 PolarHBondContact O-N 3.5Å
1096	R	83.5	Confident	88.3	Confident	203 Å²	203	72.1 Å²	72.1	77%	0.766	35%	0.352	S	S	*	.			trans	-63.5	151.4	-175	-62.6	-173.9	-178.4	-175.8	1.1	112.5	H1098	R1096-H1098 PolarHBondContact O-CD2 2.95Å; R1096-H1098 VanDerWaalsContact O-CD2 3.22Å
1097	R	89.9	Confident	88.5	Confident	82 Å²	82	68.1 Å²	68.1	31%	0.309	33%	0.331	S	S	.	.			trans	-86.7	142.3	177.5	-72.3	173.3	176	72.2	2.2	110.5	D1078 A1081 F1091 V1106	D1078-R1097 PolarHBondContact O-NE 2.94Å; D1078-R1097 VanDerWaalsContact OD1-CB 3.26Å; D1078-R1097 WeakPolarHBondContact OD1-CB 3.42Å; D1078-R1097 WeakPolarHBondContact OD1-CD 3.47Å; A1081-R1097 VanDerWaalsContact O-CZ 3.27Å; A1081-R1097 PolarHBondContact O-NE 3.05Å; A1081-R1097 PolarHBondContact O-NH2 3.06Å; F1091-R1097 HydrophobicContact CB-CG 4.09Å; F1091-R1097 HydrophobicContact CD1-CG 3.85Å; F1091-R1097 HydrophobicContact CD2-CG 3.82Å; F1091-R1097 HydrophobicContact CE1-CG 4.07Å; F1091-R1097 HydrophobicContact CE2-CG 4.03Å; F1091-R1097 HydrophobicContact CG-CG 3.72Å; F1091-R1097 HydrophobicContact CZ-CG 4.15Å; F1091-R1097 PolarHBondContact O-NH1 3.33Å; F1091-R1097 VanDerWaalsContact O-NH1 3.11Å; F1091-R1097 PolarHBondContact O-NH2 3.34Å; R1097-V1106 HydrophobicContact CB-CG1 3.55Å; R1097-V1106 HydrophobicContact CG-CG1 3.79Å
1098	H	92.1	Very high	88.7	Confident	51 Å²	51	65.1 Å²	65.1	24%	0.236	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	110.6	-178	-61.7	-97.4	0	0	0	111.2	R1096 F1107 K1109 C1112 L1128	R1096-H1098 PolarHBondContact O-CD2 2.95Å; R1096-H1098 VanDerWaalsContact O-CD2 3.22Å; H1098-F1107 WeakPolarHBondContact CB-O 3.43Å; H1098-F1107 PolarHBondContact N-O 3.37Å; H1098-F1107 PolarHBondContact O-N 3.14Å; H1098-K1109 PolarHBondContact CD2-N 2.98Å; H1098-K1109 VanDerWaalsContact CD2-N 3.32Å; H1098-C1112 HydrophobicContact CB-CB 4.2Å; H1098-L1128 HydrophobicContact CB-CD2 4.1Å
1099	H	94	Very high	88.8	Confident	19 Å²	19	65.7 Å²	65.7	9%	0.088	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.9	176.7	-54.3	79	0	0	0	113.4	W1075 V1076 D1078 R1101 N1105	W1075-H1099 AromaticContact CE2-CD2 3.4Å; W1075-H1099 AromaticContact CE2-CG 3.63Å; W1075-H1099 AromaticContact CE2-NE2 3.96Å; W1075-H1099 HydrophobicContact CH2-CB 3.38Å; W1075-H1099 AromaticContact CH2-CG 3.95Å; W1075-H1099 HydrophobicContact CZ2-CB 3.23Å; W1075-H1099 AromaticContact CZ2-CD2 3.55Å; W1075-H1099 AromaticContact CZ2-CG 3.23Å; W1075-H1099 AromaticContact CZ2-ND1 3.79Å; W1075-H1099 HydrophobicContact CZ3-CB 4.21Å; W1075-H1099 AromaticContact NE1-CD2 3.29Å; W1075-H1099 PolarHBondContact NE1-CD2 3.35Å; W1075-H1099 VanDerWaalsContact NE1-CD2 3.29Å; W1075-H1099 AromaticContact NE1-CG 3.88Å; W1075-H1099 AromaticContact NE1-NE2 3.41Å; W1075-H1099 PolarHBondContact NE1-NE2 3.22Å; V1076-H1099 PolarHBondContact O-CD2 3.2Å; V1076-H1099 PolarHBondContact O-NE2 3.44Å; D1078-H1099 IonicContact OD1-CE1 2.68Å; D1078-H1099 PolarHBondContact OD1-CE1 2.74Å; D1078-H1099 IonicContact OD1-NE2 2.77Å; D1078-H1099 IonicContact OD2-CE1 3.65Å; D1078-H1099 PolarHBondContact OD2-CE1 2.82Å; D1078-H1099 IonicContact OD2-NE2 3.39Å; H1099-R1101 PolarHBondContact O-NH1 2.89Å; H1099-N1105 WeakPolarHBondContact CA-O 3.41Å
1100	C	93.6	Very high	88.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	32%	0.324	C	S	.	.			trans	-72.9	125.1	164.7	175.2	0	0	0	0	110.1	N1102 G1104 N1105 F1107 C1130	C1100-N1102 VanDerWaalsContact C-N 3.29Å; C1100-N1102 PolarHBondContact O-N 3.01Å; C1100-N1102 PolarHBondContact SG-N 3.24Å; C1100-N1102 VanDerWaalsContact SG-N 3.43Å; C1100-G1104 WeakPolarHBondContact O-CA 3.19Å; C1100-G1104 PolarHBondContact O-N 2.73Å; C1100-N1105 PolarHBondContact N-O 3.1Å; C1100-N1105 VanDerWaalsContact N-O 3.12Å; C1100-F1107 HydrophobicContact CB-CD2 3.95Å; C1100-F1107 HydrophobicContact CB-CE2 3.53Å; C1100-C1130 HydrophobicContact CB-CB 3.91Å; C1100-C1130 PolarHBondContact SG-N 2.9Å; C1100-C1130 VanDerWaalsContact SG-SG 3.65Å
1101	R	91.1	Very high	89.1	Confident	92 Å²	92	63.7 Å²	63.7	35%	0.347	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-30.5	178.3	-89.3	64.2	-179.1	154.6	4.9	113.2	H1099 I1118 Q1121 L1123 V1127 L1128	H1099-R1101 PolarHBondContact O-NH1 2.89Å; R1101-I1118 HydrophobicContact CB-CD1 4.1Å; R1101-Q1121 PolarHBondContact O-OE1 3.07Å; R1101-L1123 HydrophobicContact CB-CD1 3.99Å; R1101-L1123 HydrophobicContact CG-CD1 4.13Å; R1101-V1127 HydrophobicContact CB-CB 4.11Å; R1101-V1127 HydrophobicContact CB-CG2 3.89Å; R1101-V1127 HydrophobicContact CG-CB 3.98Å; R1101-V1127 HydrophobicContact CG-CG1 4.48Å; R1101-V1127 HydrophobicContact CG-CG2 4.28Å; R1101-L1128 WeakPolarHBondContact CD-O 3.31Å; R1101-L1128 PolarHBondContact N-O 3.33Å
1102	N	87.6	Confident	89.3	Confident	38 Å²	38	63.2 Å²	63.2	20%	0.203	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-34.2	-177.2	-165.3	70.9	0	0	0	114.2	T1073 C1100 I1118 Q1121 V1129 C1133 L1137	T1073-N1102 WeakPolarHBondContact CG2-O 3.18Å; T1073-N1102 PolarHBondContact OG1-O 3.24Å; C1100-N1102 VanDerWaalsContact C-N 3.29Å; C1100-N1102 PolarHBondContact O-N 3.01Å; C1100-N1102 PolarHBondContact SG-N 3.24Å; C1100-N1102 VanDerWaalsContact SG-N 3.43Å; N1102-I1118 HydrophobicContact CB-CD1 3.77Å; N1102-Q1121 PolarHBondContact O-NE2 2.87Å; N1102-Q1121 PolarHBondContact OD1-NE2 3.31Å; N1102-V1129 HydrophobicContact CB-CG1 4.11Å; N1102-C1133 HydrophobicContact CB-CB 3.84Å; N1102-C1133 PolarHBondContact ND2-SG 3.28Å; N1102-L1137 HydrophobicContact CB-CD1 4.27Å
1103	C	89.7	Confident	89.7	Confident	35 Å²	35	59.1 Å²	59.1	24%	0.236	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	2.7	-173.3	72	0	0	0	0	115.4	N1105 C1133	C1103-N1105 PolarHBondContact O-N 2.87Å; C1103-N1105 PolarHBondContact O-ND2 2.72Å; C1103-C1133 VanDerWaalsContact SG-SG 3.66Å
1104	G	88.9	Confident	90.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.			trans	69.9	-12.5	171.4	0	0	0	0	0	117	T1073 R1074 V1076 C1100	T1073-G1104 VanDerWaalsContact CG2-N 3.33Å; R1074-G1104 WeakPolarHBondContact O-CA 3.21Å; V1076-G1104 PolarHBondContact N-O 3.14Å; C1100-G1104 WeakPolarHBondContact O-CA 3.19Å; C1100-G1104 PolarHBondContact O-N 2.73Å
1105	N	93.8	Very high	91.2	Very high	33 Å²	33	55.4 Å²	55.4	18%	0.176	25%	0.249	C	C	.	.			trans	-72.2	160	178.6	-71	-58.3	0	0	0	113.3	V1076 F1085 H1099 C1100 C1103 F1107	V1076-N1105 WeakPolarHBondContact CG2-OD1 3.47Å; F1085-N1105 HydrophobicContact CB-CB 4.06Å; F1085-N1105 HydrophobicContact CD1-CB 3.91Å; F1085-N1105 HydrophobicContact CD2-CB 3.98Å; F1085-N1105 WeakPolarHBondContact CD2-OD1 3.3Å; F1085-N1105 HydrophobicContact CE1-CB 4.35Å; F1085-N1105 HydrophobicContact CE2-CB 4.41Å; F1085-N1105 VanDerWaalsContact CE2-OD1 3.31Å; F1085-N1105 WeakPolarHBondContact CE2-OD1 3.49Å; F1085-N1105 HydrophobicContact CG-CB 3.71Å; H1099-N1105 WeakPolarHBondContact CA-O 3.41Å; C1100-N1105 PolarHBondContact N-O 3.1Å; C1100-N1105 VanDerWaalsContact N-O 3.12Å; C1103-N1105 PolarHBondContact O-N 2.87Å; C1103-N1105 PolarHBondContact O-ND2 2.72Å; N1105-F1107 VanDerWaalsContact C-CE2 3.48Å; N1105-F1107 HydrophobicContact CB-CE2 3.59Å; N1105-F1107 HydrophobicContact CB-CZ 3.69Å; N1105-F1107 VanDerWaalsContact O-CD2 3.24Å; N1105-F1107 WeakPolarHBondContact O-CD2 2.97Å; N1105-F1107 WeakPolarHBondContact O-CE2 3.19Å
1106	V	94.6	Very high	91.5	Very high	2 Å²	2	53 Å²	53	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.2	-174.9	-165.4	0	0	0	0	111.7	V1076 A1081 F1085 F1091 R1097	V1076-V1106 HydrophobicContact CB-CG2 3.99Å; V1076-V1106 HydrophobicContact CG1-CG2 3.97Å; A1081-V1106 HydrophobicContact CB-CB 3.53Å; A1081-V1106 HydrophobicContact CB-CG1 3.96Å; A1081-V1106 HydrophobicContact CB-CG2 3.49Å; A1081-V1106 VanDerWaalsContact CB-CG2 3.49Å; F1085-V1106 VanDerWaalsContact CB-O 3.29Å; F1085-V1106 WeakPolarHBondContact CB-O 3.16Å; F1085-V1106 PolarHBondContact N-O 2.66Å; F1091-V1106 HydrophobicContact CE2-CB 4.3Å; F1091-V1106 HydrophobicContact CE2-CG1 3.81Å; F1091-V1106 HydrophobicContact CZ-CG1 3.88Å; R1097-V1106 HydrophobicContact CB-CG1 3.55Å; R1097-V1106 HydrophobicContact CG-CG1 3.79Å
1107	F	95.5	Very high	91.5	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	161.6	-173.9	-58.6	-88.5	0	0	0	111.9	F1085 N1086 F1091 H1098 C1100 N1105 C1111 C1112 C1130	F1085-F1107 HydrophobicContact CB-CD1 4.13Å; F1085-F1107 HydrophobicContact CB-CE1 3.76Å; F1085-F1107 HydrophobicContact CB-CZ 4.08Å; F1085-F1107 AromaticContact CD1-CE1 3.8Å; F1085-F1107 HydrophobicContact CD1-CE1 3.8Å; F1085-F1107 AromaticContact CD1-CZ 3.8Å; F1085-F1107 HydrophobicContact CD1-CZ 3.8Å; F1085-F1107 HydrophobicContact CG-CE1 4.25Å; F1085-F1107 HydrophobicContact CG-CZ 4.29Å; N1086-F1107 HydrophobicContact CB-CD1 3.72Å; N1086-F1107 HydrophobicContact CB-CE1 3.79Å; F1091-F1107 WeakPolarHBondContact CE1-O 3.35Å; F1091-F1107 WeakPolarHBondContact CZ-O 3.5Å; H1098-F1107 WeakPolarHBondContact CB-O 3.43Å; H1098-F1107 PolarHBondContact N-O 3.37Å; H1098-F1107 PolarHBondContact O-N 3.14Å; C1100-F1107 HydrophobicContact CB-CD2 3.95Å; C1100-F1107 HydrophobicContact CB-CE2 3.53Å; N1105-F1107 VanDerWaalsContact C-CE2 3.48Å; N1105-F1107 HydrophobicContact CB-CE2 3.59Å; N1105-F1107 HydrophobicContact CB-CZ 3.69Å; N1105-F1107 VanDerWaalsContact O-CD2 3.24Å; N1105-F1107 WeakPolarHBondContact O-CD2 2.97Å; N1105-F1107 WeakPolarHBondContact O-CE2 3.19Å; F1107-C1111 HydrophobicContact CB-CB 4.03Å; F1107-C1111 HydrophobicContact CD1-CB 4.09Å; F1107-C1111 HydrophobicContact CG-CB 4.47Å; F1107-C1112 HydrophobicContact CB-CB 3.46Å; F1107-C1112 VanDerWaalsContact CB-CB 3.46Å; F1107-C1112 HydrophobicContact CD2-CB 4.15Å; F1107-C1112 HydrophobicContact CG-CB 4Å; F1107-C1130 HydrophobicContact CD1-CB 3.99Å; F1107-C1130 HydrophobicContact CD2-CB 3.75Å; F1107-C1130 HydrophobicContact CE1-CB 3.8Å; F1107-C1130 HydrophobicContact CE2-CB 3.56Å; F1107-C1130 HydrophobicContact CG-CB 3.97Å; F1107-C1130 HydrophobicContact CZ-CB 3.6Å; F1107-C1130 VanDerWaalsContact CZ-SG 3.57Å
1108	C	94	Very high	91.3	Very high	2 Å²	2	41 Å²	41	1%	0.014	20%	0.198	C	C	.	.			trans	-75.7	163.2	163.9	74	0	0	0	0	110.2	C1084 F1091 D1110 C1111 C1112	C1084-C1108 HydrophobicContact CB-CB 4.31Å; C1084-C1108 PolarHBondContact SG-N 3.32Å; F1091-C1108 HydrophobicContact CE1-CB 4.16Å; C1108-D1110 PolarHBondContact O-N 3.27Å; C1108-D1110 VanDerWaalsContact O-N 3.16Å; C1108-D1110 PolarHBondContact SG-OD2 3.23Å; C1108-C1111 PolarHBondContact O-N 2.98Å; C1108-C1112 PolarHBondContact O-N 2.98Å; C1108-C1112 VanDerWaalsContact O-N 3.09Å
1109	K	92.6	Very high	90.4	Very high	137 Å²	137	41 Å²	41	60%	0.596	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-44.9	-48.9	177.2	-173.5	-176.9	178.1	-173.9	0	112.1	H1098 C1111 C1112 H1113	H1098-K1109 PolarHBondContact CD2-N 2.98Å; H1098-K1109 VanDerWaalsContact CD2-N 3.32Å; K1109-C1111 VanDerWaalsContact C-N 3.26Å; K1109-C1111 PolarHBondContact O-N 3.25Å; K1109-C1112 CarbonylContact O-C 3.57Å; K1109-C1112 PolarHBondContact O-N 3.19Å; K1109-H1113 VanDerWaalsContact O-CB 3.25Å; K1109-H1113 WeakPolarHBondContact O-CB 3.46Å; K1109-H1113 PolarHBondContact O-N 3.36Å; K1109-H1113 VanDerWaalsContact O-N 3.09Å; K1109-H1113 PolarHBondContact O-ND1 3.46Å
1110	D	91.3	Very high	89.3	Confident	99 Å²	99	46.3 Å²	46.3	53%	0.529	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-67.8	-27	-173.3	-34.2	-68	0	0	0	112.6	C1108 H1113 N1131	C1108-D1110 PolarHBondContact O-N 3.27Å; C1108-D1110 VanDerWaalsContact O-N 3.16Å; C1108-D1110 PolarHBondContact SG-OD2 3.23Å; D1110-H1113 PolarHBondContact O-CE1 2.9Å; D1110-H1113 PolarHBondContact O-ND1 3.37Å; D1110-N1131 PolarHBondContact O-ND2 2.67Å; D1110-N1131 VanDerWaalsContact O-ND2 3.09Å
1111	C	92.8	Very high	88.2	Confident	12 Å²	12	49.6 Å²	49.6	8%	0.081	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-92.2	-8.2	175.5	-66.5	0	0	0	0	113.8	N1086 F1107 C1108 K1109 C1130 N1131	N1086-C1111 HydrophobicContact CB-CB 4.01Å; N1086-C1111 PolarHBondContact ND2-SG 2.84Å; N1086-C1111 VanDerWaalsContact ND2-SG 3.41Å; F1107-C1111 HydrophobicContact CB-CB 4.03Å; F1107-C1111 HydrophobicContact CD1-CB 4.09Å; F1107-C1111 HydrophobicContact CG-CB 4.47Å; C1108-C1111 PolarHBondContact O-N 2.98Å; K1109-C1111 VanDerWaalsContact C-N 3.26Å; K1109-C1111 PolarHBondContact O-N 3.25Å; C1111-C1130 WeakPolarHBondContact O-CA 3.14Å; C1111-C1130 VanDerWaalsContact O-CB 3.3Å; C1111-C1130 WeakPolarHBondContact O-CB 3.19Å; C1111-N1131 PolarHBondContact O-N 2.83Å; C1111-N1131 VanDerWaalsContact O-N 3.14Å; C1111-N1131 PolarHBondContact O-OD1 3.31Å
1112	C	94.5	Very high	87.3	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.007	25%	0.254	C	S	.	.	S	Bend	trans	-155.1	67	-176.5	-172.6	0	0	0	0	111.4	H1098 F1107 C1108 K1109 L1128 C1130	H1098-C1112 HydrophobicContact CB-CB 4.2Å; F1107-C1112 HydrophobicContact CB-CB 3.46Å; F1107-C1112 VanDerWaalsContact CB-CB 3.46Å; F1107-C1112 HydrophobicContact CD2-CB 4.15Å; F1107-C1112 HydrophobicContact CG-CB 4Å; C1108-C1112 PolarHBondContact O-N 2.98Å; C1108-C1112 VanDerWaalsContact O-N 3.09Å; K1109-C1112 CarbonylContact O-C 3.57Å; K1109-C1112 PolarHBondContact O-N 3.19Å; C1112-L1128 WeakPolarHBondContact O-CD2 3.19Å; C1112-C1130 HydrophobicContact CB-CB 4.26Å
1113	H	91.8	Very high	86.9	Confident	99 Å²	99	51.3 Å²	51.3	46%	0.458	26%	0.259	S	S	.	.			trans	-113.8	-16.5	175.4	56.4	-79.4	0	0	0	113.2	K1109 D1110	K1109-H1113 VanDerWaalsContact O-CB 3.25Å; K1109-H1113 WeakPolarHBondContact O-CB 3.46Å; K1109-H1113 PolarHBondContact O-N 3.36Å; K1109-H1113 VanDerWaalsContact O-N 3.09Å; K1109-H1113 PolarHBondContact O-ND1 3.46Å; D1110-H1113 PolarHBondContact O-CE1 2.9Å; D1110-H1113 PolarHBondContact O-ND1 3.37Å
1114	L	91.1	Very high	86.3	Confident	50 Å²	50	56.7 Å²	56.7	26%	0.262	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	152.7	-175.3	-59.4	173.1	0	0	0	111	L1128 V1129 N1131 H1134	L1114-L1128 WeakPolarHBondContact O-CA 3.33Å; L1114-V1129 HydrophobicContact CB-CG2 4.5Å; L1114-V1129 PolarHBondContact O-N 2.85Å; L1114-N1131 HydrophobicContact CD1-CB 4.43Å; L1114-H1134 HydrophobicContact CB-CB 4.36Å; L1114-H1134 HydrophobicContact CD1-CB 4.07Å
1115	K	91.7	Very high	86.1	Confident	135 Å²	135	62.8 Å²	62.8	59%	0.587	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	129.7	-179.2	-70.4	-178.1	174.1	-171.8	0	111.3	P1126 V1127 L1128	K1115-P1126 HydrophobicContact CB-CB 3.87Å; K1115-P1126 WeakPolarHBondContact CD-O 3.26Å; K1115-V1127 VanDerWaalsContact CA-O 3.25Å; K1115-V1127 WeakPolarHBondContact CA-O 3.33Å; K1115-L1128 HydrophobicContact CG-CD1 4.2Å
1116	L	87.6	Confident	85.7	Confident	20 Å²	20	64.9 Å²	64.9	11%	0.105	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148	173	-82.2	172.1	0	0	0	110.4	V1127 V1129 H1134 L1137 L1138	L1116-V1127 PolarHBondContact N-O 3.25Å; L1116-V1127 WeakPolarHBondContact O-CG2 3.35Å; L1116-V1127 PolarHBondContact O-N 3.12Å; L1116-V1129 HydrophobicContact CB-CG2 4.35Å; L1116-H1134 HydrophobicContact CD1-CB 4.26Å; L1116-H1134 WeakPolarHBondContact CD1-CD2 3.44Å; L1116-H1134 WeakPolarHBondContact CD1-O 3.47Å; L1116-L1137 HydrophobicContact CD1-CB 4.35Å; L1116-L1138 HydrophobicContact CD1-CD1 4.34Å; L1116-L1138 HydrophobicContact CD1-CD2 4.26Å; L1116-L1138 HydrophobicContact CD1-CG 3.83Å; L1116-L1138 HydrophobicContact CD2-CD2 4.15Å
1117	P	83.9	Confident	85.6	Confident	31 Å²	31	66.1 Å²	66.1	20%	0.201	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.9	166.9	32.8	-34.6	0	0	0	110	P1119 L1123 Y1124 D1125 R1141	P1117-P1119 WeakPolarHBondContact O-CD 3.33Å; P1117-L1123 CarbonylContact C-O 3.56Å; P1117-L1123 WeakPolarHBondContact CA-O 3.45Å; P1117-Y1124 WeakPolarHBondContact CB-O 3.49Å; P1117-D1125 WeakPolarHBondContact CA-O 3.44Å; P1117-R1141 PolarHBondContact O-NH2 3.2Å
1118	I	85.1	Confident	85.5	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	81.9	-179.3	-43.5	172.2	0	0	0	107.6	R1101 N1102 D1120 Q1121 Q1122 L1123 V1127 V1129 L1137	R1101-I1118 HydrophobicContact CB-CD1 4.1Å; N1102-I1118 HydrophobicContact CB-CD1 3.77Å; I1118-D1120 PolarHBondContact O-N 3.41Å; I1118-Q1121 HydrophobicContact CB-CB 4.44Å; I1118-Q1121 HydrophobicContact CG2-CB 3.96Å; I1118-Q1121 HydrophobicContact CG2-CG 3.84Å; I1118-Q1121 PolarHBondContact O-N 3.44Å; I1118-Q1122 PolarHBondContact O-N 2.81Å; I1118-L1123 CarbonylContact C-O 3.49Å; I1118-L1123 HydrophobicContact CB-CB 4.32Å; I1118-L1123 HydrophobicContact CD1-CD1 4.46Å; I1118-L1123 PolarHBondContact N-O 2.87Å; I1118-L1123 PolarHBondContact O-N 2.83Å; I1118-V1127 HydrophobicContact CD1-CG2 3.69Å; I1118-V1127 HydrophobicContact CG1-CG2 3.82Å; I1118-V1129 HydrophobicContact CD1-CG1 3.88Å; I1118-L1137 HydrophobicContact CD1-CD1 4.33Å; I1118-L1137 HydrophobicContact CG1-CD1 3.98Å; I1118-L1137 HydrophobicContact CG2-CD2 4.36Å
1119	P	72.8	Confident	85.5	Confident	51 Å²	51	67.4 Å²	67.4	33%	0.331	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-59.7	-33.4	-174.5	-23.8	35.5	0	0	0	113	P1117 Q1121 Q1122 Y1124	P1117-P1119 WeakPolarHBondContact O-CD 3.33Å; P1119-Q1121 VanDerWaalsContact C-N 3.25Å; P1119-Q1121 PolarHBondContact O-N 3.09Å; P1119-Q1122 VanDerWaalsContact O-CA 3.31Å; P1119-Q1122 WeakPolarHBondContact O-CA 3.39Å; P1119-Q1122 PolarHBondContact O-N 3.01Å; P1119-Y1124 HydrophobicContact CB-CD1 4.33Å; P1119-Y1124 HydrophobicContact CB-CE1 4.09Å
1120	D	71.4	Confident	85.6	Confident	130 Å²	130	61 Å²	61	70%	0.695	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-64.7	-31.6	-177.6	-32	-46.5	0	0	0	111.3	I1118 Q1122	I1118-D1120 PolarHBondContact O-N 3.41Å; D1120-Q1122 VanDerWaalsContact C-N 3.35Å
1121	Q	71.6	Confident	85.6	Confident	69 Å²	69	58.4 Å²	58.4	32%	0.322	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-95.4	13.5	172.3	-58.1	-170.8	14.3	0	0	112.5	T1073 R1101 N1102 I1118 P1119 L1123	T1073-Q1121 PolarHBondContact OG1-NE2 3.07Å; T1073-Q1121 VanDerWaalsContact OG1-NE2 3.1Å; T1073-Q1121 PolarHBondContact OG1-OE1 3.2Å; T1073-Q1121 VanDerWaalsContact OG1-OE1 3.1Å; R1101-Q1121 PolarHBondContact O-OE1 3.07Å; N1102-Q1121 PolarHBondContact O-NE2 2.87Å; N1102-Q1121 PolarHBondContact OD1-NE2 3.31Å; I1118-Q1121 HydrophobicContact CB-CB 4.44Å; I1118-Q1121 HydrophobicContact CG2-CB 3.96Å; I1118-Q1121 HydrophobicContact CG2-CG 3.84Å; I1118-Q1121 PolarHBondContact O-N 3.44Å; P1119-Q1121 VanDerWaalsContact C-N 3.25Å; P1119-Q1121 PolarHBondContact O-N 3.09Å; Q1121-L1123 HydrophobicContact CB-CD1 4.45Å; Q1121-L1123 HydrophobicContact CB-CG 4.49Å; Q1121-L1123 PolarHBondContact O-N 2.96Å
1122	Q	72.1	Confident	85.6	Confident	107 Å²	107	62.1 Å²	62.1	50%	0.5	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	25.8	-177.3	-57.5	-179.5	51.5	0	0	114.3	I1118 P1119 D1120 Y1124	I1118-Q1122 PolarHBondContact O-N 2.81Å; P1119-Q1122 VanDerWaalsContact O-CA 3.31Å; P1119-Q1122 WeakPolarHBondContact O-CA 3.39Å; P1119-Q1122 PolarHBondContact O-N 3.01Å; D1120-Q1122 VanDerWaalsContact C-N 3.35Å; Q1122-Y1124 HydrophobicContact CB-CE2 4.05Å; Q1122-Y1124 WeakPolarHBondContact O-CD2 3.48Å
1123	L	78.4	Confident	85.4	Confident	59 Å²	59	62.9 Å²	62.9	31%	0.309	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	79.2	177.5	-61.9	176.2	0	0	0	109.9	R1101 P1117 I1118 Q1121 D1125 V1127	R1101-L1123 HydrophobicContact CB-CD1 3.99Å; R1101-L1123 HydrophobicContact CG-CD1 4.13Å; P1117-L1123 CarbonylContact C-O 3.56Å; P1117-L1123 WeakPolarHBondContact CA-O 3.45Å; I1118-L1123 CarbonylContact C-O 3.49Å; I1118-L1123 HydrophobicContact CB-CB 4.32Å; I1118-L1123 HydrophobicContact CD1-CD1 4.46Å; I1118-L1123 PolarHBondContact N-O 2.87Å; I1118-L1123 PolarHBondContact O-N 2.83Å; Q1121-L1123 HydrophobicContact CB-CD1 4.45Å; Q1121-L1123 HydrophobicContact CB-CG 4.49Å; Q1121-L1123 PolarHBondContact O-N 2.96Å; L1123-D1125 VanDerWaalsContact C-N 3.34Å; L1123-D1125 PolarHBondContact O-N 2.81Å; L1123-V1127 HydrophobicContact CB-CG1 4.14Å; L1123-V1127 HydrophobicContact CB-CG2 3.99Å; L1123-V1127 HydrophobicContact CD1-CG1 4.29Å; L1123-V1127 HydrophobicContact CD1-CG2 3.95Å; L1123-V1127 HydrophobicContact CD2-CG1 4.48Å
1124	Y	76.3	Confident	85.5	Confident	149 Å²	149	59.7 Å²	59.7	58%	0.584	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	-20.5	-173.8	-56.7	-76.6	0	0	0	114.5	P1117 P1119 Q1122	P1117-Y1124 WeakPolarHBondContact CB-O 3.49Å; P1119-Y1124 HydrophobicContact CB-CD1 4.33Å; P1119-Y1124 HydrophobicContact CB-CE1 4.09Å; Q1122-Y1124 HydrophobicContact CB-CE2 4.05Å; Q1122-Y1124 WeakPolarHBondContact O-CD2 3.48Å
1125	D	84.8	Confident	85.4	Confident	128 Å²	128	61.9 Å²	61.9	68%	0.684	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	155	172.3	-68.7	-55.1	0	0	0	112.1	P1117 L1123 V1127	P1117-D1125 WeakPolarHBondContact CA-O 3.44Å; L1123-D1125 VanDerWaalsContact C-N 3.34Å; L1123-D1125 PolarHBondContact O-N 2.81Å; D1125-V1127 PolarHBondContact O-N 3.26Å
1126	P	86.6	Confident	85.2	Confident	77 Å²	77	61 Å²	61	50%	0.5	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	97.3	177	-23.7	35.3	0	0	0	113.7	K1115	K1115-P1126 HydrophobicContact CB-CB 3.87Å; K1115-P1126 WeakPolarHBondContact CD-O 3.26Å
1127	V	90.9	Very high	85.1	Confident	27 Å²	27	60.9 Å²	60.9	16%	0.164	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	151.7	179.7	-71.2	0	0	0	0	112.6	R1101 K1115 L1116 I1118 L1123 D1125 V1129	R1101-V1127 HydrophobicContact CB-CB 4.11Å; R1101-V1127 HydrophobicContact CB-CG2 3.89Å; R1101-V1127 HydrophobicContact CG-CB 3.98Å; R1101-V1127 HydrophobicContact CG-CG1 4.48Å; R1101-V1127 HydrophobicContact CG-CG2 4.28Å; K1115-V1127 VanDerWaalsContact CA-O 3.25Å; K1115-V1127 WeakPolarHBondContact CA-O 3.33Å; L1116-V1127 PolarHBondContact N-O 3.25Å; L1116-V1127 WeakPolarHBondContact O-CG2 3.35Å; L1116-V1127 PolarHBondContact O-N 3.12Å; I1118-V1127 HydrophobicContact CD1-CG2 3.69Å; I1118-V1127 HydrophobicContact CG1-CG2 3.82Å; L1123-V1127 HydrophobicContact CB-CG1 4.14Å; L1123-V1127 HydrophobicContact CB-CG2 3.99Å; L1123-V1127 HydrophobicContact CD1-CG1 4.29Å; L1123-V1127 HydrophobicContact CD1-CG2 3.95Å; L1123-V1127 HydrophobicContact CD2-CG1 4.48Å; D1125-V1127 PolarHBondContact O-N 3.26Å; V1127-V1129 PolarHBondContact O-N 2.85Å
1128	L	94.2	Very high	85.1	Confident	33 Å²	33	62.4 Å²	62.4	17%	0.173	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	126.9	-176.4	-161.9	76.7	0	0	0	111.7	H1098 R1101 C1112 L1114 K1115	H1098-L1128 HydrophobicContact CB-CD2 4.1Å; R1101-L1128 WeakPolarHBondContact CD-O 3.31Å; R1101-L1128 PolarHBondContact N-O 3.33Å; C1112-L1128 WeakPolarHBondContact O-CD2 3.19Å; L1114-L1128 WeakPolarHBondContact O-CA 3.33Å; K1115-L1128 HydrophobicContact CG-CD1 4.2Å
1129	V	93.5	Very high	85.1	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.3	-179.5	-74.8	0	0	0	0	111.2	N1102 L1114 L1116 I1118 V1127 C1133 H1134 L1137	N1102-V1129 HydrophobicContact CB-CG1 4.11Å; L1114-V1129 HydrophobicContact CB-CG2 4.5Å; L1114-V1129 PolarHBondContact O-N 2.85Å; L1116-V1129 HydrophobicContact CB-CG2 4.35Å; I1118-V1129 HydrophobicContact CD1-CG1 3.88Å; V1127-V1129 PolarHBondContact O-N 2.85Å; V1129-C1133 HydrophobicContact CB-CB 4.49Å; V1129-H1134 HydrophobicContact CG2-CB 3.82Å; V1129-L1137 HydrophobicContact CG1-CD1 4.47Å
1130	C	95.2	Very high	85.4	Confident	4 Å²	4	67.9 Å²	67.9	3%	0.027	35%	0.352	C	S	.	.			trans	-72.6	153.5	169.6	68.8	0	0	0	0	110.6	C1100 F1107 C1111 C1112 T1132 C1133 H1134	C1100-C1130 HydrophobicContact CB-CB 3.91Å; C1100-C1130 PolarHBondContact SG-N 2.9Å; C1100-C1130 VanDerWaalsContact SG-SG 3.65Å; F1107-C1130 HydrophobicContact CD1-CB 3.99Å; F1107-C1130 HydrophobicContact CD2-CB 3.75Å; F1107-C1130 HydrophobicContact CE1-CB 3.8Å; F1107-C1130 HydrophobicContact CE2-CB 3.56Å; F1107-C1130 HydrophobicContact CG-CB 3.97Å; F1107-C1130 HydrophobicContact CZ-CB 3.6Å; F1107-C1130 VanDerWaalsContact CZ-SG 3.57Å; C1111-C1130 WeakPolarHBondContact O-CA 3.14Å; C1111-C1130 VanDerWaalsContact O-CB 3.3Å; C1111-C1130 WeakPolarHBondContact O-CB 3.19Å; C1112-C1130 HydrophobicContact CB-CB 4.26Å; C1130-T1132 VanDerWaalsContact C-N 3.25Å; C1130-T1132 PolarHBondContact O-N 3.21Å; C1130-C1133 PolarHBondContact O-N 3.12Å; C1130-H1134 PolarHBondContact O-N 3.3Å
1131	N	92.4	Very high	85.9	Confident	44 Å²	44	65.3 Å²	65.3	24%	0.235	33%	0.332	C	S	.	.	H	α-helix	trans	-56	-40.9	-171.1	-52	-8.5	0	0	0	111.6	D1110 C1111 L1114 C1133 H1134 D1135	D1110-N1131 PolarHBondContact O-ND2 2.67Å; D1110-N1131 VanDerWaalsContact O-ND2 3.09Å; C1111-N1131 PolarHBondContact O-N 2.83Å; C1111-N1131 VanDerWaalsContact O-N 3.14Å; C1111-N1131 PolarHBondContact O-OD1 3.31Å; L1114-N1131 HydrophobicContact CD1-CB 4.43Å; N1131-C1133 PolarHBondContact O-N 2.77Å; N1131-H1134 WeakPolarHBondContact O-CB 3.33Å; N1131-H1134 PolarHBondContact O-N 2.69Å; N1131-D1135 VanDerWaalsContact O-CG 3.32Å; N1131-D1135 PolarHBondContact O-N 2.98Å; N1131-D1135 VanDerWaalsContact O-N 3.09Å
1132	T	91.3	Very high	86.2	Confident	90 Å²	90	64.7 Å²	64.7	55%	0.552	33%	0.333	S	S	*	.	H	α-helix	trans	-62.3	-38.7	176.7	-35.3	0	0	0	0	113.8	C1130 H1136	C1130-T1132 VanDerWaalsContact C-N 3.25Å; C1130-T1132 PolarHBondContact O-N 3.21Å; T1132-H1136 PolarHBondContact O-N 2.82Å
1133	C	91.4	Very high	86.5	Confident	17 Å²	17	67.1 Å²	67.1	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-76	-35.8	176.2	-72.8	0	0	0	0	111.8	N1102 C1103 V1129 C1130 N1131 D1135 L1137	N1102-C1133 HydrophobicContact CB-CB 3.84Å; N1102-C1133 PolarHBondContact ND2-SG 3.28Å; C1103-C1133 VanDerWaalsContact SG-SG 3.66Å; V1129-C1133 HydrophobicContact CB-CB 4.49Å; C1130-C1133 PolarHBondContact O-N 3.12Å; N1131-C1133 PolarHBondContact O-N 2.77Å; C1133-D1135 VanDerWaalsContact C-N 3.33Å; C1133-D1135 PolarHBondContact O-N 3.09Å; C1133-L1137 WeakPolarHBondContact O-CB 3.25Å; C1133-L1137 WeakPolarHBondContact O-CD1 3.18Å; C1133-L1137 VanDerWaalsContact O-CG 3.22Å; C1133-L1137 WeakPolarHBondContact O-CG 3.48Å; C1133-L1137 PolarHBondContact O-N 2.98Å
1134	H	93.1	Very high	86.3	Confident	32 Å²	32	69.5 Å²	69.5	15%	0.148	35%	0.347	C	S	.	.	H	α-helix	trans	-55.9	-49.4	175.5	171.9	-88	0	0	0	111.3	L1114 L1116 V1129 C1130 N1131 L1137 L1138	L1114-H1134 HydrophobicContact CB-CB 4.36Å; L1114-H1134 HydrophobicContact CD1-CB 4.07Å; L1116-H1134 HydrophobicContact CD1-CB 4.26Å; L1116-H1134 WeakPolarHBondContact CD1-CD2 3.44Å; L1116-H1134 WeakPolarHBondContact CD1-O 3.47Å; V1129-H1134 HydrophobicContact CG2-CB 3.82Å; C1130-H1134 PolarHBondContact O-N 3.3Å; N1131-H1134 WeakPolarHBondContact O-CB 3.33Å; N1131-H1134 PolarHBondContact O-N 2.69Å; H1134-L1137 PolarHBondContact O-N 2.62Å; H1134-L1138 WeakPolarHBondContact CE1-CD1 3.15Å; H1134-L1138 WeakPolarHBondContact O-CG 3.37Å; H1134-L1138 PolarHBondContact O-N 3.14Å; H1134-L1138 VanDerWaalsContact O-N 3.07Å
1135	D	88.3	Confident	86.2	Confident	95 Å²	95	66.1 Å²	66.1	51%	0.508	34%	0.338	S	S	.	.	H	α-helix	trans	-71.4	-39.7	-175.8	-61	-15.4	0	0	0	111.8	N1131 C1133 L1138 E1139	N1131-D1135 VanDerWaalsContact O-CG 3.32Å; N1131-D1135 PolarHBondContact O-N 2.98Å; N1131-D1135 VanDerWaalsContact O-N 3.09Å; C1133-D1135 VanDerWaalsContact C-N 3.33Å; C1133-D1135 PolarHBondContact O-N 3.09Å; D1135-L1138 PolarHBondContact O-N 2.96Å; D1135-E1139 PolarHBondContact O-N 2.93Å
1136	H	87.6	Confident	85.6	Confident	116 Å²	116	68.1 Å²	68.1	54%	0.537	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-41.6	174.5	-171.5	-54.7	0	0	0	112.3	T1132 E1139 S1140	T1132-H1136 PolarHBondContact O-N 2.82Å; H1136-E1139 PolarHBondContact O-N 3.07Å; H1136-S1140 PolarHBondContact O-N 3.38Å; H1136-S1140 PolarHBondContact O-OG 3.34Å
1137	L	85.9	Confident	84.8	Confident	18 Å²	18	67 Å²	67	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-66.6	-37.1	177.5	-73.1	168.7	0	0	0	112	N1102 L1116 I1118 V1129 C1133 H1134 R1141	N1102-L1137 HydrophobicContact CB-CD1 4.27Å; L1116-L1137 HydrophobicContact CD1-CB 4.35Å; I1118-L1137 HydrophobicContact CD1-CD1 4.33Å; I1118-L1137 HydrophobicContact CG1-CD1 3.98Å; I1118-L1137 HydrophobicContact CG2-CD2 4.36Å; V1129-L1137 HydrophobicContact CG1-CD1 4.47Å; C1133-L1137 WeakPolarHBondContact O-CB 3.25Å; C1133-L1137 WeakPolarHBondContact O-CD1 3.18Å; C1133-L1137 VanDerWaalsContact O-CG 3.22Å; C1133-L1137 WeakPolarHBondContact O-CG 3.48Å; C1133-L1137 PolarHBondContact O-N 2.98Å; H1134-L1137 PolarHBondContact O-N 2.62Å; L1137-R1141 WeakPolarHBondContact O-CB 3.43Å; L1137-R1141 PolarHBondContact O-N 3Å
1138	L	85.1	Confident	83.7	Confident	64 Å²	64	70.8 Å²	70.8	34%	0.335	35%	0.346	S	S	.	.	H	α-helix	trans	-66.5	-40.6	173.4	-76.5	172.4	0	0	0	112.4	L1116 H1134 D1135 T1142	L1116-L1138 HydrophobicContact CD1-CD1 4.34Å; L1116-L1138 HydrophobicContact CD1-CD2 4.26Å; L1116-L1138 HydrophobicContact CD1-CG 3.83Å; L1116-L1138 HydrophobicContact CD2-CD2 4.15Å; H1134-L1138 WeakPolarHBondContact CE1-CD1 3.15Å; H1134-L1138 WeakPolarHBondContact O-CG 3.37Å; H1134-L1138 PolarHBondContact O-N 3.14Å; H1134-L1138 VanDerWaalsContact O-N 3.07Å; D1135-L1138 PolarHBondContact O-N 2.96Å; L1138-T1142 VanDerWaalsContact O-CB 3.32Å; L1138-T1142 WeakPolarHBondContact O-CB 3.36Å; L1138-T1142 PolarHBondContact O-N 2.9Å; L1138-T1142 PolarHBondContact O-OG1 2.82Å
1139	E	84.3	Confident	82.5	Confident	114 Å²	114	75.2 Å²	75.2	53%	0.533	37%	0.366	S	S	.	.	H	α-helix	trans	-68.4	-44.1	178.4	-151.2	-158.3	133.8	0	0	111.5	D1135 H1136 R1141 T1142 R1143	D1135-E1139 PolarHBondContact O-N 2.93Å; H1136-E1139 PolarHBondContact O-N 3.07Å; E1139-R1141 PolarHBondContact O-N 2.87Å; E1139-T1142 PolarHBondContact O-N 3.12Å; E1139-R1143 WeakPolarHBondContact O-CB 3.36Å; E1139-R1143 PolarHBondContact O-N 3.28Å; E1139-R1143 IonicContact OE1-CZ 3.68Å; E1139-R1143 IonicContact OE1-NE 3.87Å; E1139-R1143 IonicContact OE1-NH2 3.88Å; E1139-R1143 PolarHBondContact OE1-NH2 2.89Å
1140	S	80	Confident	81.2	Confident	53 Å²	53	80.6 Å²	80.6	37%	0.371	40%	0.395	S	S	.	.	H	α-helix	trans	-54.2	-53.1	173	-71.1	0	0	0	0	111.4	H1136 T1142 R1143 E1144	H1136-S1140 PolarHBondContact O-N 3.38Å; H1136-S1140 PolarHBondContact O-OG 3.34Å; S1140-T1142 VanDerWaalsContact C-N 3.29Å; S1140-T1142 PolarHBondContact O-N 3.13Å; S1140-R1143 WeakPolarHBondContact O-CB 3.43Å; S1140-R1143 PolarHBondContact O-N 3.2Å; S1140-R1143 VanDerWaalsContact O-N 3.11Å; S1140-E1144 WeakPolarHBondContact O-CB 3.26Å; S1140-E1144 PolarHBondContact O-N 2.99Å
1141	R	80.3	Confident	79.6	Confident	75 Å²	75	86.8 Å²	86.8	28%	0.283	42%	0.421	S	S	.	.	H	α-helix	trans	-60.1	-37.4	178.4	-172.6	174.1	-65.1	160.1	6.8	112.4	P1117 L1137 E1139 I1145	P1117-R1141 PolarHBondContact O-NH2 3.2Å; L1137-R1141 WeakPolarHBondContact O-CB 3.43Å; L1137-R1141 PolarHBondContact O-N 3Å; E1139-R1141 PolarHBondContact O-N 2.87Å; R1141-I1145 HydrophobicContact CG-CD1 4.04Å; R1141-I1145 WeakPolarHBondContact O-CB 3.34Å; R1141-I1145 WeakPolarHBondContact O-CD1 3.26Å; R1141-I1145 VanDerWaalsContact O-CG1 3.24Å; R1141-I1145 WeakPolarHBondContact O-CG1 3.1Å; R1141-I1145 PolarHBondContact O-N 2.64Å
1142	T	78.1	Confident	78.1	Confident	56 Å²	56	92.3 Å²	92.3	34%	0.344	44%	0.443	S	S	.	.	H	α-helix	trans	-69.1	-37.5	176.8	-58.3	0	0	0	0	112.1	L1138 E1139 S1140 R1146	L1138-T1142 VanDerWaalsContact O-CB 3.32Å; L1138-T1142 WeakPolarHBondContact O-CB 3.36Å; L1138-T1142 PolarHBondContact O-N 2.9Å; L1138-T1142 PolarHBondContact O-OG1 2.82Å; E1139-T1142 PolarHBondContact O-N 3.12Å; S1140-T1142 VanDerWaalsContact C-N 3.29Å; S1140-T1142 PolarHBondContact O-N 3.13Å; T1142-R1146 WeakPolarHBondContact O-CG 3.01Å; T1142-R1146 PolarHBondContact O-N 3.37Å
1143	R	78.5	Confident	76.3	Confident	159 Å²	159	90.8 Å²	90.8	60%	0.6	44%	0.439	S	S	*	.	H	α-helix	trans	-68.8	-41.4	176.2	-165.3	-179	-63.3	179.2	0.7	111.1	E1139 S1140 R1146 S1147	E1139-R1143 WeakPolarHBondContact O-CB 3.36Å; E1139-R1143 PolarHBondContact O-N 3.28Å; E1139-R1143 IonicContact OE1-CZ 3.68Å; E1139-R1143 IonicContact OE1-NE 3.87Å; E1139-R1143 IonicContact OE1-NH2 3.88Å; E1139-R1143 PolarHBondContact OE1-NH2 2.89Å; S1140-R1143 WeakPolarHBondContact O-CB 3.43Å; S1140-R1143 PolarHBondContact O-N 3.2Å; S1140-R1143 VanDerWaalsContact O-N 3.11Å; R1143-R1146 PolarHBondContact O-N 2.58Å; R1143-S1147 PolarHBondContact O-N 3Å
1144	E	74.3	Confident	74.7	Confident	109 Å²	109	95.1 Å²	95.1	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-64	-49.4	176.2	-161.7	-156.6	163.6	0	0	111.9	S1140 R1146 S1147 Q1148	S1140-E1144 WeakPolarHBondContact O-CB 3.26Å; S1140-E1144 PolarHBondContact O-N 2.99Å; E1144-R1146 PolarHBondContact O-N 3.27Å; E1144-S1147 CarbonylContact O-C 3.56Å; E1144-S1147 WeakPolarHBondContact O-CA 3.31Å; E1144-S1147 WeakPolarHBondContact O-CB 3.36Å; E1144-S1147 PolarHBondContact O-N 3.36Å; E1144-Q1148 WeakPolarHBondContact O-CG 3.4Å; E1144-Q1148 PolarHBondContact O-N 2.93Å; E1144-Q1148 PolarHBondContact OE1-NE2 3.44Å
1145	I	74.8	Confident	72.7	Confident	77 Å²	77	96.6 Å²	96.6	40%	0.395	48%	0.478	S	S	.	.	H	α-helix	trans	-57.1	-39	176.8	-71.4	166	0	0	0	111.2	R1141 Q1149	R1141-I1145 HydrophobicContact CG-CD1 4.04Å; R1141-I1145 WeakPolarHBondContact O-CB 3.34Å; R1141-I1145 WeakPolarHBondContact O-CD1 3.26Å; R1141-I1145 VanDerWaalsContact O-CG1 3.24Å; R1141-I1145 WeakPolarHBondContact O-CG1 3.1Å; R1141-I1145 PolarHBondContact O-N 2.64Å; I1145-Q1149 WeakPolarHBondContact O-CB 3.32Å; I1145-Q1149 VanDerWaalsContact O-CG 3.23Å; I1145-Q1149 WeakPolarHBondContact O-CG 3.35Å; I1145-Q1149 PolarHBondContact O-N 3.42Å
1146	R	71.9	Confident	71	Confident	170 Å²	170	96.6 Å²	96.6	64%	0.642	48%	0.482	S	S	*	.	H	α-helix	trans	-66.8	-40.3	174.2	-73.2	171.7	-179.3	155.7	2.6	112.4	T1142 R1143 E1144 Q1149 L1150	T1142-R1146 WeakPolarHBondContact O-CG 3.01Å; T1142-R1146 PolarHBondContact O-N 3.37Å; R1143-R1146 PolarHBondContact O-N 2.58Å; E1144-R1146 PolarHBondContact O-N 3.27Å; R1146-Q1149 PolarHBondContact O-N 3.21Å; R1146-L1150 WeakPolarHBondContact O-CB 3.46Å; R1146-L1150 PolarHBondContact O-N 2.96Å
1147	S	70.4	Confident	69.1	Low	54 Å²	54	95.3 Å²	95.3	38%	0.378	49%	0.491	S	S	.	.	H	α-helix	trans	-61.8	-47	174.2	-175.6	0	0	0	0	111.5	R1143 E1144 Q1149 L1150 K1151	R1143-S1147 PolarHBondContact O-N 3Å; E1144-S1147 CarbonylContact O-C 3.56Å; E1144-S1147 WeakPolarHBondContact O-CA 3.31Å; E1144-S1147 WeakPolarHBondContact O-CB 3.36Å; E1144-S1147 PolarHBondContact O-N 3.36Å; S1147-Q1149 PolarHBondContact O-N 2.85Å; S1147-L1150 PolarHBondContact O-N 3.33Å; S1147-K1151 WeakPolarHBondContact O-CG 3.44Å; S1147-K1151 PolarHBondContact O-N 3.45Å
1148	Q	67.6	Low	67.3	Low	106 Å²	106	99.5 Å²	99.5	50%	0.495	52%	0.522	S	S	.	.	H	α-helix	trans	-61.9	-42	175.6	-65.7	-178.5	12.5	0	0	111.9	E1144 K1151 K1152	E1144-Q1148 WeakPolarHBondContact O-CG 3.4Å; E1144-Q1148 PolarHBondContact O-N 2.93Å; E1144-Q1148 PolarHBondContact OE1-NE2 3.44Å; Q1148-K1151 PolarHBondContact O-N 3.41Å; Q1148-K1152 WeakPolarHBondContact O-CB 3.32Å; Q1148-K1152 PolarHBondContact O-N 3.31Å
1149	Q	69.1	Low	65.1	Low	127 Å²	127	103.5 Å²	103.5	59%	0.593	56%	0.555	S	S	*	*	H	α-helix	trans	-62.6	-40.8	174.5	-76.4	172.3	0.6	0	0	112.4	I1145 R1146 S1147 K1152 A1153	I1145-Q1149 WeakPolarHBondContact O-CB 3.32Å; I1145-Q1149 VanDerWaalsContact O-CG 3.23Å; I1145-Q1149 WeakPolarHBondContact O-CG 3.35Å; I1145-Q1149 PolarHBondContact O-N 3.42Å; R1146-Q1149 PolarHBondContact O-N 3.21Å; S1147-Q1149 PolarHBondContact O-N 2.85Å; Q1149-K1152 PolarHBondContact O-N 2.9Å; Q1149-A1153 WeakPolarHBondContact O-CB 3.41Å; Q1149-A1153 PolarHBondContact O-N 2.9Å
1150	L	65.7	Low	64.2	Low	113 Å²	113	103 Å²	103	59%	0.592	56%	0.556	S	S	*	*	H	α-helix	trans	-67.3	-46.1	177.1	-171.9	66.3	0	0	0	111.7	R1146 S1147 K1152 A1153 I1154	R1146-L1150 WeakPolarHBondContact O-CB 3.46Å; R1146-L1150 PolarHBondContact O-N 2.96Å; S1147-L1150 PolarHBondContact O-N 3.33Å; L1150-K1152 VanDerWaalsContact C-N 3.26Å; L1150-K1152 PolarHBondContact O-N 3.4Å; L1150-A1153 PolarHBondContact O-N 3.49Å; L1150-I1154 HydrophobicContact CG-CD1 4.21Å; L1150-I1154 WeakPolarHBondContact O-CG1 3.25Å; L1150-I1154 PolarHBondContact O-N 2.74Å
1151	K	62.8	Low	63.3	Low	133 Å²	133	105.6 Å²	105.6	58%	0.578	57%	0.566	S	S	*	*	H	α-helix	trans	-56.6	-40.2	173.2	-71.6	-178.7	-179.8	-171.2	0	111.2	S1147 Q1148 I1154 A1155	S1147-K1151 WeakPolarHBondContact O-CG 3.44Å; S1147-K1151 PolarHBondContact O-N 3.45Å; Q1148-K1151 PolarHBondContact O-N 3.41Å; K1151-I1154 PolarHBondContact O-N 3.16Å; K1151-A1155 WeakPolarHBondContact O-CB 3.42Å; K1151-A1155 PolarHBondContact O-N 2.7Å
1152	K	59.9	Low	62.4	Low	160 Å²	160	107.3 Å²	107.3	70%	0.696	58%	0.582	S	S	*	*	H	α-helix	trans	-70.4	-36.6	177.4	-149.8	166.6	-166.2	168.8	0	113.1	Q1148 Q1149 L1150 A1155 T1156	Q1148-K1152 WeakPolarHBondContact O-CB 3.32Å; Q1148-K1152 PolarHBondContact O-N 3.31Å; Q1149-K1152 PolarHBondContact O-N 2.9Å; L1150-K1152 VanDerWaalsContact C-N 3.26Å; L1150-K1152 PolarHBondContact O-N 3.4Å; K1152-A1155 PolarHBondContact O-N 3.19Å; K1152-T1156 WeakPolarHBondContact O-CB 3.45Å; K1152-T1156 PolarHBondContact O-N 2.61Å; K1152-T1156 PolarHBondContact O-OG1 3.35Å
1153	A	53.7	Low	61.5	Low	58 Å²	58	110.3 Å²	110.3	48%	0.479	60%	0.596	S	S	.	*	H	α-helix	trans	-65.2	-42.3	173.8	0	0	0	0	0	111.8	Q1149 L1150 T1156 A1157	Q1149-A1153 WeakPolarHBondContact O-CB 3.41Å; Q1149-A1153 PolarHBondContact O-N 2.9Å; L1150-A1153 PolarHBondContact O-N 3.49Å; A1153-T1156 PolarHBondContact O-N 3.35Å; A1153-A1157 WeakPolarHBondContact O-CB 3.17Å; A1153-A1157 PolarHBondContact O-N 3.46Å
1154	I	57.8	Low	60.4	Low	108 Å²	108	107.3 Å²	107.3	55%	0.554	60%	0.595	S	S	*	*	H	α-helix	trans	-62.3	-47.2	175.1	-66.9	163.6	0	0	0	110.6	L1150 K1151 T1156 A1157 S1158	L1150-I1154 HydrophobicContact CG-CD1 4.21Å; L1150-I1154 WeakPolarHBondContact O-CG1 3.25Å; L1150-I1154 PolarHBondContact O-N 2.74Å; K1151-I1154 PolarHBondContact O-N 3.16Å; I1154-T1156 VanDerWaalsContact C-N 3.27Å; I1154-T1156 PolarHBondContact O-N 3.29Å; I1154-A1157 PolarHBondContact O-N 3.22Å; I1154-A1157 VanDerWaalsContact O-N 3.09Å; I1154-S1158 PolarHBondContact O-N 2.72Å; I1154-S1158 VanDerWaalsContact O-N 3.16Å
1155	A	50.8	Low	59.5	Low	63 Å²	63	107.1 Å²	107.1	52%	0.521	60%	0.601	S	S	.	*	H	α-helix	trans	-60.4	-34.3	176.5	0	0	0	0	0	113.2	K1151 K1152	K1151-A1155 WeakPolarHBondContact O-CB 3.42Å; K1151-A1155 PolarHBondContact O-N 2.7Å; K1152-A1155 PolarHBondContact O-N 3.19Å
1156	T	53.5	Low	58.4	Low	96 Å²	96	109.3 Å²	109.3	59%	0.589	62%	0.616	S	S	*	*	H	α-helix	trans	-81.1	-14.4	177.8	-44.7	0	0	0	0	112.9	K1152 A1153 I1154 S1159	K1152-T1156 WeakPolarHBondContact O-CB 3.45Å; K1152-T1156 PolarHBondContact O-N 2.61Å; K1152-T1156 PolarHBondContact O-OG1 3.35Å; A1153-T1156 PolarHBondContact O-N 3.35Å; I1154-T1156 VanDerWaalsContact C-N 3.27Å; I1154-T1156 PolarHBondContact O-N 3.29Å; T1156-S1159 PolarHBondContact O-OG 3.16Å
1157	A	47.3	Very low	57.4	Low	89 Å²	89	104.6 Å²	104.6	74%	0.736	61%	0.614	S	S	*	*	H	α-helix	trans	-94.8	-5.8	173.7	0	0	0	0	0	112.9	A1153 I1154	A1153-A1157 WeakPolarHBondContact O-CB 3.17Å; A1153-A1157 PolarHBondContact O-N 3.46Å; I1154-A1157 PolarHBondContact O-N 3.22Å; I1154-A1157 VanDerWaalsContact O-N 3.09Å
1158	S	46.6	Very low	56.3	Low	106 Å²	106	108.8 Å²	108.8	74%	0.741	63%	0.633	S	S	*	*			trans	-110.1	19.8	178.6	-169.4	0	0	0	0	112.5	I1154	I1154-S1158 PolarHBondContact O-N 2.72Å; I1154-S1158 VanDerWaalsContact O-N 3.16Å
1159	S	40.3	Very low	55.2	Low	147 Å²	147	109.1 Å²	109.1	100%	1.028	65%	0.646	S	S	*	*			trans	-133.3	0	178.6	67.1	0	0	0	0	111.2	T1156	T1156-S1159 PolarHBondContact O-OG 3.16Å

Retrieved 1,159 of 1,159 residues in 2467.3 ms (Link to these results)

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